USER MOD reduce.3.24.130724 H: found=0, std=0, add=1752, rem=0, adj=59 USER MOD reduce.3.24.130724 removed 1754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 16 HIS : no HE2:sc= 1.86 K(o=4.2,f=-17!) USER MOD Set 1.2: B 92 SER OG : rot -60:sc= 1.45 USER MOD Set 1.3: B 108 CYS SG : rot 113:sc= 0.933 USER MOD Set 2.1: B 73 SER OG : rot -80:sc= 1.08 USER MOD Set 2.2: B 91 SER OG : rot 180:sc= 0.942 USER MOD Set 3.1: B 90 THR OG1 : rot 129:sc= 1.1 USER MOD Set 3.2: B 110 ASN : amide:sc= -0.134 K(o=0.97,f=-1) USER MOD Set 4.1: A 90 THR OG1 : rot -81:sc= 1.14 USER MOD Set 4.2: A 110 ASN : amide:sc= 1.05 K(o=2.2,f=-0.14) USER MOD Set 5.1: A 35 TYR OH : rot 110:sc= 0.79 USER MOD Set 5.2: A 83 GLN : amide:sc= -0.057 X(o=0.73,f=0.73) USER MOD Set 6.1: A 70 GLN : amide:sc= -0.201 K(o=-0.2,f=-2.8!) USER MOD Set 6.2: B 27 HIS : no HD1:sc= 0 X(o=-0.2,f=-0.2) USER MOD Set 7.1: A 16 HIS : no HE2:sc= 1.15 K(o=0.5,f=-20!) USER MOD Set 7.2: A 92 SER OG : rot -141:sc= 0.235 USER MOD Set 7.3: A 108 CYS SG : rot 119:sc= -0.892! USER MOD Set 8.1: A 8 GLN : amide:sc= 0.846 K(o=1.3,f=-2.1) USER MOD Set 8.2: A 27 HIS : no HD1:sc= -0.609 K(o=1.3,f=-2!) USER MOD Set 8.3: B 70 GLN : amide:sc= 1.07 K(o=1.3,f=-7.9!) USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 14 SER OG : rot -76:sc= 0.709 USER MOD Single : A 17 ASN : amide:sc= 1.67 K(o=1.7,f=-8.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot 99:sc= 1.15 USER MOD Single : A 32 THR OG1 : rot 70:sc= 1.24 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.119 F(o=-0.75,f=-0.12) USER MOD Single : A 38 GLN : amide:sc= 1.04 K(o=1,f=-5.9!) USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= 1.19 (180deg=-0.158!) USER MOD Single : A 44 ASN : amide:sc= 0.341 X(o=0.34,f=0.041) USER MOD Single : A 49 CYS SG : rot 79:sc= 0.19 USER MOD Single : A 50 HIS : no HE2:sc= -0.15 K(o=-0.15,f=-5.5!) USER MOD Single : A 54 GLN : amide:sc= -1.85! C(o=-1.8!,f=-4.2!) USER MOD Single : A 55 GLN : amide:sc= -0.157 K(o=-0.16,f=-0.69) USER MOD Single : A 60 SER OG : rot 92:sc= 1.31 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.125 F(o=-0.8,f=-0.12) USER MOD Single : A 63 GLN : amide:sc= 1.11 K(o=1.1,f=-1.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 144:sc= 1.43 (180deg=1.21) USER MOD Single : A 73 SER OG : rot 180:sc= 0.117 USER MOD Single : A 75 MET CE :methyl -174:sc= -0.0122 (180deg=-0.08) USER MOD Single : A 80 SER OG : rot 165:sc= 0.0194 USER MOD Single : A 81 LYS NZ :NH3+ 171:sc= 1.3 (180deg=1.16) USER MOD Single : A 82 ASN : amide:sc= 0.763 K(o=0.76,f=-0.25) USER MOD Single : A 88 MET CE :methyl -125:sc= -0.532 (180deg=-1.32) USER MOD Single : A 91 SER OG : rot 61:sc= 0.823 USER MOD Single : A 94 THR OG1 : rot -142:sc= 0.374 USER MOD Single : A 96 GLN : amide:sc= 0.974 K(o=0.97,f=-0.12) USER MOD Single : A 97 ASN : amide:sc= 0.804 K(o=0.8,f=-5.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -1.25 USER MOD Single : A 105 TYR OH : rot -90:sc= 0.824 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00214 USER MOD Single : A 111 THR OG1 : rot -99:sc= 1.14 USER MOD Single : A 112 ASN : amide:sc= 0.604 K(o=0.6,f=-2!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 CYS SG : rot 180:sc= 0 USER MOD Single : B 8 GLN : amide:sc= 0.759 K(o=0.76,f=-8.3!) USER MOD Single : B 10 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : B 14 SER OG : rot -82:sc= 0.872 USER MOD Single : B 17 ASN : amide:sc= -0.273 K(o=-0.27,f=-7!) USER MOD Single : B 23 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 CYS SG : rot 93:sc= 0.772 USER MOD Single : B 32 THR OG1 : rot 69:sc= 1.3 USER MOD Single : B 35 TYR OH : rot -88:sc= 0.198 USER MOD Single : B 36 GLN :FLIP amide:sc= -0.0865 F(o=-1.1!,f=-0.086) USER MOD Single : B 38 GLN : amide:sc= 0.97 K(o=0.97,f=-6.1!) USER MOD Single : B 43 LYS NZ :NH3+ -137:sc= -0.0344 (180deg=-0.778!) USER MOD Single : B 44 ASN : amide:sc= 0.116 X(o=0.12,f=0.077) USER MOD Single : B 49 CYS SG : rot 73:sc= -0.509 USER MOD Single : B 50 HIS : no HE2:sc= -1.27! C(o=-1.3!,f=-3!) USER MOD Single : B 54 GLN : amide:sc= 0.929 K(o=0.93,f=-0.57) USER MOD Single : B 55 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.64) USER MOD Single : B 60 SER OG : rot 80:sc= 1.31 USER MOD Single : B 62 GLN :FLIP amide:sc= -0.106 F(o=-1.2,f=-0.11) USER MOD Single : B 63 GLN : amide:sc= 0.937 K(o=0.94,f=-1.7!) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 68 LYS NZ :NH3+ 147:sc= 1.37 (180deg=1.03) USER MOD Single : B 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 80 SER OG : rot 174:sc= 0.258 USER MOD Single : B 81 LYS NZ :NH3+ -149:sc= 1.29 (180deg=1.17) USER MOD Single : B 82 ASN : amide:sc= 1.12 K(o=1.1,f=-0.31) USER MOD Single : B 83 GLN : amide:sc= 0.956 K(o=0.96,f=-7.2!) USER MOD Single : B 88 MET CE :methyl -109:sc= -0.317 (180deg=-2.02) USER MOD Single : B 94 THR OG1 : rot -144:sc= 1.46 USER MOD Single : B 96 GLN : amide:sc= 0.521 K(o=0.52,f=-0.94) USER MOD Single : B 97 ASN : amide:sc= -3.09! C(o=-3.1!,f=-4.6!) USER MOD Single : B 99 TYR OH : rot 180:sc= 0 USER MOD Single : B 100 SER OG : rot 180:sc= 0 USER MOD Single : B 105 TYR OH : rot 180:sc= 0.801 USER MOD Single : B 109 THR OG1 : rot 79:sc= 0.697 USER MOD Single : B 111 THR OG1 : rot 75:sc= 0.844 USER MOD Single : B 112 ASN : amide:sc= 0.0943 X(o=0.094,f=-0.033) USER MOD Single : B 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 7 4.979 -2.714 -14.972 1.00 15.60 N ATOM 2 CA CYS A 7 3.934 -3.620 -14.457 1.00 14.69 C ATOM 3 C CYS A 7 3.146 -2.932 -13.357 1.00 14.16 C ATOM 4 O CYS A 7 3.696 -2.143 -12.587 1.00 14.28 O ATOM 5 CB CYS A 7 4.563 -4.909 -13.921 1.00 14.54 C ATOM 6 SG CYS A 7 5.278 -5.970 -15.199 1.00 15.21 S ATOM 0 HA CYS A 7 3.259 -3.874 -15.274 1.00 14.69 H new ATOM 0 HB2 CYS A 7 5.341 -4.649 -13.203 1.00 14.54 H new ATOM 0 HB3 CYS A 7 3.804 -5.473 -13.379 1.00 14.54 H new ATOM 0 HG CYS A 7 5.786 -7.032 -14.647 1.00 15.21 H new ATOM 12 N GLN A 8 1.856 -3.221 -13.294 1.00 13.72 N ATOM 13 CA GLN A 8 0.989 -2.635 -12.286 1.00 13.30 C ATOM 14 C GLN A 8 0.592 -3.702 -11.270 1.00 12.74 C ATOM 15 O GLN A 8 -0.164 -4.624 -11.587 1.00 12.41 O ATOM 16 CB GLN A 8 -0.255 -2.022 -12.938 1.00 13.55 C ATOM 17 CG GLN A 8 0.063 -1.026 -14.045 1.00 14.28 C ATOM 18 CD GLN A 8 0.709 0.249 -13.531 1.00 14.71 C ATOM 19 OE1 GLN A 8 0.410 0.713 -12.431 1.00 14.83 O ATOM 20 NE2 GLN A 8 1.606 0.818 -14.322 1.00 15.08 N ATOM 0 H GLN A 8 1.385 -3.861 -13.933 1.00 13.72 H new ATOM 0 HA GLN A 8 1.528 -1.839 -11.772 1.00 13.30 H new ATOM 0 HB2 GLN A 8 -0.872 -2.822 -13.347 1.00 13.55 H new ATOM 0 HB3 GLN A 8 -0.848 -1.523 -12.171 1.00 13.55 H new ATOM 0 HG2 GLN A 8 0.728 -1.497 -14.769 1.00 14.28 H new ATOM 0 HG3 GLN A 8 -0.856 -0.773 -14.573 1.00 14.28 H new ATOM 0 HE21 GLN A 8 1.825 0.401 -15.227 1.00 15.08 H new ATOM 0 HE22 GLN A 8 2.077 1.673 -14.026 1.00 15.08 H new ATOM 29 N PRO A 9 1.127 -3.605 -10.043 1.00 12.79 N ATOM 30 CA PRO A 9 0.840 -4.561 -8.965 1.00 12.47 C ATOM 31 C PRO A 9 -0.640 -4.591 -8.596 1.00 11.53 C ATOM 32 O PRO A 9 -1.344 -3.586 -8.719 1.00 11.34 O ATOM 33 CB PRO A 9 1.673 -4.044 -7.784 1.00 12.83 C ATOM 34 CG PRO A 9 2.707 -3.164 -8.396 1.00 13.43 C ATOM 35 CD PRO A 9 2.063 -2.558 -9.609 1.00 13.37 C ATOM 0 HA PRO A 9 1.085 -5.582 -9.258 1.00 12.47 H new ATOM 0 HB2 PRO A 9 1.054 -3.492 -7.076 1.00 12.83 H new ATOM 0 HB3 PRO A 9 2.130 -4.866 -7.234 1.00 12.83 H new ATOM 0 HG2 PRO A 9 3.027 -2.392 -7.696 1.00 13.43 H new ATOM 0 HG3 PRO A 9 3.595 -3.735 -8.669 1.00 13.43 H new ATOM 0 HD2 PRO A 9 1.546 -1.628 -9.370 1.00 13.37 H new ATOM 0 HD3 PRO A 9 2.796 -2.326 -10.382 1.00 13.37 H new ATOM 43 N THR A 10 -1.103 -5.741 -8.127 1.00 11.09 N ATOM 44 CA THR A 10 -2.493 -5.910 -7.740 1.00 10.34 C ATOM 45 C THR A 10 -2.727 -5.397 -6.321 1.00 9.71 C ATOM 46 O THR A 10 -3.278 -6.098 -5.470 1.00 9.71 O ATOM 47 CB THR A 10 -2.905 -7.387 -7.836 1.00 10.40 C ATOM 48 OG1 THR A 10 -1.744 -8.204 -8.065 1.00 11.09 O ATOM 49 CG2 THR A 10 -3.905 -7.594 -8.961 1.00 10.67 C ATOM 0 H THR A 10 -0.530 -6.576 -8.005 1.00 11.09 H new ATOM 0 HA THR A 10 -3.106 -5.327 -8.427 1.00 10.34 H new ATOM 0 HB THR A 10 -3.374 -7.676 -6.895 1.00 10.40 H new ATOM 0 HG1 THR A 10 -2.012 -9.145 -8.124 1.00 11.09 H new ATOM 0 HG21 THR A 10 -4.183 -8.647 -9.011 1.00 10.67 H new ATOM 0 HG22 THR A 10 -4.794 -6.992 -8.773 1.00 10.67 H new ATOM 0 HG23 THR A 10 -3.456 -7.292 -9.907 1.00 10.67 H new ATOM 57 N GLU A 11 -2.290 -4.170 -6.085 1.00 9.37 N ATOM 58 CA GLU A 11 -2.428 -3.517 -4.797 1.00 9.01 C ATOM 59 C GLU A 11 -2.451 -2.012 -5.016 1.00 8.63 C ATOM 60 O GLU A 11 -1.477 -1.437 -5.503 1.00 9.08 O ATOM 61 CB GLU A 11 -1.276 -3.914 -3.870 1.00 9.39 C ATOM 62 CG GLU A 11 -1.307 -3.216 -2.520 1.00 9.30 C ATOM 63 CD GLU A 11 -0.555 -3.978 -1.448 1.00 10.28 C ATOM 64 OE1 GLU A 11 0.381 -4.735 -1.784 1.00 10.59 O ATOM 65 OE2 GLU A 11 -0.903 -3.829 -0.260 1.00 10.48 O ATOM 0 H GLU A 11 -1.826 -3.596 -6.789 1.00 9.37 H new ATOM 0 HA GLU A 11 -3.357 -3.830 -4.321 1.00 9.01 H new ATOM 0 HB2 GLU A 11 -1.304 -4.992 -3.712 1.00 9.39 H new ATOM 0 HB3 GLU A 11 -0.331 -3.689 -4.364 1.00 9.39 H new ATOM 0 HG2 GLU A 11 -0.876 -2.220 -2.621 1.00 9.30 H new ATOM 0 HG3 GLU A 11 -2.343 -3.085 -2.207 1.00 9.30 H new ATOM 72 N PHE A 12 -3.565 -1.379 -4.684 1.00 8.06 N ATOM 73 CA PHE A 12 -3.702 0.058 -4.877 1.00 8.00 C ATOM 74 C PHE A 12 -4.227 0.745 -3.621 1.00 7.20 C ATOM 75 O PHE A 12 -4.713 0.091 -2.696 1.00 6.96 O ATOM 76 CB PHE A 12 -4.618 0.351 -6.074 1.00 8.48 C ATOM 77 CG PHE A 12 -6.046 -0.095 -5.900 1.00 7.99 C ATOM 78 CD1 PHE A 12 -6.412 -1.413 -6.124 1.00 8.45 C ATOM 79 CD2 PHE A 12 -7.027 0.811 -5.524 1.00 7.85 C ATOM 80 CE1 PHE A 12 -7.725 -1.819 -5.975 1.00 8.74 C ATOM 81 CE2 PHE A 12 -8.342 0.410 -5.375 1.00 8.21 C ATOM 82 CZ PHE A 12 -8.691 -0.906 -5.600 1.00 8.93 C ATOM 0 H PHE A 12 -4.384 -1.834 -4.281 1.00 8.06 H new ATOM 0 HA PHE A 12 -2.711 0.462 -5.084 1.00 8.00 H new ATOM 0 HB2 PHE A 12 -4.608 1.424 -6.267 1.00 8.48 H new ATOM 0 HB3 PHE A 12 -4.205 -0.136 -6.957 1.00 8.48 H new ATOM 0 HD1 PHE A 12 -5.662 -2.132 -6.419 1.00 8.45 H new ATOM 0 HD2 PHE A 12 -6.760 1.842 -5.345 1.00 7.85 H new ATOM 0 HE1 PHE A 12 -7.995 -2.850 -6.152 1.00 8.74 H new ATOM 0 HE2 PHE A 12 -9.095 1.126 -5.083 1.00 8.21 H new ATOM 0 HZ PHE A 12 -9.717 -1.221 -5.483 1.00 8.93 H new ATOM 92 N ILE A 13 -4.122 2.066 -3.598 1.00 7.08 N ATOM 93 CA ILE A 13 -4.575 2.856 -2.463 1.00 6.69 C ATOM 94 C ILE A 13 -5.996 3.360 -2.691 1.00 5.92 C ATOM 95 O ILE A 13 -6.269 4.059 -3.669 1.00 5.90 O ATOM 96 CB ILE A 13 -3.648 4.065 -2.211 1.00 7.52 C ATOM 97 CG1 ILE A 13 -2.224 3.597 -1.884 1.00 8.17 C ATOM 98 CG2 ILE A 13 -4.196 4.939 -1.088 1.00 7.63 C ATOM 99 CD1 ILE A 13 -2.102 2.895 -0.548 1.00 8.66 C ATOM 0 H ILE A 13 -3.724 2.616 -4.359 1.00 7.08 H new ATOM 0 HA ILE A 13 -4.552 2.205 -1.589 1.00 6.69 H new ATOM 0 HB ILE A 13 -3.611 4.662 -3.122 1.00 7.52 H new ATOM 0 HG12 ILE A 13 -1.884 2.923 -2.670 1.00 8.17 H new ATOM 0 HG13 ILE A 13 -1.557 4.459 -1.893 1.00 8.17 H new ATOM 0 HG21 ILE A 13 -3.528 5.785 -0.926 1.00 7.63 H new ATOM 0 HG22 ILE A 13 -5.186 5.305 -1.362 1.00 7.63 H new ATOM 0 HG23 ILE A 13 -4.267 4.352 -0.172 1.00 7.63 H new ATOM 0 HD11 ILE A 13 -1.067 2.594 -0.388 1.00 8.66 H new ATOM 0 HD12 ILE A 13 -2.410 3.572 0.248 1.00 8.66 H new ATOM 0 HD13 ILE A 13 -2.741 2.012 -0.541 1.00 8.66 H new ATOM 111 N SER A 14 -6.895 2.995 -1.793 1.00 5.60 N ATOM 112 CA SER A 14 -8.279 3.416 -1.892 1.00 5.30 C ATOM 113 C SER A 14 -8.599 4.486 -0.848 1.00 5.64 C ATOM 114 O SER A 14 -8.860 4.176 0.317 1.00 6.11 O ATOM 115 CB SER A 14 -9.202 2.209 -1.712 1.00 5.40 C ATOM 116 OG SER A 14 -8.581 1.021 -2.179 1.00 5.67 O ATOM 0 H SER A 14 -6.689 2.407 -0.986 1.00 5.60 H new ATOM 0 HA SER A 14 -8.440 3.847 -2.880 1.00 5.30 H new ATOM 0 HB2 SER A 14 -9.461 2.099 -0.659 1.00 5.40 H new ATOM 0 HB3 SER A 14 -10.133 2.374 -2.254 1.00 5.40 H new ATOM 0 HG SER A 14 -8.601 1.005 -3.159 1.00 5.67 H new ATOM 122 N ARG A 15 -8.549 5.746 -1.265 1.00 5.77 N ATOM 123 CA ARG A 15 -8.857 6.862 -0.380 1.00 6.44 C ATOM 124 C ARG A 15 -10.368 7.054 -0.341 1.00 6.84 C ATOM 125 O ARG A 15 -10.956 7.585 -1.282 1.00 7.10 O ATOM 126 CB ARG A 15 -8.166 8.141 -0.874 1.00 6.76 C ATOM 127 CG ARG A 15 -7.107 8.689 0.073 1.00 7.07 C ATOM 128 CD ARG A 15 -6.338 9.845 -0.560 1.00 7.39 C ATOM 129 NE ARG A 15 -5.484 10.543 0.407 1.00 8.02 N ATOM 130 CZ ARG A 15 -4.196 10.837 0.205 1.00 8.40 C ATOM 131 NH1 ARG A 15 -3.609 10.538 -0.946 1.00 8.31 N ATOM 132 NH2 ARG A 15 -3.501 11.446 1.158 1.00 9.09 N ATOM 0 H ARG A 15 -8.297 6.020 -2.215 1.00 5.77 H new ATOM 0 HA ARG A 15 -8.490 6.647 0.624 1.00 6.44 H new ATOM 0 HB2 ARG A 15 -7.703 7.939 -1.840 1.00 6.76 H new ATOM 0 HB3 ARG A 15 -8.923 8.909 -1.037 1.00 6.76 H new ATOM 0 HG2 ARG A 15 -7.581 9.027 0.995 1.00 7.07 H new ATOM 0 HG3 ARG A 15 -6.413 7.894 0.344 1.00 7.07 H new ATOM 0 HD2 ARG A 15 -5.723 9.465 -1.376 1.00 7.39 H new ATOM 0 HD3 ARG A 15 -7.044 10.553 -0.995 1.00 7.39 H new ATOM 0 HE ARG A 15 -5.902 10.823 1.294 1.00 8.02 H new ATOM 0 HH11 ARG A 15 -4.141 10.080 -1.686 1.00 8.31 H new ATOM 0 HH12 ARG A 15 -2.626 10.766 -1.091 1.00 8.31 H new ATOM 0 HH21 ARG A 15 -3.950 11.688 2.041 1.00 9.09 H new ATOM 0 HH22 ARG A 15 -2.518 11.672 1.007 1.00 9.09 H new ATOM 146 N HIS A 16 -11.002 6.596 0.729 1.00 7.25 N ATOM 147 CA HIS A 16 -12.453 6.702 0.850 1.00 8.00 C ATOM 148 C HIS A 16 -12.855 7.253 2.212 1.00 8.80 C ATOM 149 O HIS A 16 -12.091 7.163 3.170 1.00 9.25 O ATOM 150 CB HIS A 16 -13.110 5.332 0.628 1.00 7.87 C ATOM 151 CG HIS A 16 -12.768 4.314 1.679 1.00 8.55 C ATOM 152 ND1 HIS A 16 -13.383 4.263 2.912 1.00 8.91 N ATOM 153 CD2 HIS A 16 -11.867 3.304 1.671 1.00 9.13 C ATOM 154 CE1 HIS A 16 -12.875 3.270 3.614 1.00 9.65 C ATOM 155 NE2 HIS A 16 -11.953 2.672 2.887 1.00 9.79 N ATOM 0 H HIS A 16 -10.540 6.150 1.522 1.00 7.25 H new ATOM 0 HA HIS A 16 -12.800 7.395 0.084 1.00 8.00 H new ATOM 0 HB2 HIS A 16 -14.192 5.460 0.599 1.00 7.87 H new ATOM 0 HB3 HIS A 16 -12.808 4.949 -0.347 1.00 7.87 H new ATOM 0 HD1 HIS A 16 -14.117 4.895 3.231 1.00 8.91 H new ATOM 0 HD2 HIS A 16 -11.204 3.044 0.859 1.00 9.13 H new ATOM 0 HE1 HIS A 16 -13.166 2.993 4.617 1.00 9.65 H new ATOM 164 N ASN A 17 -14.062 7.799 2.297 1.00 9.21 N ATOM 165 CA ASN A 17 -14.563 8.349 3.552 1.00 10.20 C ATOM 166 C ASN A 17 -15.031 7.220 4.476 1.00 10.40 C ATOM 167 O ASN A 17 -14.983 6.046 4.097 1.00 10.47 O ATOM 168 CB ASN A 17 -15.689 9.367 3.295 1.00 11.03 C ATOM 169 CG ASN A 17 -17.077 8.751 3.189 1.00 11.85 C ATOM 170 OD1 ASN A 17 -17.252 7.639 2.690 1.00 11.82 O ATOM 171 ND2 ASN A 17 -18.072 9.477 3.671 1.00 12.69 N ATOM 0 H ASN A 17 -14.711 7.873 1.514 1.00 9.21 H new ATOM 0 HA ASN A 17 -13.751 8.879 4.049 1.00 10.20 H new ATOM 0 HB2 ASN A 17 -15.690 10.101 4.101 1.00 11.03 H new ATOM 0 HB3 ASN A 17 -15.472 9.906 2.373 1.00 11.03 H new ATOM 0 HD21 ASN A 17 -19.027 9.120 3.637 1.00 12.69 H new ATOM 0 HD22 ASN A 17 -17.884 10.394 4.076 1.00 12.69 H new ATOM 178 N ILE A 18 -15.481 7.577 5.676 1.00 10.70 N ATOM 179 CA ILE A 18 -15.936 6.598 6.670 1.00 11.18 C ATOM 180 C ILE A 18 -17.024 5.654 6.141 1.00 11.08 C ATOM 181 O ILE A 18 -17.037 4.473 6.479 1.00 11.25 O ATOM 182 CB ILE A 18 -16.455 7.290 7.949 1.00 12.00 C ATOM 183 CG1 ILE A 18 -17.475 8.382 7.601 1.00 12.63 C ATOM 184 CG2 ILE A 18 -15.294 7.872 8.743 1.00 12.34 C ATOM 185 CD1 ILE A 18 -18.180 8.963 8.808 1.00 13.58 C ATOM 0 H ILE A 18 -15.542 8.546 5.989 1.00 10.70 H new ATOM 0 HA ILE A 18 -15.055 5.999 6.902 1.00 11.18 H new ATOM 0 HB ILE A 18 -16.956 6.544 8.565 1.00 12.00 H new ATOM 0 HG12 ILE A 18 -16.967 9.185 7.067 1.00 12.63 H new ATOM 0 HG13 ILE A 18 -18.219 7.968 6.921 1.00 12.63 H new ATOM 0 HG21 ILE A 18 -15.675 8.357 9.642 1.00 12.34 H new ATOM 0 HG22 ILE A 18 -14.609 7.073 9.024 1.00 12.34 H new ATOM 0 HG23 ILE A 18 -14.766 8.604 8.132 1.00 12.34 H new ATOM 0 HD11 ILE A 18 -18.885 9.728 8.484 1.00 13.58 H new ATOM 0 HD12 ILE A 18 -18.718 8.172 9.331 1.00 13.58 H new ATOM 0 HD13 ILE A 18 -17.445 9.408 9.479 1.00 13.58 H new ATOM 197 N GLU A 19 -17.928 6.170 5.313 1.00 10.98 N ATOM 198 CA GLU A 19 -19.017 5.359 4.760 1.00 11.15 C ATOM 199 C GLU A 19 -18.511 4.393 3.694 1.00 10.09 C ATOM 200 O GLU A 19 -19.121 3.355 3.437 1.00 10.09 O ATOM 201 CB GLU A 19 -20.091 6.260 4.156 1.00 12.03 C ATOM 202 CG GLU A 19 -20.628 7.299 5.119 1.00 13.15 C ATOM 203 CD GLU A 19 -21.425 8.366 4.408 1.00 13.37 C ATOM 204 OE1 GLU A 19 -20.815 9.360 3.961 1.00 13.50 O ATOM 205 OE2 GLU A 19 -22.657 8.214 4.287 1.00 13.85 O ATOM 0 H GLU A 19 -17.931 7.144 5.009 1.00 10.98 H new ATOM 0 HA GLU A 19 -19.440 4.777 5.579 1.00 11.15 H new ATOM 0 HB2 GLU A 19 -19.679 6.766 3.283 1.00 12.03 H new ATOM 0 HB3 GLU A 19 -20.917 5.641 3.806 1.00 12.03 H new ATOM 0 HG2 GLU A 19 -21.257 6.812 5.865 1.00 13.15 H new ATOM 0 HG3 GLU A 19 -19.799 7.761 5.654 1.00 13.15 H new ATOM 212 N GLY A 20 -17.406 4.746 3.063 1.00 9.38 N ATOM 213 CA GLY A 20 -16.848 3.899 2.034 1.00 8.49 C ATOM 214 C GLY A 20 -16.850 4.569 0.680 1.00 8.41 C ATOM 215 O GLY A 20 -16.429 3.970 -0.307 1.00 8.52 O ATOM 0 H GLY A 20 -16.885 5.604 3.244 1.00 9.38 H new ATOM 0 HA2 GLY A 20 -15.827 3.629 2.302 1.00 8.49 H new ATOM 0 HA3 GLY A 20 -17.419 2.972 1.980 1.00 8.49 H new ATOM 219 N ILE A 21 -17.328 5.809 0.637 1.00 8.47 N ATOM 220 CA ILE A 21 -17.375 6.576 -0.601 1.00 8.70 C ATOM 221 C ILE A 21 -15.961 6.907 -1.054 1.00 8.24 C ATOM 222 O ILE A 21 -15.234 7.635 -0.367 1.00 8.70 O ATOM 223 CB ILE A 21 -18.168 7.893 -0.430 1.00 9.49 C ATOM 224 CG1 ILE A 21 -19.601 7.604 0.029 1.00 10.11 C ATOM 225 CG2 ILE A 21 -18.170 8.695 -1.728 1.00 9.59 C ATOM 226 CD1 ILE A 21 -20.436 6.873 -0.999 1.00 10.74 C ATOM 0 H ILE A 21 -17.690 6.305 1.451 1.00 8.47 H new ATOM 0 HA ILE A 21 -17.881 5.964 -1.348 1.00 8.70 H new ATOM 0 HB ILE A 21 -17.676 8.490 0.338 1.00 9.49 H new ATOM 0 HG12 ILE A 21 -19.567 7.012 0.943 1.00 10.11 H new ATOM 0 HG13 ILE A 21 -20.090 8.546 0.277 1.00 10.11 H new ATOM 0 HG21 ILE A 21 -18.733 9.617 -1.585 1.00 9.59 H new ATOM 0 HG22 ILE A 21 -17.145 8.936 -2.008 1.00 9.59 H new ATOM 0 HG23 ILE A 21 -18.634 8.106 -2.519 1.00 9.59 H new ATOM 0 HD11 ILE A 21 -21.437 6.704 -0.602 1.00 10.74 H new ATOM 0 HD12 ILE A 21 -20.502 7.473 -1.907 1.00 10.74 H new ATOM 0 HD13 ILE A 21 -19.971 5.915 -1.230 1.00 10.74 H new ATOM 238 N PHE A 22 -15.567 6.351 -2.188 1.00 7.56 N ATOM 239 CA PHE A 22 -14.236 6.582 -2.727 1.00 7.35 C ATOM 240 C PHE A 22 -14.072 8.028 -3.166 1.00 7.07 C ATOM 241 O PHE A 22 -14.875 8.551 -3.936 1.00 7.53 O ATOM 242 CB PHE A 22 -13.963 5.649 -3.904 1.00 7.50 C ATOM 243 CG PHE A 22 -13.814 4.206 -3.513 1.00 8.14 C ATOM 244 CD1 PHE A 22 -14.930 3.409 -3.318 1.00 8.51 C ATOM 245 CD2 PHE A 22 -12.557 3.644 -3.348 1.00 8.60 C ATOM 246 CE1 PHE A 22 -14.798 2.082 -2.966 1.00 9.27 C ATOM 247 CE2 PHE A 22 -12.419 2.316 -2.994 1.00 9.42 C ATOM 248 CZ PHE A 22 -13.540 1.534 -2.805 1.00 9.73 C ATOM 0 H PHE A 22 -16.151 5.735 -2.754 1.00 7.56 H new ATOM 0 HA PHE A 22 -13.515 6.374 -1.936 1.00 7.35 H new ATOM 0 HB2 PHE A 22 -14.777 5.739 -4.623 1.00 7.50 H new ATOM 0 HB3 PHE A 22 -13.054 5.974 -4.410 1.00 7.50 H new ATOM 0 HD1 PHE A 22 -15.916 3.832 -3.443 1.00 8.51 H new ATOM 0 HD2 PHE A 22 -11.677 4.251 -3.498 1.00 8.60 H new ATOM 0 HE1 PHE A 22 -15.677 1.472 -2.816 1.00 9.27 H new ATOM 0 HE2 PHE A 22 -11.435 1.890 -2.865 1.00 9.42 H new ATOM 0 HZ PHE A 22 -13.434 0.495 -2.531 1.00 9.73 H new ATOM 258 N THR A 23 -13.034 8.667 -2.656 1.00 6.58 N ATOM 259 CA THR A 23 -12.738 10.047 -2.991 1.00 6.57 C ATOM 260 C THR A 23 -11.531 10.104 -3.924 1.00 5.83 C ATOM 261 O THR A 23 -11.373 11.039 -4.711 1.00 5.91 O ATOM 262 CB THR A 23 -12.457 10.864 -1.716 1.00 7.05 C ATOM 263 OG1 THR A 23 -13.268 10.366 -0.640 1.00 7.33 O ATOM 264 CG2 THR A 23 -12.754 12.340 -1.940 1.00 7.74 C ATOM 0 H THR A 23 -12.376 8.245 -2.001 1.00 6.58 H new ATOM 0 HA THR A 23 -13.603 10.478 -3.495 1.00 6.57 H new ATOM 0 HB THR A 23 -11.402 10.760 -1.463 1.00 7.05 H new ATOM 0 HG1 THR A 23 -13.088 10.884 0.172 1.00 7.33 H new ATOM 0 HG21 THR A 23 -12.548 12.896 -1.025 1.00 7.74 H new ATOM 0 HG22 THR A 23 -12.125 12.720 -2.745 1.00 7.74 H new ATOM 0 HG23 THR A 23 -13.803 12.463 -2.211 1.00 7.74 H new ATOM 272 N PHE A 24 -10.685 9.085 -3.832 1.00 5.35 N ATOM 273 CA PHE A 24 -9.495 8.982 -4.662 1.00 4.99 C ATOM 274 C PHE A 24 -9.126 7.516 -4.847 1.00 4.39 C ATOM 275 O PHE A 24 -8.811 6.818 -3.880 1.00 4.25 O ATOM 276 CB PHE A 24 -8.326 9.748 -4.035 1.00 5.47 C ATOM 277 CG PHE A 24 -7.091 9.764 -4.890 1.00 5.80 C ATOM 278 CD1 PHE A 24 -7.039 10.537 -6.039 1.00 5.92 C ATOM 279 CD2 PHE A 24 -5.981 9.011 -4.543 1.00 6.29 C ATOM 280 CE1 PHE A 24 -5.904 10.556 -6.825 1.00 6.43 C ATOM 281 CE2 PHE A 24 -4.844 9.025 -5.326 1.00 6.89 C ATOM 282 CZ PHE A 24 -4.806 9.800 -6.468 1.00 6.92 C ATOM 0 H PHE A 24 -10.806 8.309 -3.181 1.00 5.35 H new ATOM 0 HA PHE A 24 -9.707 9.426 -5.635 1.00 4.99 H new ATOM 0 HB2 PHE A 24 -8.637 10.775 -3.841 1.00 5.47 H new ATOM 0 HB3 PHE A 24 -8.085 9.301 -3.071 1.00 5.47 H new ATOM 0 HD1 PHE A 24 -7.895 11.131 -6.323 1.00 5.92 H new ATOM 0 HD2 PHE A 24 -6.005 8.406 -3.649 1.00 6.29 H new ATOM 0 HE1 PHE A 24 -5.875 11.162 -7.718 1.00 6.43 H new ATOM 0 HE2 PHE A 24 -3.986 8.431 -5.046 1.00 6.89 H new ATOM 0 HZ PHE A 24 -3.917 9.815 -7.082 1.00 6.92 H new ATOM 292 N VAL A 25 -9.185 7.047 -6.083 1.00 4.43 N ATOM 293 CA VAL A 25 -8.867 5.660 -6.391 1.00 4.39 C ATOM 294 C VAL A 25 -7.588 5.569 -7.213 1.00 4.75 C ATOM 295 O VAL A 25 -7.450 6.245 -8.233 1.00 5.12 O ATOM 296 CB VAL A 25 -10.016 4.975 -7.163 1.00 5.05 C ATOM 297 CG1 VAL A 25 -9.769 3.479 -7.283 1.00 5.18 C ATOM 298 CG2 VAL A 25 -11.352 5.247 -6.488 1.00 6.02 C ATOM 0 H VAL A 25 -9.451 7.608 -6.892 1.00 4.43 H new ATOM 0 HA VAL A 25 -8.726 5.144 -5.441 1.00 4.39 H new ATOM 0 HB VAL A 25 -10.049 5.395 -8.168 1.00 5.05 H new ATOM 0 HG11 VAL A 25 -10.591 3.017 -7.830 1.00 5.18 H new ATOM 0 HG12 VAL A 25 -8.835 3.306 -7.817 1.00 5.18 H new ATOM 0 HG13 VAL A 25 -9.704 3.040 -6.287 1.00 5.18 H new ATOM 0 HG21 VAL A 25 -12.149 4.756 -7.047 1.00 6.02 H new ATOM 0 HG22 VAL A 25 -11.331 4.859 -5.470 1.00 6.02 H new ATOM 0 HG23 VAL A 25 -11.535 6.321 -6.463 1.00 6.02 H new ATOM 308 N ASP A 26 -6.652 4.752 -6.749 1.00 5.07 N ATOM 309 CA ASP A 26 -5.382 4.559 -7.444 1.00 5.85 C ATOM 310 C ASP A 26 -5.618 3.869 -8.785 1.00 6.77 C ATOM 311 O ASP A 26 -6.384 2.907 -8.871 1.00 6.87 O ATOM 312 CB ASP A 26 -4.438 3.724 -6.578 1.00 5.75 C ATOM 313 CG ASP A 26 -3.015 3.683 -7.102 1.00 6.66 C ATOM 314 OD1 ASP A 26 -2.784 3.136 -8.202 1.00 7.31 O ATOM 315 OD2 ASP A 26 -2.112 4.166 -6.390 1.00 6.95 O ATOM 0 H ASP A 26 -6.747 4.209 -5.891 1.00 5.07 H new ATOM 0 HA ASP A 26 -4.925 5.531 -7.628 1.00 5.85 H new ATOM 0 HB2 ASP A 26 -4.433 4.128 -5.566 1.00 5.75 H new ATOM 0 HB3 ASP A 26 -4.822 2.706 -6.513 1.00 5.75 H new ATOM 320 N HIS A 27 -4.948 4.361 -9.823 1.00 7.68 N ATOM 321 CA HIS A 27 -5.085 3.819 -11.177 1.00 8.77 C ATOM 322 C HIS A 27 -4.746 2.327 -11.259 1.00 9.47 C ATOM 323 O HIS A 27 -5.094 1.665 -12.240 1.00 9.87 O ATOM 324 CB HIS A 27 -4.223 4.609 -12.177 1.00 9.42 C ATOM 325 CG HIS A 27 -2.738 4.519 -11.944 1.00 10.21 C ATOM 326 ND1 HIS A 27 -1.926 3.606 -12.583 1.00 10.91 N ATOM 327 CD2 HIS A 27 -1.917 5.267 -11.170 1.00 10.62 C ATOM 328 CE1 HIS A 27 -0.673 3.797 -12.211 1.00 11.67 C ATOM 329 NE2 HIS A 27 -0.636 4.802 -11.355 1.00 11.51 N ATOM 0 H HIS A 27 -4.297 5.143 -9.753 1.00 7.68 H new ATOM 0 HA HIS A 27 -6.137 3.927 -11.442 1.00 8.77 H new ATOM 0 HB2 HIS A 27 -4.440 4.251 -13.183 1.00 9.42 H new ATOM 0 HB3 HIS A 27 -4.519 5.657 -12.140 1.00 9.42 H new ATOM 0 HD2 HIS A 27 -2.214 6.081 -10.525 1.00 10.62 H new ATOM 0 HE1 HIS A 27 0.179 3.227 -12.550 1.00 11.67 H new ATOM 0 HE2 HIS A 27 0.202 5.171 -10.906 1.00 11.51 H new ATOM 338 N ARG A 28 -4.074 1.792 -10.246 1.00 9.78 N ATOM 339 CA ARG A 28 -3.720 0.374 -10.234 1.00 10.59 C ATOM 340 C ARG A 28 -4.966 -0.503 -10.096 1.00 11.06 C ATOM 341 O ARG A 28 -4.901 -1.720 -10.274 1.00 11.12 O ATOM 342 CB ARG A 28 -2.740 0.069 -9.102 1.00 10.74 C ATOM 343 CG ARG A 28 -1.303 0.442 -9.425 1.00 11.22 C ATOM 344 CD ARG A 28 -0.418 0.352 -8.194 1.00 11.69 C ATOM 345 NE ARG A 28 -0.659 1.456 -7.261 1.00 11.31 N ATOM 346 CZ ARG A 28 -0.096 1.551 -6.055 1.00 11.44 C ATOM 347 NH1 ARG A 28 0.703 0.584 -5.614 1.00 11.91 N ATOM 348 NH2 ARG A 28 -0.350 2.608 -5.290 1.00 11.23 N ATOM 0 H ARG A 28 -3.764 2.313 -9.426 1.00 9.78 H new ATOM 0 HA ARG A 28 -3.240 0.146 -11.186 1.00 10.59 H new ATOM 0 HB2 ARG A 28 -3.054 0.606 -8.207 1.00 10.74 H new ATOM 0 HB3 ARG A 28 -2.787 -0.995 -8.869 1.00 10.74 H new ATOM 0 HG2 ARG A 28 -0.919 -0.221 -10.201 1.00 11.22 H new ATOM 0 HG3 ARG A 28 -1.270 1.455 -9.826 1.00 11.22 H new ATOM 0 HD2 ARG A 28 -0.598 -0.596 -7.687 1.00 11.69 H new ATOM 0 HD3 ARG A 28 0.628 0.357 -8.499 1.00 11.69 H new ATOM 0 HE ARG A 28 -1.296 2.198 -7.551 1.00 11.31 H new ATOM 0 HH11 ARG A 28 0.886 -0.232 -6.198 1.00 11.91 H new ATOM 0 HH12 ARG A 28 1.133 0.658 -4.692 1.00 11.91 H new ATOM 0 HH21 ARG A 28 -0.973 3.342 -5.626 1.00 11.23 H new ATOM 0 HH22 ARG A 28 0.078 2.685 -4.367 1.00 11.23 H new ATOM 362 N CYS A 29 -6.104 0.122 -9.794 1.00 11.56 N ATOM 363 CA CYS A 29 -7.364 -0.598 -9.642 1.00 12.23 C ATOM 364 C CYS A 29 -7.734 -1.328 -10.932 1.00 12.88 C ATOM 365 O CYS A 29 -8.343 -2.400 -10.897 1.00 12.99 O ATOM 366 CB CYS A 29 -8.486 0.364 -9.249 1.00 12.60 C ATOM 367 SG CYS A 29 -8.823 1.645 -10.479 1.00 12.95 S ATOM 0 H CYS A 29 -6.177 1.129 -9.650 1.00 11.56 H new ATOM 0 HA CYS A 29 -7.235 -1.336 -8.850 1.00 12.23 H new ATOM 0 HB2 CYS A 29 -9.397 -0.208 -9.077 1.00 12.60 H new ATOM 0 HB3 CYS A 29 -8.226 0.842 -8.304 1.00 12.60 H new ATOM 0 HG CYS A 29 -9.856 1.303 -11.190 1.00 12.95 H new ATOM 373 N VAL A 30 -7.340 -0.753 -12.066 1.00 13.46 N ATOM 374 CA VAL A 30 -7.627 -1.337 -13.372 1.00 14.27 C ATOM 375 C VAL A 30 -6.907 -2.675 -13.539 1.00 14.13 C ATOM 376 O VAL A 30 -7.446 -3.613 -14.123 1.00 14.19 O ATOM 377 CB VAL A 30 -7.210 -0.387 -14.517 1.00 15.19 C ATOM 378 CG1 VAL A 30 -7.704 -0.904 -15.862 1.00 16.15 C ATOM 379 CG2 VAL A 30 -7.732 1.020 -14.262 1.00 15.20 C ATOM 0 H VAL A 30 -6.818 0.122 -12.105 1.00 13.46 H new ATOM 0 HA VAL A 30 -8.704 -1.498 -13.423 1.00 14.27 H new ATOM 0 HB VAL A 30 -6.121 -0.352 -14.547 1.00 15.19 H new ATOM 0 HG11 VAL A 30 -7.397 -0.217 -16.651 1.00 16.15 H new ATOM 0 HG12 VAL A 30 -7.277 -1.889 -16.052 1.00 16.15 H new ATOM 0 HG13 VAL A 30 -8.791 -0.977 -15.847 1.00 16.15 H new ATOM 0 HG21 VAL A 30 -7.428 1.674 -15.079 1.00 15.20 H new ATOM 0 HG22 VAL A 30 -8.820 0.999 -14.200 1.00 15.20 H new ATOM 0 HG23 VAL A 30 -7.322 1.396 -13.325 1.00 15.20 H new ATOM 389 N ALA A 31 -5.698 -2.764 -13.002 1.00 14.12 N ATOM 390 CA ALA A 31 -4.915 -3.988 -13.096 1.00 14.20 C ATOM 391 C ALA A 31 -5.268 -4.947 -11.968 1.00 14.41 C ATOM 392 O ALA A 31 -4.953 -6.135 -12.026 1.00 15.07 O ATOM 393 CB ALA A 31 -3.428 -3.669 -13.072 1.00 14.19 C ATOM 0 H ALA A 31 -5.239 -2.005 -12.498 1.00 14.12 H new ATOM 0 HA ALA A 31 -5.155 -4.472 -14.043 1.00 14.20 H new ATOM 0 HB1 ALA A 31 -2.856 -4.594 -13.143 1.00 14.19 H new ATOM 0 HB2 ALA A 31 -3.181 -3.024 -13.915 1.00 14.19 H new ATOM 0 HB3 ALA A 31 -3.180 -3.160 -12.141 1.00 14.19 H new ATOM 399 N THR A 32 -5.925 -4.423 -10.944 1.00 13.95 N ATOM 400 CA THR A 32 -6.314 -5.228 -9.798 1.00 14.24 C ATOM 401 C THR A 32 -7.677 -5.887 -10.010 1.00 14.03 C ATOM 402 O THR A 32 -7.802 -7.110 -9.935 1.00 14.20 O ATOM 403 CB THR A 32 -6.347 -4.380 -8.512 1.00 14.27 C ATOM 404 OG1 THR A 32 -5.112 -3.670 -8.366 1.00 14.90 O ATOM 405 CG2 THR A 32 -6.579 -5.255 -7.290 1.00 14.04 C ATOM 0 H THR A 32 -6.200 -3.443 -10.884 1.00 13.95 H new ATOM 0 HA THR A 32 -5.563 -6.011 -9.690 1.00 14.24 H new ATOM 0 HB THR A 32 -7.171 -3.671 -8.592 1.00 14.27 H new ATOM 0 HG1 THR A 32 -5.057 -2.967 -9.046 1.00 14.90 H new ATOM 0 HG21 THR A 32 -6.598 -4.633 -6.395 1.00 14.04 H new ATOM 0 HG22 THR A 32 -7.532 -5.775 -7.391 1.00 14.04 H new ATOM 0 HG23 THR A 32 -5.774 -5.985 -7.207 1.00 14.04 H new ATOM 413 N VAL A 33 -8.697 -5.076 -10.279 1.00 13.80 N ATOM 414 CA VAL A 33 -10.045 -5.601 -10.488 1.00 13.77 C ATOM 415 C VAL A 33 -10.596 -5.227 -11.863 1.00 13.68 C ATOM 416 O VAL A 33 -11.546 -5.843 -12.344 1.00 13.84 O ATOM 417 CB VAL A 33 -11.029 -5.115 -9.398 1.00 13.66 C ATOM 418 CG1 VAL A 33 -10.761 -5.826 -8.081 1.00 13.80 C ATOM 419 CG2 VAL A 33 -10.939 -3.607 -9.214 1.00 13.68 C ATOM 0 H VAL A 33 -8.618 -4.062 -10.357 1.00 13.80 H new ATOM 0 HA VAL A 33 -9.957 -6.686 -10.426 1.00 13.77 H new ATOM 0 HB VAL A 33 -12.040 -5.358 -9.726 1.00 13.66 H new ATOM 0 HG11 VAL A 33 -11.463 -5.471 -7.326 1.00 13.80 H new ATOM 0 HG12 VAL A 33 -10.886 -6.900 -8.216 1.00 13.80 H new ATOM 0 HG13 VAL A 33 -9.742 -5.617 -7.755 1.00 13.80 H new ATOM 0 HG21 VAL A 33 -11.641 -3.292 -8.442 1.00 13.68 H new ATOM 0 HG22 VAL A 33 -9.926 -3.337 -8.915 1.00 13.68 H new ATOM 0 HG23 VAL A 33 -11.185 -3.111 -10.153 1.00 13.68 H new ATOM 429 N GLY A 34 -10.018 -4.209 -12.485 1.00 13.56 N ATOM 430 CA GLY A 34 -10.473 -3.791 -13.801 1.00 13.65 C ATOM 431 C GLY A 34 -11.398 -2.594 -13.735 1.00 13.54 C ATOM 432 O GLY A 34 -11.614 -1.908 -14.736 1.00 13.85 O ATOM 0 H GLY A 34 -9.244 -3.664 -12.105 1.00 13.56 H new ATOM 0 HA2 GLY A 34 -9.610 -3.547 -14.421 1.00 13.65 H new ATOM 0 HA3 GLY A 34 -10.989 -4.620 -14.285 1.00 13.65 H new ATOM 436 N TYR A 35 -11.947 -2.349 -12.554 1.00 13.21 N ATOM 437 CA TYR A 35 -12.851 -1.228 -12.345 1.00 13.20 C ATOM 438 C TYR A 35 -12.109 0.091 -12.503 1.00 12.81 C ATOM 439 O TYR A 35 -10.982 0.240 -12.022 1.00 12.67 O ATOM 440 CB TYR A 35 -13.478 -1.299 -10.950 1.00 13.25 C ATOM 441 CG TYR A 35 -14.815 -2.001 -10.908 1.00 15.79 C ATOM 442 CD1 TYR A 35 -15.929 -1.444 -11.518 1.00 16.05 C ATOM 443 CD2 TYR A 35 -14.966 -3.213 -10.249 1.00 16.35 C ATOM 444 CE1 TYR A 35 -17.155 -2.076 -11.478 1.00 16.85 C ATOM 445 CE2 TYR A 35 -16.190 -3.851 -10.205 1.00 17.14 C ATOM 446 CZ TYR A 35 -17.281 -3.278 -10.821 1.00 15.43 C ATOM 447 OH TYR A 35 -18.502 -3.909 -10.786 1.00 18.28 O ATOM 0 H TYR A 35 -11.781 -2.915 -11.722 1.00 13.21 H new ATOM 0 HA TYR A 35 -13.641 -1.285 -13.094 1.00 13.20 H new ATOM 0 HB2 TYR A 35 -12.789 -1.813 -10.280 1.00 13.25 H new ATOM 0 HB3 TYR A 35 -13.600 -0.286 -10.566 1.00 13.25 H new ATOM 0 HD1 TYR A 35 -15.835 -0.499 -12.033 1.00 16.05 H new ATOM 0 HD2 TYR A 35 -14.113 -3.664 -9.763 1.00 16.35 H new ATOM 0 HE1 TYR A 35 -18.012 -1.629 -11.960 1.00 16.85 H new ATOM 0 HE2 TYR A 35 -16.292 -4.795 -9.690 1.00 17.14 H new ATOM 0 HH TYR A 35 -18.470 -4.715 -11.343 1.00 18.28 H new ATOM 457 N GLN A 36 -12.736 1.036 -13.190 1.00 12.79 N ATOM 458 CA GLN A 36 -12.140 2.345 -13.396 1.00 12.57 C ATOM 459 C GLN A 36 -12.256 3.160 -12.115 1.00 11.54 C ATOM 460 O GLN A 36 -13.189 2.959 -11.340 1.00 11.22 O ATOM 461 CB GLN A 36 -12.825 3.073 -14.558 1.00 13.45 C ATOM 462 CG GLN A 36 -12.668 2.373 -15.900 1.00 14.56 C ATOM 463 CD GLN A 36 -11.219 2.074 -16.238 1.00 15.07 C ATOM 464 OE1 GLN A 36 -10.768 0.873 -15.911 1.00 15.22 O flip ATOM 465 NE2 GLN A 36 -10.510 2.915 -16.793 1.00 15.48 N flip ATOM 0 H GLN A 36 -13.657 0.919 -13.613 1.00 12.79 H new ATOM 0 HA GLN A 36 -11.087 2.222 -13.650 1.00 12.57 H new ATOM 0 HB2 GLN A 36 -13.887 3.176 -14.335 1.00 13.45 H new ATOM 0 HB3 GLN A 36 -12.416 4.081 -14.634 1.00 13.45 H new ATOM 0 HG2 GLN A 36 -13.234 1.441 -15.888 1.00 14.56 H new ATOM 0 HG3 GLN A 36 -13.098 2.997 -16.683 1.00 14.56 H new ATOM 0 HE21 GLN A 36 -10.894 3.830 -17.029 1.00 15.48 H new ATOM 0 HE22 GLN A 36 -9.539 2.696 -17.016 1.00 15.48 H new ATOM 474 N PRO A 37 -11.314 4.082 -11.868 1.00 11.14 N ATOM 475 CA PRO A 37 -11.324 4.916 -10.662 1.00 10.29 C ATOM 476 C PRO A 37 -12.659 5.628 -10.454 1.00 10.51 C ATOM 477 O PRO A 37 -13.184 5.678 -9.342 1.00 10.47 O ATOM 478 CB PRO A 37 -10.212 5.934 -10.921 1.00 10.16 C ATOM 479 CG PRO A 37 -9.294 5.259 -11.879 1.00 10.93 C ATOM 480 CD PRO A 37 -10.165 4.387 -12.740 1.00 11.63 C ATOM 0 HA PRO A 37 -11.176 4.322 -9.760 1.00 10.29 H new ATOM 0 HB2 PRO A 37 -10.611 6.858 -11.340 1.00 10.16 H new ATOM 0 HB3 PRO A 37 -9.696 6.199 -9.998 1.00 10.16 H new ATOM 0 HG2 PRO A 37 -8.754 5.989 -12.482 1.00 10.93 H new ATOM 0 HG3 PRO A 37 -8.547 4.666 -11.352 1.00 10.93 H new ATOM 0 HD2 PRO A 37 -10.476 4.903 -13.649 1.00 11.63 H new ATOM 0 HD3 PRO A 37 -9.645 3.481 -13.050 1.00 11.63 H new ATOM 488 N GLN A 38 -13.219 6.145 -11.541 1.00 10.92 N ATOM 489 CA GLN A 38 -14.485 6.869 -11.495 1.00 11.42 C ATOM 490 C GLN A 38 -15.659 5.942 -11.182 1.00 11.86 C ATOM 491 O GLN A 38 -16.718 6.402 -10.754 1.00 12.08 O ATOM 492 CB GLN A 38 -14.732 7.595 -12.819 1.00 12.31 C ATOM 493 CG GLN A 38 -13.640 8.590 -13.179 1.00 12.40 C ATOM 494 CD GLN A 38 -12.562 7.988 -14.063 1.00 12.97 C ATOM 495 OE1 GLN A 38 -12.298 6.787 -14.016 1.00 13.31 O ATOM 496 NE2 GLN A 38 -11.925 8.824 -14.862 1.00 13.23 N ATOM 0 H GLN A 38 -12.812 6.075 -12.474 1.00 10.92 H new ATOM 0 HA GLN A 38 -14.413 7.600 -10.690 1.00 11.42 H new ATOM 0 HB2 GLN A 38 -14.818 6.858 -13.617 1.00 12.31 H new ATOM 0 HB3 GLN A 38 -15.686 8.119 -12.764 1.00 12.31 H new ATOM 0 HG2 GLN A 38 -14.087 9.444 -13.689 1.00 12.40 H new ATOM 0 HG3 GLN A 38 -13.184 8.968 -12.264 1.00 12.40 H new ATOM 0 HE21 GLN A 38 -12.175 9.813 -14.870 1.00 13.23 H new ATOM 0 HE22 GLN A 38 -11.182 8.481 -15.471 1.00 13.23 H new ATOM 505 N GLU A 39 -15.472 4.643 -11.385 1.00 12.10 N ATOM 506 CA GLU A 39 -16.526 3.672 -11.112 1.00 12.60 C ATOM 507 C GLU A 39 -16.700 3.484 -9.609 1.00 12.14 C ATOM 508 O GLU A 39 -17.763 3.077 -9.141 1.00 12.03 O ATOM 509 CB GLU A 39 -16.215 2.326 -11.767 1.00 13.06 C ATOM 510 CG GLU A 39 -16.372 2.327 -13.278 1.00 14.17 C ATOM 511 CD GLU A 39 -16.309 0.931 -13.865 1.00 16.63 C ATOM 512 OE1 GLU A 39 -17.366 0.265 -13.936 1.00 17.34 O ATOM 513 OE2 GLU A 39 -15.206 0.487 -14.248 1.00 16.43 O ATOM 0 H GLU A 39 -14.604 4.238 -11.736 1.00 12.10 H new ATOM 0 HA GLU A 39 -17.453 4.058 -11.535 1.00 12.60 H new ATOM 0 HB2 GLU A 39 -15.193 2.039 -11.518 1.00 13.06 H new ATOM 0 HB3 GLU A 39 -16.872 1.566 -11.344 1.00 13.06 H new ATOM 0 HG2 GLU A 39 -17.325 2.787 -13.542 1.00 14.17 H new ATOM 0 HG3 GLU A 39 -15.588 2.941 -13.722 1.00 14.17 H new ATOM 520 N LEU A 40 -15.646 3.777 -8.859 1.00 12.04 N ATOM 521 CA LEU A 40 -15.683 3.651 -7.409 1.00 11.75 C ATOM 522 C LEU A 40 -16.065 4.981 -6.773 1.00 11.42 C ATOM 523 O LEU A 40 -16.648 5.022 -5.690 1.00 11.04 O ATOM 524 CB LEU A 40 -14.324 3.187 -6.864 1.00 11.89 C ATOM 525 CG LEU A 40 -13.968 1.716 -7.108 1.00 12.41 C ATOM 526 CD1 LEU A 40 -15.198 0.829 -6.980 1.00 12.70 C ATOM 527 CD2 LEU A 40 -13.313 1.543 -8.469 1.00 13.25 C ATOM 0 H LEU A 40 -14.754 4.104 -9.232 1.00 12.04 H new ATOM 0 HA LEU A 40 -16.433 2.902 -7.155 1.00 11.75 H new ATOM 0 HB2 LEU A 40 -13.546 3.807 -7.309 1.00 11.89 H new ATOM 0 HB3 LEU A 40 -14.304 3.372 -5.790 1.00 11.89 H new ATOM 0 HG LEU A 40 -13.254 1.408 -6.344 1.00 12.41 H new ATOM 0 HD11 LEU A 40 -14.918 -0.209 -7.158 1.00 12.70 H new ATOM 0 HD12 LEU A 40 -15.614 0.926 -5.977 1.00 12.70 H new ATOM 0 HD13 LEU A 40 -15.944 1.134 -7.713 1.00 12.70 H new ATOM 0 HD21 LEU A 40 -13.068 0.492 -8.624 1.00 13.25 H new ATOM 0 HD22 LEU A 40 -14.000 1.874 -9.248 1.00 13.25 H new ATOM 0 HD23 LEU A 40 -12.401 2.139 -8.512 1.00 13.25 H new ATOM 539 N LEU A 41 -15.729 6.070 -7.457 1.00 11.77 N ATOM 540 CA LEU A 41 -16.031 7.410 -6.970 1.00 11.76 C ATOM 541 C LEU A 41 -17.537 7.605 -6.821 1.00 12.25 C ATOM 542 O LEU A 41 -18.310 7.277 -7.725 1.00 12.72 O ATOM 543 CB LEU A 41 -15.465 8.471 -7.919 1.00 12.25 C ATOM 544 CG LEU A 41 -13.949 8.431 -8.122 1.00 12.23 C ATOM 545 CD1 LEU A 41 -13.517 9.483 -9.128 1.00 12.99 C ATOM 546 CD2 LEU A 41 -13.220 8.630 -6.803 1.00 11.79 C ATOM 0 H LEU A 41 -15.245 6.049 -8.355 1.00 11.77 H new ATOM 0 HA LEU A 41 -15.562 7.523 -5.992 1.00 11.76 H new ATOM 0 HB2 LEU A 41 -15.947 8.359 -8.890 1.00 12.25 H new ATOM 0 HB3 LEU A 41 -15.737 9.456 -7.539 1.00 12.25 H new ATOM 0 HG LEU A 41 -13.687 7.448 -8.513 1.00 12.23 H new ATOM 0 HD11 LEU A 41 -12.436 9.439 -9.259 1.00 12.99 H new ATOM 0 HD12 LEU A 41 -14.006 9.295 -10.084 1.00 12.99 H new ATOM 0 HD13 LEU A 41 -13.798 10.471 -8.765 1.00 12.99 H new ATOM 0 HD21 LEU A 41 -12.144 8.598 -6.974 1.00 11.79 H new ATOM 0 HD22 LEU A 41 -13.491 9.597 -6.380 1.00 11.79 H new ATOM 0 HD23 LEU A 41 -13.501 7.838 -6.109 1.00 11.79 H new ATOM 558 N GLY A 42 -17.944 8.128 -5.672 1.00 12.24 N ATOM 559 CA GLY A 42 -19.352 8.362 -5.417 1.00 12.82 C ATOM 560 C GLY A 42 -20.107 7.088 -5.093 1.00 13.07 C ATOM 561 O GLY A 42 -21.337 7.075 -5.079 1.00 13.39 O ATOM 0 H GLY A 42 -17.322 8.395 -4.909 1.00 12.24 H new ATOM 0 HA2 GLY A 42 -19.456 9.062 -4.588 1.00 12.82 H new ATOM 0 HA3 GLY A 42 -19.802 8.834 -6.290 1.00 12.82 H new ATOM 565 N LYS A 43 -19.374 6.011 -4.850 1.00 13.04 N ATOM 566 CA LYS A 43 -19.984 4.732 -4.521 1.00 13.33 C ATOM 567 C LYS A 43 -19.355 4.153 -3.264 1.00 12.82 C ATOM 568 O LYS A 43 -18.248 4.538 -2.879 1.00 13.01 O ATOM 569 CB LYS A 43 -19.833 3.750 -5.684 1.00 13.98 C ATOM 570 CG LYS A 43 -20.748 4.043 -6.866 1.00 15.04 C ATOM 571 CD LYS A 43 -22.136 3.445 -6.668 1.00 15.77 C ATOM 572 CE LYS A 43 -23.009 4.320 -5.779 1.00 16.37 C ATOM 573 NZ LYS A 43 -24.261 3.627 -5.378 1.00 16.87 N ATOM 0 H LYS A 43 -18.354 5.998 -4.875 1.00 13.04 H new ATOM 0 HA LYS A 43 -21.046 4.896 -4.339 1.00 13.33 H new ATOM 0 HB2 LYS A 43 -18.798 3.765 -6.026 1.00 13.98 H new ATOM 0 HB3 LYS A 43 -20.035 2.742 -5.323 1.00 13.98 H new ATOM 0 HG2 LYS A 43 -20.833 5.121 -7.002 1.00 15.04 H new ATOM 0 HG3 LYS A 43 -20.305 3.641 -7.777 1.00 15.04 H new ATOM 0 HD2 LYS A 43 -22.618 3.317 -7.637 1.00 15.77 H new ATOM 0 HD3 LYS A 43 -22.044 2.454 -6.224 1.00 15.77 H new ATOM 0 HE2 LYS A 43 -22.450 4.604 -4.888 1.00 16.37 H new ATOM 0 HE3 LYS A 43 -23.257 5.241 -6.307 1.00 16.37 H new ATOM 0 HZ1 LYS A 43 -24.547 3.947 -4.431 1.00 16.87 H new ATOM 0 HZ2 LYS A 43 -25.014 3.849 -6.060 1.00 16.87 H new ATOM 0 HZ3 LYS A 43 -24.099 2.600 -5.362 1.00 16.87 H new ATOM 587 N ASN A 44 -20.067 3.237 -2.623 1.00 12.28 N ATOM 588 CA ASN A 44 -19.579 2.603 -1.408 1.00 11.87 C ATOM 589 C ASN A 44 -18.875 1.300 -1.743 1.00 11.67 C ATOM 590 O ASN A 44 -19.343 0.526 -2.577 1.00 11.82 O ATOM 591 CB ASN A 44 -20.731 2.324 -0.434 1.00 11.97 C ATOM 592 CG ASN A 44 -21.423 3.584 0.046 1.00 12.28 C ATOM 593 OD1 ASN A 44 -22.289 4.128 -0.638 1.00 12.50 O ATOM 594 ND2 ASN A 44 -21.069 4.048 1.235 1.00 12.46 N ATOM 0 H ASN A 44 -20.987 2.916 -2.926 1.00 12.28 H new ATOM 0 HA ASN A 44 -18.875 3.286 -0.932 1.00 11.87 H new ATOM 0 HB2 ASN A 44 -21.462 1.678 -0.921 1.00 11.97 H new ATOM 0 HB3 ASN A 44 -20.346 1.777 0.427 1.00 11.97 H new ATOM 0 HD21 ASN A 44 -21.519 4.883 1.611 1.00 12.46 H new ATOM 0 HD22 ASN A 44 -20.347 3.571 1.774 1.00 12.46 H new ATOM 601 N ILE A 45 -17.752 1.059 -1.081 1.00 11.52 N ATOM 602 CA ILE A 45 -16.972 -0.156 -1.292 1.00 11.55 C ATOM 603 C ILE A 45 -17.793 -1.409 -0.964 1.00 11.53 C ATOM 604 O ILE A 45 -17.557 -2.482 -1.518 1.00 11.49 O ATOM 605 CB ILE A 45 -15.681 -0.131 -0.436 1.00 11.20 C ATOM 606 CG1 ILE A 45 -14.826 -1.375 -0.692 1.00 11.40 C ATOM 607 CG2 ILE A 45 -16.020 -0.008 1.044 1.00 11.02 C ATOM 608 CD1 ILE A 45 -13.468 -1.328 -0.024 1.00 11.72 C ATOM 0 H ILE A 45 -17.357 1.694 -0.387 1.00 11.52 H new ATOM 0 HA ILE A 45 -16.698 -0.193 -2.346 1.00 11.55 H new ATOM 0 HB ILE A 45 -15.100 0.743 -0.730 1.00 11.20 H new ATOM 0 HG12 ILE A 45 -15.365 -2.254 -0.339 1.00 11.40 H new ATOM 0 HG13 ILE A 45 -14.689 -1.496 -1.767 1.00 11.40 H new ATOM 0 HG21 ILE A 45 -15.100 0.008 1.628 1.00 11.02 H new ATOM 0 HG22 ILE A 45 -16.574 0.915 1.215 1.00 11.02 H new ATOM 0 HG23 ILE A 45 -16.629 -0.859 1.350 1.00 11.02 H new ATOM 0 HD11 ILE A 45 -12.919 -2.242 -0.250 1.00 11.72 H new ATOM 0 HD12 ILE A 45 -12.909 -0.469 -0.395 1.00 11.72 H new ATOM 0 HD13 ILE A 45 -13.596 -1.239 1.055 1.00 11.72 H new ATOM 620 N VAL A 46 -18.785 -1.253 -0.092 1.00 11.77 N ATOM 621 CA VAL A 46 -19.636 -2.364 0.319 1.00 11.99 C ATOM 622 C VAL A 46 -20.527 -2.845 -0.836 1.00 12.29 C ATOM 623 O VAL A 46 -20.997 -3.983 -0.838 1.00 12.37 O ATOM 624 CB VAL A 46 -20.501 -1.975 1.542 1.00 12.37 C ATOM 625 CG1 VAL A 46 -21.583 -0.973 1.162 1.00 12.89 C ATOM 626 CG2 VAL A 46 -21.107 -3.209 2.198 1.00 12.52 C ATOM 0 H VAL A 46 -19.020 -0.362 0.346 1.00 11.77 H new ATOM 0 HA VAL A 46 -18.982 -3.188 0.606 1.00 11.99 H new ATOM 0 HB VAL A 46 -19.846 -1.494 2.268 1.00 12.37 H new ATOM 0 HG11 VAL A 46 -22.172 -0.721 2.044 1.00 12.89 H new ATOM 0 HG12 VAL A 46 -21.119 -0.070 0.766 1.00 12.89 H new ATOM 0 HG13 VAL A 46 -22.233 -1.410 0.404 1.00 12.89 H new ATOM 0 HG21 VAL A 46 -21.710 -2.907 3.054 1.00 12.52 H new ATOM 0 HG22 VAL A 46 -21.736 -3.732 1.478 1.00 12.52 H new ATOM 0 HG23 VAL A 46 -20.309 -3.872 2.532 1.00 12.52 H new ATOM 636 N GLU A 47 -20.729 -1.986 -1.829 1.00 12.64 N ATOM 637 CA GLU A 47 -21.556 -2.330 -2.982 1.00 13.14 C ATOM 638 C GLU A 47 -20.789 -3.242 -3.933 1.00 12.83 C ATOM 639 O GLU A 47 -21.381 -3.993 -4.708 1.00 12.91 O ATOM 640 CB GLU A 47 -21.994 -1.067 -3.720 1.00 14.14 C ATOM 641 CG GLU A 47 -22.711 -0.063 -2.838 1.00 14.73 C ATOM 642 CD GLU A 47 -23.101 1.188 -3.593 1.00 15.67 C ATOM 643 OE1 GLU A 47 -23.966 1.102 -4.490 1.00 16.53 O ATOM 644 OE2 GLU A 47 -22.552 2.267 -3.296 1.00 15.65 O ATOM 0 H GLU A 47 -20.332 -1.047 -1.860 1.00 12.64 H new ATOM 0 HA GLU A 47 -22.441 -2.855 -2.623 1.00 13.14 H new ATOM 0 HB2 GLU A 47 -21.117 -0.591 -4.159 1.00 14.14 H new ATOM 0 HB3 GLU A 47 -22.650 -1.347 -4.544 1.00 14.14 H new ATOM 0 HG2 GLU A 47 -23.605 -0.525 -2.418 1.00 14.73 H new ATOM 0 HG3 GLU A 47 -22.068 0.206 -2.000 1.00 14.73 H new ATOM 651 N PHE A 48 -19.468 -3.174 -3.860 1.00 12.62 N ATOM 652 CA PHE A 48 -18.604 -3.984 -4.709 1.00 12.47 C ATOM 653 C PHE A 48 -17.976 -5.108 -3.892 1.00 11.91 C ATOM 654 O PHE A 48 -17.014 -5.749 -4.319 1.00 11.81 O ATOM 655 CB PHE A 48 -17.505 -3.115 -5.332 1.00 12.62 C ATOM 656 CG PHE A 48 -18.027 -1.963 -6.149 1.00 14.11 C ATOM 657 CD1 PHE A 48 -18.443 -0.789 -5.538 1.00 14.61 C ATOM 658 CD2 PHE A 48 -18.101 -2.054 -7.529 1.00 14.39 C ATOM 659 CE1 PHE A 48 -18.923 0.269 -6.288 1.00 15.34 C ATOM 660 CE2 PHE A 48 -18.580 -0.998 -8.284 1.00 15.13 C ATOM 661 CZ PHE A 48 -18.992 0.164 -7.663 1.00 14.85 C ATOM 0 H PHE A 48 -18.967 -2.561 -3.216 1.00 12.62 H new ATOM 0 HA PHE A 48 -19.205 -4.417 -5.508 1.00 12.47 H new ATOM 0 HB2 PHE A 48 -16.869 -2.725 -4.537 1.00 12.62 H new ATOM 0 HB3 PHE A 48 -16.876 -3.741 -5.965 1.00 12.62 H new ATOM 0 HD1 PHE A 48 -18.391 -0.700 -4.463 1.00 14.61 H new ATOM 0 HD2 PHE A 48 -17.781 -2.960 -8.022 1.00 14.39 H new ATOM 0 HE1 PHE A 48 -19.244 1.177 -5.799 1.00 15.34 H new ATOM 0 HE2 PHE A 48 -18.632 -1.083 -9.359 1.00 15.13 H new ATOM 0 HZ PHE A 48 -19.367 0.989 -8.251 1.00 14.85 H new ATOM 671 N CYS A 49 -18.538 -5.339 -2.715 1.00 11.77 N ATOM 672 CA CYS A 49 -18.045 -6.365 -1.815 1.00 11.49 C ATOM 673 C CYS A 49 -18.988 -7.561 -1.788 1.00 11.83 C ATOM 674 O CYS A 49 -20.198 -7.416 -1.971 1.00 11.97 O ATOM 675 CB CYS A 49 -17.885 -5.790 -0.402 1.00 11.25 C ATOM 676 SG CYS A 49 -17.532 -7.023 0.873 1.00 11.37 S ATOM 0 H CYS A 49 -19.343 -4.823 -2.361 1.00 11.77 H new ATOM 0 HA CYS A 49 -17.074 -6.702 -2.177 1.00 11.49 H new ATOM 0 HB2 CYS A 49 -17.080 -5.055 -0.411 1.00 11.25 H new ATOM 0 HB3 CYS A 49 -18.798 -5.259 -0.134 1.00 11.25 H new ATOM 0 HG CYS A 49 -16.274 -7.348 0.826 1.00 11.37 H new ATOM 682 N HIS A 50 -18.411 -8.743 -1.589 1.00 12.10 N ATOM 683 CA HIS A 50 -19.174 -9.983 -1.510 1.00 12.66 C ATOM 684 C HIS A 50 -20.204 -9.873 -0.388 1.00 12.75 C ATOM 685 O HIS A 50 -19.851 -9.517 0.732 1.00 12.20 O ATOM 686 CB HIS A 50 -18.210 -11.145 -1.251 1.00 13.24 C ATOM 687 CG HIS A 50 -18.787 -12.515 -1.459 1.00 13.78 C ATOM 688 ND1 HIS A 50 -18.558 -13.556 -0.587 1.00 14.15 N ATOM 689 CD2 HIS A 50 -19.551 -13.023 -2.454 1.00 14.13 C ATOM 690 CE1 HIS A 50 -19.153 -14.643 -1.037 1.00 14.67 C ATOM 691 NE2 HIS A 50 -19.763 -14.348 -2.168 1.00 14.65 N ATOM 0 H HIS A 50 -17.405 -8.867 -1.478 1.00 12.10 H new ATOM 0 HA HIS A 50 -19.701 -10.164 -2.447 1.00 12.66 H new ATOM 0 HB2 HIS A 50 -17.345 -11.030 -1.904 1.00 13.24 H new ATOM 0 HB3 HIS A 50 -17.847 -11.073 -0.226 1.00 13.24 H new ATOM 0 HD1 HIS A 50 -18.013 -13.495 0.273 1.00 14.15 H new ATOM 0 HD2 HIS A 50 -19.924 -12.485 -3.313 1.00 14.13 H new ATOM 0 HE1 HIS A 50 -19.143 -15.612 -0.560 1.00 14.67 H new ATOM 700 N PRO A 51 -21.485 -10.156 -0.683 1.00 13.57 N ATOM 701 CA PRO A 51 -22.581 -10.073 0.296 1.00 13.93 C ATOM 702 C PRO A 51 -22.253 -10.698 1.648 1.00 14.09 C ATOM 703 O PRO A 51 -22.403 -10.061 2.688 1.00 14.26 O ATOM 704 CB PRO A 51 -23.705 -10.846 -0.381 1.00 14.93 C ATOM 705 CG PRO A 51 -23.468 -10.658 -1.836 1.00 15.15 C ATOM 706 CD PRO A 51 -21.976 -10.567 -2.014 1.00 14.35 C ATOM 0 HA PRO A 51 -22.817 -9.036 0.534 1.00 13.93 H new ATOM 0 HB2 PRO A 51 -23.680 -11.901 -0.109 1.00 14.93 H new ATOM 0 HB3 PRO A 51 -24.682 -10.464 -0.086 1.00 14.93 H new ATOM 0 HG2 PRO A 51 -23.877 -11.491 -2.407 1.00 15.15 H new ATOM 0 HG3 PRO A 51 -23.958 -9.753 -2.196 1.00 15.15 H new ATOM 0 HD2 PRO A 51 -21.551 -11.523 -2.319 1.00 14.35 H new ATOM 0 HD3 PRO A 51 -21.709 -9.840 -2.781 1.00 14.35 H new ATOM 714 N GLU A 52 -21.794 -11.942 1.626 1.00 14.17 N ATOM 715 CA GLU A 52 -21.451 -12.665 2.847 1.00 14.44 C ATOM 716 C GLU A 52 -20.228 -12.070 3.551 1.00 13.87 C ATOM 717 O GLU A 52 -19.907 -12.453 4.675 1.00 14.17 O ATOM 718 CB GLU A 52 -21.194 -14.140 2.528 1.00 15.45 C ATOM 719 CG GLU A 52 -22.389 -14.849 1.914 1.00 16.21 C ATOM 720 CD GLU A 52 -22.344 -14.878 0.402 1.00 16.09 C ATOM 721 OE1 GLU A 52 -22.232 -13.802 -0.218 1.00 15.73 O ATOM 722 OE2 GLU A 52 -22.423 -15.983 -0.176 1.00 16.47 O ATOM 0 H GLU A 52 -21.649 -12.477 0.769 1.00 14.17 H new ATOM 0 HA GLU A 52 -22.299 -12.573 3.525 1.00 14.44 H new ATOM 0 HB2 GLU A 52 -20.349 -14.213 1.844 1.00 15.45 H new ATOM 0 HB3 GLU A 52 -20.908 -14.656 3.444 1.00 15.45 H new ATOM 0 HG2 GLU A 52 -22.432 -15.871 2.291 1.00 16.21 H new ATOM 0 HG3 GLU A 52 -23.304 -14.352 2.236 1.00 16.21 H new ATOM 729 N ASP A 53 -19.552 -11.137 2.898 1.00 13.16 N ATOM 730 CA ASP A 53 -18.370 -10.507 3.474 1.00 12.70 C ATOM 731 C ASP A 53 -18.614 -9.025 3.729 1.00 12.63 C ATOM 732 O ASP A 53 -17.748 -8.325 4.252 1.00 12.77 O ATOM 733 CB ASP A 53 -17.164 -10.675 2.546 1.00 12.21 C ATOM 734 CG ASP A 53 -16.729 -12.119 2.407 1.00 12.39 C ATOM 735 OD1 ASP A 53 -16.119 -12.657 3.354 1.00 11.90 O ATOM 736 OD2 ASP A 53 -16.995 -12.725 1.347 1.00 13.14 O ATOM 0 H ASP A 53 -19.800 -10.798 1.969 1.00 13.16 H new ATOM 0 HA ASP A 53 -18.161 -10.998 4.424 1.00 12.70 H new ATOM 0 HB2 ASP A 53 -17.411 -10.278 1.561 1.00 12.21 H new ATOM 0 HB3 ASP A 53 -16.332 -10.084 2.929 1.00 12.21 H new ATOM 741 N GLN A 54 -19.806 -8.555 3.371 1.00 12.56 N ATOM 742 CA GLN A 54 -20.167 -7.150 3.549 1.00 12.69 C ATOM 743 C GLN A 54 -20.156 -6.763 5.024 1.00 12.06 C ATOM 744 O GLN A 54 -19.607 -5.723 5.396 1.00 11.70 O ATOM 745 CB GLN A 54 -21.538 -6.870 2.930 1.00 13.60 C ATOM 746 CG GLN A 54 -21.500 -6.720 1.418 1.00 14.35 C ATOM 747 CD GLN A 54 -22.880 -6.668 0.791 1.00 15.27 C ATOM 748 OE1 GLN A 54 -23.825 -7.287 1.282 1.00 15.83 O ATOM 749 NE2 GLN A 54 -23.005 -5.925 -0.296 1.00 15.52 N ATOM 0 H GLN A 54 -20.540 -9.128 2.955 1.00 12.56 H new ATOM 0 HA GLN A 54 -19.422 -6.541 3.037 1.00 12.69 H new ATOM 0 HB2 GLN A 54 -22.218 -7.681 3.190 1.00 13.60 H new ATOM 0 HB3 GLN A 54 -21.947 -5.959 3.368 1.00 13.60 H new ATOM 0 HG2 GLN A 54 -20.957 -5.810 1.163 1.00 14.35 H new ATOM 0 HG3 GLN A 54 -20.944 -7.554 0.990 1.00 14.35 H new ATOM 0 HE21 GLN A 54 -22.196 -5.428 -0.670 1.00 15.52 H new ATOM 0 HE22 GLN A 54 -23.910 -5.849 -0.760 1.00 15.52 H new ATOM 758 N GLN A 55 -20.758 -7.599 5.864 1.00 12.07 N ATOM 759 CA GLN A 55 -20.788 -7.342 7.299 1.00 11.64 C ATOM 760 C GLN A 55 -19.369 -7.350 7.850 1.00 11.18 C ATOM 761 O GLN A 55 -19.018 -6.542 8.710 1.00 11.47 O ATOM 762 CB GLN A 55 -21.650 -8.388 8.017 1.00 12.30 C ATOM 763 CG GLN A 55 -21.660 -8.248 9.531 1.00 13.09 C ATOM 764 CD GLN A 55 -22.031 -6.853 10.001 1.00 13.56 C ATOM 765 OE1 GLN A 55 -22.834 -6.158 9.373 1.00 13.71 O ATOM 766 NE2 GLN A 55 -21.443 -6.434 11.110 1.00 13.94 N ATOM 0 H GLN A 55 -21.230 -8.457 5.577 1.00 12.07 H new ATOM 0 HA GLN A 55 -21.232 -6.362 7.474 1.00 11.64 H new ATOM 0 HB2 GLN A 55 -22.673 -8.315 7.649 1.00 12.30 H new ATOM 0 HB3 GLN A 55 -21.288 -9.383 7.757 1.00 12.30 H new ATOM 0 HG2 GLN A 55 -22.365 -8.965 9.951 1.00 13.09 H new ATOM 0 HG3 GLN A 55 -20.675 -8.505 9.920 1.00 13.09 H new ATOM 0 HE21 GLN A 55 -20.785 -7.041 11.599 1.00 13.94 H new ATOM 0 HE22 GLN A 55 -21.648 -5.504 11.476 1.00 13.94 H new ATOM 775 N LEU A 56 -18.554 -8.258 7.325 1.00 10.67 N ATOM 776 CA LEU A 56 -17.163 -8.373 7.733 1.00 10.41 C ATOM 777 C LEU A 56 -16.420 -7.082 7.414 1.00 9.74 C ATOM 778 O LEU A 56 -15.646 -6.580 8.232 1.00 10.08 O ATOM 779 CB LEU A 56 -16.497 -9.557 7.024 1.00 10.70 C ATOM 780 CG LEU A 56 -14.983 -9.673 7.213 1.00 11.52 C ATOM 781 CD1 LEU A 56 -14.647 -10.064 8.644 1.00 12.11 C ATOM 782 CD2 LEU A 56 -14.406 -10.684 6.234 1.00 11.94 C ATOM 0 H LEU A 56 -18.838 -8.929 6.611 1.00 10.67 H new ATOM 0 HA LEU A 56 -17.124 -8.547 8.808 1.00 10.41 H new ATOM 0 HB2 LEU A 56 -16.961 -10.477 7.378 1.00 10.70 H new ATOM 0 HB3 LEU A 56 -16.708 -9.484 5.957 1.00 10.70 H new ATOM 0 HG LEU A 56 -14.535 -8.700 7.013 1.00 11.52 H new ATOM 0 HD11 LEU A 56 -13.565 -10.141 8.756 1.00 12.11 H new ATOM 0 HD12 LEU A 56 -15.030 -9.306 9.328 1.00 12.11 H new ATOM 0 HD13 LEU A 56 -15.105 -11.026 8.875 1.00 12.11 H new ATOM 0 HD21 LEU A 56 -13.328 -10.757 6.379 1.00 11.94 H new ATOM 0 HD22 LEU A 56 -14.862 -11.659 6.407 1.00 11.94 H new ATOM 0 HD23 LEU A 56 -14.614 -10.362 5.214 1.00 11.94 H new ATOM 794 N LEU A 57 -16.676 -6.547 6.227 1.00 9.01 N ATOM 795 CA LEU A 57 -16.048 -5.310 5.792 1.00 8.57 C ATOM 796 C LEU A 57 -16.472 -4.147 6.684 1.00 8.01 C ATOM 797 O LEU A 57 -15.628 -3.430 7.221 1.00 7.76 O ATOM 798 CB LEU A 57 -16.419 -5.006 4.337 1.00 8.96 C ATOM 799 CG LEU A 57 -15.241 -4.760 3.393 1.00 9.22 C ATOM 800 CD1 LEU A 57 -15.707 -4.019 2.151 1.00 9.38 C ATOM 801 CD2 LEU A 57 -14.134 -3.986 4.092 1.00 9.71 C ATOM 0 H LEU A 57 -17.318 -6.954 5.547 1.00 9.01 H new ATOM 0 HA LEU A 57 -14.968 -5.435 5.867 1.00 8.57 H new ATOM 0 HB2 LEU A 57 -17.005 -5.839 3.949 1.00 8.96 H new ATOM 0 HB3 LEU A 57 -17.064 -4.127 4.321 1.00 8.96 H new ATOM 0 HG LEU A 57 -14.837 -5.727 3.093 1.00 9.22 H new ATOM 0 HD11 LEU A 57 -14.858 -3.851 1.488 1.00 9.38 H new ATOM 0 HD12 LEU A 57 -16.460 -4.614 1.633 1.00 9.38 H new ATOM 0 HD13 LEU A 57 -16.138 -3.060 2.440 1.00 9.38 H new ATOM 0 HD21 LEU A 57 -13.309 -3.825 3.398 1.00 9.71 H new ATOM 0 HD22 LEU A 57 -14.519 -3.023 4.428 1.00 9.71 H new ATOM 0 HD23 LEU A 57 -13.779 -4.555 4.952 1.00 9.71 H new ATOM 813 N ARG A 58 -17.781 -3.977 6.849 1.00 8.00 N ATOM 814 CA ARG A 58 -18.318 -2.895 7.666 1.00 7.77 C ATOM 815 C ARG A 58 -17.799 -2.969 9.097 1.00 7.79 C ATOM 816 O ARG A 58 -17.365 -1.962 9.656 1.00 7.99 O ATOM 817 CB ARG A 58 -19.849 -2.921 7.663 1.00 8.25 C ATOM 818 CG ARG A 58 -20.472 -1.899 8.602 1.00 8.49 C ATOM 819 CD ARG A 58 -21.966 -1.764 8.371 1.00 9.14 C ATOM 820 NE ARG A 58 -22.630 -1.060 9.470 1.00 9.67 N ATOM 821 CZ ARG A 58 -23.855 -1.351 9.902 1.00 10.46 C ATOM 822 NH1 ARG A 58 -24.578 -2.280 9.283 1.00 10.80 N ATOM 823 NH2 ARG A 58 -24.370 -0.705 10.940 1.00 11.06 N ATOM 0 H ARG A 58 -18.490 -4.576 6.426 1.00 8.00 H new ATOM 0 HA ARG A 58 -17.980 -1.956 7.228 1.00 7.77 H new ATOM 0 HB2 ARG A 58 -20.206 -2.738 6.650 1.00 8.25 H new ATOM 0 HB3 ARG A 58 -20.189 -3.917 7.945 1.00 8.25 H new ATOM 0 HG2 ARG A 58 -20.288 -2.194 9.635 1.00 8.49 H new ATOM 0 HG3 ARG A 58 -19.992 -0.931 8.457 1.00 8.49 H new ATOM 0 HD2 ARG A 58 -22.142 -1.228 7.438 1.00 9.14 H new ATOM 0 HD3 ARG A 58 -22.406 -2.755 8.257 1.00 9.14 H new ATOM 0 HE ARG A 58 -22.125 -0.303 9.931 1.00 9.67 H new ATOM 0 HH11 ARG A 58 -24.194 -2.771 8.476 1.00 10.80 H new ATOM 0 HH12 ARG A 58 -25.516 -2.501 9.616 1.00 10.80 H new ATOM 0 HH21 ARG A 58 -23.827 0.019 11.411 1.00 11.06 H new ATOM 0 HH22 ARG A 58 -25.309 -0.932 11.267 1.00 11.06 H new ATOM 837 N ASP A 59 -17.829 -4.161 9.682 1.00 7.90 N ATOM 838 CA ASP A 59 -17.361 -4.344 11.051 1.00 8.29 C ATOM 839 C ASP A 59 -15.885 -3.989 11.173 1.00 8.20 C ATOM 840 O ASP A 59 -15.488 -3.277 12.095 1.00 8.39 O ATOM 841 CB ASP A 59 -17.591 -5.777 11.524 1.00 8.86 C ATOM 842 CG ASP A 59 -17.132 -5.981 12.954 1.00 9.31 C ATOM 843 OD1 ASP A 59 -17.789 -5.454 13.879 1.00 9.71 O ATOM 844 OD2 ASP A 59 -16.111 -6.666 13.161 1.00 9.46 O ATOM 0 H ASP A 59 -18.170 -5.011 9.233 1.00 7.90 H new ATOM 0 HA ASP A 59 -17.937 -3.672 11.687 1.00 8.29 H new ATOM 0 HB2 ASP A 59 -18.651 -6.020 11.445 1.00 8.86 H new ATOM 0 HB3 ASP A 59 -17.057 -6.465 10.869 1.00 8.86 H new ATOM 849 N SER A 60 -15.083 -4.470 10.230 1.00 8.16 N ATOM 850 CA SER A 60 -13.653 -4.196 10.233 1.00 8.37 C ATOM 851 C SER A 60 -13.393 -2.701 10.059 1.00 8.73 C ATOM 852 O SER A 60 -12.483 -2.140 10.672 1.00 9.52 O ATOM 853 CB SER A 60 -12.962 -4.993 9.127 1.00 8.66 C ATOM 854 OG SER A 60 -13.198 -6.384 9.283 1.00 8.89 O ATOM 0 H SER A 60 -15.400 -5.051 9.454 1.00 8.16 H new ATOM 0 HA SER A 60 -13.241 -4.504 11.194 1.00 8.37 H new ATOM 0 HB2 SER A 60 -13.327 -4.665 8.154 1.00 8.66 H new ATOM 0 HB3 SER A 60 -11.890 -4.797 9.147 1.00 8.66 H new ATOM 0 HG SER A 60 -13.991 -6.641 8.768 1.00 8.89 H new ATOM 860 N PHE A 61 -14.207 -2.059 9.229 1.00 8.33 N ATOM 861 CA PHE A 61 -14.081 -0.627 8.995 1.00 8.80 C ATOM 862 C PHE A 61 -14.344 0.135 10.283 1.00 8.83 C ATOM 863 O PHE A 61 -13.699 1.138 10.565 1.00 9.18 O ATOM 864 CB PHE A 61 -15.052 -0.168 7.905 1.00 9.15 C ATOM 865 CG PHE A 61 -14.481 -0.236 6.516 1.00 9.81 C ATOM 866 CD1 PHE A 61 -13.203 -0.730 6.296 1.00 10.30 C ATOM 867 CD2 PHE A 61 -15.222 0.198 5.431 1.00 10.14 C ATOM 868 CE1 PHE A 61 -12.679 -0.790 5.019 1.00 11.11 C ATOM 869 CE2 PHE A 61 -14.703 0.140 4.153 1.00 10.92 C ATOM 870 CZ PHE A 61 -13.429 -0.353 3.946 1.00 11.40 C ATOM 0 H PHE A 61 -14.960 -2.508 8.708 1.00 8.33 H new ATOM 0 HA PHE A 61 -13.065 -0.420 8.659 1.00 8.80 H new ATOM 0 HB2 PHE A 61 -15.950 -0.784 7.949 1.00 9.15 H new ATOM 0 HB3 PHE A 61 -15.358 0.857 8.112 1.00 9.15 H new ATOM 0 HD1 PHE A 61 -12.611 -1.071 7.132 1.00 10.30 H new ATOM 0 HD2 PHE A 61 -16.218 0.587 5.586 1.00 10.14 H new ATOM 0 HE1 PHE A 61 -11.684 -1.178 4.861 1.00 11.11 H new ATOM 0 HE2 PHE A 61 -15.293 0.480 3.315 1.00 10.92 H new ATOM 0 HZ PHE A 61 -13.021 -0.396 2.947 1.00 11.40 H new ATOM 880 N GLN A 62 -15.292 -0.353 11.067 1.00 8.73 N ATOM 881 CA GLN A 62 -15.619 0.275 12.336 1.00 9.08 C ATOM 882 C GLN A 62 -14.518 -0.006 13.354 1.00 9.26 C ATOM 883 O GLN A 62 -14.219 0.827 14.210 1.00 9.50 O ATOM 884 CB GLN A 62 -16.966 -0.232 12.852 1.00 9.51 C ATOM 885 CG GLN A 62 -18.138 0.121 11.948 1.00 9.32 C ATOM 886 CD GLN A 62 -18.318 1.618 11.761 1.00 9.53 C ATOM 887 OE1 GLN A 62 -18.067 2.390 12.810 1.00 9.42 O flip ATOM 888 NE2 GLN A 62 -18.705 2.076 10.685 1.00 10.04 N flip ATOM 0 H GLN A 62 -15.847 -1.180 10.847 1.00 8.73 H new ATOM 0 HA GLN A 62 -15.694 1.352 12.187 1.00 9.08 H new ATOM 0 HB2 GLN A 62 -16.918 -1.315 12.964 1.00 9.51 H new ATOM 0 HB3 GLN A 62 -17.145 0.183 13.844 1.00 9.51 H new ATOM 0 HG2 GLN A 62 -17.991 -0.345 10.974 1.00 9.32 H new ATOM 0 HG3 GLN A 62 -19.052 -0.299 12.368 1.00 9.32 H new ATOM 0 HE21 GLN A 62 -18.888 1.450 9.901 1.00 10.04 H new ATOM 0 HE22 GLN A 62 -18.843 3.081 10.579 1.00 10.04 H new ATOM 897 N GLN A 63 -13.908 -1.184 13.240 1.00 9.36 N ATOM 898 CA GLN A 63 -12.832 -1.589 14.137 1.00 9.71 C ATOM 899 C GLN A 63 -11.622 -0.668 13.991 1.00 10.03 C ATOM 900 O GLN A 63 -11.050 -0.223 14.986 1.00 10.60 O ATOM 901 CB GLN A 63 -12.402 -3.032 13.860 1.00 9.50 C ATOM 902 CG GLN A 63 -13.418 -4.084 14.272 1.00 9.75 C ATOM 903 CD GLN A 63 -12.794 -5.463 14.385 1.00 9.97 C ATOM 904 OE1 GLN A 63 -11.625 -5.597 14.749 1.00 10.06 O ATOM 905 NE2 GLN A 63 -13.560 -6.496 14.067 1.00 10.30 N ATOM 0 H GLN A 63 -14.144 -1.877 12.530 1.00 9.36 H new ATOM 0 HA GLN A 63 -13.215 -1.518 15.155 1.00 9.71 H new ATOM 0 HB2 GLN A 63 -12.199 -3.139 12.794 1.00 9.50 H new ATOM 0 HB3 GLN A 63 -11.466 -3.225 14.383 1.00 9.50 H new ATOM 0 HG2 GLN A 63 -13.860 -3.806 15.229 1.00 9.75 H new ATOM 0 HG3 GLN A 63 -14.228 -4.111 13.543 1.00 9.75 H new ATOM 0 HE21 GLN A 63 -14.524 -6.344 13.770 1.00 10.30 H new ATOM 0 HE22 GLN A 63 -13.186 -7.444 14.119 1.00 10.30 H new ATOM 914 N VAL A 64 -11.245 -0.372 12.746 1.00 9.80 N ATOM 915 CA VAL A 64 -10.090 0.487 12.483 1.00 10.18 C ATOM 916 C VAL A 64 -10.328 1.914 12.982 1.00 10.37 C ATOM 917 O VAL A 64 -9.377 2.640 13.289 1.00 10.25 O ATOM 918 CB VAL A 64 -9.707 0.500 10.981 1.00 10.36 C ATOM 919 CG1 VAL A 64 -10.680 1.327 10.156 1.00 10.34 C ATOM 920 CG2 VAL A 64 -8.284 1.005 10.797 1.00 10.62 C ATOM 0 H VAL A 64 -11.719 -0.712 11.909 1.00 9.80 H new ATOM 0 HA VAL A 64 -9.253 0.063 13.038 1.00 10.18 H new ATOM 0 HB VAL A 64 -9.764 -0.527 10.620 1.00 10.36 H new ATOM 0 HG11 VAL A 64 -10.376 1.310 9.110 1.00 10.34 H new ATOM 0 HG12 VAL A 64 -11.682 0.909 10.249 1.00 10.34 H new ATOM 0 HG13 VAL A 64 -10.681 2.355 10.517 1.00 10.34 H new ATOM 0 HG21 VAL A 64 -8.033 1.007 9.736 1.00 10.62 H new ATOM 0 HG22 VAL A 64 -8.204 2.018 11.191 1.00 10.62 H new ATOM 0 HG23 VAL A 64 -7.594 0.352 11.332 1.00 10.62 H new ATOM 930 N VAL A 65 -11.595 2.312 13.072 1.00 10.88 N ATOM 931 CA VAL A 65 -11.947 3.641 13.559 1.00 11.34 C ATOM 932 C VAL A 65 -11.672 3.721 15.058 1.00 11.77 C ATOM 933 O VAL A 65 -11.284 4.766 15.582 1.00 11.90 O ATOM 934 CB VAL A 65 -13.431 3.977 13.274 1.00 11.81 C ATOM 935 CG1 VAL A 65 -13.829 5.305 13.902 1.00 12.41 C ATOM 936 CG2 VAL A 65 -13.694 4.001 11.777 1.00 11.68 C ATOM 0 H VAL A 65 -12.394 1.733 12.814 1.00 10.88 H new ATOM 0 HA VAL A 65 -11.335 4.372 13.030 1.00 11.34 H new ATOM 0 HB VAL A 65 -14.041 3.195 13.726 1.00 11.81 H new ATOM 0 HG11 VAL A 65 -14.877 5.511 13.683 1.00 12.41 H new ATOM 0 HG12 VAL A 65 -13.687 5.254 14.981 1.00 12.41 H new ATOM 0 HG13 VAL A 65 -13.209 6.102 13.492 1.00 12.41 H new ATOM 0 HG21 VAL A 65 -14.742 4.239 11.595 1.00 11.68 H new ATOM 0 HG22 VAL A 65 -13.064 4.757 11.309 1.00 11.68 H new ATOM 0 HG23 VAL A 65 -13.465 3.024 11.352 1.00 11.68 H new ATOM 946 N LYS A 66 -11.851 2.592 15.731 1.00 12.17 N ATOM 947 CA LYS A 66 -11.620 2.505 17.165 1.00 12.79 C ATOM 948 C LYS A 66 -10.135 2.295 17.449 1.00 12.52 C ATOM 949 O LYS A 66 -9.666 2.513 18.567 1.00 12.98 O ATOM 950 CB LYS A 66 -12.439 1.355 17.760 1.00 13.48 C ATOM 951 CG LYS A 66 -13.929 1.472 17.483 1.00 14.09 C ATOM 952 CD LYS A 66 -14.613 0.116 17.488 1.00 14.62 C ATOM 953 CE LYS A 66 -14.964 -0.339 18.895 1.00 15.63 C ATOM 954 NZ LYS A 66 -15.673 -1.645 18.888 1.00 16.25 N ATOM 0 H LYS A 66 -12.158 1.719 15.302 1.00 12.17 H new ATOM 0 HA LYS A 66 -11.935 3.440 17.629 1.00 12.79 H new ATOM 0 HB2 LYS A 66 -12.074 0.411 17.355 1.00 13.48 H new ATOM 0 HB3 LYS A 66 -12.278 1.323 18.838 1.00 13.48 H new ATOM 0 HG2 LYS A 66 -14.389 2.114 18.235 1.00 14.09 H new ATOM 0 HG3 LYS A 66 -14.082 1.953 16.517 1.00 14.09 H new ATOM 0 HD2 LYS A 66 -15.520 0.165 16.886 1.00 14.62 H new ATOM 0 HD3 LYS A 66 -13.960 -0.621 17.021 1.00 14.62 H new ATOM 0 HE2 LYS A 66 -14.054 -0.422 19.489 1.00 15.63 H new ATOM 0 HE3 LYS A 66 -15.590 0.413 19.375 1.00 15.63 H new ATOM 0 HZ1 LYS A 66 -15.897 -1.924 19.865 1.00 16.25 H new ATOM 0 HZ2 LYS A 66 -16.554 -1.559 18.342 1.00 16.25 H new ATOM 0 HZ3 LYS A 66 -15.065 -2.368 18.452 1.00 16.25 H new ATOM 968 N LEU A 67 -9.403 1.858 16.430 1.00 11.90 N ATOM 969 CA LEU A 67 -7.969 1.630 16.556 1.00 11.71 C ATOM 970 C LEU A 67 -7.216 2.940 16.370 1.00 11.44 C ATOM 971 O LEU A 67 -6.424 3.331 17.228 1.00 11.79 O ATOM 972 CB LEU A 67 -7.491 0.598 15.529 1.00 11.29 C ATOM 973 CG LEU A 67 -7.994 -0.828 15.756 1.00 11.71 C ATOM 974 CD1 LEU A 67 -7.556 -1.735 14.619 1.00 11.30 C ATOM 975 CD2 LEU A 67 -7.491 -1.361 17.088 1.00 12.66 C ATOM 0 H LEU A 67 -9.781 1.654 15.505 1.00 11.90 H new ATOM 0 HA LEU A 67 -7.768 1.240 17.554 1.00 11.71 H new ATOM 0 HB2 LEU A 67 -7.805 0.923 14.537 1.00 11.29 H new ATOM 0 HB3 LEU A 67 -6.401 0.586 15.530 1.00 11.29 H new ATOM 0 HG LEU A 67 -9.084 -0.811 15.780 1.00 11.71 H new ATOM 0 HD11 LEU A 67 -7.923 -2.746 14.798 1.00 11.30 H new ATOM 0 HD12 LEU A 67 -7.963 -1.362 13.679 1.00 11.30 H new ATOM 0 HD13 LEU A 67 -6.468 -1.749 14.563 1.00 11.30 H new ATOM 0 HD21 LEU A 67 -7.857 -2.377 17.235 1.00 12.66 H new ATOM 0 HD22 LEU A 67 -6.401 -1.365 17.090 1.00 12.66 H new ATOM 0 HD23 LEU A 67 -7.853 -0.724 17.895 1.00 12.66 H new ATOM 987 N LYS A 68 -7.483 3.605 15.246 1.00 11.01 N ATOM 988 CA LYS A 68 -6.864 4.892 14.919 1.00 10.94 C ATOM 989 C LYS A 68 -5.341 4.804 14.797 1.00 10.41 C ATOM 990 O LYS A 68 -4.619 4.899 15.790 1.00 10.69 O ATOM 991 CB LYS A 68 -7.223 5.941 15.973 1.00 11.97 C ATOM 992 CG LYS A 68 -8.401 6.825 15.609 1.00 12.39 C ATOM 993 CD LYS A 68 -8.545 7.962 16.607 1.00 13.41 C ATOM 994 CE LYS A 68 -9.626 8.944 16.197 1.00 13.95 C ATOM 995 NZ LYS A 68 -9.752 10.059 17.169 1.00 14.83 N ATOM 0 H LYS A 68 -8.134 3.268 14.536 1.00 11.01 H new ATOM 0 HA LYS A 68 -7.259 5.184 13.946 1.00 10.94 H new ATOM 0 HB2 LYS A 68 -7.443 5.433 16.912 1.00 11.97 H new ATOM 0 HB3 LYS A 68 -6.352 6.573 16.149 1.00 11.97 H new ATOM 0 HG2 LYS A 68 -8.263 7.229 14.606 1.00 12.39 H new ATOM 0 HG3 LYS A 68 -9.315 6.232 15.591 1.00 12.39 H new ATOM 0 HD2 LYS A 68 -8.780 7.554 17.590 1.00 13.41 H new ATOM 0 HD3 LYS A 68 -7.594 8.487 16.698 1.00 13.41 H new ATOM 0 HE2 LYS A 68 -9.397 9.346 15.210 1.00 13.95 H new ATOM 0 HE3 LYS A 68 -10.580 8.422 16.116 1.00 13.95 H new ATOM 0 HZ1 LYS A 68 -9.974 10.939 16.661 1.00 14.83 H new ATOM 0 HZ2 LYS A 68 -10.514 9.847 17.844 1.00 14.83 H new ATOM 0 HZ3 LYS A 68 -8.856 10.174 17.684 1.00 14.83 H new ATOM 1009 N GLY A 69 -4.858 4.629 13.575 1.00 9.80 N ATOM 1010 CA GLY A 69 -3.422 4.571 13.352 1.00 9.42 C ATOM 1011 C GLY A 69 -2.910 3.183 13.036 1.00 9.15 C ATOM 1012 O GLY A 69 -1.866 3.031 12.401 1.00 9.55 O ATOM 0 H GLY A 69 -5.429 4.526 12.736 1.00 9.80 H new ATOM 0 HA2 GLY A 69 -3.164 5.239 12.531 1.00 9.42 H new ATOM 0 HA3 GLY A 69 -2.910 4.944 14.239 1.00 9.42 H new ATOM 1016 N GLN A 70 -3.627 2.170 13.488 1.00 8.62 N ATOM 1017 CA GLN A 70 -3.225 0.796 13.237 1.00 8.50 C ATOM 1018 C GLN A 70 -3.847 0.296 11.941 1.00 7.86 C ATOM 1019 O GLN A 70 -5.048 0.463 11.714 1.00 7.96 O ATOM 1020 CB GLN A 70 -3.620 -0.105 14.408 1.00 8.66 C ATOM 1021 CG GLN A 70 -3.005 -1.498 14.339 1.00 9.04 C ATOM 1022 CD GLN A 70 -1.507 -1.470 14.079 1.00 8.99 C ATOM 1023 OE1 GLN A 70 -1.059 -1.549 12.933 1.00 8.60 O ATOM 1024 NE2 GLN A 70 -0.725 -1.350 15.137 1.00 9.59 N ATOM 0 H GLN A 70 -4.486 2.271 14.028 1.00 8.62 H new ATOM 0 HA GLN A 70 -2.140 0.764 13.137 1.00 8.50 H new ATOM 0 HB2 GLN A 70 -3.317 0.371 15.341 1.00 8.66 H new ATOM 0 HB3 GLN A 70 -4.706 -0.197 14.435 1.00 8.66 H new ATOM 0 HG2 GLN A 70 -3.197 -2.021 15.276 1.00 9.04 H new ATOM 0 HG3 GLN A 70 -3.495 -2.068 13.550 1.00 9.04 H new ATOM 0 HE21 GLN A 70 -1.134 -1.287 16.069 1.00 9.59 H new ATOM 0 HE22 GLN A 70 0.288 -1.320 15.022 1.00 9.59 H new ATOM 1033 N VAL A 71 -3.023 -0.305 11.093 1.00 7.44 N ATOM 1034 CA VAL A 71 -3.484 -0.823 9.817 1.00 7.11 C ATOM 1035 C VAL A 71 -4.220 -2.149 10.012 1.00 6.68 C ATOM 1036 O VAL A 71 -3.632 -3.154 10.423 1.00 6.65 O ATOM 1037 CB VAL A 71 -2.315 -0.993 8.811 1.00 7.45 C ATOM 1038 CG1 VAL A 71 -1.175 -1.812 9.407 1.00 8.10 C ATOM 1039 CG2 VAL A 71 -2.807 -1.616 7.513 1.00 7.17 C ATOM 0 H VAL A 71 -2.028 -0.445 11.269 1.00 7.44 H new ATOM 0 HA VAL A 71 -4.177 -0.094 9.396 1.00 7.11 H new ATOM 0 HB VAL A 71 -1.924 0.000 8.590 1.00 7.45 H new ATOM 0 HG11 VAL A 71 -0.375 -1.910 8.673 1.00 8.10 H new ATOM 0 HG12 VAL A 71 -0.793 -1.310 10.296 1.00 8.10 H new ATOM 0 HG13 VAL A 71 -1.541 -2.802 9.678 1.00 8.10 H new ATOM 0 HG21 VAL A 71 -1.971 -1.726 6.822 1.00 7.17 H new ATOM 0 HG22 VAL A 71 -3.238 -2.596 7.720 1.00 7.17 H new ATOM 0 HG23 VAL A 71 -3.565 -0.973 7.065 1.00 7.17 H new ATOM 1049 N LEU A 72 -5.516 -2.138 9.748 1.00 6.60 N ATOM 1050 CA LEU A 72 -6.325 -3.334 9.895 1.00 6.50 C ATOM 1051 C LEU A 72 -6.600 -3.965 8.537 1.00 6.09 C ATOM 1052 O LEU A 72 -7.460 -3.505 7.784 1.00 5.82 O ATOM 1053 CB LEU A 72 -7.641 -3.015 10.607 1.00 6.93 C ATOM 1054 CG LEU A 72 -8.477 -4.236 10.998 1.00 7.33 C ATOM 1055 CD1 LEU A 72 -7.708 -5.115 11.972 1.00 7.61 C ATOM 1056 CD2 LEU A 72 -9.802 -3.805 11.603 1.00 7.80 C ATOM 0 H LEU A 72 -6.029 -1.315 9.431 1.00 6.60 H new ATOM 0 HA LEU A 72 -5.768 -4.046 10.503 1.00 6.50 H new ATOM 0 HB2 LEU A 72 -7.420 -2.441 11.507 1.00 6.93 H new ATOM 0 HB3 LEU A 72 -8.241 -2.375 9.960 1.00 6.93 H new ATOM 0 HG LEU A 72 -8.683 -4.815 10.098 1.00 7.33 H new ATOM 0 HD11 LEU A 72 -8.316 -5.979 12.240 1.00 7.61 H new ATOM 0 HD12 LEU A 72 -6.783 -5.453 11.505 1.00 7.61 H new ATOM 0 HD13 LEU A 72 -7.473 -4.544 12.870 1.00 7.61 H new ATOM 0 HD21 LEU A 72 -10.382 -4.687 11.874 1.00 7.80 H new ATOM 0 HD22 LEU A 72 -9.617 -3.204 12.493 1.00 7.80 H new ATOM 0 HD23 LEU A 72 -10.359 -3.214 10.876 1.00 7.80 H new ATOM 1068 N SER A 73 -5.841 -4.999 8.224 1.00 6.37 N ATOM 1069 CA SER A 73 -5.988 -5.714 6.972 1.00 6.44 C ATOM 1070 C SER A 73 -7.134 -6.721 7.066 1.00 6.58 C ATOM 1071 O SER A 73 -7.076 -7.662 7.858 1.00 7.12 O ATOM 1072 CB SER A 73 -4.676 -6.424 6.641 1.00 7.06 C ATOM 1073 OG SER A 73 -3.773 -6.344 7.738 1.00 7.59 O ATOM 0 H SER A 73 -5.107 -5.365 8.830 1.00 6.37 H new ATOM 0 HA SER A 73 -6.224 -5.007 6.177 1.00 6.44 H new ATOM 0 HB2 SER A 73 -4.872 -7.469 6.400 1.00 7.06 H new ATOM 0 HB3 SER A 73 -4.225 -5.972 5.758 1.00 7.06 H new ATOM 0 HG SER A 73 -2.939 -6.805 7.509 1.00 7.59 H new ATOM 1079 N VAL A 74 -8.177 -6.501 6.282 1.00 6.36 N ATOM 1080 CA VAL A 74 -9.328 -7.390 6.268 1.00 6.77 C ATOM 1081 C VAL A 74 -9.375 -8.170 4.956 1.00 6.50 C ATOM 1082 O VAL A 74 -9.374 -7.586 3.873 1.00 6.07 O ATOM 1083 CB VAL A 74 -10.654 -6.617 6.488 1.00 7.13 C ATOM 1084 CG1 VAL A 74 -10.750 -5.408 5.567 1.00 6.85 C ATOM 1085 CG2 VAL A 74 -11.858 -7.530 6.301 1.00 7.84 C ATOM 0 H VAL A 74 -8.250 -5.709 5.643 1.00 6.36 H new ATOM 0 HA VAL A 74 -9.217 -8.091 7.096 1.00 6.77 H new ATOM 0 HB VAL A 74 -10.656 -6.257 7.517 1.00 7.13 H new ATOM 0 HG11 VAL A 74 -11.691 -4.888 5.746 1.00 6.85 H new ATOM 0 HG12 VAL A 74 -9.918 -4.732 5.766 1.00 6.85 H new ATOM 0 HG13 VAL A 74 -10.710 -5.737 4.529 1.00 6.85 H new ATOM 0 HG21 VAL A 74 -12.774 -6.962 6.461 1.00 7.84 H new ATOM 0 HG22 VAL A 74 -11.854 -7.934 5.289 1.00 7.84 H new ATOM 0 HG23 VAL A 74 -11.809 -8.349 7.019 1.00 7.84 H new ATOM 1095 N MET A 75 -9.378 -9.490 5.059 1.00 7.05 N ATOM 1096 CA MET A 75 -9.409 -10.347 3.885 1.00 7.23 C ATOM 1097 C MET A 75 -10.831 -10.808 3.580 1.00 7.58 C ATOM 1098 O MET A 75 -11.418 -11.585 4.334 1.00 8.07 O ATOM 1099 CB MET A 75 -8.497 -11.555 4.094 1.00 7.58 C ATOM 1100 CG MET A 75 -8.318 -12.408 2.850 1.00 8.16 C ATOM 1101 SD MET A 75 -7.025 -13.651 3.045 1.00 8.88 S ATOM 1102 CE MET A 75 -7.088 -14.465 1.452 1.00 9.35 C ATOM 0 H MET A 75 -9.359 -9.992 5.947 1.00 7.05 H new ATOM 0 HA MET A 75 -9.050 -9.771 3.033 1.00 7.23 H new ATOM 0 HB2 MET A 75 -7.520 -11.208 4.429 1.00 7.58 H new ATOM 0 HB3 MET A 75 -8.906 -12.174 4.892 1.00 7.58 H new ATOM 0 HG2 MET A 75 -9.260 -12.902 2.614 1.00 8.16 H new ATOM 0 HG3 MET A 75 -8.075 -11.765 2.004 1.00 8.16 H new ATOM 0 HE1 MET A 75 -6.420 -15.326 1.457 1.00 9.35 H new ATOM 0 HE2 MET A 75 -8.107 -14.797 1.253 1.00 9.35 H new ATOM 0 HE3 MET A 75 -6.775 -13.768 0.675 1.00 9.35 H new ATOM 1112 N PHE A 76 -11.369 -10.327 2.472 1.00 7.53 N ATOM 1113 CA PHE A 76 -12.718 -10.677 2.042 1.00 7.96 C ATOM 1114 C PHE A 76 -12.730 -10.860 0.529 1.00 8.18 C ATOM 1115 O PHE A 76 -11.675 -10.834 -0.100 1.00 8.37 O ATOM 1116 CB PHE A 76 -13.713 -9.583 2.458 1.00 7.98 C ATOM 1117 CG PHE A 76 -13.433 -8.242 1.837 1.00 8.18 C ATOM 1118 CD1 PHE A 76 -12.515 -7.377 2.410 1.00 8.46 C ATOM 1119 CD2 PHE A 76 -14.083 -7.850 0.678 1.00 8.59 C ATOM 1120 CE1 PHE A 76 -12.251 -6.150 1.838 1.00 9.07 C ATOM 1121 CE2 PHE A 76 -13.824 -6.623 0.103 1.00 9.23 C ATOM 1122 CZ PHE A 76 -12.906 -5.772 0.683 1.00 9.66 C ATOM 0 H PHE A 76 -10.887 -9.684 1.844 1.00 7.53 H new ATOM 0 HA PHE A 76 -13.020 -11.609 2.520 1.00 7.96 H new ATOM 0 HB2 PHE A 76 -14.720 -9.897 2.184 1.00 7.98 H new ATOM 0 HB3 PHE A 76 -13.695 -9.482 3.543 1.00 7.98 H new ATOM 0 HD1 PHE A 76 -12.001 -7.667 3.314 1.00 8.46 H new ATOM 0 HD2 PHE A 76 -14.801 -8.513 0.219 1.00 8.59 H new ATOM 0 HE1 PHE A 76 -11.532 -5.485 2.294 1.00 9.07 H new ATOM 0 HE2 PHE A 76 -14.339 -6.329 -0.800 1.00 9.23 H new ATOM 0 HZ PHE A 76 -12.700 -4.812 0.234 1.00 9.66 H new ATOM 1132 N ARG A 77 -13.903 -11.052 -0.058 1.00 8.33 N ATOM 1133 CA ARG A 77 -13.996 -11.218 -1.502 1.00 8.76 C ATOM 1134 C ARG A 77 -14.560 -9.959 -2.153 1.00 8.37 C ATOM 1135 O ARG A 77 -15.659 -9.511 -1.825 1.00 8.58 O ATOM 1136 CB ARG A 77 -14.835 -12.445 -1.862 1.00 9.53 C ATOM 1137 CG ARG A 77 -14.003 -13.710 -2.018 1.00 10.38 C ATOM 1138 CD ARG A 77 -14.803 -14.845 -2.639 1.00 11.13 C ATOM 1139 NE ARG A 77 -15.502 -15.645 -1.633 1.00 11.57 N ATOM 1140 CZ ARG A 77 -15.922 -16.894 -1.835 1.00 12.50 C ATOM 1141 NH1 ARG A 77 -15.718 -17.493 -3.002 1.00 13.10 N ATOM 1142 NH2 ARG A 77 -16.542 -17.541 -0.858 1.00 12.92 N ATOM 0 H ARG A 77 -14.794 -11.096 0.436 1.00 8.33 H new ATOM 0 HA ARG A 77 -12.990 -11.379 -1.890 1.00 8.76 H new ATOM 0 HB2 ARG A 77 -15.586 -12.604 -1.089 1.00 9.53 H new ATOM 0 HB3 ARG A 77 -15.370 -12.252 -2.792 1.00 9.53 H new ATOM 0 HG2 ARG A 77 -13.133 -13.497 -2.639 1.00 10.38 H new ATOM 0 HG3 ARG A 77 -13.630 -14.021 -1.042 1.00 10.38 H new ATOM 0 HD2 ARG A 77 -15.528 -14.434 -3.341 1.00 11.13 H new ATOM 0 HD3 ARG A 77 -14.134 -15.488 -3.211 1.00 11.13 H new ATOM 0 HE ARG A 77 -15.679 -15.221 -0.722 1.00 11.57 H new ATOM 0 HH11 ARG A 77 -15.237 -16.997 -3.752 1.00 13.10 H new ATOM 0 HH12 ARG A 77 -16.043 -18.449 -3.148 1.00 13.10 H new ATOM 0 HH21 ARG A 77 -16.695 -17.083 0.040 1.00 12.92 H new ATOM 0 HH22 ARG A 77 -16.866 -18.497 -1.005 1.00 12.92 H new ATOM 1156 N PHE A 78 -13.792 -9.395 -3.070 1.00 8.00 N ATOM 1157 CA PHE A 78 -14.178 -8.177 -3.771 1.00 7.81 C ATOM 1158 C PHE A 78 -14.631 -8.507 -5.191 1.00 7.97 C ATOM 1159 O PHE A 78 -14.196 -9.505 -5.766 1.00 8.21 O ATOM 1160 CB PHE A 78 -12.991 -7.208 -3.804 1.00 8.16 C ATOM 1161 CG PHE A 78 -13.365 -5.778 -4.079 1.00 8.43 C ATOM 1162 CD1 PHE A 78 -13.900 -4.985 -3.079 1.00 8.53 C ATOM 1163 CD2 PHE A 78 -13.174 -5.226 -5.335 1.00 8.83 C ATOM 1164 CE1 PHE A 78 -14.238 -3.668 -3.326 1.00 8.94 C ATOM 1165 CE2 PHE A 78 -13.508 -3.911 -5.589 1.00 9.26 C ATOM 1166 CZ PHE A 78 -14.042 -3.130 -4.582 1.00 9.28 C ATOM 0 H PHE A 78 -12.884 -9.766 -3.351 1.00 8.00 H new ATOM 0 HA PHE A 78 -15.009 -7.707 -3.244 1.00 7.81 H new ATOM 0 HB2 PHE A 78 -12.471 -7.257 -2.848 1.00 8.16 H new ATOM 0 HB3 PHE A 78 -12.287 -7.540 -4.567 1.00 8.16 H new ATOM 0 HD1 PHE A 78 -14.055 -5.400 -2.094 1.00 8.53 H new ATOM 0 HD2 PHE A 78 -12.758 -5.833 -6.126 1.00 8.83 H new ATOM 0 HE1 PHE A 78 -14.655 -3.060 -2.537 1.00 8.94 H new ATOM 0 HE2 PHE A 78 -13.352 -3.493 -6.573 1.00 9.26 H new ATOM 0 HZ PHE A 78 -14.305 -2.101 -4.777 1.00 9.28 H new ATOM 1176 N ARG A 79 -15.503 -7.675 -5.749 1.00 7.99 N ATOM 1177 CA ARG A 79 -16.005 -7.891 -7.100 1.00 8.38 C ATOM 1178 C ARG A 79 -15.161 -7.141 -8.123 1.00 8.66 C ATOM 1179 O ARG A 79 -14.919 -5.942 -7.985 1.00 8.73 O ATOM 1180 CB ARG A 79 -17.462 -7.436 -7.214 1.00 8.53 C ATOM 1181 CG ARG A 79 -18.138 -7.883 -8.503 1.00 9.41 C ATOM 1182 CD ARG A 79 -19.571 -7.381 -8.595 1.00 9.82 C ATOM 1183 NE ARG A 79 -19.639 -5.953 -8.911 1.00 10.05 N ATOM 1184 CZ ARG A 79 -20.574 -5.127 -8.440 1.00 10.46 C ATOM 1185 NH1 ARG A 79 -21.550 -5.590 -7.668 1.00 10.67 N ATOM 1186 NH2 ARG A 79 -20.541 -3.842 -8.761 1.00 10.87 N ATOM 0 H ARG A 79 -15.876 -6.846 -5.287 1.00 7.99 H new ATOM 0 HA ARG A 79 -15.944 -8.960 -7.306 1.00 8.38 H new ATOM 0 HB2 ARG A 79 -18.023 -7.825 -6.365 1.00 8.53 H new ATOM 0 HB3 ARG A 79 -17.501 -6.349 -7.151 1.00 8.53 H new ATOM 0 HG2 ARG A 79 -17.569 -7.516 -9.357 1.00 9.41 H new ATOM 0 HG3 ARG A 79 -18.130 -8.972 -8.559 1.00 9.41 H new ATOM 0 HD2 ARG A 79 -20.103 -7.946 -9.360 1.00 9.82 H new ATOM 0 HD3 ARG A 79 -20.080 -7.566 -7.649 1.00 9.82 H new ATOM 0 HE ARG A 79 -18.927 -5.566 -9.530 1.00 10.05 H new ATOM 0 HH11 ARG A 79 -21.587 -6.582 -7.433 1.00 10.67 H new ATOM 0 HH12 ARG A 79 -22.263 -4.954 -7.310 1.00 10.67 H new ATOM 0 HH21 ARG A 79 -19.802 -3.487 -9.367 1.00 10.87 H new ATOM 0 HH22 ARG A 79 -21.255 -3.208 -8.402 1.00 10.87 H new ATOM 1200 N SER A 80 -14.714 -7.852 -9.143 1.00 9.00 N ATOM 1201 CA SER A 80 -13.914 -7.256 -10.199 1.00 9.50 C ATOM 1202 C SER A 80 -14.826 -6.759 -11.317 1.00 9.93 C ATOM 1203 O SER A 80 -16.051 -6.851 -11.214 1.00 10.23 O ATOM 1204 CB SER A 80 -12.932 -8.286 -10.756 1.00 10.33 C ATOM 1205 OG SER A 80 -13.617 -9.282 -11.496 1.00 10.77 O ATOM 0 H SER A 80 -14.893 -8.849 -9.263 1.00 9.00 H new ATOM 0 HA SER A 80 -13.354 -6.416 -9.789 1.00 9.50 H new ATOM 0 HB2 SER A 80 -12.200 -7.790 -11.394 1.00 10.33 H new ATOM 0 HB3 SER A 80 -12.380 -8.749 -9.938 1.00 10.33 H new ATOM 0 HG SER A 80 -12.975 -9.785 -12.040 1.00 10.77 H new ATOM 1211 N LYS A 81 -14.231 -6.248 -12.391 1.00 10.16 N ATOM 1212 CA LYS A 81 -14.999 -5.763 -13.528 1.00 10.81 C ATOM 1213 C LYS A 81 -15.610 -6.948 -14.278 1.00 11.44 C ATOM 1214 O LYS A 81 -16.484 -6.786 -15.128 1.00 11.77 O ATOM 1215 CB LYS A 81 -14.111 -4.930 -14.458 1.00 11.28 C ATOM 1216 CG LYS A 81 -14.890 -4.129 -15.492 1.00 11.83 C ATOM 1217 CD LYS A 81 -15.937 -3.239 -14.836 1.00 11.83 C ATOM 1218 CE LYS A 81 -16.844 -2.588 -15.867 1.00 12.62 C ATOM 1219 NZ LYS A 81 -18.030 -1.945 -15.240 1.00 12.66 N ATOM 0 H LYS A 81 -13.220 -6.160 -12.496 1.00 10.16 H new ATOM 0 HA LYS A 81 -15.804 -5.122 -13.169 1.00 10.81 H new ATOM 0 HB2 LYS A 81 -13.512 -4.246 -13.857 1.00 11.28 H new ATOM 0 HB3 LYS A 81 -13.416 -5.593 -14.973 1.00 11.28 H new ATOM 0 HG2 LYS A 81 -14.201 -3.515 -16.072 1.00 11.83 H new ATOM 0 HG3 LYS A 81 -15.376 -4.810 -16.191 1.00 11.83 H new ATOM 0 HD2 LYS A 81 -16.537 -3.831 -14.145 1.00 11.83 H new ATOM 0 HD3 LYS A 81 -15.442 -2.467 -14.247 1.00 11.83 H new ATOM 0 HE2 LYS A 81 -16.280 -1.841 -16.426 1.00 12.62 H new ATOM 0 HE3 LYS A 81 -17.176 -3.339 -16.584 1.00 12.62 H new ATOM 0 HZ1 LYS A 81 -18.539 -1.386 -15.954 1.00 12.66 H new ATOM 0 HZ2 LYS A 81 -18.662 -2.678 -14.859 1.00 12.66 H new ATOM 0 HZ3 LYS A 81 -17.719 -1.321 -14.468 1.00 12.66 H new ATOM 1233 N ASN A 82 -15.140 -8.144 -13.935 1.00 11.74 N ATOM 1234 CA ASN A 82 -15.634 -9.377 -14.535 1.00 12.49 C ATOM 1235 C ASN A 82 -16.791 -9.913 -13.705 1.00 12.28 C ATOM 1236 O ASN A 82 -17.325 -10.991 -13.975 1.00 12.86 O ATOM 1237 CB ASN A 82 -14.520 -10.430 -14.604 1.00 13.32 C ATOM 1238 CG ASN A 82 -13.346 -9.995 -15.461 1.00 13.91 C ATOM 1239 OD1 ASN A 82 -13.523 -9.402 -16.525 1.00 14.05 O ATOM 1240 ND2 ASN A 82 -12.137 -10.281 -14.998 1.00 14.42 N ATOM 0 H ASN A 82 -14.410 -8.284 -13.237 1.00 11.74 H new ATOM 0 HA ASN A 82 -15.972 -9.163 -15.549 1.00 12.49 H new ATOM 0 HB2 ASN A 82 -14.167 -10.644 -13.595 1.00 13.32 H new ATOM 0 HB3 ASN A 82 -14.929 -11.358 -15.002 1.00 13.32 H new ATOM 0 HD21 ASN A 82 -11.310 -10.008 -15.529 1.00 14.42 H new ATOM 0 HD22 ASN A 82 -12.034 -10.774 -14.111 1.00 14.42 H new ATOM 1247 N GLN A 83 -17.150 -9.144 -12.672 1.00 11.60 N ATOM 1248 CA GLN A 83 -18.235 -9.487 -11.756 1.00 11.56 C ATOM 1249 C GLN A 83 -17.904 -10.745 -10.959 1.00 11.14 C ATOM 1250 O GLN A 83 -18.798 -11.433 -10.466 1.00 11.21 O ATOM 1251 CB GLN A 83 -19.558 -9.658 -12.513 1.00 12.34 C ATOM 1252 CG GLN A 83 -20.345 -8.367 -12.692 1.00 12.60 C ATOM 1253 CD GLN A 83 -19.601 -7.322 -13.504 1.00 12.46 C ATOM 1254 OE1 GLN A 83 -18.871 -6.496 -12.960 1.00 12.29 O ATOM 1255 NE2 GLN A 83 -19.780 -7.354 -14.815 1.00 12.69 N ATOM 0 H GLN A 83 -16.691 -8.261 -12.449 1.00 11.60 H new ATOM 0 HA GLN A 83 -18.349 -8.662 -11.053 1.00 11.56 H new ATOM 0 HB2 GLN A 83 -19.350 -10.083 -13.495 1.00 12.34 H new ATOM 0 HB3 GLN A 83 -20.179 -10.378 -11.980 1.00 12.34 H new ATOM 0 HG2 GLN A 83 -21.293 -8.591 -13.182 1.00 12.60 H new ATOM 0 HG3 GLN A 83 -20.583 -7.955 -11.711 1.00 12.60 H new ATOM 0 HE21 GLN A 83 -20.394 -8.055 -15.229 1.00 12.69 H new ATOM 0 HE22 GLN A 83 -19.304 -6.677 -15.411 1.00 12.69 H new ATOM 1264 N GLU A 84 -16.613 -11.032 -10.825 1.00 10.85 N ATOM 1265 CA GLU A 84 -16.165 -12.201 -10.084 1.00 10.56 C ATOM 1266 C GLU A 84 -15.740 -11.793 -8.681 1.00 10.07 C ATOM 1267 O GLU A 84 -15.456 -10.620 -8.431 1.00 10.08 O ATOM 1268 CB GLU A 84 -15.014 -12.894 -10.823 1.00 10.45 C ATOM 1269 CG GLU A 84 -13.660 -12.219 -10.646 1.00 10.43 C ATOM 1270 CD GLU A 84 -12.768 -12.365 -11.862 1.00 10.44 C ATOM 1271 OE1 GLU A 84 -12.664 -13.488 -12.396 1.00 10.71 O ATOM 1272 OE2 GLU A 84 -12.171 -11.353 -12.291 1.00 10.24 O ATOM 0 H GLU A 84 -15.860 -10.469 -11.221 1.00 10.85 H new ATOM 0 HA GLU A 84 -16.990 -12.909 -10.005 1.00 10.56 H new ATOM 0 HB2 GLU A 84 -14.942 -13.924 -10.474 1.00 10.45 H new ATOM 0 HB3 GLU A 84 -15.251 -12.933 -11.886 1.00 10.45 H new ATOM 0 HG2 GLU A 84 -13.812 -11.160 -10.437 1.00 10.43 H new ATOM 0 HG3 GLU A 84 -13.157 -12.646 -9.779 1.00 10.43 H new ATOM 1279 N TRP A 85 -15.698 -12.755 -7.773 1.00 9.78 N ATOM 1280 CA TRP A 85 -15.316 -12.486 -6.397 1.00 9.50 C ATOM 1281 C TRP A 85 -13.916 -13.019 -6.114 1.00 9.40 C ATOM 1282 O TRP A 85 -13.699 -14.231 -6.078 1.00 9.53 O ATOM 1283 CB TRP A 85 -16.324 -13.122 -5.433 1.00 9.93 C ATOM 1284 CG TRP A 85 -17.748 -12.766 -5.731 1.00 10.24 C ATOM 1285 CD1 TRP A 85 -18.690 -13.572 -6.303 1.00 10.93 C ATOM 1286 CD2 TRP A 85 -18.394 -11.514 -5.477 1.00 10.07 C ATOM 1287 NE1 TRP A 85 -19.882 -12.899 -6.414 1.00 11.20 N ATOM 1288 CE2 TRP A 85 -19.725 -11.635 -5.916 1.00 10.68 C ATOM 1289 CE3 TRP A 85 -17.978 -10.304 -4.918 1.00 9.65 C ATOM 1290 CZ2 TRP A 85 -20.641 -10.592 -5.815 1.00 10.85 C ATOM 1291 CZ3 TRP A 85 -18.890 -9.270 -4.819 1.00 9.84 C ATOM 1292 CH2 TRP A 85 -20.207 -9.420 -5.265 1.00 10.42 C ATOM 0 H TRP A 85 -15.924 -13.731 -7.965 1.00 9.78 H new ATOM 0 HA TRP A 85 -15.314 -11.406 -6.246 1.00 9.50 H new ATOM 0 HB2 TRP A 85 -16.214 -14.206 -5.469 1.00 9.93 H new ATOM 0 HB3 TRP A 85 -16.086 -12.812 -4.416 1.00 9.93 H new ATOM 0 HD1 TRP A 85 -18.522 -14.590 -6.622 1.00 10.93 H new ATOM 0 HE1 TRP A 85 -20.744 -13.280 -6.804 1.00 11.20 H new ATOM 0 HE3 TRP A 85 -16.963 -10.178 -4.570 1.00 9.65 H new ATOM 0 HZ2 TRP A 85 -21.658 -10.706 -6.159 1.00 10.85 H new ATOM 0 HZ3 TRP A 85 -18.580 -8.329 -4.389 1.00 9.84 H new ATOM 0 HH2 TRP A 85 -20.895 -8.592 -5.173 1.00 10.42 H new ATOM 1303 N LEU A 86 -12.973 -12.113 -5.922 1.00 9.37 N ATOM 1304 CA LEU A 86 -11.593 -12.488 -5.635 1.00 9.51 C ATOM 1305 C LEU A 86 -11.218 -12.061 -4.219 1.00 8.86 C ATOM 1306 O LEU A 86 -11.805 -11.127 -3.673 1.00 8.45 O ATOM 1307 CB LEU A 86 -10.642 -11.864 -6.661 1.00 10.04 C ATOM 1308 CG LEU A 86 -10.955 -10.418 -7.056 1.00 10.26 C ATOM 1309 CD1 LEU A 86 -10.158 -9.439 -6.205 1.00 10.30 C ATOM 1310 CD2 LEU A 86 -10.664 -10.200 -8.533 1.00 11.12 C ATOM 0 H LEU A 86 -13.136 -11.107 -5.959 1.00 9.37 H new ATOM 0 HA LEU A 86 -11.502 -13.572 -5.706 1.00 9.51 H new ATOM 0 HB2 LEU A 86 -9.629 -11.902 -6.261 1.00 10.04 H new ATOM 0 HB3 LEU A 86 -10.653 -12.479 -7.561 1.00 10.04 H new ATOM 0 HG LEU A 86 -12.015 -10.236 -6.878 1.00 10.26 H new ATOM 0 HD11 LEU A 86 -10.397 -8.418 -6.504 1.00 10.30 H new ATOM 0 HD12 LEU A 86 -10.413 -9.579 -5.155 1.00 10.30 H new ATOM 0 HD13 LEU A 86 -9.092 -9.618 -6.346 1.00 10.30 H new ATOM 0 HD21 LEU A 86 -10.891 -9.168 -8.800 1.00 11.12 H new ATOM 0 HD22 LEU A 86 -9.611 -10.403 -8.730 1.00 11.12 H new ATOM 0 HD23 LEU A 86 -11.281 -10.873 -9.129 1.00 11.12 H new ATOM 1322 N TRP A 87 -10.246 -12.737 -3.627 1.00 8.98 N ATOM 1323 CA TRP A 87 -9.823 -12.425 -2.268 1.00 8.61 C ATOM 1324 C TRP A 87 -8.994 -11.149 -2.223 1.00 8.55 C ATOM 1325 O TRP A 87 -7.936 -11.050 -2.852 1.00 9.23 O ATOM 1326 CB TRP A 87 -9.038 -13.588 -1.666 1.00 9.13 C ATOM 1327 CG TRP A 87 -9.897 -14.780 -1.373 1.00 9.35 C ATOM 1328 CD1 TRP A 87 -9.971 -15.933 -2.096 1.00 9.76 C ATOM 1329 CD2 TRP A 87 -10.816 -14.927 -0.283 1.00 9.44 C ATOM 1330 NE1 TRP A 87 -10.876 -16.789 -1.522 1.00 10.06 N ATOM 1331 CE2 TRP A 87 -11.408 -16.196 -0.409 1.00 9.89 C ATOM 1332 CE3 TRP A 87 -11.194 -14.110 0.787 1.00 9.42 C ATOM 1333 CZ2 TRP A 87 -12.360 -16.665 0.495 1.00 10.28 C ATOM 1334 CZ3 TRP A 87 -12.136 -14.577 1.681 1.00 9.85 C ATOM 1335 CH2 TRP A 87 -12.709 -15.845 1.531 1.00 10.26 C ATOM 0 H TRP A 87 -9.735 -13.504 -4.064 1.00 8.98 H new ATOM 0 HA TRP A 87 -10.722 -12.264 -1.673 1.00 8.61 H new ATOM 0 HB2 TRP A 87 -8.244 -13.879 -2.354 1.00 9.13 H new ATOM 0 HB3 TRP A 87 -8.557 -13.258 -0.745 1.00 9.13 H new ATOM 0 HD1 TRP A 87 -9.401 -16.142 -2.989 1.00 9.76 H new ATOM 0 HE1 TRP A 87 -11.114 -17.718 -1.869 1.00 10.06 H new ATOM 0 HE3 TRP A 87 -10.756 -13.131 0.912 1.00 9.42 H new ATOM 0 HZ2 TRP A 87 -12.806 -17.642 0.381 1.00 10.28 H new ATOM 0 HZ3 TRP A 87 -12.436 -13.953 2.510 1.00 9.85 H new ATOM 0 HH2 TRP A 87 -13.442 -16.182 2.249 1.00 10.26 H new ATOM 1346 N MET A 88 -9.486 -10.184 -1.465 1.00 7.94 N ATOM 1347 CA MET A 88 -8.825 -8.903 -1.314 1.00 7.99 C ATOM 1348 C MET A 88 -8.461 -8.662 0.144 1.00 7.92 C ATOM 1349 O MET A 88 -9.290 -8.842 1.037 1.00 7.76 O ATOM 1350 CB MET A 88 -9.744 -7.783 -1.807 1.00 8.19 C ATOM 1351 CG MET A 88 -9.071 -6.424 -1.869 1.00 8.29 C ATOM 1352 SD MET A 88 -7.968 -6.264 -3.285 1.00 8.99 S ATOM 1353 CE MET A 88 -9.142 -6.324 -4.633 1.00 9.32 C ATOM 0 H MET A 88 -10.355 -10.268 -0.938 1.00 7.94 H new ATOM 0 HA MET A 88 -7.911 -8.910 -1.908 1.00 7.99 H new ATOM 0 HB2 MET A 88 -10.115 -8.040 -2.799 1.00 8.19 H new ATOM 0 HB3 MET A 88 -10.610 -7.720 -1.149 1.00 8.19 H new ATOM 0 HG2 MET A 88 -9.833 -5.646 -1.917 1.00 8.29 H new ATOM 0 HG3 MET A 88 -8.506 -6.260 -0.952 1.00 8.29 H new ATOM 0 HE1 MET A 88 -8.860 -7.116 -5.326 1.00 9.32 H new ATOM 0 HE2 MET A 88 -10.138 -6.524 -4.239 1.00 9.32 H new ATOM 0 HE3 MET A 88 -9.144 -5.368 -5.156 1.00 9.32 H new ATOM 1363 N ARG A 89 -7.218 -8.281 0.381 1.00 8.22 N ATOM 1364 CA ARG A 89 -6.745 -7.990 1.724 1.00 8.32 C ATOM 1365 C ARG A 89 -6.698 -6.480 1.918 1.00 8.38 C ATOM 1366 O ARG A 89 -5.628 -5.873 1.908 1.00 8.80 O ATOM 1367 CB ARG A 89 -5.357 -8.597 1.947 1.00 8.70 C ATOM 1368 CG ARG A 89 -4.964 -8.704 3.412 1.00 8.73 C ATOM 1369 CD ARG A 89 -3.474 -8.471 3.611 1.00 9.56 C ATOM 1370 NE ARG A 89 -3.121 -7.060 3.443 1.00 9.63 N ATOM 1371 CZ ARG A 89 -2.134 -6.447 4.100 1.00 10.18 C ATOM 1372 NH1 ARG A 89 -1.366 -7.118 4.948 1.00 10.66 N ATOM 1373 NH2 ARG A 89 -1.917 -5.157 3.903 1.00 10.44 N ATOM 0 H ARG A 89 -6.512 -8.165 -0.346 1.00 8.22 H new ATOM 0 HA ARG A 89 -7.428 -8.430 2.451 1.00 8.32 H new ATOM 0 HB2 ARG A 89 -5.328 -9.590 1.499 1.00 8.70 H new ATOM 0 HB3 ARG A 89 -4.617 -7.990 1.425 1.00 8.70 H new ATOM 0 HG2 ARG A 89 -5.528 -7.975 3.995 1.00 8.73 H new ATOM 0 HG3 ARG A 89 -5.232 -9.691 3.790 1.00 8.73 H new ATOM 0 HD2 ARG A 89 -3.183 -8.803 4.608 1.00 9.56 H new ATOM 0 HD3 ARG A 89 -2.913 -9.074 2.898 1.00 9.56 H new ATOM 0 HE ARG A 89 -3.666 -6.509 2.780 1.00 9.63 H new ATOM 0 HH11 ARG A 89 -1.527 -8.113 5.104 1.00 10.66 H new ATOM 0 HH12 ARG A 89 -0.615 -6.639 5.444 1.00 10.66 H new ATOM 0 HH21 ARG A 89 -2.503 -4.635 3.251 1.00 10.44 H new ATOM 0 HH22 ARG A 89 -1.164 -4.684 4.403 1.00 10.44 H new ATOM 1387 N THR A 90 -7.868 -5.885 2.067 1.00 8.13 N ATOM 1388 CA THR A 90 -7.988 -4.450 2.245 1.00 8.31 C ATOM 1389 C THR A 90 -7.339 -3.988 3.546 1.00 7.80 C ATOM 1390 O THR A 90 -7.773 -4.342 4.641 1.00 7.13 O ATOM 1391 CB THR A 90 -9.467 -4.024 2.202 1.00 8.83 C ATOM 1392 OG1 THR A 90 -9.989 -4.263 0.890 1.00 9.37 O ATOM 1393 CG2 THR A 90 -9.640 -2.555 2.557 1.00 9.12 C ATOM 0 H THR A 90 -8.759 -6.382 2.068 1.00 8.13 H new ATOM 0 HA THR A 90 -7.458 -3.970 1.422 1.00 8.31 H new ATOM 0 HB THR A 90 -10.011 -4.613 2.941 1.00 8.83 H new ATOM 0 HG1 THR A 90 -9.731 -3.527 0.296 1.00 9.37 H new ATOM 0 HG21 THR A 90 -10.697 -2.293 2.516 1.00 9.12 H new ATOM 0 HG22 THR A 90 -9.261 -2.377 3.563 1.00 9.12 H new ATOM 0 HG23 THR A 90 -9.086 -1.941 1.847 1.00 9.12 H new ATOM 1401 N SER A 91 -6.284 -3.208 3.406 1.00 8.27 N ATOM 1402 CA SER A 91 -5.553 -2.682 4.542 1.00 8.04 C ATOM 1403 C SER A 91 -6.146 -1.345 4.965 1.00 8.00 C ATOM 1404 O SER A 91 -5.799 -0.303 4.411 1.00 8.20 O ATOM 1405 CB SER A 91 -4.083 -2.513 4.168 1.00 7.83 C ATOM 1406 OG SER A 91 -3.719 -3.413 3.132 1.00 8.08 O ATOM 0 H SER A 91 -5.910 -2.921 2.501 1.00 8.27 H new ATOM 0 HA SER A 91 -5.630 -3.378 5.377 1.00 8.04 H new ATOM 0 HB2 SER A 91 -3.901 -1.488 3.846 1.00 7.83 H new ATOM 0 HB3 SER A 91 -3.458 -2.688 5.044 1.00 7.83 H new ATOM 0 HG SER A 91 -4.262 -3.233 2.337 1.00 8.08 H new ATOM 1412 N SER A 92 -7.049 -1.383 5.928 1.00 7.99 N ATOM 1413 CA SER A 92 -7.704 -0.177 6.407 1.00 8.16 C ATOM 1414 C SER A 92 -6.795 0.623 7.335 1.00 8.34 C ATOM 1415 O SER A 92 -6.385 0.141 8.390 1.00 8.27 O ATOM 1416 CB SER A 92 -8.999 -0.552 7.125 1.00 8.49 C ATOM 1417 OG SER A 92 -9.732 -1.504 6.371 1.00 8.65 O ATOM 0 H SER A 92 -7.347 -2.239 6.396 1.00 7.99 H new ATOM 0 HA SER A 92 -7.932 0.455 5.548 1.00 8.16 H new ATOM 0 HB2 SER A 92 -8.770 -0.959 8.110 1.00 8.49 H new ATOM 0 HB3 SER A 92 -9.605 0.340 7.282 1.00 8.49 H new ATOM 0 HG SER A 92 -10.689 -1.298 6.425 1.00 8.65 H new ATOM 1423 N PHE A 93 -6.469 1.837 6.918 1.00 8.79 N ATOM 1424 CA PHE A 93 -5.625 2.725 7.700 1.00 9.24 C ATOM 1425 C PHE A 93 -6.362 4.036 7.967 1.00 9.05 C ATOM 1426 O PHE A 93 -6.715 4.763 7.037 1.00 8.84 O ATOM 1427 CB PHE A 93 -4.306 2.979 6.960 1.00 9.87 C ATOM 1428 CG PHE A 93 -3.439 4.033 7.586 1.00 10.37 C ATOM 1429 CD1 PHE A 93 -2.977 3.894 8.885 1.00 10.90 C ATOM 1430 CD2 PHE A 93 -3.085 5.165 6.870 1.00 10.50 C ATOM 1431 CE1 PHE A 93 -2.180 4.865 9.458 1.00 11.50 C ATOM 1432 CE2 PHE A 93 -2.288 6.139 7.436 1.00 11.09 C ATOM 1433 CZ PHE A 93 -1.835 5.987 8.731 1.00 11.56 C ATOM 0 H PHE A 93 -6.781 2.233 6.031 1.00 8.79 H new ATOM 0 HA PHE A 93 -5.395 2.258 8.657 1.00 9.24 H new ATOM 0 HB2 PHE A 93 -3.745 2.046 6.911 1.00 9.87 H new ATOM 0 HB3 PHE A 93 -4.529 3.271 5.934 1.00 9.87 H new ATOM 0 HD1 PHE A 93 -3.243 3.016 9.456 1.00 10.90 H new ATOM 0 HD2 PHE A 93 -3.437 5.287 5.856 1.00 10.50 H new ATOM 0 HE1 PHE A 93 -1.827 4.747 10.472 1.00 11.50 H new ATOM 0 HE2 PHE A 93 -2.020 7.017 6.868 1.00 11.09 H new ATOM 0 HZ PHE A 93 -1.210 6.747 9.176 1.00 11.56 H new ATOM 1443 N THR A 94 -6.607 4.321 9.235 1.00 9.35 N ATOM 1444 CA THR A 94 -7.311 5.530 9.628 1.00 9.46 C ATOM 1445 C THR A 94 -6.431 6.771 9.474 1.00 9.94 C ATOM 1446 O THR A 94 -5.305 6.808 9.973 1.00 10.16 O ATOM 1447 CB THR A 94 -7.788 5.419 11.087 1.00 9.25 C ATOM 1448 OG1 THR A 94 -7.251 4.226 11.687 1.00 9.37 O ATOM 1449 CG2 THR A 94 -9.306 5.383 11.158 1.00 9.37 C ATOM 0 H THR A 94 -6.326 3.727 10.015 1.00 9.35 H new ATOM 0 HA THR A 94 -8.171 5.636 8.967 1.00 9.46 H new ATOM 0 HB THR A 94 -7.434 6.295 11.631 1.00 9.25 H new ATOM 0 HG1 THR A 94 -7.926 3.822 12.272 1.00 9.37 H new ATOM 0 HG21 THR A 94 -9.620 5.304 12.199 1.00 9.37 H new ATOM 0 HG22 THR A 94 -9.712 6.297 10.725 1.00 9.37 H new ATOM 0 HG23 THR A 94 -9.676 4.522 10.601 1.00 9.37 H new ATOM 1457 N PHE A 95 -6.943 7.777 8.773 1.00 10.31 N ATOM 1458 CA PHE A 95 -6.209 9.018 8.567 1.00 10.96 C ATOM 1459 C PHE A 95 -6.779 10.106 9.473 1.00 11.35 C ATOM 1460 O PHE A 95 -7.952 10.470 9.362 1.00 11.51 O ATOM 1461 CB PHE A 95 -6.288 9.451 7.102 1.00 11.11 C ATOM 1462 CG PHE A 95 -5.226 10.437 6.708 1.00 11.84 C ATOM 1463 CD1 PHE A 95 -3.931 10.014 6.463 1.00 12.08 C ATOM 1464 CD2 PHE A 95 -5.525 11.783 6.582 1.00 11.76 C ATOM 1465 CE1 PHE A 95 -2.951 10.917 6.099 1.00 12.25 C ATOM 1466 CE2 PHE A 95 -4.550 12.691 6.217 1.00 11.93 C ATOM 1467 CZ PHE A 95 -3.261 12.257 5.976 1.00 12.11 C ATOM 0 H PHE A 95 -7.865 7.756 8.338 1.00 10.31 H new ATOM 0 HA PHE A 95 -5.161 8.856 8.818 1.00 10.96 H new ATOM 0 HB2 PHE A 95 -6.207 8.569 6.466 1.00 11.11 H new ATOM 0 HB3 PHE A 95 -7.268 9.890 6.914 1.00 11.11 H new ATOM 0 HD1 PHE A 95 -3.684 8.967 6.557 1.00 12.08 H new ATOM 0 HD2 PHE A 95 -6.531 12.127 6.771 1.00 11.76 H new ATOM 0 HE1 PHE A 95 -1.944 10.575 5.911 1.00 12.25 H new ATOM 0 HE2 PHE A 95 -4.795 13.738 6.120 1.00 11.93 H new ATOM 0 HZ PHE A 95 -2.496 12.965 5.692 1.00 12.11 H new ATOM 1477 N GLN A 96 -5.947 10.618 10.364 1.00 11.67 N ATOM 1478 CA GLN A 96 -6.373 11.641 11.308 1.00 12.26 C ATOM 1479 C GLN A 96 -5.777 13.001 10.979 1.00 12.40 C ATOM 1480 O GLN A 96 -4.676 13.101 10.434 1.00 12.58 O ATOM 1481 CB GLN A 96 -5.971 11.241 12.726 1.00 12.87 C ATOM 1482 CG GLN A 96 -6.863 10.177 13.336 1.00 13.00 C ATOM 1483 CD GLN A 96 -6.071 9.060 13.983 1.00 13.42 C ATOM 1484 OE1 GLN A 96 -5.854 8.007 13.387 1.00 13.10 O ATOM 1485 NE2 GLN A 96 -5.612 9.293 15.200 1.00 14.24 N ATOM 0 H GLN A 96 -4.969 10.342 10.455 1.00 11.67 H new ATOM 0 HA GLN A 96 -7.458 11.722 11.235 1.00 12.26 H new ATOM 0 HB2 GLN A 96 -4.943 10.878 12.714 1.00 12.87 H new ATOM 0 HB3 GLN A 96 -5.989 12.126 13.362 1.00 12.87 H new ATOM 0 HG2 GLN A 96 -7.514 10.636 14.081 1.00 13.00 H new ATOM 0 HG3 GLN A 96 -7.508 9.760 12.562 1.00 13.00 H new ATOM 0 HE21 GLN A 96 -5.815 10.180 15.660 1.00 14.24 H new ATOM 0 HE22 GLN A 96 -5.055 8.585 15.679 1.00 14.24 H new ATOM 1494 N ASN A 97 -6.525 14.043 11.309 1.00 12.50 N ATOM 1495 CA ASN A 97 -6.098 15.418 11.087 1.00 12.84 C ATOM 1496 C ASN A 97 -5.501 15.983 12.373 1.00 13.26 C ATOM 1497 O ASN A 97 -6.090 15.844 13.445 1.00 13.46 O ATOM 1498 CB ASN A 97 -7.285 16.275 10.641 1.00 12.77 C ATOM 1499 CG ASN A 97 -6.856 17.590 10.020 1.00 13.20 C ATOM 1500 OD1 ASN A 97 -6.605 18.567 10.721 1.00 13.83 O ATOM 1501 ND2 ASN A 97 -6.780 17.625 8.701 1.00 13.02 N ATOM 0 H ASN A 97 -7.446 13.960 11.739 1.00 12.50 H new ATOM 0 HA ASN A 97 -5.342 15.433 10.302 1.00 12.84 H new ATOM 0 HB2 ASN A 97 -7.882 15.715 9.921 1.00 12.77 H new ATOM 0 HB3 ASN A 97 -7.926 16.475 11.499 1.00 12.77 H new ATOM 0 HD21 ASN A 97 -6.504 18.486 8.229 1.00 13.02 H new ATOM 0 HD22 ASN A 97 -6.997 16.791 8.155 1.00 13.02 H new ATOM 1508 N PRO A 98 -4.330 16.634 12.280 1.00 13.57 N ATOM 1509 CA PRO A 98 -3.624 17.205 13.444 1.00 14.16 C ATOM 1510 C PRO A 98 -4.388 18.321 14.165 1.00 14.64 C ATOM 1511 O PRO A 98 -3.947 18.791 15.217 1.00 15.34 O ATOM 1512 CB PRO A 98 -2.325 17.764 12.843 1.00 14.43 C ATOM 1513 CG PRO A 98 -2.181 17.087 11.524 1.00 14.13 C ATOM 1514 CD PRO A 98 -3.577 16.849 11.034 1.00 13.56 C ATOM 0 HA PRO A 98 -3.482 16.443 14.210 1.00 14.16 H new ATOM 0 HB2 PRO A 98 -2.379 18.846 12.726 1.00 14.43 H new ATOM 0 HB3 PRO A 98 -1.471 17.555 13.488 1.00 14.43 H new ATOM 0 HG2 PRO A 98 -1.621 17.708 10.825 1.00 14.13 H new ATOM 0 HG3 PRO A 98 -1.636 16.148 11.623 1.00 14.13 H new ATOM 0 HD2 PRO A 98 -3.959 17.702 10.473 1.00 13.56 H new ATOM 0 HD3 PRO A 98 -3.632 15.983 10.374 1.00 13.56 H new ATOM 1522 N TYR A 99 -5.522 18.747 13.611 1.00 14.40 N ATOM 1523 CA TYR A 99 -6.319 19.803 14.233 1.00 14.96 C ATOM 1524 C TYR A 99 -6.825 19.353 15.602 1.00 14.99 C ATOM 1525 O TYR A 99 -6.508 19.966 16.620 1.00 15.65 O ATOM 1526 CB TYR A 99 -7.496 20.202 13.338 1.00 15.01 C ATOM 1527 CG TYR A 99 -8.093 21.554 13.677 1.00 14.39 C ATOM 1528 CD1 TYR A 99 -7.558 22.723 13.154 1.00 14.95 C ATOM 1529 CD2 TYR A 99 -9.199 21.660 14.511 1.00 14.52 C ATOM 1530 CE1 TYR A 99 -8.107 23.956 13.451 1.00 15.60 C ATOM 1531 CE2 TYR A 99 -9.752 22.889 14.814 1.00 15.18 C ATOM 1532 CZ TYR A 99 -9.203 24.034 14.281 1.00 16.89 C ATOM 1533 OH TYR A 99 -9.756 25.261 14.575 1.00 16.50 O ATOM 0 H TYR A 99 -5.907 18.381 12.740 1.00 14.40 H new ATOM 0 HA TYR A 99 -5.679 20.676 14.364 1.00 14.96 H new ATOM 0 HB2 TYR A 99 -7.164 20.212 12.300 1.00 15.01 H new ATOM 0 HB3 TYR A 99 -8.274 19.442 13.416 1.00 15.01 H new ATOM 0 HD1 TYR A 99 -6.698 22.668 12.504 1.00 14.95 H new ATOM 0 HD2 TYR A 99 -9.634 20.765 14.930 1.00 14.52 H new ATOM 0 HE1 TYR A 99 -7.678 24.855 13.034 1.00 15.60 H new ATOM 0 HE2 TYR A 99 -10.611 22.952 15.466 1.00 15.18 H new ATOM 0 HH TYR A 99 -10.523 25.139 15.173 1.00 16.50 H new ATOM 1543 N SER A 100 -7.623 18.292 15.623 1.00 14.39 N ATOM 1544 CA SER A 100 -8.150 17.762 16.876 1.00 14.53 C ATOM 1545 C SER A 100 -8.268 16.238 16.820 1.00 14.18 C ATOM 1546 O SER A 100 -9.116 15.646 17.493 1.00 14.16 O ATOM 1547 CB SER A 100 -9.507 18.395 17.192 1.00 14.72 C ATOM 1548 OG SER A 100 -9.977 19.163 16.097 1.00 14.89 O ATOM 0 H SER A 100 -7.919 17.783 14.790 1.00 14.39 H new ATOM 0 HA SER A 100 -7.452 18.016 17.674 1.00 14.53 H new ATOM 0 HB2 SER A 100 -10.230 17.615 17.430 1.00 14.72 H new ATOM 0 HB3 SER A 100 -9.420 19.029 18.075 1.00 14.72 H new ATOM 0 HG SER A 100 -10.846 19.556 16.322 1.00 14.89 H new ATOM 1554 N ASP A 101 -7.407 15.624 16.006 1.00 14.07 N ATOM 1555 CA ASP A 101 -7.360 14.167 15.836 1.00 13.92 C ATOM 1556 C ASP A 101 -8.656 13.624 15.233 1.00 13.12 C ATOM 1557 O ASP A 101 -9.169 12.584 15.649 1.00 13.21 O ATOM 1558 CB ASP A 101 -7.056 13.475 17.171 1.00 14.53 C ATOM 1559 CG ASP A 101 -6.657 12.023 17.000 1.00 14.57 C ATOM 1560 OD1 ASP A 101 -5.642 11.753 16.325 1.00 14.75 O ATOM 1561 OD2 ASP A 101 -7.355 11.140 17.546 1.00 14.77 O ATOM 0 H ASP A 101 -6.719 16.124 15.443 1.00 14.07 H new ATOM 0 HA ASP A 101 -6.554 13.946 15.136 1.00 13.92 H new ATOM 0 HB2 ASP A 101 -6.254 14.011 17.679 1.00 14.53 H new ATOM 0 HB3 ASP A 101 -7.934 13.533 17.814 1.00 14.53 H new ATOM 1566 N GLU A 102 -9.185 14.329 14.244 1.00 12.49 N ATOM 1567 CA GLU A 102 -10.409 13.899 13.583 1.00 11.85 C ATOM 1568 C GLU A 102 -10.075 13.027 12.382 1.00 11.00 C ATOM 1569 O GLU A 102 -9.097 13.283 11.681 1.00 10.88 O ATOM 1570 CB GLU A 102 -11.239 15.099 13.123 1.00 11.92 C ATOM 1571 CG GLU A 102 -11.389 16.181 14.175 1.00 12.55 C ATOM 1572 CD GLU A 102 -10.799 17.499 13.727 1.00 12.62 C ATOM 1573 OE1 GLU A 102 -9.561 17.649 13.789 1.00 12.82 O ATOM 1574 OE2 GLU A 102 -11.567 18.392 13.313 1.00 12.95 O ATOM 0 H GLU A 102 -8.789 15.197 13.883 1.00 12.49 H new ATOM 0 HA GLU A 102 -10.994 13.326 14.302 1.00 11.85 H new ATOM 0 HB2 GLU A 102 -10.776 15.530 12.236 1.00 11.92 H new ATOM 0 HB3 GLU A 102 -12.230 14.752 12.829 1.00 11.92 H new ATOM 0 HG2 GLU A 102 -12.446 16.317 14.405 1.00 12.55 H new ATOM 0 HG3 GLU A 102 -10.901 15.861 15.095 1.00 12.55 H new ATOM 1581 N ILE A 103 -10.879 12.003 12.149 1.00 10.60 N ATOM 1582 CA ILE A 103 -10.657 11.107 11.022 1.00 9.97 C ATOM 1583 C ILE A 103 -11.374 11.635 9.786 1.00 9.53 C ATOM 1584 O ILE A 103 -12.590 11.504 9.665 1.00 9.56 O ATOM 1585 CB ILE A 103 -11.155 9.677 11.323 1.00 10.32 C ATOM 1586 CG1 ILE A 103 -10.569 9.170 12.641 1.00 10.72 C ATOM 1587 CG2 ILE A 103 -10.793 8.736 10.181 1.00 10.45 C ATOM 1588 CD1 ILE A 103 -11.223 7.900 13.140 1.00 11.11 C ATOM 0 H ILE A 103 -11.690 11.770 12.722 1.00 10.60 H new ATOM 0 HA ILE A 103 -9.582 11.067 10.843 1.00 9.97 H new ATOM 0 HB ILE A 103 -12.241 9.704 11.418 1.00 10.32 H new ATOM 0 HG12 ILE A 103 -9.501 8.993 12.511 1.00 10.72 H new ATOM 0 HG13 ILE A 103 -10.674 9.946 13.399 1.00 10.72 H new ATOM 0 HG21 ILE A 103 -11.151 7.732 10.409 1.00 10.45 H new ATOM 0 HG22 ILE A 103 -11.258 9.086 9.260 1.00 10.45 H new ATOM 0 HG23 ILE A 103 -9.710 8.715 10.056 1.00 10.45 H new ATOM 0 HD11 ILE A 103 -10.759 7.596 14.078 1.00 11.11 H new ATOM 0 HD12 ILE A 103 -12.286 8.077 13.302 1.00 11.11 H new ATOM 0 HD13 ILE A 103 -11.095 7.110 12.400 1.00 11.11 H new ATOM 1600 N GLU A 104 -10.624 12.246 8.877 1.00 9.35 N ATOM 1601 CA GLU A 104 -11.212 12.791 7.660 1.00 9.23 C ATOM 1602 C GLU A 104 -11.643 11.675 6.715 1.00 8.49 C ATOM 1603 O GLU A 104 -12.719 11.738 6.115 1.00 7.95 O ATOM 1604 CB GLU A 104 -10.249 13.755 6.961 1.00 9.71 C ATOM 1605 CG GLU A 104 -8.779 13.386 7.078 1.00 10.37 C ATOM 1606 CD GLU A 104 -7.872 14.540 6.696 1.00 11.10 C ATOM 1607 OE1 GLU A 104 -7.613 14.730 5.490 1.00 11.22 O ATOM 1608 OE2 GLU A 104 -7.434 15.278 7.599 1.00 11.65 O ATOM 0 H GLU A 104 -9.616 12.376 8.958 1.00 9.35 H new ATOM 0 HA GLU A 104 -12.100 13.355 7.946 1.00 9.23 H new ATOM 0 HB2 GLU A 104 -10.513 13.807 5.905 1.00 9.71 H new ATOM 0 HB3 GLU A 104 -10.392 14.753 7.375 1.00 9.71 H new ATOM 0 HG2 GLU A 104 -8.563 13.078 8.101 1.00 10.37 H new ATOM 0 HG3 GLU A 104 -8.568 12.531 6.436 1.00 10.37 H new ATOM 1615 N TYR A 105 -10.817 10.645 6.593 1.00 8.69 N ATOM 1616 CA TYR A 105 -11.131 9.519 5.727 1.00 8.30 C ATOM 1617 C TYR A 105 -10.288 8.307 6.096 1.00 8.30 C ATOM 1618 O TYR A 105 -9.464 8.367 7.009 1.00 8.50 O ATOM 1619 CB TYR A 105 -10.947 9.882 4.245 1.00 8.40 C ATOM 1620 CG TYR A 105 -9.584 10.439 3.888 1.00 8.90 C ATOM 1621 CD1 TYR A 105 -8.480 9.605 3.775 1.00 9.14 C ATOM 1622 CD2 TYR A 105 -9.408 11.796 3.642 1.00 9.14 C ATOM 1623 CE1 TYR A 105 -7.241 10.106 3.434 1.00 9.56 C ATOM 1624 CE2 TYR A 105 -8.168 12.304 3.304 1.00 9.54 C ATOM 1625 CZ TYR A 105 -7.089 11.453 3.201 1.00 9.84 C ATOM 1626 OH TYR A 105 -5.853 11.946 2.849 1.00 10.30 O ATOM 0 H TYR A 105 -9.926 10.567 7.083 1.00 8.69 H new ATOM 0 HA TYR A 105 -12.181 9.267 5.876 1.00 8.30 H new ATOM 0 HB2 TYR A 105 -11.128 8.992 3.643 1.00 8.40 H new ATOM 0 HB3 TYR A 105 -11.706 10.614 3.968 1.00 8.40 H new ATOM 0 HD1 TYR A 105 -8.593 8.546 3.957 1.00 9.14 H new ATOM 0 HD2 TYR A 105 -10.254 12.464 3.716 1.00 9.14 H new ATOM 0 HE1 TYR A 105 -6.393 9.443 3.350 1.00 9.56 H new ATOM 0 HE2 TYR A 105 -8.045 13.361 3.122 1.00 9.54 H new ATOM 0 HH TYR A 105 -5.360 12.201 3.657 1.00 10.30 H new ATOM 1636 N ILE A 106 -10.503 7.210 5.386 1.00 8.31 N ATOM 1637 CA ILE A 106 -9.777 5.978 5.639 1.00 8.58 C ATOM 1638 C ILE A 106 -9.039 5.522 4.385 1.00 7.97 C ATOM 1639 O ILE A 106 -9.645 5.332 3.326 1.00 7.37 O ATOM 1640 CB ILE A 106 -10.725 4.849 6.105 1.00 9.05 C ATOM 1641 CG1 ILE A 106 -11.604 5.332 7.264 1.00 9.92 C ATOM 1642 CG2 ILE A 106 -9.927 3.617 6.520 1.00 9.27 C ATOM 1643 CD1 ILE A 106 -12.692 4.354 7.652 1.00 10.29 C ATOM 0 H ILE A 106 -11.180 7.150 4.625 1.00 8.31 H new ATOM 0 HA ILE A 106 -9.059 6.184 6.433 1.00 8.58 H new ATOM 0 HB ILE A 106 -11.371 4.576 5.271 1.00 9.05 H new ATOM 0 HG12 ILE A 106 -10.973 5.523 8.132 1.00 9.92 H new ATOM 0 HG13 ILE A 106 -12.063 6.282 6.989 1.00 9.92 H new ATOM 0 HG21 ILE A 106 -10.611 2.833 6.845 1.00 9.27 H new ATOM 0 HG22 ILE A 106 -9.342 3.260 5.672 1.00 9.27 H new ATOM 0 HG23 ILE A 106 -9.257 3.877 7.340 1.00 9.27 H new ATOM 0 HD11 ILE A 106 -13.272 4.764 8.478 1.00 10.29 H new ATOM 0 HD12 ILE A 106 -13.348 4.182 6.798 1.00 10.29 H new ATOM 0 HD13 ILE A 106 -12.241 3.411 7.959 1.00 10.29 H new ATOM 1655 N ILE A 107 -7.732 5.358 4.510 1.00 8.33 N ATOM 1656 CA ILE A 107 -6.902 4.911 3.405 1.00 8.06 C ATOM 1657 C ILE A 107 -6.804 3.396 3.438 1.00 8.29 C ATOM 1658 O ILE A 107 -6.224 2.831 4.357 1.00 8.62 O ATOM 1659 CB ILE A 107 -5.482 5.517 3.476 1.00 8.25 C ATOM 1660 CG1 ILE A 107 -5.548 7.039 3.343 1.00 8.19 C ATOM 1661 CG2 ILE A 107 -4.589 4.921 2.393 1.00 8.99 C ATOM 1662 CD1 ILE A 107 -4.208 7.728 3.509 1.00 8.61 C ATOM 0 H ILE A 107 -7.220 5.530 5.375 1.00 8.33 H new ATOM 0 HA ILE A 107 -7.364 5.245 2.476 1.00 8.06 H new ATOM 0 HB ILE A 107 -5.049 5.273 4.446 1.00 8.25 H new ATOM 0 HG12 ILE A 107 -5.957 7.291 2.364 1.00 8.19 H new ATOM 0 HG13 ILE A 107 -6.241 7.429 4.088 1.00 8.19 H new ATOM 0 HG21 ILE A 107 -3.594 5.360 2.460 1.00 8.99 H new ATOM 0 HG22 ILE A 107 -4.519 3.842 2.532 1.00 8.99 H new ATOM 0 HG23 ILE A 107 -5.015 5.134 1.412 1.00 8.99 H new ATOM 0 HD11 ILE A 107 -4.337 8.805 3.401 1.00 8.61 H new ATOM 0 HD12 ILE A 107 -3.806 7.508 4.498 1.00 8.61 H new ATOM 0 HD13 ILE A 107 -3.517 7.367 2.747 1.00 8.61 H new ATOM 1674 N CYS A 108 -7.380 2.738 2.451 1.00 8.31 N ATOM 1675 CA CYS A 108 -7.357 1.286 2.416 1.00 8.72 C ATOM 1676 C CYS A 108 -6.538 0.747 1.250 1.00 8.90 C ATOM 1677 O CYS A 108 -6.860 0.980 0.086 1.00 8.95 O ATOM 1678 CB CYS A 108 -8.782 0.743 2.347 1.00 8.88 C ATOM 1679 SG CYS A 108 -9.744 0.992 3.860 1.00 9.83 S ATOM 0 H CYS A 108 -7.865 3.179 1.669 1.00 8.31 H new ATOM 0 HA CYS A 108 -6.876 0.947 3.334 1.00 8.72 H new ATOM 0 HB2 CYS A 108 -9.301 1.221 1.517 1.00 8.88 H new ATOM 0 HB3 CYS A 108 -8.742 -0.324 2.126 1.00 8.88 H new ATOM 0 HG CYS A 108 -10.780 1.733 3.599 1.00 9.83 H new ATOM 1685 N THR A 109 -5.465 0.043 1.575 1.00 9.18 N ATOM 1686 CA THR A 109 -4.620 -0.568 0.564 1.00 9.57 C ATOM 1687 C THR A 109 -5.239 -1.900 0.149 1.00 9.52 C ATOM 1688 O THR A 109 -5.279 -2.846 0.937 1.00 9.93 O ATOM 1689 CB THR A 109 -3.192 -0.804 1.095 1.00 10.24 C ATOM 1690 OG1 THR A 109 -2.892 0.140 2.135 1.00 10.47 O ATOM 1691 CG2 THR A 109 -2.169 -0.674 -0.023 1.00 10.84 C ATOM 0 H THR A 109 -5.159 -0.119 2.534 1.00 9.18 H new ATOM 0 HA THR A 109 -4.552 0.105 -0.291 1.00 9.57 H new ATOM 0 HB THR A 109 -3.141 -1.816 1.496 1.00 10.24 H new ATOM 0 HG1 THR A 109 -1.984 -0.018 2.468 1.00 10.47 H new ATOM 0 HG21 THR A 109 -1.169 -0.845 0.377 1.00 10.84 H new ATOM 0 HG22 THR A 109 -2.381 -1.411 -0.798 1.00 10.84 H new ATOM 0 HG23 THR A 109 -2.223 0.327 -0.451 1.00 10.84 H new ATOM 1699 N ASN A 110 -5.743 -1.966 -1.068 1.00 9.26 N ATOM 1700 CA ASN A 110 -6.393 -3.175 -1.558 1.00 9.45 C ATOM 1701 C ASN A 110 -5.384 -4.153 -2.136 1.00 9.54 C ATOM 1702 O ASN A 110 -4.958 -4.017 -3.281 1.00 9.73 O ATOM 1703 CB ASN A 110 -7.446 -2.826 -2.606 1.00 10.33 C ATOM 1704 CG ASN A 110 -8.838 -2.693 -2.015 1.00 10.50 C ATOM 1705 OD1 ASN A 110 -9.003 -2.372 -0.839 1.00 10.11 O ATOM 1706 ND2 ASN A 110 -9.853 -2.944 -2.829 1.00 11.26 N ATOM 0 H ASN A 110 -5.717 -1.198 -1.739 1.00 9.26 H new ATOM 0 HA ASN A 110 -6.880 -3.656 -0.710 1.00 9.45 H new ATOM 0 HB2 ASN A 110 -7.172 -1.890 -3.093 1.00 10.33 H new ATOM 0 HB3 ASN A 110 -7.455 -3.596 -3.377 1.00 10.33 H new ATOM 0 HD21 ASN A 110 -10.811 -2.874 -2.486 1.00 11.26 H new ATOM 0 HD22 ASN A 110 -9.676 -3.208 -3.798 1.00 11.26 H new ATOM 1713 N THR A 111 -5.004 -5.132 -1.329 1.00 9.61 N ATOM 1714 CA THR A 111 -4.053 -6.149 -1.744 1.00 9.91 C ATOM 1715 C THR A 111 -4.769 -7.383 -2.293 1.00 10.65 C ATOM 1716 O THR A 111 -5.422 -8.108 -1.544 1.00 11.22 O ATOM 1717 CB THR A 111 -3.175 -6.590 -0.558 1.00 9.68 C ATOM 1718 OG1 THR A 111 -2.934 -5.478 0.319 1.00 9.38 O ATOM 1719 CG2 THR A 111 -1.855 -7.168 -1.047 1.00 9.85 C ATOM 0 H THR A 111 -5.344 -5.243 -0.374 1.00 9.61 H new ATOM 0 HA THR A 111 -3.433 -5.708 -2.525 1.00 9.91 H new ATOM 0 HB THR A 111 -3.706 -7.367 -0.009 1.00 9.68 H new ATOM 0 HG1 THR A 111 -2.051 -5.097 0.130 1.00 9.38 H new ATOM 0 HG21 THR A 111 -1.252 -7.472 -0.192 1.00 9.85 H new ATOM 0 HG22 THR A 111 -2.049 -8.034 -1.680 1.00 9.85 H new ATOM 0 HG23 THR A 111 -1.317 -6.413 -1.620 1.00 9.85 H new ATOM 1727 N ASN A 112 -4.665 -7.620 -3.593 1.00 10.79 N ATOM 1728 CA ASN A 112 -5.297 -8.794 -4.189 1.00 11.60 C ATOM 1729 C ASN A 112 -4.486 -10.037 -3.851 1.00 12.13 C ATOM 1730 O ASN A 112 -3.358 -10.203 -4.313 1.00 12.20 O ATOM 1731 CB ASN A 112 -5.428 -8.656 -5.711 1.00 11.56 C ATOM 1732 CG ASN A 112 -5.845 -9.957 -6.390 1.00 12.27 C ATOM 1733 OD1 ASN A 112 -5.307 -10.319 -7.437 1.00 12.78 O ATOM 1734 ND2 ASN A 112 -6.813 -10.660 -5.812 1.00 12.44 N ATOM 0 H ASN A 112 -4.157 -7.026 -4.249 1.00 10.79 H new ATOM 0 HA ASN A 112 -6.302 -8.882 -3.776 1.00 11.60 H new ATOM 0 HB2 ASN A 112 -6.161 -7.882 -5.939 1.00 11.56 H new ATOM 0 HB3 ASN A 112 -4.475 -8.325 -6.124 1.00 11.56 H new ATOM 0 HD21 ASN A 112 -7.134 -11.531 -6.236 1.00 12.44 H new ATOM 0 HD22 ASN A 112 -7.236 -10.329 -4.945 1.00 12.44 H new ATOM 1741 N VAL A 113 -5.062 -10.902 -3.036 1.00 12.66 N ATOM 1742 CA VAL A 113 -4.388 -12.123 -2.630 1.00 13.37 C ATOM 1743 C VAL A 113 -4.729 -13.262 -3.582 1.00 13.66 C ATOM 1744 O VAL A 113 -3.840 -13.908 -4.137 1.00 13.93 O ATOM 1745 CB VAL A 113 -4.766 -12.528 -1.190 1.00 14.08 C ATOM 1746 CG1 VAL A 113 -3.956 -13.737 -0.738 1.00 14.64 C ATOM 1747 CG2 VAL A 113 -4.557 -11.364 -0.236 1.00 14.08 C ATOM 0 H VAL A 113 -5.995 -10.782 -2.642 1.00 12.66 H new ATOM 0 HA VAL A 113 -3.316 -11.928 -2.663 1.00 13.37 H new ATOM 0 HB VAL A 113 -5.822 -12.800 -1.180 1.00 14.08 H new ATOM 0 HG11 VAL A 113 -4.239 -14.005 0.280 1.00 14.64 H new ATOM 0 HG12 VAL A 113 -4.155 -14.577 -1.403 1.00 14.64 H new ATOM 0 HG13 VAL A 113 -2.894 -13.495 -0.767 1.00 14.64 H new ATOM 0 HG21 VAL A 113 -4.829 -11.669 0.775 1.00 14.08 H new ATOM 0 HG22 VAL A 113 -3.510 -11.062 -0.255 1.00 14.08 H new ATOM 0 HG23 VAL A 113 -5.182 -10.525 -0.543 1.00 14.08 H new ATOM 1757 N LYS A 114 -6.018 -13.492 -3.778 1.00 13.72 N ATOM 1758 CA LYS A 114 -6.476 -14.558 -4.654 1.00 14.09 C ATOM 1759 C LYS A 114 -7.646 -14.073 -5.499 1.00 14.38 C ATOM 1760 O LYS A 114 -7.406 -13.341 -6.481 1.00 14.73 O ATOM 1761 CB LYS A 114 -6.883 -15.789 -3.833 1.00 14.21 C ATOM 1762 CG LYS A 114 -5.739 -16.406 -3.040 1.00 14.60 C ATOM 1763 CD LYS A 114 -6.239 -17.394 -1.999 1.00 14.94 C ATOM 1764 CE LYS A 114 -6.800 -18.655 -2.640 1.00 15.49 C ATOM 1765 NZ LYS A 114 -6.984 -19.746 -1.646 1.00 16.02 N ATOM 0 H LYS A 114 -6.766 -12.954 -3.341 1.00 13.72 H new ATOM 0 HA LYS A 114 -5.659 -14.842 -5.317 1.00 14.09 H new ATOM 0 HB2 LYS A 114 -7.679 -15.507 -3.144 1.00 14.21 H new ATOM 0 HB3 LYS A 114 -7.294 -16.542 -4.505 1.00 14.21 H new ATOM 0 HG2 LYS A 114 -5.056 -16.912 -3.722 1.00 14.60 H new ATOM 0 HG3 LYS A 114 -5.171 -15.616 -2.548 1.00 14.60 H new ATOM 0 HD2 LYS A 114 -5.422 -17.660 -1.328 1.00 14.94 H new ATOM 0 HD3 LYS A 114 -7.010 -16.922 -1.390 1.00 14.94 H new ATOM 0 HE2 LYS A 114 -7.756 -18.428 -3.112 1.00 15.49 H new ATOM 0 HE3 LYS A 114 -6.127 -18.992 -3.429 1.00 15.49 H new ATOM 0 HZ1 LYS A 114 -7.368 -20.588 -2.121 1.00 16.02 H new ATOM 0 HZ2 LYS A 114 -6.067 -19.980 -1.214 1.00 16.02 H new ATOM 0 HZ3 LYS A 114 -7.646 -19.434 -0.907 1.00 16.02 H new TER 1779 LYS A 114 ATOM 1780 N CYS B 7 -1.966 -16.373 6.228 1.00 7.31 N ATOM 1781 CA CYS B 7 -0.618 -15.864 6.558 1.00 7.09 C ATOM 1782 C CYS B 7 -0.182 -14.821 5.536 1.00 6.74 C ATOM 1783 O CYS B 7 -0.593 -14.867 4.375 1.00 6.90 O ATOM 1784 CB CYS B 7 0.377 -17.022 6.597 1.00 7.27 C ATOM 1785 SG CYS B 7 -0.208 -18.442 7.551 1.00 7.49 S ATOM 0 HA CYS B 7 -0.647 -15.391 7.540 1.00 7.09 H new ATOM 0 HB2 CYS B 7 0.590 -17.342 5.577 1.00 7.27 H new ATOM 0 HB3 CYS B 7 1.316 -16.670 7.023 1.00 7.27 H new ATOM 0 HG CYS B 7 0.693 -19.379 7.532 1.00 7.49 H new ATOM 1791 N GLN B 8 0.645 -13.881 5.970 1.00 6.40 N ATOM 1792 CA GLN B 8 1.125 -12.819 5.097 1.00 6.15 C ATOM 1793 C GLN B 8 2.198 -13.338 4.147 1.00 5.98 C ATOM 1794 O GLN B 8 2.964 -14.235 4.500 1.00 5.98 O ATOM 1795 CB GLN B 8 1.668 -11.655 5.927 1.00 6.04 C ATOM 1796 CG GLN B 8 0.636 -11.026 6.855 1.00 6.41 C ATOM 1797 CD GLN B 8 -0.695 -10.769 6.168 1.00 6.68 C ATOM 1798 OE1 GLN B 8 -0.878 -9.749 5.506 1.00 6.77 O ATOM 1799 NE2 GLN B 8 -1.638 -11.679 6.344 1.00 7.12 N ATOM 0 H GLN B 8 0.999 -13.832 6.925 1.00 6.40 H new ATOM 0 HA GLN B 8 0.285 -12.464 4.500 1.00 6.15 H new ATOM 0 HB2 GLN B 8 2.511 -12.007 6.522 1.00 6.04 H new ATOM 0 HB3 GLN B 8 2.052 -10.889 5.253 1.00 6.04 H new ATOM 0 HG2 GLN B 8 0.477 -11.681 7.711 1.00 6.41 H new ATOM 0 HG3 GLN B 8 1.028 -10.085 7.242 1.00 6.41 H new ATOM 0 HE21 GLN B 8 -1.446 -12.512 6.901 1.00 7.12 H new ATOM 0 HE22 GLN B 8 -2.558 -11.548 5.923 1.00 7.12 H new ATOM 1808 N PRO B 9 2.243 -12.797 2.921 1.00 5.94 N ATOM 1809 CA PRO B 9 3.216 -13.194 1.904 1.00 5.86 C ATOM 1810 C PRO B 9 4.582 -12.535 2.101 1.00 5.25 C ATOM 1811 O PRO B 9 4.854 -11.934 3.142 1.00 4.75 O ATOM 1812 CB PRO B 9 2.583 -12.718 0.587 1.00 6.04 C ATOM 1813 CG PRO B 9 1.260 -12.120 0.954 1.00 6.18 C ATOM 1814 CD PRO B 9 1.342 -11.767 2.407 1.00 6.07 C ATOM 0 HA PRO B 9 3.411 -14.266 1.939 1.00 5.86 H new ATOM 0 HB2 PRO B 9 3.219 -11.984 0.092 1.00 6.04 H new ATOM 0 HB3 PRO B 9 2.456 -13.549 -0.107 1.00 6.04 H new ATOM 0 HG2 PRO B 9 1.053 -11.236 0.351 1.00 6.18 H new ATOM 0 HG3 PRO B 9 0.451 -12.827 0.771 1.00 6.18 H new ATOM 0 HD2 PRO B 9 1.739 -10.764 2.561 1.00 6.07 H new ATOM 0 HD3 PRO B 9 0.366 -11.801 2.891 1.00 6.07 H new ATOM 1822 N THR B 10 5.430 -12.638 1.087 1.00 5.38 N ATOM 1823 CA THR B 10 6.764 -12.066 1.137 1.00 4.87 C ATOM 1824 C THR B 10 6.811 -10.727 0.406 1.00 4.51 C ATOM 1825 O THR B 10 7.710 -10.469 -0.399 1.00 4.85 O ATOM 1826 CB THR B 10 7.786 -13.031 0.517 1.00 5.16 C ATOM 1827 OG1 THR B 10 7.109 -13.972 -0.329 1.00 5.81 O ATOM 1828 CG2 THR B 10 8.557 -13.775 1.597 1.00 5.01 C ATOM 0 H THR B 10 5.213 -13.117 0.213 1.00 5.38 H new ATOM 0 HA THR B 10 7.018 -11.901 2.184 1.00 4.87 H new ATOM 0 HB THR B 10 8.495 -12.450 -0.073 1.00 5.16 H new ATOM 0 HG1 THR B 10 7.763 -14.585 -0.725 1.00 5.81 H new ATOM 0 HG21 THR B 10 9.274 -14.452 1.132 1.00 5.01 H new ATOM 0 HG22 THR B 10 9.088 -13.059 2.224 1.00 5.01 H new ATOM 0 HG23 THR B 10 7.862 -14.349 2.210 1.00 5.01 H new ATOM 1836 N GLU B 11 5.835 -9.882 0.694 1.00 4.02 N ATOM 1837 CA GLU B 11 5.742 -8.564 0.090 1.00 3.81 C ATOM 1838 C GLU B 11 5.026 -7.636 1.061 1.00 3.79 C ATOM 1839 O GLU B 11 4.222 -8.105 1.859 1.00 4.04 O ATOM 1840 CB GLU B 11 5.009 -8.641 -1.261 1.00 4.37 C ATOM 1841 CG GLU B 11 3.618 -8.025 -1.269 1.00 4.33 C ATOM 1842 CD GLU B 11 2.519 -9.064 -1.249 1.00 5.46 C ATOM 1843 OE1 GLU B 11 2.500 -9.927 -2.153 1.00 5.61 O ATOM 1844 OE2 GLU B 11 1.660 -9.011 -0.345 1.00 5.85 O ATOM 0 H GLU B 11 5.085 -10.091 1.353 1.00 4.02 H new ATOM 0 HA GLU B 11 6.739 -8.171 -0.109 1.00 3.81 H new ATOM 0 HB2 GLU B 11 5.616 -8.142 -2.017 1.00 4.37 H new ATOM 0 HB3 GLU B 11 4.929 -9.687 -1.556 1.00 4.37 H new ATOM 0 HG2 GLU B 11 3.510 -7.371 -0.404 1.00 4.33 H new ATOM 0 HG3 GLU B 11 3.506 -7.401 -2.156 1.00 4.33 H new ATOM 1851 N PHE B 12 5.317 -6.341 1.014 1.00 3.64 N ATOM 1852 CA PHE B 12 4.670 -5.399 1.921 1.00 3.90 C ATOM 1853 C PHE B 12 4.779 -3.961 1.425 1.00 3.61 C ATOM 1854 O PHE B 12 5.650 -3.623 0.619 1.00 3.37 O ATOM 1855 CB PHE B 12 5.243 -5.517 3.344 1.00 3.97 C ATOM 1856 CG PHE B 12 6.636 -4.976 3.518 1.00 5.41 C ATOM 1857 CD1 PHE B 12 7.731 -5.671 3.033 1.00 5.81 C ATOM 1858 CD2 PHE B 12 6.849 -3.780 4.186 1.00 5.41 C ATOM 1859 CE1 PHE B 12 9.011 -5.183 3.204 1.00 6.08 C ATOM 1860 CE2 PHE B 12 8.127 -3.287 4.364 1.00 5.75 C ATOM 1861 CZ PHE B 12 9.210 -3.989 3.871 1.00 4.19 C ATOM 0 H PHE B 12 5.987 -5.923 0.368 1.00 3.64 H new ATOM 0 HA PHE B 12 3.612 -5.662 1.947 1.00 3.90 H new ATOM 0 HB2 PHE B 12 4.578 -4.994 4.031 1.00 3.97 H new ATOM 0 HB3 PHE B 12 5.239 -6.568 3.635 1.00 3.97 H new ATOM 0 HD1 PHE B 12 7.582 -6.607 2.514 1.00 5.81 H new ATOM 0 HD2 PHE B 12 6.005 -3.227 4.572 1.00 5.41 H new ATOM 0 HE1 PHE B 12 9.856 -5.734 2.817 1.00 6.08 H new ATOM 0 HE2 PHE B 12 8.279 -2.355 4.887 1.00 5.75 H new ATOM 0 HZ PHE B 12 10.210 -3.605 4.007 1.00 4.19 H new ATOM 1871 N ILE B 13 3.876 -3.124 1.922 1.00 4.06 N ATOM 1872 CA ILE B 13 3.835 -1.715 1.569 1.00 4.31 C ATOM 1873 C ILE B 13 4.781 -0.913 2.457 1.00 4.64 C ATOM 1874 O ILE B 13 4.632 -0.889 3.682 1.00 5.17 O ATOM 1875 CB ILE B 13 2.396 -1.160 1.708 1.00 4.65 C ATOM 1876 CG1 ILE B 13 1.498 -1.732 0.606 1.00 5.25 C ATOM 1877 CG2 ILE B 13 2.383 0.363 1.669 1.00 4.81 C ATOM 1878 CD1 ILE B 13 1.909 -1.319 -0.793 1.00 5.57 C ATOM 0 H ILE B 13 3.151 -3.406 2.582 1.00 4.06 H new ATOM 0 HA ILE B 13 4.154 -1.618 0.531 1.00 4.31 H new ATOM 0 HB ILE B 13 2.007 -1.471 2.678 1.00 4.65 H new ATOM 0 HG12 ILE B 13 1.507 -2.820 0.671 1.00 5.25 H new ATOM 0 HG13 ILE B 13 0.472 -1.411 0.783 1.00 5.25 H new ATOM 0 HG21 ILE B 13 1.358 0.721 1.769 1.00 4.81 H new ATOM 0 HG22 ILE B 13 2.985 0.753 2.489 1.00 4.81 H new ATOM 0 HG23 ILE B 13 2.796 0.706 0.721 1.00 4.81 H new ATOM 0 HD11 ILE B 13 1.227 -1.762 -1.518 1.00 5.57 H new ATOM 0 HD12 ILE B 13 1.872 -0.233 -0.877 1.00 5.57 H new ATOM 0 HD13 ILE B 13 2.924 -1.664 -0.991 1.00 5.57 H new ATOM 1890 N SER B 14 5.761 -0.276 1.840 1.00 4.50 N ATOM 1891 CA SER B 14 6.726 0.523 2.573 1.00 4.98 C ATOM 1892 C SER B 14 6.569 2.004 2.237 1.00 5.30 C ATOM 1893 O SER B 14 7.191 2.511 1.303 1.00 4.82 O ATOM 1894 CB SER B 14 8.144 0.050 2.245 1.00 4.87 C ATOM 1895 OG SER B 14 8.139 -1.298 1.804 1.00 4.53 O ATOM 0 H SER B 14 5.909 -0.297 0.831 1.00 4.50 H new ATOM 0 HA SER B 14 6.545 0.397 3.641 1.00 4.98 H new ATOM 0 HB2 SER B 14 8.575 0.688 1.473 1.00 4.87 H new ATOM 0 HB3 SER B 14 8.777 0.146 3.127 1.00 4.87 H new ATOM 0 HG SER B 14 8.120 -1.896 2.580 1.00 4.53 H new ATOM 1901 N ARG B 15 5.719 2.692 2.989 1.00 6.21 N ATOM 1902 CA ARG B 15 5.489 4.114 2.772 1.00 6.71 C ATOM 1903 C ARG B 15 6.572 4.915 3.481 1.00 7.20 C ATOM 1904 O ARG B 15 6.626 4.945 4.710 1.00 7.59 O ATOM 1905 CB ARG B 15 4.107 4.527 3.289 1.00 7.25 C ATOM 1906 CG ARG B 15 2.972 3.684 2.730 1.00 7.11 C ATOM 1907 CD ARG B 15 1.817 3.568 3.714 1.00 7.81 C ATOM 1908 NE ARG B 15 0.876 4.681 3.599 1.00 7.98 N ATOM 1909 CZ ARG B 15 -0.423 4.536 3.335 1.00 8.52 C ATOM 1910 NH1 ARG B 15 -0.946 3.322 3.200 1.00 8.97 N ATOM 1911 NH2 ARG B 15 -1.197 5.607 3.209 1.00 8.77 N ATOM 0 H ARG B 15 5.178 2.288 3.754 1.00 6.21 H new ATOM 0 HA ARG B 15 5.526 4.317 1.702 1.00 6.71 H new ATOM 0 HB2 ARG B 15 4.099 4.457 4.377 1.00 7.25 H new ATOM 0 HB3 ARG B 15 3.931 5.572 3.036 1.00 7.25 H new ATOM 0 HG2 ARG B 15 2.614 4.126 1.800 1.00 7.11 H new ATOM 0 HG3 ARG B 15 3.344 2.689 2.487 1.00 7.11 H new ATOM 0 HD2 ARG B 15 1.289 2.630 3.542 1.00 7.81 H new ATOM 0 HD3 ARG B 15 2.210 3.531 4.730 1.00 7.81 H new ATOM 0 HE ARG B 15 1.235 5.627 3.729 1.00 7.98 H new ATOM 0 HH11 ARG B 15 -0.353 2.498 3.298 1.00 8.97 H new ATOM 0 HH12 ARG B 15 -1.940 3.214 2.998 1.00 8.97 H new ATOM 0 HH21 ARG B 15 -0.798 6.540 3.314 1.00 8.77 H new ATOM 0 HH22 ARG B 15 -2.191 5.497 3.007 1.00 8.77 H new ATOM 1925 N HIS B 16 7.441 5.545 2.710 1.00 7.22 N ATOM 1926 CA HIS B 16 8.529 6.328 3.279 1.00 7.74 C ATOM 1927 C HIS B 16 8.684 7.647 2.538 1.00 8.16 C ATOM 1928 O HIS B 16 8.193 7.795 1.421 1.00 8.31 O ATOM 1929 CB HIS B 16 9.847 5.539 3.232 1.00 7.44 C ATOM 1930 CG HIS B 16 10.325 5.200 1.851 1.00 7.53 C ATOM 1931 ND1 HIS B 16 10.934 6.112 1.016 1.00 7.88 N ATOM 1932 CD2 HIS B 16 10.292 4.034 1.166 1.00 7.45 C ATOM 1933 CE1 HIS B 16 11.252 5.525 -0.120 1.00 7.94 C ATOM 1934 NE2 HIS B 16 10.874 4.263 -0.058 1.00 7.70 N ATOM 0 H HIS B 16 7.417 5.531 1.690 1.00 7.22 H new ATOM 0 HA HIS B 16 8.286 6.539 4.320 1.00 7.74 H new ATOM 0 HB2 HIS B 16 10.620 6.118 3.737 1.00 7.44 H new ATOM 0 HB3 HIS B 16 9.722 4.615 3.796 1.00 7.44 H new ATOM 0 HD1 HIS B 16 11.111 7.091 1.243 1.00 7.88 H new ATOM 0 HD2 HIS B 16 9.884 3.097 1.516 1.00 7.45 H new ATOM 0 HE1 HIS B 16 11.740 5.997 -0.960 1.00 7.94 H new ATOM 1943 N ASN B 17 9.375 8.596 3.153 1.00 8.44 N ATOM 1944 CA ASN B 17 9.594 9.898 2.534 1.00 8.93 C ATOM 1945 C ASN B 17 10.703 9.804 1.483 1.00 8.16 C ATOM 1946 O ASN B 17 11.334 8.752 1.335 1.00 7.25 O ATOM 1947 CB ASN B 17 9.910 10.961 3.604 1.00 9.72 C ATOM 1948 CG ASN B 17 11.371 11.016 4.022 1.00 10.00 C ATOM 1949 OD1 ASN B 17 12.090 10.016 3.989 1.00 9.52 O ATOM 1950 ND2 ASN B 17 11.814 12.194 4.433 1.00 10.83 N ATOM 0 H ASN B 17 9.793 8.491 4.077 1.00 8.44 H new ATOM 0 HA ASN B 17 8.680 10.208 2.027 1.00 8.93 H new ATOM 0 HB2 ASN B 17 9.616 11.940 3.224 1.00 9.72 H new ATOM 0 HB3 ASN B 17 9.300 10.765 4.485 1.00 9.72 H new ATOM 0 HD21 ASN B 17 12.782 12.297 4.737 1.00 10.83 H new ATOM 0 HD22 ASN B 17 11.187 12.999 4.446 1.00 10.83 H new ATOM 1957 N ILE B 18 10.940 10.896 0.763 1.00 8.56 N ATOM 1958 CA ILE B 18 11.954 10.930 -0.293 1.00 7.97 C ATOM 1959 C ILE B 18 13.363 10.619 0.217 1.00 8.14 C ATOM 1960 O ILE B 18 14.220 10.178 -0.549 1.00 8.11 O ATOM 1961 CB ILE B 18 11.978 12.295 -1.012 1.00 8.20 C ATOM 1962 CG1 ILE B 18 12.163 13.431 -0.002 1.00 8.36 C ATOM 1963 CG2 ILE B 18 10.702 12.492 -1.820 1.00 8.89 C ATOM 1964 CD1 ILE B 18 12.542 14.749 -0.637 1.00 8.53 C ATOM 0 H ILE B 18 10.441 11.777 0.891 1.00 8.56 H new ATOM 0 HA ILE B 18 11.664 10.147 -0.993 1.00 7.97 H new ATOM 0 HB ILE B 18 12.824 12.311 -1.699 1.00 8.20 H new ATOM 0 HG12 ILE B 18 11.238 13.561 0.560 1.00 8.36 H new ATOM 0 HG13 ILE B 18 12.934 13.147 0.714 1.00 8.36 H new ATOM 0 HG21 ILE B 18 10.734 13.459 -2.321 1.00 8.89 H new ATOM 0 HG22 ILE B 18 10.617 11.700 -2.564 1.00 8.89 H new ATOM 0 HG23 ILE B 18 9.840 12.457 -1.153 1.00 8.89 H new ATOM 0 HD11 ILE B 18 12.656 15.507 0.138 1.00 8.53 H new ATOM 0 HD12 ILE B 18 13.483 14.636 -1.176 1.00 8.53 H new ATOM 0 HD13 ILE B 18 11.761 15.056 -1.332 1.00 8.53 H new ATOM 1976 N GLU B 19 13.606 10.844 1.501 1.00 8.43 N ATOM 1977 CA GLU B 19 14.920 10.586 2.075 1.00 8.81 C ATOM 1978 C GLU B 19 15.127 9.094 2.317 1.00 8.59 C ATOM 1979 O GLU B 19 16.259 8.619 2.410 1.00 8.52 O ATOM 1980 CB GLU B 19 15.092 11.353 3.382 1.00 9.86 C ATOM 1981 CG GLU B 19 15.041 12.860 3.209 1.00 10.25 C ATOM 1982 CD GLU B 19 15.188 13.600 4.519 1.00 11.31 C ATOM 1983 OE1 GLU B 19 14.227 13.600 5.315 1.00 11.92 O ATOM 1984 OE2 GLU B 19 16.263 14.189 4.754 1.00 11.62 O ATOM 0 H GLU B 19 12.916 11.202 2.161 1.00 8.43 H new ATOM 0 HA GLU B 19 15.670 10.928 1.362 1.00 8.81 H new ATOM 0 HB2 GLU B 19 14.311 11.048 4.079 1.00 9.86 H new ATOM 0 HB3 GLU B 19 16.046 11.079 3.833 1.00 9.86 H new ATOM 0 HG2 GLU B 19 15.834 13.171 2.529 1.00 10.25 H new ATOM 0 HG3 GLU B 19 14.095 13.137 2.743 1.00 10.25 H new ATOM 1991 N GLY B 20 14.032 8.356 2.422 1.00 8.56 N ATOM 1992 CA GLY B 20 14.125 6.929 2.649 1.00 8.44 C ATOM 1993 C GLY B 20 13.610 6.529 4.011 1.00 8.57 C ATOM 1994 O GLY B 20 13.481 5.341 4.303 1.00 8.52 O ATOM 0 H GLY B 20 13.081 8.720 2.354 1.00 8.56 H new ATOM 0 HA2 GLY B 20 13.558 6.404 1.880 1.00 8.44 H new ATOM 0 HA3 GLY B 20 15.164 6.615 2.550 1.00 8.44 H new ATOM 1998 N ILE B 21 13.313 7.524 4.834 1.00 8.85 N ATOM 1999 CA ILE B 21 12.805 7.290 6.178 1.00 9.05 C ATOM 2000 C ILE B 21 11.390 6.732 6.115 1.00 8.72 C ATOM 2001 O ILE B 21 10.477 7.390 5.610 1.00 8.95 O ATOM 2002 CB ILE B 21 12.815 8.586 7.017 1.00 9.94 C ATOM 2003 CG1 ILE B 21 14.245 9.114 7.168 1.00 9.95 C ATOM 2004 CG2 ILE B 21 12.181 8.355 8.383 1.00 10.87 C ATOM 2005 CD1 ILE B 21 15.141 8.223 8.003 1.00 10.51 C ATOM 0 H ILE B 21 13.416 8.509 4.592 1.00 8.85 H new ATOM 0 HA ILE B 21 13.461 6.565 6.660 1.00 9.05 H new ATOM 0 HB ILE B 21 12.222 9.336 6.493 1.00 9.94 H new ATOM 0 HG12 ILE B 21 14.686 9.231 6.178 1.00 9.95 H new ATOM 0 HG13 ILE B 21 14.210 10.105 7.620 1.00 9.95 H new ATOM 0 HG21 ILE B 21 12.200 9.283 8.955 1.00 10.87 H new ATOM 0 HG22 ILE B 21 11.149 8.029 8.255 1.00 10.87 H new ATOM 0 HG23 ILE B 21 12.740 7.587 8.918 1.00 10.87 H new ATOM 0 HD11 ILE B 21 16.136 8.663 8.064 1.00 10.51 H new ATOM 0 HD12 ILE B 21 14.725 8.126 9.006 1.00 10.51 H new ATOM 0 HD13 ILE B 21 15.207 7.238 7.541 1.00 10.51 H new ATOM 2017 N PHE B 22 11.223 5.510 6.601 1.00 8.23 N ATOM 2018 CA PHE B 22 9.922 4.858 6.599 1.00 7.87 C ATOM 2019 C PHE B 22 8.948 5.576 7.521 1.00 7.79 C ATOM 2020 O PHE B 22 9.201 5.721 8.718 1.00 8.12 O ATOM 2021 CB PHE B 22 10.050 3.397 7.023 1.00 7.86 C ATOM 2022 CG PHE B 22 10.800 2.541 6.042 1.00 7.34 C ATOM 2023 CD1 PHE B 22 10.170 2.033 4.919 1.00 7.10 C ATOM 2024 CD2 PHE B 22 12.134 2.234 6.250 1.00 7.19 C ATOM 2025 CE1 PHE B 22 10.855 1.239 4.021 1.00 6.75 C ATOM 2026 CE2 PHE B 22 12.824 1.439 5.359 1.00 6.90 C ATOM 2027 CZ PHE B 22 12.184 0.940 4.244 1.00 6.69 C ATOM 0 H PHE B 22 11.975 4.949 7.003 1.00 8.23 H new ATOM 0 HA PHE B 22 9.534 4.901 5.581 1.00 7.87 H new ATOM 0 HB2 PHE B 22 10.554 3.352 7.989 1.00 7.86 H new ATOM 0 HB3 PHE B 22 9.052 2.981 7.164 1.00 7.86 H new ATOM 0 HD1 PHE B 22 9.129 2.261 4.743 1.00 7.10 H new ATOM 0 HD2 PHE B 22 12.641 2.622 7.121 1.00 7.19 H new ATOM 0 HE1 PHE B 22 10.352 0.853 3.146 1.00 6.75 H new ATOM 0 HE2 PHE B 22 13.864 1.208 5.534 1.00 6.90 H new ATOM 0 HZ PHE B 22 12.722 0.316 3.546 1.00 6.69 H new ATOM 2037 N THR B 23 7.843 6.028 6.951 1.00 7.44 N ATOM 2038 CA THR B 23 6.819 6.724 7.706 1.00 7.38 C ATOM 2039 C THR B 23 5.764 5.737 8.207 1.00 7.22 C ATOM 2040 O THR B 23 5.290 5.833 9.340 1.00 7.91 O ATOM 2041 CB THR B 23 6.139 7.803 6.842 1.00 7.22 C ATOM 2042 OG1 THR B 23 7.077 8.337 5.890 1.00 7.16 O ATOM 2043 CG2 THR B 23 5.592 8.925 7.710 1.00 7.36 C ATOM 0 H THR B 23 7.633 5.923 5.958 1.00 7.44 H new ATOM 0 HA THR B 23 7.300 7.204 8.558 1.00 7.38 H new ATOM 0 HB THR B 23 5.308 7.340 6.309 1.00 7.22 H new ATOM 0 HG1 THR B 23 6.636 9.021 5.344 1.00 7.16 H new ATOM 0 HG21 THR B 23 5.116 9.675 7.078 1.00 7.36 H new ATOM 0 HG22 THR B 23 4.859 8.521 8.408 1.00 7.36 H new ATOM 0 HG23 THR B 23 6.408 9.385 8.267 1.00 7.36 H new ATOM 2051 N PHE B 24 5.408 4.781 7.357 1.00 6.39 N ATOM 2052 CA PHE B 24 4.416 3.771 7.705 1.00 6.27 C ATOM 2053 C PHE B 24 4.627 2.514 6.871 1.00 5.44 C ATOM 2054 O PHE B 24 4.584 2.558 5.641 1.00 4.71 O ATOM 2055 CB PHE B 24 2.999 4.313 7.497 1.00 6.55 C ATOM 2056 CG PHE B 24 1.924 3.400 8.017 1.00 6.80 C ATOM 2057 CD1 PHE B 24 1.833 3.123 9.372 1.00 7.52 C ATOM 2058 CD2 PHE B 24 1.009 2.820 7.155 1.00 6.51 C ATOM 2059 CE1 PHE B 24 0.848 2.283 9.857 1.00 7.89 C ATOM 2060 CE2 PHE B 24 0.022 1.981 7.633 1.00 6.98 C ATOM 2061 CZ PHE B 24 -0.058 1.712 8.986 1.00 7.64 C ATOM 0 H PHE B 24 5.794 4.684 6.418 1.00 6.39 H new ATOM 0 HA PHE B 24 4.537 3.518 8.758 1.00 6.27 H new ATOM 0 HB2 PHE B 24 2.913 5.281 7.991 1.00 6.55 H new ATOM 0 HB3 PHE B 24 2.836 4.483 6.433 1.00 6.55 H new ATOM 0 HD1 PHE B 24 2.540 3.568 10.057 1.00 7.52 H new ATOM 0 HD2 PHE B 24 1.068 3.026 6.096 1.00 6.51 H new ATOM 0 HE1 PHE B 24 0.787 2.074 10.915 1.00 7.89 H new ATOM 0 HE2 PHE B 24 -0.687 1.536 6.950 1.00 6.98 H new ATOM 0 HZ PHE B 24 -0.829 1.055 9.362 1.00 7.64 H new ATOM 2071 N VAL B 25 4.861 1.398 7.540 1.00 5.71 N ATOM 2072 CA VAL B 25 5.082 0.135 6.856 1.00 5.22 C ATOM 2073 C VAL B 25 3.982 -0.868 7.181 1.00 5.47 C ATOM 2074 O VAL B 25 3.330 -0.781 8.225 1.00 5.85 O ATOM 2075 CB VAL B 25 6.451 -0.481 7.212 1.00 5.58 C ATOM 2076 CG1 VAL B 25 7.574 0.303 6.553 1.00 5.20 C ATOM 2077 CG2 VAL B 25 6.646 -0.541 8.723 1.00 6.10 C ATOM 0 H VAL B 25 4.903 1.341 8.558 1.00 5.71 H new ATOM 0 HA VAL B 25 5.066 0.355 5.789 1.00 5.22 H new ATOM 0 HB VAL B 25 6.475 -1.502 6.831 1.00 5.58 H new ATOM 0 HG11 VAL B 25 8.533 -0.145 6.815 1.00 5.20 H new ATOM 0 HG12 VAL B 25 7.447 0.281 5.471 1.00 5.20 H new ATOM 0 HG13 VAL B 25 7.549 1.336 6.900 1.00 5.20 H new ATOM 0 HG21 VAL B 25 7.619 -0.979 8.947 1.00 6.10 H new ATOM 0 HG22 VAL B 25 6.598 0.466 9.136 1.00 6.10 H new ATOM 0 HG23 VAL B 25 5.861 -1.153 9.167 1.00 6.10 H new ATOM 2087 N ASP B 26 3.779 -1.806 6.267 1.00 5.31 N ATOM 2088 CA ASP B 26 2.772 -2.848 6.429 1.00 5.56 C ATOM 2089 C ASP B 26 3.243 -3.884 7.448 1.00 6.58 C ATOM 2090 O ASP B 26 4.425 -3.943 7.783 1.00 7.15 O ATOM 2091 CB ASP B 26 2.508 -3.523 5.080 1.00 4.87 C ATOM 2092 CG ASP B 26 1.205 -4.298 5.045 1.00 4.97 C ATOM 2093 OD1 ASP B 26 1.178 -5.456 5.508 1.00 5.05 O ATOM 2094 OD2 ASP B 26 0.209 -3.765 4.525 1.00 5.22 O ATOM 0 H ASP B 26 4.305 -1.867 5.395 1.00 5.31 H new ATOM 0 HA ASP B 26 1.849 -2.396 6.792 1.00 5.56 H new ATOM 0 HB2 ASP B 26 2.493 -2.764 4.298 1.00 4.87 H new ATOM 0 HB3 ASP B 26 3.332 -4.199 4.852 1.00 4.87 H new ATOM 2099 N HIS B 27 2.328 -4.713 7.926 1.00 6.95 N ATOM 2100 CA HIS B 27 2.665 -5.735 8.908 1.00 8.01 C ATOM 2101 C HIS B 27 3.253 -6.969 8.232 1.00 8.33 C ATOM 2102 O HIS B 27 3.757 -7.872 8.897 1.00 8.59 O ATOM 2103 CB HIS B 27 1.433 -6.120 9.725 1.00 8.34 C ATOM 2104 CG HIS B 27 1.247 -5.280 10.948 1.00 8.39 C ATOM 2105 ND1 HIS B 27 0.778 -5.782 12.141 1.00 8.80 N ATOM 2106 CD2 HIS B 27 1.472 -3.963 11.162 1.00 8.34 C ATOM 2107 CE1 HIS B 27 0.723 -4.814 13.034 1.00 8.97 C ATOM 2108 NE2 HIS B 27 1.141 -3.700 12.465 1.00 8.70 N ATOM 0 H HIS B 27 1.346 -4.699 7.651 1.00 6.95 H new ATOM 0 HA HIS B 27 3.417 -5.320 9.579 1.00 8.01 H new ATOM 0 HB2 HIS B 27 0.547 -6.034 9.096 1.00 8.34 H new ATOM 0 HB3 HIS B 27 1.514 -7.166 10.020 1.00 8.34 H new ATOM 0 HD2 HIS B 27 1.844 -3.251 10.440 1.00 8.34 H new ATOM 0 HE1 HIS B 27 0.392 -4.916 14.057 1.00 8.97 H new ATOM 0 HE2 HIS B 27 1.207 -2.790 12.921 1.00 8.70 H new ATOM 2117 N ARG B 28 3.194 -6.990 6.905 1.00 8.41 N ATOM 2118 CA ARG B 28 3.712 -8.105 6.118 1.00 8.82 C ATOM 2119 C ARG B 28 5.241 -8.184 6.173 1.00 9.34 C ATOM 2120 O ARG B 28 5.824 -9.206 5.810 1.00 9.76 O ATOM 2121 CB ARG B 28 3.270 -7.963 4.661 1.00 8.65 C ATOM 2122 CG ARG B 28 1.866 -8.465 4.375 1.00 9.09 C ATOM 2123 CD ARG B 28 1.404 -8.060 2.981 1.00 9.23 C ATOM 2124 NE ARG B 28 1.019 -6.653 2.929 1.00 9.07 N ATOM 2125 CZ ARG B 28 0.744 -5.986 1.807 1.00 9.17 C ATOM 2126 NH1 ARG B 28 0.902 -6.560 0.619 1.00 9.42 N ATOM 2127 NH2 ARG B 28 0.324 -4.728 1.876 1.00 9.14 N ATOM 0 H ARG B 28 2.788 -6.239 6.346 1.00 8.41 H new ATOM 0 HA ARG B 28 3.309 -9.022 6.548 1.00 8.82 H new ATOM 0 HB2 ARG B 28 3.331 -6.912 4.377 1.00 8.65 H new ATOM 0 HB3 ARG B 28 3.972 -8.505 4.028 1.00 8.65 H new ATOM 0 HG2 ARG B 28 1.840 -9.551 4.467 1.00 9.09 H new ATOM 0 HG3 ARG B 28 1.177 -8.066 5.119 1.00 9.09 H new ATOM 0 HD2 ARG B 28 2.204 -8.245 2.264 1.00 9.23 H new ATOM 0 HD3 ARG B 28 0.559 -8.680 2.683 1.00 9.23 H new ATOM 0 HE ARG B 28 0.956 -6.145 3.811 1.00 9.07 H new ATOM 0 HH11 ARG B 28 1.237 -7.521 0.558 1.00 9.42 H new ATOM 0 HH12 ARG B 28 0.688 -6.039 -0.232 1.00 9.42 H new ATOM 0 HH21 ARG B 28 0.213 -4.276 2.784 1.00 9.14 H new ATOM 0 HH22 ARG B 28 0.112 -4.213 1.021 1.00 9.14 H new ATOM 2141 N CYS B 29 5.883 -7.114 6.639 1.00 9.40 N ATOM 2142 CA CYS B 29 7.343 -7.060 6.717 1.00 9.95 C ATOM 2143 C CYS B 29 7.908 -8.205 7.561 1.00 10.96 C ATOM 2144 O CYS B 29 9.004 -8.706 7.290 1.00 11.56 O ATOM 2145 CB CYS B 29 7.790 -5.713 7.292 1.00 9.64 C ATOM 2146 SG CYS B 29 7.195 -5.391 8.966 1.00 9.41 S ATOM 0 H CYS B 29 5.414 -6.270 6.969 1.00 9.40 H new ATOM 0 HA CYS B 29 7.733 -7.170 5.705 1.00 9.95 H new ATOM 0 HB2 CYS B 29 8.879 -5.674 7.291 1.00 9.64 H new ATOM 0 HB3 CYS B 29 7.442 -4.916 6.635 1.00 9.64 H new ATOM 0 HG CYS B 29 8.089 -5.779 9.826 1.00 9.41 H new ATOM 2152 N VAL B 30 7.142 -8.630 8.563 1.00 11.19 N ATOM 2153 CA VAL B 30 7.556 -9.708 9.457 1.00 12.16 C ATOM 2154 C VAL B 30 7.726 -11.021 8.694 1.00 12.13 C ATOM 2155 O VAL B 30 8.644 -11.792 8.966 1.00 12.06 O ATOM 2156 CB VAL B 30 6.544 -9.911 10.605 1.00 12.71 C ATOM 2157 CG1 VAL B 30 7.067 -10.918 11.618 1.00 13.64 C ATOM 2158 CG2 VAL B 30 6.229 -8.586 11.283 1.00 12.09 C ATOM 0 H VAL B 30 6.224 -8.240 8.777 1.00 11.19 H new ATOM 0 HA VAL B 30 8.515 -9.415 9.883 1.00 12.16 H new ATOM 0 HB VAL B 30 5.623 -10.307 10.177 1.00 12.71 H new ATOM 0 HG11 VAL B 30 6.336 -11.044 12.417 1.00 13.64 H new ATOM 0 HG12 VAL B 30 7.235 -11.876 11.126 1.00 13.64 H new ATOM 0 HG13 VAL B 30 8.006 -10.557 12.039 1.00 13.64 H new ATOM 0 HG21 VAL B 30 5.514 -8.751 12.089 1.00 12.09 H new ATOM 0 HG22 VAL B 30 7.145 -8.160 11.692 1.00 12.09 H new ATOM 0 HG23 VAL B 30 5.802 -7.897 10.554 1.00 12.09 H new ATOM 2168 N ALA B 31 6.842 -11.276 7.741 1.00 12.22 N ATOM 2169 CA ALA B 31 6.920 -12.491 6.946 1.00 12.23 C ATOM 2170 C ALA B 31 7.815 -12.289 5.726 1.00 12.35 C ATOM 2171 O ALA B 31 8.281 -13.254 5.120 1.00 12.90 O ATOM 2172 CB ALA B 31 5.531 -12.934 6.518 1.00 12.06 C ATOM 0 H ALA B 31 6.065 -10.660 7.500 1.00 12.22 H new ATOM 0 HA ALA B 31 7.361 -13.273 7.564 1.00 12.23 H new ATOM 0 HB1 ALA B 31 5.607 -13.845 5.924 1.00 12.06 H new ATOM 0 HB2 ALA B 31 4.922 -13.127 7.401 1.00 12.06 H new ATOM 0 HB3 ALA B 31 5.066 -12.149 5.921 1.00 12.06 H new ATOM 2178 N THR B 32 8.063 -11.031 5.384 1.00 11.87 N ATOM 2179 CA THR B 32 8.890 -10.702 4.231 1.00 11.93 C ATOM 2180 C THR B 32 10.382 -10.807 4.552 1.00 12.13 C ATOM 2181 O THR B 32 11.107 -11.574 3.915 1.00 12.07 O ATOM 2182 CB THR B 32 8.579 -9.282 3.716 1.00 11.28 C ATOM 2183 OG1 THR B 32 7.177 -9.154 3.450 1.00 10.74 O ATOM 2184 CG2 THR B 32 9.364 -8.973 2.450 1.00 11.32 C ATOM 0 H THR B 32 7.703 -10.222 5.889 1.00 11.87 H new ATOM 0 HA THR B 32 8.651 -11.430 3.455 1.00 11.93 H new ATOM 0 HB THR B 32 8.874 -8.572 4.489 1.00 11.28 H new ATOM 0 HG1 THR B 32 6.681 -9.173 4.295 1.00 10.74 H new ATOM 0 HG21 THR B 32 9.124 -7.965 2.110 1.00 11.32 H new ATOM 0 HG22 THR B 32 10.432 -9.041 2.658 1.00 11.32 H new ATOM 0 HG23 THR B 32 9.099 -9.690 1.673 1.00 11.32 H new ATOM 2192 N VAL B 33 10.844 -10.042 5.536 1.00 12.47 N ATOM 2193 CA VAL B 33 12.260 -10.058 5.897 1.00 12.77 C ATOM 2194 C VAL B 33 12.473 -10.302 7.387 1.00 13.33 C ATOM 2195 O VAL B 33 13.610 -10.363 7.851 1.00 13.87 O ATOM 2196 CB VAL B 33 12.963 -8.741 5.503 1.00 12.98 C ATOM 2197 CG1 VAL B 33 13.242 -8.709 4.009 1.00 12.95 C ATOM 2198 CG2 VAL B 33 12.133 -7.535 5.920 1.00 13.04 C ATOM 0 H VAL B 33 10.268 -9.410 6.092 1.00 12.47 H new ATOM 0 HA VAL B 33 12.699 -10.885 5.339 1.00 12.77 H new ATOM 0 HB VAL B 33 13.915 -8.695 6.032 1.00 12.98 H new ATOM 0 HG11 VAL B 33 13.738 -7.773 3.751 1.00 12.95 H new ATOM 0 HG12 VAL B 33 13.886 -9.546 3.741 1.00 12.95 H new ATOM 0 HG13 VAL B 33 12.302 -8.785 3.462 1.00 12.95 H new ATOM 0 HG21 VAL B 33 12.650 -6.620 5.631 1.00 13.04 H new ATOM 0 HG22 VAL B 33 11.162 -7.574 5.427 1.00 13.04 H new ATOM 0 HG23 VAL B 33 11.992 -7.546 7.001 1.00 13.04 H new ATOM 2208 N GLY B 34 11.386 -10.419 8.136 1.00 13.22 N ATOM 2209 CA GLY B 34 11.492 -10.656 9.565 1.00 13.79 C ATOM 2210 C GLY B 34 11.609 -9.372 10.360 1.00 13.48 C ATOM 2211 O GLY B 34 11.341 -9.350 11.561 1.00 13.67 O ATOM 0 H GLY B 34 10.432 -10.354 7.782 1.00 13.22 H new ATOM 0 HA2 GLY B 34 10.617 -11.211 9.904 1.00 13.79 H new ATOM 0 HA3 GLY B 34 12.362 -11.282 9.762 1.00 13.79 H new ATOM 2215 N TYR B 35 12.006 -8.301 9.686 1.00 13.06 N ATOM 2216 CA TYR B 35 12.158 -7.003 10.325 1.00 12.84 C ATOM 2217 C TYR B 35 10.820 -6.504 10.853 1.00 12.88 C ATOM 2218 O TYR B 35 9.819 -6.505 10.133 1.00 12.93 O ATOM 2219 CB TYR B 35 12.733 -5.986 9.339 1.00 12.71 C ATOM 2220 CG TYR B 35 14.233 -5.829 9.433 1.00 13.12 C ATOM 2221 CD1 TYR B 35 14.812 -5.171 10.510 1.00 13.55 C ATOM 2222 CD2 TYR B 35 15.070 -6.336 8.449 1.00 13.47 C ATOM 2223 CE1 TYR B 35 16.182 -5.024 10.605 1.00 14.27 C ATOM 2224 CE2 TYR B 35 16.440 -6.192 8.536 1.00 14.23 C ATOM 2225 CZ TYR B 35 16.991 -5.537 9.616 1.00 14.46 C ATOM 2226 OH TYR B 35 18.356 -5.395 9.705 1.00 15.38 O ATOM 0 H TYR B 35 12.230 -8.307 8.691 1.00 13.06 H new ATOM 0 HA TYR B 35 12.847 -7.117 11.162 1.00 12.84 H new ATOM 0 HB2 TYR B 35 12.471 -6.288 8.325 1.00 12.71 H new ATOM 0 HB3 TYR B 35 12.264 -5.018 9.514 1.00 12.71 H new ATOM 0 HD1 TYR B 35 14.180 -4.767 11.287 1.00 13.55 H new ATOM 0 HD2 TYR B 35 14.643 -6.851 7.602 1.00 13.47 H new ATOM 0 HE1 TYR B 35 16.616 -4.510 11.450 1.00 14.27 H new ATOM 0 HE2 TYR B 35 17.077 -6.591 7.761 1.00 14.23 H new ATOM 0 HH TYR B 35 18.624 -4.544 9.299 1.00 15.38 H new ATOM 2236 N GLN B 36 10.804 -6.097 12.111 1.00 12.95 N ATOM 2237 CA GLN B 36 9.588 -5.590 12.723 1.00 13.09 C ATOM 2238 C GLN B 36 9.289 -4.195 12.184 1.00 13.29 C ATOM 2239 O GLN B 36 10.206 -3.475 11.793 1.00 13.05 O ATOM 2240 CB GLN B 36 9.736 -5.556 14.247 1.00 13.40 C ATOM 2241 CG GLN B 36 10.015 -6.918 14.872 1.00 13.22 C ATOM 2242 CD GLN B 36 8.932 -7.936 14.570 1.00 13.36 C ATOM 2243 OE1 GLN B 36 9.157 -8.765 13.560 1.00 13.78 O flip ATOM 2244 NE2 GLN B 36 7.906 -7.992 15.250 1.00 13.13 N flip ATOM 0 H GLN B 36 11.617 -6.108 12.727 1.00 12.95 H new ATOM 0 HA GLN B 36 8.758 -6.252 12.475 1.00 13.09 H new ATOM 0 HB2 GLN B 36 10.546 -4.875 14.508 1.00 13.40 H new ATOM 0 HB3 GLN B 36 8.823 -5.148 14.682 1.00 13.40 H new ATOM 0 HG2 GLN B 36 10.971 -7.292 14.506 1.00 13.22 H new ATOM 0 HG3 GLN B 36 10.110 -6.805 15.952 1.00 13.22 H new ATOM 0 HE21 GLN B 36 7.768 -7.337 16.020 1.00 13.13 H new ATOM 0 HE22 GLN B 36 7.195 -8.693 15.043 1.00 13.13 H new ATOM 2253 N PRO B 37 8.010 -3.794 12.146 1.00 13.77 N ATOM 2254 CA PRO B 37 7.605 -2.473 11.643 1.00 14.06 C ATOM 2255 C PRO B 37 8.382 -1.327 12.295 1.00 14.37 C ATOM 2256 O PRO B 37 8.765 -0.362 11.633 1.00 14.17 O ATOM 2257 CB PRO B 37 6.124 -2.390 12.017 1.00 14.71 C ATOM 2258 CG PRO B 37 5.671 -3.807 12.091 1.00 14.52 C ATOM 2259 CD PRO B 37 6.852 -4.598 12.580 1.00 14.10 C ATOM 0 HA PRO B 37 7.800 -2.372 10.575 1.00 14.06 H new ATOM 0 HB2 PRO B 37 5.985 -1.880 12.970 1.00 14.71 H new ATOM 0 HB3 PRO B 37 5.558 -1.832 11.271 1.00 14.71 H new ATOM 0 HG2 PRO B 37 4.825 -3.910 12.770 1.00 14.52 H new ATOM 0 HG3 PRO B 37 5.342 -4.162 11.115 1.00 14.52 H new ATOM 0 HD2 PRO B 37 6.832 -4.721 13.663 1.00 14.10 H new ATOM 0 HD3 PRO B 37 6.873 -5.598 12.146 1.00 14.10 H new ATOM 2267 N GLN B 38 8.633 -1.461 13.591 1.00 14.87 N ATOM 2268 CA GLN B 38 9.348 -0.445 14.354 1.00 15.23 C ATOM 2269 C GLN B 38 10.834 -0.401 13.990 1.00 14.56 C ATOM 2270 O GLN B 38 11.541 0.546 14.336 1.00 14.37 O ATOM 2271 CB GLN B 38 9.182 -0.706 15.854 1.00 16.33 C ATOM 2272 CG GLN B 38 7.731 -0.699 16.316 1.00 17.13 C ATOM 2273 CD GLN B 38 7.091 -2.076 16.297 1.00 17.26 C ATOM 2274 OE1 GLN B 38 7.469 -2.948 15.513 1.00 17.15 O ATOM 2275 NE2 GLN B 38 6.108 -2.279 17.158 1.00 17.54 N ATOM 0 H GLN B 38 8.349 -2.272 14.141 1.00 14.87 H new ATOM 0 HA GLN B 38 8.918 0.524 14.102 1.00 15.23 H new ATOM 0 HB2 GLN B 38 9.628 -1.670 16.098 1.00 16.33 H new ATOM 0 HB3 GLN B 38 9.735 0.051 16.410 1.00 16.33 H new ATOM 0 HG2 GLN B 38 7.680 -0.296 17.327 1.00 17.13 H new ATOM 0 HG3 GLN B 38 7.156 -0.029 15.677 1.00 17.13 H new ATOM 0 HE21 GLN B 38 5.823 -1.532 17.792 1.00 17.54 H new ATOM 0 HE22 GLN B 38 5.635 -3.182 17.188 1.00 17.54 H new ATOM 2284 N GLU B 39 11.306 -1.419 13.285 1.00 14.24 N ATOM 2285 CA GLU B 39 12.704 -1.474 12.877 1.00 13.70 C ATOM 2286 C GLU B 39 12.906 -0.704 11.579 1.00 13.37 C ATOM 2287 O GLU B 39 14.026 -0.315 11.244 1.00 13.53 O ATOM 2288 CB GLU B 39 13.161 -2.921 12.703 1.00 13.16 C ATOM 2289 CG GLU B 39 13.043 -3.750 13.969 1.00 13.35 C ATOM 2290 CD GLU B 39 13.832 -5.037 13.890 1.00 12.51 C ATOM 2291 OE1 GLU B 39 15.046 -5.012 14.195 1.00 12.54 O ATOM 2292 OE2 GLU B 39 13.247 -6.078 13.533 1.00 12.57 O ATOM 0 H GLU B 39 10.745 -2.216 12.984 1.00 14.24 H new ATOM 0 HA GLU B 39 13.306 -1.013 13.660 1.00 13.70 H new ATOM 0 HB2 GLU B 39 12.569 -3.388 11.916 1.00 13.16 H new ATOM 0 HB3 GLU B 39 14.199 -2.928 12.369 1.00 13.16 H new ATOM 0 HG2 GLU B 39 13.394 -3.163 14.818 1.00 13.35 H new ATOM 0 HG3 GLU B 39 11.994 -3.981 14.153 1.00 13.35 H new ATOM 2299 N LEU B 40 11.816 -0.491 10.853 1.00 12.99 N ATOM 2300 CA LEU B 40 11.868 0.239 9.596 1.00 12.68 C ATOM 2301 C LEU B 40 11.604 1.722 9.832 1.00 12.42 C ATOM 2302 O LEU B 40 12.306 2.580 9.302 1.00 12.12 O ATOM 2303 CB LEU B 40 10.840 -0.314 8.599 1.00 13.01 C ATOM 2304 CG LEU B 40 11.233 -1.605 7.870 1.00 13.16 C ATOM 2305 CD1 LEU B 40 12.700 -1.579 7.465 1.00 13.20 C ATOM 2306 CD2 LEU B 40 10.932 -2.824 8.728 1.00 14.03 C ATOM 0 H LEU B 40 10.885 -0.814 11.115 1.00 12.99 H new ATOM 0 HA LEU B 40 12.866 0.113 9.176 1.00 12.68 H new ATOM 0 HB2 LEU B 40 9.906 -0.492 9.132 1.00 13.01 H new ATOM 0 HB3 LEU B 40 10.639 0.454 7.852 1.00 13.01 H new ATOM 0 HG LEU B 40 10.634 -1.672 6.962 1.00 13.16 H new ATOM 0 HD11 LEU B 40 12.952 -2.506 6.950 1.00 13.20 H new ATOM 0 HD12 LEU B 40 12.879 -0.734 6.800 1.00 13.20 H new ATOM 0 HD13 LEU B 40 13.321 -1.478 8.355 1.00 13.20 H new ATOM 0 HD21 LEU B 40 11.219 -3.727 8.190 1.00 14.03 H new ATOM 0 HD22 LEU B 40 11.495 -2.762 9.659 1.00 14.03 H new ATOM 0 HD23 LEU B 40 9.866 -2.858 8.951 1.00 14.03 H new ATOM 2318 N LEU B 41 10.588 2.012 10.638 1.00 12.56 N ATOM 2319 CA LEU B 41 10.214 3.391 10.938 1.00 12.35 C ATOM 2320 C LEU B 41 11.375 4.153 11.567 1.00 11.89 C ATOM 2321 O LEU B 41 11.961 3.714 12.561 1.00 11.86 O ATOM 2322 CB LEU B 41 8.997 3.424 11.868 1.00 13.17 C ATOM 2323 CG LEU B 41 7.793 2.600 11.399 1.00 13.46 C ATOM 2324 CD1 LEU B 41 6.638 2.741 12.374 1.00 13.62 C ATOM 2325 CD2 LEU B 41 7.360 3.017 10.004 1.00 13.49 C ATOM 0 H LEU B 41 10.007 1.310 11.096 1.00 12.56 H new ATOM 0 HA LEU B 41 9.956 3.879 9.998 1.00 12.35 H new ATOM 0 HB2 LEU B 41 9.302 3.065 12.851 1.00 13.17 H new ATOM 0 HB3 LEU B 41 8.682 4.460 11.991 1.00 13.17 H new ATOM 0 HG LEU B 41 8.094 1.553 11.364 1.00 13.46 H new ATOM 0 HD11 LEU B 41 5.792 2.149 12.024 1.00 13.62 H new ATOM 0 HD12 LEU B 41 6.947 2.387 13.358 1.00 13.62 H new ATOM 0 HD13 LEU B 41 6.344 3.789 12.441 1.00 13.62 H new ATOM 0 HD21 LEU B 41 6.504 2.417 9.694 1.00 13.49 H new ATOM 0 HD22 LEU B 41 7.082 4.071 10.009 1.00 13.49 H new ATOM 0 HD23 LEU B 41 8.183 2.862 9.306 1.00 13.49 H new ATOM 2337 N GLY B 42 11.706 5.292 10.974 1.00 11.62 N ATOM 2338 CA GLY B 42 12.795 6.107 11.476 1.00 11.31 C ATOM 2339 C GLY B 42 14.126 5.731 10.857 1.00 11.25 C ATOM 2340 O GLY B 42 15.142 6.381 11.101 1.00 11.52 O ATOM 0 H GLY B 42 11.237 5.668 10.150 1.00 11.62 H new ATOM 0 HA2 GLY B 42 12.585 7.157 11.271 1.00 11.31 H new ATOM 0 HA3 GLY B 42 12.857 6.000 12.559 1.00 11.31 H new ATOM 2344 N LYS B 43 14.125 4.679 10.057 1.00 10.99 N ATOM 2345 CA LYS B 43 15.335 4.216 9.403 1.00 11.02 C ATOM 2346 C LYS B 43 15.244 4.436 7.900 1.00 10.14 C ATOM 2347 O LYS B 43 14.152 4.611 7.356 1.00 9.53 O ATOM 2348 CB LYS B 43 15.564 2.733 9.700 1.00 11.75 C ATOM 2349 CG LYS B 43 16.032 2.450 11.119 1.00 12.72 C ATOM 2350 CD LYS B 43 17.530 2.666 11.267 1.00 13.24 C ATOM 2351 CE LYS B 43 17.865 4.126 11.513 1.00 13.72 C ATOM 2352 NZ LYS B 43 19.253 4.451 11.105 1.00 13.82 N ATOM 0 H LYS B 43 13.294 4.127 9.844 1.00 10.99 H new ATOM 0 HA LYS B 43 16.177 4.789 9.791 1.00 11.02 H new ATOM 0 HB2 LYS B 43 14.636 2.190 9.519 1.00 11.75 H new ATOM 0 HB3 LYS B 43 16.303 2.343 9.000 1.00 11.75 H new ATOM 0 HG2 LYS B 43 15.500 3.099 11.815 1.00 12.72 H new ATOM 0 HG3 LYS B 43 15.783 1.423 11.387 1.00 12.72 H new ATOM 0 HD2 LYS B 43 17.905 2.062 12.094 1.00 13.24 H new ATOM 0 HD3 LYS B 43 18.038 2.323 10.366 1.00 13.24 H new ATOM 0 HE2 LYS B 43 17.167 4.756 10.962 1.00 13.72 H new ATOM 0 HE3 LYS B 43 17.734 4.355 12.571 1.00 13.72 H new ATOM 0 HZ1 LYS B 43 19.695 5.054 11.828 1.00 13.82 H new ATOM 0 HZ2 LYS B 43 19.800 3.572 11.005 1.00 13.82 H new ATOM 0 HZ3 LYS B 43 19.238 4.955 10.195 1.00 13.82 H new ATOM 2366 N ASN B 44 16.392 4.448 7.240 1.00 10.16 N ATOM 2367 CA ASN B 44 16.446 4.632 5.799 1.00 9.44 C ATOM 2368 C ASN B 44 16.439 3.276 5.111 1.00 9.58 C ATOM 2369 O ASN B 44 17.115 2.347 5.550 1.00 10.05 O ATOM 2370 CB ASN B 44 17.708 5.402 5.386 1.00 8.98 C ATOM 2371 CG ASN B 44 17.752 6.820 5.921 1.00 8.84 C ATOM 2372 OD1 ASN B 44 18.246 7.064 7.024 1.00 9.30 O ATOM 2373 ND2 ASN B 44 17.268 7.769 5.135 1.00 8.30 N ATOM 0 H ASN B 44 17.303 4.332 7.683 1.00 10.16 H new ATOM 0 HA ASN B 44 15.573 5.210 5.497 1.00 9.44 H new ATOM 0 HB2 ASN B 44 18.586 4.861 5.739 1.00 8.98 H new ATOM 0 HB3 ASN B 44 17.767 5.430 4.298 1.00 8.98 H new ATOM 0 HD21 ASN B 44 17.296 8.743 5.435 1.00 8.30 H new ATOM 0 HD22 ASN B 44 16.867 7.526 4.229 1.00 8.30 H new ATOM 2380 N ILE B 45 15.683 3.163 4.030 1.00 9.27 N ATOM 2381 CA ILE B 45 15.602 1.914 3.281 1.00 9.41 C ATOM 2382 C ILE B 45 16.966 1.535 2.693 1.00 9.62 C ATOM 2383 O ILE B 45 17.280 0.357 2.527 1.00 9.60 O ATOM 2384 CB ILE B 45 14.546 2.017 2.152 1.00 9.37 C ATOM 2385 CG1 ILE B 45 14.492 0.721 1.334 1.00 9.51 C ATOM 2386 CG2 ILE B 45 14.840 3.212 1.256 1.00 9.43 C ATOM 2387 CD1 ILE B 45 13.330 0.661 0.366 1.00 9.46 C ATOM 0 H ILE B 45 15.116 3.920 3.650 1.00 9.27 H new ATOM 0 HA ILE B 45 15.296 1.131 3.975 1.00 9.41 H new ATOM 0 HB ILE B 45 13.568 2.164 2.610 1.00 9.37 H new ATOM 0 HG12 ILE B 45 15.423 0.614 0.777 1.00 9.51 H new ATOM 0 HG13 ILE B 45 14.429 -0.127 2.016 1.00 9.51 H new ATOM 0 HG21 ILE B 45 14.089 3.270 0.468 1.00 9.43 H new ATOM 0 HG22 ILE B 45 14.815 4.126 1.849 1.00 9.43 H new ATOM 0 HG23 ILE B 45 15.827 3.097 0.808 1.00 9.43 H new ATOM 0 HD11 ILE B 45 13.357 -0.284 -0.177 1.00 9.46 H new ATOM 0 HD12 ILE B 45 12.393 0.736 0.917 1.00 9.46 H new ATOM 0 HD13 ILE B 45 13.402 1.488 -0.341 1.00 9.46 H new ATOM 2399 N VAL B 46 17.790 2.542 2.425 1.00 9.93 N ATOM 2400 CA VAL B 46 19.110 2.322 1.850 1.00 10.30 C ATOM 2401 C VAL B 46 20.073 1.692 2.864 1.00 10.43 C ATOM 2402 O VAL B 46 21.086 1.102 2.488 1.00 10.29 O ATOM 2403 CB VAL B 46 19.705 3.648 1.317 1.00 10.71 C ATOM 2404 CG1 VAL B 46 20.213 4.524 2.453 1.00 11.50 C ATOM 2405 CG2 VAL B 46 20.810 3.380 0.310 1.00 11.12 C ATOM 0 H VAL B 46 17.565 3.522 2.598 1.00 9.93 H new ATOM 0 HA VAL B 46 18.986 1.626 1.020 1.00 10.30 H new ATOM 0 HB VAL B 46 18.905 4.189 0.811 1.00 10.71 H new ATOM 0 HG11 VAL B 46 20.624 5.447 2.045 1.00 11.50 H new ATOM 0 HG12 VAL B 46 19.389 4.761 3.126 1.00 11.50 H new ATOM 0 HG13 VAL B 46 20.990 3.993 3.003 1.00 11.50 H new ATOM 0 HG21 VAL B 46 21.212 4.327 -0.050 1.00 11.12 H new ATOM 0 HG22 VAL B 46 21.605 2.806 0.786 1.00 11.12 H new ATOM 0 HG23 VAL B 46 20.407 2.814 -0.530 1.00 11.12 H new ATOM 2415 N GLU B 47 19.738 1.792 4.147 1.00 10.71 N ATOM 2416 CA GLU B 47 20.586 1.242 5.201 1.00 10.91 C ATOM 2417 C GLU B 47 20.573 -0.281 5.172 1.00 11.16 C ATOM 2418 O GLU B 47 21.595 -0.927 5.408 1.00 11.89 O ATOM 2419 CB GLU B 47 20.124 1.728 6.569 1.00 10.79 C ATOM 2420 CG GLU B 47 20.219 3.231 6.752 1.00 10.56 C ATOM 2421 CD GLU B 47 19.914 3.647 8.171 1.00 10.89 C ATOM 2422 OE1 GLU B 47 20.750 3.393 9.060 1.00 11.17 O ATOM 2423 OE2 GLU B 47 18.834 4.221 8.412 1.00 10.95 O ATOM 0 H GLU B 47 18.889 2.247 4.482 1.00 10.71 H new ATOM 0 HA GLU B 47 21.604 1.589 5.022 1.00 10.91 H new ATOM 0 HB2 GLU B 47 19.091 1.418 6.724 1.00 10.79 H new ATOM 0 HB3 GLU B 47 20.722 1.240 7.338 1.00 10.79 H new ATOM 0 HG2 GLU B 47 21.220 3.567 6.483 1.00 10.56 H new ATOM 0 HG3 GLU B 47 19.524 3.724 6.072 1.00 10.56 H new ATOM 2430 N PHE B 48 19.416 -0.852 4.876 1.00 10.58 N ATOM 2431 CA PHE B 48 19.273 -2.300 4.822 1.00 10.76 C ATOM 2432 C PHE B 48 19.353 -2.788 3.382 1.00 9.96 C ATOM 2433 O PHE B 48 18.936 -3.900 3.066 1.00 9.35 O ATOM 2434 CB PHE B 48 17.943 -2.726 5.450 1.00 11.00 C ATOM 2435 CG PHE B 48 17.658 -2.053 6.763 1.00 11.61 C ATOM 2436 CD1 PHE B 48 18.303 -2.459 7.921 1.00 12.05 C ATOM 2437 CD2 PHE B 48 16.748 -1.012 6.838 1.00 11.83 C ATOM 2438 CE1 PHE B 48 18.045 -1.840 9.128 1.00 12.71 C ATOM 2439 CE2 PHE B 48 16.485 -0.387 8.043 1.00 12.47 C ATOM 2440 CZ PHE B 48 17.134 -0.802 9.188 1.00 13.60 C ATOM 0 H PHE B 48 18.561 -0.335 4.669 1.00 10.58 H new ATOM 0 HA PHE B 48 20.089 -2.750 5.388 1.00 10.76 H new ATOM 0 HB2 PHE B 48 17.134 -2.504 4.754 1.00 11.00 H new ATOM 0 HB3 PHE B 48 17.949 -3.806 5.598 1.00 11.00 H new ATOM 0 HD1 PHE B 48 19.016 -3.269 7.879 1.00 12.05 H new ATOM 0 HD2 PHE B 48 16.237 -0.684 5.944 1.00 11.83 H new ATOM 0 HE1 PHE B 48 18.554 -2.166 10.023 1.00 12.71 H new ATOM 0 HE2 PHE B 48 15.773 0.424 8.088 1.00 12.47 H new ATOM 0 HZ PHE B 48 16.930 -0.316 10.131 1.00 13.60 H new ATOM 2450 N CYS B 49 19.892 -1.946 2.516 1.00 10.07 N ATOM 2451 CA CYS B 49 20.028 -2.285 1.113 1.00 9.47 C ATOM 2452 C CYS B 49 21.458 -2.699 0.798 1.00 9.93 C ATOM 2453 O CYS B 49 22.410 -2.190 1.395 1.00 10.81 O ATOM 2454 CB CYS B 49 19.622 -1.097 0.236 1.00 9.48 C ATOM 2455 SG CYS B 49 19.813 -1.384 -1.540 1.00 9.00 S ATOM 0 H CYS B 49 20.243 -1.021 2.763 1.00 10.07 H new ATOM 0 HA CYS B 49 19.367 -3.125 0.899 1.00 9.47 H new ATOM 0 HB2 CYS B 49 18.581 -0.847 0.442 1.00 9.48 H new ATOM 0 HB3 CYS B 49 20.220 -0.231 0.519 1.00 9.48 H new ATOM 0 HG CYS B 49 18.886 -2.198 -1.950 1.00 9.00 H new ATOM 2461 N HIS B 50 21.590 -3.642 -0.125 1.00 9.34 N ATOM 2462 CA HIS B 50 22.887 -4.135 -0.565 1.00 9.67 C ATOM 2463 C HIS B 50 23.747 -2.972 -1.054 1.00 9.57 C ATOM 2464 O HIS B 50 23.288 -2.175 -1.864 1.00 9.10 O ATOM 2465 CB HIS B 50 22.666 -5.145 -1.694 1.00 9.86 C ATOM 2466 CG HIS B 50 23.780 -6.122 -1.907 1.00 10.44 C ATOM 2467 ND1 HIS B 50 24.044 -6.683 -3.135 1.00 10.42 N ATOM 2468 CD2 HIS B 50 24.675 -6.661 -1.049 1.00 11.13 C ATOM 2469 CE1 HIS B 50 25.050 -7.526 -3.024 1.00 11.06 C ATOM 2470 NE2 HIS B 50 25.455 -7.534 -1.769 1.00 11.49 N ATOM 0 H HIS B 50 20.799 -4.087 -0.590 1.00 9.34 H new ATOM 0 HA HIS B 50 23.405 -4.618 0.264 1.00 9.67 H new ATOM 0 HB2 HIS B 50 21.752 -5.701 -1.487 1.00 9.86 H new ATOM 0 HB3 HIS B 50 22.503 -4.597 -2.622 1.00 9.86 H new ATOM 0 HD1 HIS B 50 23.539 -6.478 -3.997 1.00 10.42 H new ATOM 0 HD2 HIS B 50 24.761 -6.446 0.006 1.00 11.13 H new ATOM 0 HE1 HIS B 50 25.472 -8.112 -3.826 1.00 11.06 H new ATOM 2479 N PRO B 51 24.987 -2.850 -0.550 1.00 10.07 N ATOM 2480 CA PRO B 51 25.917 -1.773 -0.930 1.00 10.05 C ATOM 2481 C PRO B 51 25.968 -1.510 -2.436 1.00 9.24 C ATOM 2482 O PRO B 51 25.786 -0.378 -2.886 1.00 9.13 O ATOM 2483 CB PRO B 51 27.263 -2.297 -0.440 1.00 10.76 C ATOM 2484 CG PRO B 51 26.929 -3.135 0.743 1.00 11.35 C ATOM 2485 CD PRO B 51 25.582 -3.746 0.461 1.00 10.77 C ATOM 0 HA PRO B 51 25.616 -0.817 -0.501 1.00 10.05 H new ATOM 0 HB2 PRO B 51 27.766 -2.881 -1.211 1.00 10.76 H new ATOM 0 HB3 PRO B 51 27.933 -1.480 -0.171 1.00 10.76 H new ATOM 0 HG2 PRO B 51 27.682 -3.908 0.897 1.00 11.35 H new ATOM 0 HG3 PRO B 51 26.900 -2.532 1.651 1.00 11.35 H new ATOM 0 HD2 PRO B 51 25.677 -4.765 0.085 1.00 10.77 H new ATOM 0 HD3 PRO B 51 24.969 -3.794 1.361 1.00 10.77 H new ATOM 2493 N GLU B 52 26.179 -2.566 -3.212 1.00 8.71 N ATOM 2494 CA GLU B 52 26.271 -2.451 -4.667 1.00 7.99 C ATOM 2495 C GLU B 52 24.923 -2.120 -5.306 1.00 7.30 C ATOM 2496 O GLU B 52 24.839 -1.908 -6.517 1.00 7.14 O ATOM 2497 CB GLU B 52 26.819 -3.746 -5.268 1.00 7.73 C ATOM 2498 CG GLU B 52 28.070 -4.258 -4.575 1.00 8.39 C ATOM 2499 CD GLU B 52 27.767 -5.321 -3.544 1.00 8.75 C ATOM 2500 OE1 GLU B 52 27.167 -4.992 -2.499 1.00 8.56 O ATOM 2501 OE2 GLU B 52 28.123 -6.496 -3.775 1.00 9.28 O ATOM 0 H GLU B 52 26.290 -3.516 -2.859 1.00 8.71 H new ATOM 0 HA GLU B 52 26.953 -1.628 -4.880 1.00 7.99 H new ATOM 0 HB2 GLU B 52 26.047 -4.514 -5.219 1.00 7.73 H new ATOM 0 HB3 GLU B 52 27.040 -3.582 -6.323 1.00 7.73 H new ATOM 0 HG2 GLU B 52 28.754 -4.664 -5.320 1.00 8.39 H new ATOM 0 HG3 GLU B 52 28.581 -3.425 -4.093 1.00 8.39 H new ATOM 2508 N ASP B 53 23.873 -2.070 -4.502 1.00 6.93 N ATOM 2509 CA ASP B 53 22.538 -1.765 -5.003 1.00 6.34 C ATOM 2510 C ASP B 53 21.985 -0.516 -4.324 1.00 5.91 C ATOM 2511 O ASP B 53 20.875 -0.073 -4.623 1.00 5.54 O ATOM 2512 CB ASP B 53 21.589 -2.946 -4.765 1.00 6.55 C ATOM 2513 CG ASP B 53 22.021 -4.208 -5.487 1.00 6.92 C ATOM 2514 OD1 ASP B 53 22.064 -4.202 -6.737 1.00 6.70 O ATOM 2515 OD2 ASP B 53 22.318 -5.217 -4.812 1.00 7.52 O ATOM 0 H ASP B 53 23.917 -2.237 -3.497 1.00 6.93 H new ATOM 0 HA ASP B 53 22.613 -1.583 -6.075 1.00 6.34 H new ATOM 0 HB2 ASP B 53 21.530 -3.148 -3.695 1.00 6.55 H new ATOM 0 HB3 ASP B 53 20.587 -2.671 -5.093 1.00 6.55 H new ATOM 2520 N GLN B 54 22.779 0.057 -3.421 1.00 6.02 N ATOM 2521 CA GLN B 54 22.378 1.248 -2.678 1.00 5.71 C ATOM 2522 C GLN B 54 22.154 2.431 -3.612 1.00 5.50 C ATOM 2523 O GLN B 54 21.172 3.164 -3.477 1.00 5.31 O ATOM 2524 CB GLN B 54 23.428 1.601 -1.619 1.00 5.84 C ATOM 2525 CG GLN B 54 23.276 0.809 -0.328 1.00 6.08 C ATOM 2526 CD GLN B 54 24.265 1.222 0.748 1.00 6.24 C ATOM 2527 OE1 GLN B 54 25.409 1.587 0.462 1.00 6.57 O ATOM 2528 NE2 GLN B 54 23.826 1.180 1.995 1.00 6.11 N ATOM 0 H GLN B 54 23.710 -0.288 -3.186 1.00 6.02 H new ATOM 0 HA GLN B 54 21.435 1.027 -2.178 1.00 5.71 H new ATOM 0 HB2 GLN B 54 24.422 1.424 -2.030 1.00 5.84 H new ATOM 0 HB3 GLN B 54 23.362 2.665 -1.393 1.00 5.84 H new ATOM 0 HG2 GLN B 54 22.262 0.936 0.051 1.00 6.08 H new ATOM 0 HG3 GLN B 54 23.405 -0.252 -0.543 1.00 6.08 H new ATOM 0 HE21 GLN B 54 22.873 0.872 2.190 1.00 6.11 H new ATOM 0 HE22 GLN B 54 24.440 1.455 2.761 1.00 6.11 H new ATOM 2537 N GLN B 55 23.056 2.608 -4.566 1.00 5.71 N ATOM 2538 CA GLN B 55 22.938 3.700 -5.519 1.00 5.60 C ATOM 2539 C GLN B 55 21.761 3.455 -6.457 1.00 4.67 C ATOM 2540 O GLN B 55 21.027 4.382 -6.798 1.00 4.24 O ATOM 2541 CB GLN B 55 24.233 3.867 -6.317 1.00 6.32 C ATOM 2542 CG GLN B 55 24.154 4.944 -7.390 1.00 6.58 C ATOM 2543 CD GLN B 55 23.639 6.265 -6.849 1.00 6.45 C ATOM 2544 OE1 GLN B 55 23.955 6.657 -5.725 1.00 6.54 O ATOM 2545 NE2 GLN B 55 22.831 6.948 -7.639 1.00 6.35 N ATOM 0 H GLN B 55 23.873 2.013 -4.700 1.00 5.71 H new ATOM 0 HA GLN B 55 22.759 4.622 -4.966 1.00 5.60 H new ATOM 0 HB2 GLN B 55 25.044 4.109 -5.630 1.00 6.32 H new ATOM 0 HB3 GLN B 55 24.486 2.916 -6.786 1.00 6.32 H new ATOM 0 HG2 GLN B 55 25.143 5.093 -7.824 1.00 6.58 H new ATOM 0 HG3 GLN B 55 23.501 4.605 -8.194 1.00 6.58 H new ATOM 0 HE21 GLN B 55 22.595 6.586 -8.563 1.00 6.35 H new ATOM 0 HE22 GLN B 55 22.443 7.837 -7.325 1.00 6.35 H new ATOM 2554 N LEU B 56 21.583 2.201 -6.859 1.00 4.60 N ATOM 2555 CA LEU B 56 20.489 1.826 -7.748 1.00 4.04 C ATOM 2556 C LEU B 56 19.144 2.165 -7.112 1.00 4.15 C ATOM 2557 O LEU B 56 18.225 2.633 -7.788 1.00 4.24 O ATOM 2558 CB LEU B 56 20.553 0.331 -8.077 1.00 3.86 C ATOM 2559 CG LEU B 56 19.434 -0.179 -8.988 1.00 3.93 C ATOM 2560 CD1 LEU B 56 19.543 0.437 -10.373 1.00 3.88 C ATOM 2561 CD2 LEU B 56 19.469 -1.697 -9.075 1.00 4.08 C ATOM 0 H LEU B 56 22.184 1.425 -6.582 1.00 4.60 H new ATOM 0 HA LEU B 56 20.591 2.392 -8.674 1.00 4.04 H new ATOM 0 HB2 LEU B 56 21.512 0.119 -8.551 1.00 3.86 H new ATOM 0 HB3 LEU B 56 20.527 -0.232 -7.144 1.00 3.86 H new ATOM 0 HG LEU B 56 18.479 0.121 -8.556 1.00 3.93 H new ATOM 0 HD11 LEU B 56 18.738 0.060 -11.003 1.00 3.88 H new ATOM 0 HD12 LEU B 56 19.466 1.522 -10.296 1.00 3.88 H new ATOM 0 HD13 LEU B 56 20.504 0.172 -10.815 1.00 3.88 H new ATOM 0 HD21 LEU B 56 18.667 -2.043 -9.727 1.00 4.08 H new ATOM 0 HD22 LEU B 56 20.429 -2.016 -9.481 1.00 4.08 H new ATOM 0 HD23 LEU B 56 19.337 -2.122 -8.080 1.00 4.08 H new ATOM 2573 N LEU B 57 19.040 1.929 -5.810 1.00 4.29 N ATOM 2574 CA LEU B 57 17.818 2.221 -5.074 1.00 4.67 C ATOM 2575 C LEU B 57 17.524 3.715 -5.108 1.00 4.68 C ATOM 2576 O LEU B 57 16.419 4.130 -5.457 1.00 4.66 O ATOM 2577 CB LEU B 57 17.934 1.753 -3.620 1.00 5.46 C ATOM 2578 CG LEU B 57 16.905 0.704 -3.183 1.00 5.72 C ATOM 2579 CD1 LEU B 57 16.859 0.615 -1.667 1.00 6.40 C ATOM 2580 CD2 LEU B 57 15.525 1.031 -3.737 1.00 5.94 C ATOM 0 H LEU B 57 19.790 1.535 -5.242 1.00 4.29 H new ATOM 0 HA LEU B 57 17.000 1.683 -5.552 1.00 4.67 H new ATOM 0 HB2 LEU B 57 18.933 1.344 -3.466 1.00 5.46 H new ATOM 0 HB3 LEU B 57 17.842 2.622 -2.968 1.00 5.46 H new ATOM 0 HG LEU B 57 17.210 -0.262 -3.584 1.00 5.72 H new ATOM 0 HD11 LEU B 57 16.125 -0.133 -1.369 1.00 6.40 H new ATOM 0 HD12 LEU B 57 17.841 0.330 -1.289 1.00 6.40 H new ATOM 0 HD13 LEU B 57 16.578 1.584 -1.254 1.00 6.40 H new ATOM 0 HD21 LEU B 57 14.813 0.272 -3.413 1.00 5.94 H new ATOM 0 HD22 LEU B 57 15.207 2.007 -3.370 1.00 5.94 H new ATOM 0 HD23 LEU B 57 15.565 1.049 -4.826 1.00 5.94 H new ATOM 2592 N ARG B 58 18.530 4.518 -4.767 1.00 4.80 N ATOM 2593 CA ARG B 58 18.377 5.968 -4.752 1.00 4.96 C ATOM 2594 C ARG B 58 18.037 6.494 -6.142 1.00 4.70 C ATOM 2595 O ARG B 58 17.161 7.345 -6.293 1.00 4.35 O ATOM 2596 CB ARG B 58 19.650 6.643 -4.240 1.00 5.25 C ATOM 2597 CG ARG B 58 19.500 8.144 -4.053 1.00 5.73 C ATOM 2598 CD ARG B 58 20.783 8.780 -3.555 1.00 6.55 C ATOM 2599 NE ARG B 58 20.740 10.235 -3.662 1.00 7.05 N ATOM 2600 CZ ARG B 58 21.813 11.006 -3.820 1.00 7.71 C ATOM 2601 NH1 ARG B 58 23.030 10.479 -3.786 1.00 8.02 N ATOM 2602 NH2 ARG B 58 21.672 12.310 -3.996 1.00 8.18 N ATOM 0 H ARG B 58 19.457 4.188 -4.498 1.00 4.80 H new ATOM 0 HA ARG B 58 17.555 6.207 -4.077 1.00 4.96 H new ATOM 0 HB2 ARG B 58 19.935 6.192 -3.290 1.00 5.25 H new ATOM 0 HB3 ARG B 58 20.462 6.450 -4.941 1.00 5.25 H new ATOM 0 HG2 ARG B 58 19.211 8.601 -4.999 1.00 5.73 H new ATOM 0 HG3 ARG B 58 18.696 8.344 -3.344 1.00 5.73 H new ATOM 0 HD2 ARG B 58 20.951 8.496 -2.516 1.00 6.55 H new ATOM 0 HD3 ARG B 58 21.626 8.397 -4.130 1.00 6.55 H new ATOM 0 HE ARG B 58 19.829 10.690 -3.612 1.00 7.05 H new ATOM 0 HH11 ARG B 58 23.148 9.477 -3.638 1.00 8.02 H new ATOM 0 HH12 ARG B 58 23.848 11.076 -3.908 1.00 8.02 H new ATOM 0 HH21 ARG B 58 20.740 12.725 -4.011 1.00 8.18 H new ATOM 0 HH22 ARG B 58 22.495 12.900 -4.117 1.00 8.18 H new ATOM 2616 N ASP B 59 18.725 5.979 -7.155 1.00 5.14 N ATOM 2617 CA ASP B 59 18.480 6.399 -8.529 1.00 5.25 C ATOM 2618 C ASP B 59 17.038 6.108 -8.921 1.00 5.09 C ATOM 2619 O ASP B 59 16.351 6.964 -9.476 1.00 5.01 O ATOM 2620 CB ASP B 59 19.427 5.691 -9.498 1.00 6.03 C ATOM 2621 CG ASP B 59 19.102 6.001 -10.948 1.00 6.00 C ATOM 2622 OD1 ASP B 59 19.360 7.141 -11.394 1.00 6.07 O ATOM 2623 OD2 ASP B 59 18.587 5.107 -11.649 1.00 6.01 O ATOM 0 H ASP B 59 19.454 5.273 -7.051 1.00 5.14 H new ATOM 0 HA ASP B 59 18.662 7.472 -8.587 1.00 5.25 H new ATOM 0 HB2 ASP B 59 20.453 5.992 -9.285 1.00 6.03 H new ATOM 0 HB3 ASP B 59 19.370 4.614 -9.337 1.00 6.03 H new ATOM 2628 N SER B 60 16.582 4.902 -8.605 1.00 5.19 N ATOM 2629 CA SER B 60 15.219 4.498 -8.914 1.00 5.23 C ATOM 2630 C SER B 60 14.218 5.401 -8.192 1.00 5.38 C ATOM 2631 O SER B 60 13.144 5.698 -8.722 1.00 5.59 O ATOM 2632 CB SER B 60 15.008 3.034 -8.536 1.00 5.37 C ATOM 2633 OG SER B 60 15.956 2.210 -9.196 1.00 5.26 O ATOM 0 H SER B 60 17.138 4.188 -8.135 1.00 5.19 H new ATOM 0 HA SER B 60 15.053 4.602 -9.986 1.00 5.23 H new ATOM 0 HB2 SER B 60 15.101 2.914 -7.457 1.00 5.37 H new ATOM 0 HB3 SER B 60 13.998 2.724 -8.805 1.00 5.37 H new ATOM 0 HG SER B 60 16.810 2.246 -8.717 1.00 5.26 H new ATOM 2639 N PHE B 61 14.578 5.846 -6.988 1.00 5.36 N ATOM 2640 CA PHE B 61 13.720 6.742 -6.223 1.00 5.54 C ATOM 2641 C PHE B 61 13.597 8.070 -6.949 1.00 5.60 C ATOM 2642 O PHE B 61 12.528 8.666 -7.009 1.00 5.81 O ATOM 2643 CB PHE B 61 14.273 6.978 -4.814 1.00 5.66 C ATOM 2644 CG PHE B 61 14.098 5.814 -3.886 1.00 6.31 C ATOM 2645 CD1 PHE B 61 13.022 4.951 -4.023 1.00 6.46 C ATOM 2646 CD2 PHE B 61 15.013 5.580 -2.872 1.00 6.89 C ATOM 2647 CE1 PHE B 61 12.864 3.879 -3.169 1.00 7.15 C ATOM 2648 CE2 PHE B 61 14.859 4.511 -2.016 1.00 7.61 C ATOM 2649 CZ PHE B 61 13.784 3.658 -2.163 1.00 7.73 C ATOM 0 H PHE B 61 15.454 5.601 -6.526 1.00 5.36 H new ATOM 0 HA PHE B 61 12.740 6.275 -6.129 1.00 5.54 H new ATOM 0 HB2 PHE B 61 15.334 7.215 -4.887 1.00 5.66 H new ATOM 0 HB3 PHE B 61 13.781 7.850 -4.383 1.00 5.66 H new ATOM 0 HD1 PHE B 61 12.299 5.120 -4.807 1.00 6.46 H new ATOM 0 HD2 PHE B 61 15.857 6.243 -2.751 1.00 6.89 H new ATOM 0 HE1 PHE B 61 12.022 3.213 -3.287 1.00 7.15 H new ATOM 0 HE2 PHE B 61 15.580 4.341 -1.230 1.00 7.61 H new ATOM 0 HZ PHE B 61 13.663 2.820 -1.493 1.00 7.73 H new ATOM 2659 N GLN B 62 14.703 8.522 -7.512 1.00 5.57 N ATOM 2660 CA GLN B 62 14.721 9.771 -8.250 1.00 5.90 C ATOM 2661 C GLN B 62 13.893 9.641 -9.524 1.00 6.02 C ATOM 2662 O GLN B 62 13.225 10.587 -9.945 1.00 5.80 O ATOM 2663 CB GLN B 62 16.156 10.171 -8.592 1.00 6.31 C ATOM 2664 CG GLN B 62 17.012 10.478 -7.376 1.00 6.71 C ATOM 2665 CD GLN B 62 16.529 11.689 -6.597 1.00 6.63 C ATOM 2666 OE1 GLN B 62 15.899 12.627 -7.288 1.00 6.49 O flip ATOM 2667 NE2 GLN B 62 16.718 11.779 -5.383 1.00 6.89 N flip ATOM 0 H GLN B 62 15.602 8.041 -7.472 1.00 5.57 H new ATOM 0 HA GLN B 62 14.285 10.549 -7.624 1.00 5.90 H new ATOM 0 HB2 GLN B 62 16.623 9.366 -9.159 1.00 6.31 H new ATOM 0 HB3 GLN B 62 16.135 11.047 -9.240 1.00 6.31 H new ATOM 0 HG2 GLN B 62 17.021 9.610 -6.717 1.00 6.71 H new ATOM 0 HG3 GLN B 62 18.040 10.646 -7.696 1.00 6.71 H new ATOM 0 HE21 GLN B 62 17.208 11.035 -4.887 1.00 6.89 H new ATOM 0 HE22 GLN B 62 16.385 12.598 -4.874 1.00 6.89 H new ATOM 2676 N GLN B 63 13.935 8.460 -10.125 1.00 6.58 N ATOM 2677 CA GLN B 63 13.196 8.196 -11.354 1.00 6.98 C ATOM 2678 C GLN B 63 11.691 8.164 -11.106 1.00 7.01 C ATOM 2679 O GLN B 63 10.920 8.751 -11.866 1.00 7.34 O ATOM 2680 CB GLN B 63 13.634 6.872 -11.975 1.00 7.70 C ATOM 2681 CG GLN B 63 15.109 6.818 -12.325 1.00 7.92 C ATOM 2682 CD GLN B 63 15.401 5.844 -13.444 1.00 8.79 C ATOM 2683 OE1 GLN B 63 14.576 5.640 -14.334 1.00 9.40 O ATOM 2684 NE2 GLN B 63 16.570 5.231 -13.406 1.00 8.92 N ATOM 0 H GLN B 63 14.475 7.666 -9.781 1.00 6.58 H new ATOM 0 HA GLN B 63 13.418 9.011 -12.043 1.00 6.98 H new ATOM 0 HB2 GLN B 63 13.405 6.063 -11.282 1.00 7.70 H new ATOM 0 HB3 GLN B 63 13.049 6.694 -12.877 1.00 7.70 H new ATOM 0 HG2 GLN B 63 15.447 7.813 -12.615 1.00 7.92 H new ATOM 0 HG3 GLN B 63 15.679 6.533 -11.441 1.00 7.92 H new ATOM 0 HE21 GLN B 63 17.225 5.429 -12.650 1.00 8.92 H new ATOM 0 HE22 GLN B 63 16.818 4.559 -14.133 1.00 8.92 H new ATOM 2693 N VAL B 64 11.274 7.491 -10.036 1.00 6.75 N ATOM 2694 CA VAL B 64 9.856 7.387 -9.712 1.00 6.88 C ATOM 2695 C VAL B 64 9.269 8.767 -9.403 1.00 6.48 C ATOM 2696 O VAL B 64 8.084 9.016 -9.642 1.00 6.34 O ATOM 2697 CB VAL B 64 9.591 6.403 -8.541 1.00 7.00 C ATOM 2698 CG1 VAL B 64 10.047 6.970 -7.208 1.00 6.47 C ATOM 2699 CG2 VAL B 64 8.121 6.030 -8.480 1.00 7.57 C ATOM 0 H VAL B 64 11.895 7.013 -9.383 1.00 6.75 H new ATOM 0 HA VAL B 64 9.355 6.981 -10.591 1.00 6.88 H new ATOM 0 HB VAL B 64 10.178 5.505 -8.734 1.00 7.00 H new ATOM 0 HG11 VAL B 64 9.843 6.249 -6.417 1.00 6.47 H new ATOM 0 HG12 VAL B 64 11.117 7.173 -7.246 1.00 6.47 H new ATOM 0 HG13 VAL B 64 9.509 7.896 -7.003 1.00 6.47 H new ATOM 0 HG21 VAL B 64 7.955 5.340 -7.653 1.00 7.57 H new ATOM 0 HG22 VAL B 64 7.524 6.929 -8.328 1.00 7.57 H new ATOM 0 HG23 VAL B 64 7.828 5.553 -9.415 1.00 7.57 H new ATOM 2709 N VAL B 65 10.108 9.667 -8.888 1.00 6.45 N ATOM 2710 CA VAL B 65 9.677 11.027 -8.580 1.00 6.37 C ATOM 2711 C VAL B 65 9.428 11.793 -9.878 1.00 6.93 C ATOM 2712 O VAL B 65 8.508 12.605 -9.970 1.00 7.43 O ATOM 2713 CB VAL B 65 10.718 11.778 -7.711 1.00 6.49 C ATOM 2714 CG1 VAL B 65 10.368 13.254 -7.577 1.00 6.77 C ATOM 2715 CG2 VAL B 65 10.823 11.136 -6.337 1.00 6.40 C ATOM 0 H VAL B 65 11.088 9.477 -8.677 1.00 6.45 H new ATOM 0 HA VAL B 65 8.753 10.965 -8.005 1.00 6.37 H new ATOM 0 HB VAL B 65 11.684 11.706 -8.211 1.00 6.49 H new ATOM 0 HG11 VAL B 65 11.118 13.751 -6.962 1.00 6.77 H new ATOM 0 HG12 VAL B 65 10.346 13.714 -8.565 1.00 6.77 H new ATOM 0 HG13 VAL B 65 9.389 13.355 -7.108 1.00 6.77 H new ATOM 0 HG21 VAL B 65 11.558 11.675 -5.739 1.00 6.40 H new ATOM 0 HG22 VAL B 65 9.853 11.176 -5.842 1.00 6.40 H new ATOM 0 HG23 VAL B 65 11.134 10.097 -6.444 1.00 6.40 H new ATOM 2725 N LYS B 66 10.245 11.504 -10.888 1.00 6.93 N ATOM 2726 CA LYS B 66 10.113 12.147 -12.191 1.00 7.52 C ATOM 2727 C LYS B 66 8.820 11.704 -12.863 1.00 7.28 C ATOM 2728 O LYS B 66 8.132 12.505 -13.500 1.00 7.59 O ATOM 2729 CB LYS B 66 11.301 11.796 -13.090 1.00 8.01 C ATOM 2730 CG LYS B 66 12.633 12.336 -12.594 1.00 8.37 C ATOM 2731 CD LYS B 66 13.772 11.956 -13.528 1.00 8.79 C ATOM 2732 CE LYS B 66 13.522 12.466 -14.938 1.00 9.69 C ATOM 2733 NZ LYS B 66 14.722 12.324 -15.801 1.00 10.21 N ATOM 0 H LYS B 66 11.006 10.828 -10.828 1.00 6.93 H new ATOM 0 HA LYS B 66 10.093 13.226 -12.039 1.00 7.52 H new ATOM 0 HB2 LYS B 66 11.370 10.712 -13.177 1.00 8.01 H new ATOM 0 HB3 LYS B 66 11.113 12.184 -14.091 1.00 8.01 H new ATOM 0 HG2 LYS B 66 12.578 13.421 -12.509 1.00 8.37 H new ATOM 0 HG3 LYS B 66 12.835 11.948 -11.596 1.00 8.37 H new ATOM 0 HD2 LYS B 66 14.708 12.368 -13.150 1.00 8.79 H new ATOM 0 HD3 LYS B 66 13.885 10.872 -13.545 1.00 8.79 H new ATOM 0 HE2 LYS B 66 12.690 11.917 -15.380 1.00 9.69 H new ATOM 0 HE3 LYS B 66 13.226 13.514 -14.897 1.00 9.69 H new ATOM 0 HZ1 LYS B 66 14.509 12.683 -16.753 1.00 10.21 H new ATOM 0 HZ2 LYS B 66 15.509 12.868 -15.394 1.00 10.21 H new ATOM 0 HZ3 LYS B 66 14.990 11.321 -15.861 1.00 10.21 H new ATOM 2747 N LEU B 67 8.510 10.422 -12.719 1.00 6.76 N ATOM 2748 CA LEU B 67 7.301 9.850 -13.293 1.00 6.53 C ATOM 2749 C LEU B 67 6.070 10.443 -12.618 1.00 6.28 C ATOM 2750 O LEU B 67 5.144 10.897 -13.291 1.00 6.36 O ATOM 2751 CB LEU B 67 7.312 8.327 -13.129 1.00 6.25 C ATOM 2752 CG LEU B 67 8.457 7.605 -13.839 1.00 6.32 C ATOM 2753 CD1 LEU B 67 8.670 6.225 -13.238 1.00 5.80 C ATOM 2754 CD2 LEU B 67 8.174 7.500 -15.328 1.00 7.20 C ATOM 0 H LEU B 67 9.085 9.755 -12.205 1.00 6.76 H new ATOM 0 HA LEU B 67 7.267 10.089 -14.356 1.00 6.53 H new ATOM 0 HB2 LEU B 67 7.359 8.092 -12.066 1.00 6.25 H new ATOM 0 HB3 LEU B 67 6.367 7.931 -13.501 1.00 6.25 H new ATOM 0 HG LEU B 67 9.370 8.184 -13.701 1.00 6.32 H new ATOM 0 HD11 LEU B 67 9.489 5.725 -13.756 1.00 5.80 H new ATOM 0 HD12 LEU B 67 8.915 6.323 -12.180 1.00 5.80 H new ATOM 0 HD13 LEU B 67 7.759 5.636 -13.347 1.00 5.80 H new ATOM 0 HD21 LEU B 67 8.998 6.984 -15.820 1.00 7.20 H new ATOM 0 HD22 LEU B 67 7.251 6.942 -15.484 1.00 7.20 H new ATOM 0 HD23 LEU B 67 8.069 8.500 -15.750 1.00 7.20 H new ATOM 2766 N LYS B 68 6.092 10.445 -11.285 1.00 6.08 N ATOM 2767 CA LYS B 68 5.007 10.986 -10.465 1.00 6.00 C ATOM 2768 C LYS B 68 3.684 10.258 -10.703 1.00 5.93 C ATOM 2769 O LYS B 68 2.962 10.539 -11.663 1.00 6.24 O ATOM 2770 CB LYS B 68 4.837 12.486 -10.712 1.00 6.26 C ATOM 2771 CG LYS B 68 4.840 13.306 -9.436 1.00 6.39 C ATOM 2772 CD LYS B 68 4.570 14.777 -9.713 1.00 6.79 C ATOM 2773 CE LYS B 68 4.720 15.614 -8.456 1.00 7.05 C ATOM 2774 NZ LYS B 68 4.245 17.007 -8.661 1.00 7.58 N ATOM 0 H LYS B 68 6.868 10.069 -10.740 1.00 6.08 H new ATOM 0 HA LYS B 68 5.286 10.826 -9.424 1.00 6.00 H new ATOM 0 HB2 LYS B 68 5.640 12.834 -11.362 1.00 6.26 H new ATOM 0 HB3 LYS B 68 3.901 12.656 -11.243 1.00 6.26 H new ATOM 0 HG2 LYS B 68 4.084 12.919 -8.753 1.00 6.39 H new ATOM 0 HG3 LYS B 68 5.804 13.200 -8.938 1.00 6.39 H new ATOM 0 HD2 LYS B 68 5.259 15.138 -10.476 1.00 6.79 H new ATOM 0 HD3 LYS B 68 3.563 14.895 -10.112 1.00 6.79 H new ATOM 0 HE2 LYS B 68 4.157 15.154 -7.644 1.00 7.05 H new ATOM 0 HE3 LYS B 68 5.766 15.628 -8.151 1.00 7.05 H new ATOM 0 HZ1 LYS B 68 3.836 17.368 -7.776 1.00 7.58 H new ATOM 0 HZ2 LYS B 68 5.045 17.608 -8.944 1.00 7.58 H new ATOM 0 HZ3 LYS B 68 3.521 17.021 -9.407 1.00 7.58 H new ATOM 2788 N GLY B 69 3.372 9.322 -9.820 1.00 5.57 N ATOM 2789 CA GLY B 69 2.136 8.576 -9.937 1.00 5.53 C ATOM 2790 C GLY B 69 2.310 7.292 -10.707 1.00 5.28 C ATOM 2791 O GLY B 69 1.348 6.728 -11.230 1.00 5.43 O ATOM 0 H GLY B 69 3.954 9.065 -9.023 1.00 5.57 H new ATOM 0 HA2 GLY B 69 1.755 8.350 -8.941 1.00 5.53 H new ATOM 0 HA3 GLY B 69 1.387 9.194 -10.432 1.00 5.53 H new ATOM 2795 N GLN B 70 3.543 6.832 -10.787 1.00 4.96 N ATOM 2796 CA GLN B 70 3.851 5.604 -11.489 1.00 4.76 C ATOM 2797 C GLN B 70 4.589 4.657 -10.558 1.00 4.34 C ATOM 2798 O GLN B 70 5.230 5.094 -9.602 1.00 3.78 O ATOM 2799 CB GLN B 70 4.687 5.896 -12.738 1.00 4.98 C ATOM 2800 CG GLN B 70 4.851 4.698 -13.661 1.00 5.08 C ATOM 2801 CD GLN B 70 3.523 4.050 -14.011 1.00 5.18 C ATOM 2802 OE1 GLN B 70 3.066 3.129 -13.329 1.00 5.27 O ATOM 2803 NE2 GLN B 70 2.893 4.532 -15.066 1.00 5.43 N ATOM 0 H GLN B 70 4.352 7.294 -10.371 1.00 4.96 H new ATOM 0 HA GLN B 70 2.922 5.132 -11.809 1.00 4.76 H new ATOM 0 HB2 GLN B 70 4.221 6.710 -13.294 1.00 4.98 H new ATOM 0 HB3 GLN B 70 5.673 6.244 -12.431 1.00 4.98 H new ATOM 0 HG2 GLN B 70 5.350 5.014 -14.577 1.00 5.08 H new ATOM 0 HG3 GLN B 70 5.497 3.961 -13.184 1.00 5.08 H new ATOM 0 HE21 GLN B 70 3.306 5.295 -15.603 1.00 5.43 H new ATOM 0 HE22 GLN B 70 1.993 4.142 -15.345 1.00 5.43 H new ATOM 2812 N VAL B 71 4.477 3.370 -10.827 1.00 4.77 N ATOM 2813 CA VAL B 71 5.131 2.363 -10.015 1.00 4.57 C ATOM 2814 C VAL B 71 6.367 1.814 -10.731 1.00 4.76 C ATOM 2815 O VAL B 71 6.275 1.241 -11.818 1.00 5.54 O ATOM 2816 CB VAL B 71 4.153 1.219 -9.652 1.00 5.23 C ATOM 2817 CG1 VAL B 71 3.439 0.695 -10.889 1.00 5.54 C ATOM 2818 CG2 VAL B 71 4.877 0.095 -8.930 1.00 5.65 C ATOM 0 H VAL B 71 3.936 2.996 -11.607 1.00 4.77 H new ATOM 0 HA VAL B 71 5.453 2.834 -9.086 1.00 4.57 H new ATOM 0 HB VAL B 71 3.400 1.626 -8.977 1.00 5.23 H new ATOM 0 HG11 VAL B 71 2.759 -0.108 -10.604 1.00 5.54 H new ATOM 0 HG12 VAL B 71 2.873 1.503 -11.352 1.00 5.54 H new ATOM 0 HG13 VAL B 71 4.173 0.313 -11.599 1.00 5.54 H new ATOM 0 HG21 VAL B 71 4.168 -0.696 -8.686 1.00 5.65 H new ATOM 0 HG22 VAL B 71 5.661 -0.305 -9.573 1.00 5.65 H new ATOM 0 HG23 VAL B 71 5.322 0.479 -8.012 1.00 5.65 H new ATOM 2828 N LEU B 72 7.524 2.025 -10.125 1.00 4.15 N ATOM 2829 CA LEU B 72 8.782 1.560 -10.687 1.00 4.35 C ATOM 2830 C LEU B 72 9.327 0.400 -9.862 1.00 4.51 C ATOM 2831 O LEU B 72 9.724 0.578 -8.707 1.00 4.34 O ATOM 2832 CB LEU B 72 9.799 2.704 -10.724 1.00 3.90 C ATOM 2833 CG LEU B 72 11.034 2.447 -11.587 1.00 3.93 C ATOM 2834 CD1 LEU B 72 10.707 2.633 -13.060 1.00 4.31 C ATOM 2835 CD2 LEU B 72 12.175 3.363 -11.169 1.00 4.11 C ATOM 0 H LEU B 72 7.618 2.519 -9.238 1.00 4.15 H new ATOM 0 HA LEU B 72 8.605 1.215 -11.706 1.00 4.35 H new ATOM 0 HB2 LEU B 72 9.300 3.601 -11.090 1.00 3.90 H new ATOM 0 HB3 LEU B 72 10.124 2.913 -9.705 1.00 3.90 H new ATOM 0 HG LEU B 72 11.350 1.415 -11.437 1.00 3.93 H new ATOM 0 HD11 LEU B 72 11.599 2.446 -13.657 1.00 4.31 H new ATOM 0 HD12 LEU B 72 9.923 1.934 -13.350 1.00 4.31 H new ATOM 0 HD13 LEU B 72 10.364 3.654 -13.231 1.00 4.31 H new ATOM 0 HD21 LEU B 72 13.047 3.167 -11.794 1.00 4.11 H new ATOM 0 HD22 LEU B 72 11.870 4.402 -11.288 1.00 4.11 H new ATOM 0 HD23 LEU B 72 12.427 3.177 -10.125 1.00 4.11 H new ATOM 2847 N SER B 73 9.322 -0.787 -10.447 1.00 5.01 N ATOM 2848 CA SER B 73 9.813 -1.976 -9.767 1.00 5.35 C ATOM 2849 C SER B 73 11.319 -2.139 -9.962 1.00 5.09 C ATOM 2850 O SER B 73 11.790 -2.390 -11.072 1.00 5.62 O ATOM 2851 CB SER B 73 9.078 -3.211 -10.285 1.00 6.05 C ATOM 2852 OG SER B 73 7.676 -3.002 -10.276 1.00 6.35 O ATOM 0 H SER B 73 8.982 -0.953 -11.394 1.00 5.01 H new ATOM 0 HA SER B 73 9.622 -1.864 -8.700 1.00 5.35 H new ATOM 0 HB2 SER B 73 9.410 -3.439 -11.298 1.00 6.05 H new ATOM 0 HB3 SER B 73 9.326 -4.074 -9.666 1.00 6.05 H new ATOM 0 HG SER B 73 7.330 -3.142 -9.370 1.00 6.35 H new ATOM 2858 N VAL B 74 12.065 -1.981 -8.881 1.00 4.34 N ATOM 2859 CA VAL B 74 13.513 -2.123 -8.920 1.00 4.11 C ATOM 2860 C VAL B 74 13.934 -3.407 -8.202 1.00 3.81 C ATOM 2861 O VAL B 74 13.476 -3.688 -7.093 1.00 3.69 O ATOM 2862 CB VAL B 74 14.231 -0.895 -8.298 1.00 3.94 C ATOM 2863 CG1 VAL B 74 13.683 -0.573 -6.915 1.00 3.77 C ATOM 2864 CG2 VAL B 74 15.735 -1.116 -8.237 1.00 3.75 C ATOM 0 H VAL B 74 11.690 -1.753 -7.960 1.00 4.34 H new ATOM 0 HA VAL B 74 13.813 -2.181 -9.966 1.00 4.11 H new ATOM 0 HB VAL B 74 14.035 -0.040 -8.945 1.00 3.94 H new ATOM 0 HG11 VAL B 74 14.207 0.292 -6.508 1.00 3.77 H new ATOM 0 HG12 VAL B 74 12.618 -0.350 -6.988 1.00 3.77 H new ATOM 0 HG13 VAL B 74 13.830 -1.429 -6.257 1.00 3.77 H new ATOM 0 HG21 VAL B 74 16.214 -0.241 -7.797 1.00 3.75 H new ATOM 0 HG22 VAL B 74 15.949 -1.993 -7.626 1.00 3.75 H new ATOM 0 HG23 VAL B 74 16.121 -1.273 -9.244 1.00 3.75 H new ATOM 2874 N MET B 75 14.782 -4.199 -8.847 1.00 3.91 N ATOM 2875 CA MET B 75 15.247 -5.452 -8.270 1.00 3.74 C ATOM 2876 C MET B 75 16.644 -5.295 -7.683 1.00 3.48 C ATOM 2877 O MET B 75 17.612 -5.035 -8.403 1.00 3.88 O ATOM 2878 CB MET B 75 15.238 -6.559 -9.327 1.00 4.24 C ATOM 2879 CG MET B 75 15.410 -7.956 -8.752 1.00 4.67 C ATOM 2880 SD MET B 75 15.251 -9.249 -10.002 1.00 5.41 S ATOM 2881 CE MET B 75 15.493 -10.722 -9.008 1.00 5.42 C ATOM 0 H MET B 75 15.162 -3.994 -9.771 1.00 3.91 H new ATOM 0 HA MET B 75 14.567 -5.728 -7.464 1.00 3.74 H new ATOM 0 HB2 MET B 75 14.298 -6.516 -9.877 1.00 4.24 H new ATOM 0 HB3 MET B 75 16.037 -6.370 -10.044 1.00 4.24 H new ATOM 0 HG2 MET B 75 16.389 -8.032 -8.279 1.00 4.67 H new ATOM 0 HG3 MET B 75 14.666 -8.117 -7.972 1.00 4.67 H new ATOM 0 HE1 MET B 75 15.423 -11.605 -9.643 1.00 5.42 H new ATOM 0 HE2 MET B 75 16.477 -10.688 -8.541 1.00 5.42 H new ATOM 0 HE3 MET B 75 14.726 -10.769 -8.235 1.00 5.42 H new ATOM 2891 N PHE B 76 16.734 -5.444 -6.375 1.00 3.08 N ATOM 2892 CA PHE B 76 17.998 -5.332 -5.663 1.00 3.15 C ATOM 2893 C PHE B 76 18.024 -6.331 -4.517 1.00 3.14 C ATOM 2894 O PHE B 76 17.052 -7.050 -4.302 1.00 3.00 O ATOM 2895 CB PHE B 76 18.188 -3.906 -5.128 1.00 3.19 C ATOM 2896 CG PHE B 76 17.118 -3.470 -4.161 1.00 3.34 C ATOM 2897 CD1 PHE B 76 15.937 -2.912 -4.619 1.00 3.27 C ATOM 2898 CD2 PHE B 76 17.298 -3.621 -2.793 1.00 3.47 C ATOM 2899 CE1 PHE B 76 14.956 -2.513 -3.734 1.00 3.36 C ATOM 2900 CE2 PHE B 76 16.320 -3.223 -1.904 1.00 3.54 C ATOM 2901 CZ PHE B 76 15.146 -2.668 -2.375 1.00 2.78 C ATOM 0 H PHE B 76 15.935 -5.646 -5.774 1.00 3.08 H new ATOM 0 HA PHE B 76 18.815 -5.551 -6.351 1.00 3.15 H new ATOM 0 HB2 PHE B 76 19.158 -3.839 -4.636 1.00 3.19 H new ATOM 0 HB3 PHE B 76 18.209 -3.213 -5.969 1.00 3.19 H new ATOM 0 HD1 PHE B 76 15.781 -2.787 -5.680 1.00 3.27 H new ATOM 0 HD2 PHE B 76 18.214 -4.055 -2.420 1.00 3.47 H new ATOM 0 HE1 PHE B 76 14.039 -2.079 -4.105 1.00 3.36 H new ATOM 0 HE2 PHE B 76 16.472 -3.345 -0.842 1.00 3.54 H new ATOM 0 HZ PHE B 76 14.379 -2.356 -1.682 1.00 2.78 H new ATOM 2911 N ARG B 77 19.125 -6.388 -3.784 1.00 3.59 N ATOM 2912 CA ARG B 77 19.225 -7.303 -2.658 1.00 3.88 C ATOM 2913 C ARG B 77 19.001 -6.552 -1.351 1.00 4.20 C ATOM 2914 O ARG B 77 19.699 -5.586 -1.048 1.00 4.62 O ATOM 2915 CB ARG B 77 20.574 -8.028 -2.654 1.00 4.60 C ATOM 2916 CG ARG B 77 20.519 -9.389 -3.331 1.00 4.59 C ATOM 2917 CD ARG B 77 21.788 -10.192 -3.095 1.00 5.39 C ATOM 2918 NE ARG B 77 22.784 -9.967 -4.141 1.00 5.55 N ATOM 2919 CZ ARG B 77 23.874 -10.718 -4.305 1.00 6.25 C ATOM 2920 NH1 ARG B 77 24.136 -11.713 -3.467 1.00 6.80 N ATOM 2921 NH2 ARG B 77 24.707 -10.468 -5.307 1.00 6.51 N ATOM 0 H ARG B 77 19.955 -5.817 -3.946 1.00 3.59 H new ATOM 0 HA ARG B 77 18.448 -8.061 -2.758 1.00 3.88 H new ATOM 0 HB2 ARG B 77 21.315 -7.407 -3.158 1.00 4.60 H new ATOM 0 HB3 ARG B 77 20.910 -8.154 -1.625 1.00 4.60 H new ATOM 0 HG2 ARG B 77 19.661 -9.947 -2.955 1.00 4.59 H new ATOM 0 HG3 ARG B 77 20.368 -9.256 -4.402 1.00 4.59 H new ATOM 0 HD2 ARG B 77 22.212 -9.923 -2.128 1.00 5.39 H new ATOM 0 HD3 ARG B 77 21.542 -11.253 -3.051 1.00 5.39 H new ATOM 0 HE ARG B 77 22.637 -9.189 -4.784 1.00 5.55 H new ATOM 0 HH11 ARG B 77 23.502 -11.907 -2.692 1.00 6.80 H new ATOM 0 HH12 ARG B 77 24.971 -12.284 -3.598 1.00 6.80 H new ATOM 0 HH21 ARG B 77 24.514 -9.702 -5.952 1.00 6.51 H new ATOM 0 HH22 ARG B 77 25.541 -11.042 -5.433 1.00 6.51 H new ATOM 2935 N PHE B 78 18.008 -6.997 -0.599 1.00 4.21 N ATOM 2936 CA PHE B 78 17.660 -6.378 0.672 1.00 4.81 C ATOM 2937 C PHE B 78 18.119 -7.259 1.827 1.00 5.56 C ATOM 2938 O PHE B 78 18.113 -8.486 1.721 1.00 5.79 O ATOM 2939 CB PHE B 78 16.144 -6.158 0.739 1.00 4.67 C ATOM 2940 CG PHE B 78 15.709 -5.172 1.787 1.00 4.78 C ATOM 2941 CD1 PHE B 78 15.929 -3.815 1.613 1.00 5.01 C ATOM 2942 CD2 PHE B 78 15.073 -5.601 2.941 1.00 4.79 C ATOM 2943 CE1 PHE B 78 15.525 -2.904 2.571 1.00 5.19 C ATOM 2944 CE2 PHE B 78 14.666 -4.695 3.903 1.00 5.05 C ATOM 2945 CZ PHE B 78 14.892 -3.345 3.718 1.00 5.22 C ATOM 0 H PHE B 78 17.422 -7.794 -0.849 1.00 4.21 H new ATOM 0 HA PHE B 78 18.163 -5.414 0.752 1.00 4.81 H new ATOM 0 HB2 PHE B 78 15.795 -5.814 -0.235 1.00 4.67 H new ATOM 0 HB3 PHE B 78 15.658 -7.114 0.932 1.00 4.67 H new ATOM 0 HD1 PHE B 78 16.422 -3.465 0.718 1.00 5.01 H new ATOM 0 HD2 PHE B 78 14.893 -6.655 3.091 1.00 4.79 H new ATOM 0 HE1 PHE B 78 15.704 -1.849 2.424 1.00 5.19 H new ATOM 0 HE2 PHE B 78 14.172 -5.043 4.798 1.00 5.05 H new ATOM 0 HZ PHE B 78 14.575 -2.635 4.468 1.00 5.22 H new ATOM 2955 N ARG B 79 18.525 -6.626 2.919 1.00 6.05 N ATOM 2956 CA ARG B 79 18.994 -7.342 4.098 1.00 6.84 C ATOM 2957 C ARG B 79 17.829 -7.697 5.014 1.00 6.93 C ATOM 2958 O ARG B 79 17.084 -6.823 5.456 1.00 7.29 O ATOM 2959 CB ARG B 79 20.018 -6.493 4.862 1.00 7.82 C ATOM 2960 CG ARG B 79 20.408 -7.060 6.220 1.00 8.65 C ATOM 2961 CD ARG B 79 21.344 -6.119 6.961 1.00 9.63 C ATOM 2962 NE ARG B 79 21.283 -6.307 8.412 1.00 10.06 N ATOM 2963 CZ ARG B 79 21.580 -5.357 9.303 1.00 10.62 C ATOM 2964 NH1 ARG B 79 21.977 -4.155 8.901 1.00 10.80 N ATOM 2965 NH2 ARG B 79 21.480 -5.613 10.600 1.00 11.08 N ATOM 0 H ARG B 79 18.539 -5.610 3.013 1.00 6.05 H new ATOM 0 HA ARG B 79 19.470 -8.265 3.768 1.00 6.84 H new ATOM 0 HB2 ARG B 79 20.916 -6.390 4.252 1.00 7.82 H new ATOM 0 HB3 ARG B 79 19.611 -5.492 5.002 1.00 7.82 H new ATOM 0 HG2 ARG B 79 19.512 -7.230 6.817 1.00 8.65 H new ATOM 0 HG3 ARG B 79 20.891 -8.028 6.088 1.00 8.65 H new ATOM 0 HD2 ARG B 79 22.366 -6.281 6.618 1.00 9.63 H new ATOM 0 HD3 ARG B 79 21.086 -5.088 6.719 1.00 9.63 H new ATOM 0 HE ARG B 79 20.996 -7.220 8.764 1.00 10.06 H new ATOM 0 HH11 ARG B 79 22.057 -3.951 7.905 1.00 10.80 H new ATOM 0 HH12 ARG B 79 22.202 -3.436 9.588 1.00 10.80 H new ATOM 0 HH21 ARG B 79 21.177 -6.534 10.916 1.00 11.08 H new ATOM 0 HH22 ARG B 79 21.706 -4.889 11.282 1.00 11.08 H new ATOM 2979 N SER B 80 17.673 -8.982 5.285 1.00 6.76 N ATOM 2980 CA SER B 80 16.615 -9.453 6.161 1.00 7.04 C ATOM 2981 C SER B 80 17.086 -9.403 7.611 1.00 7.47 C ATOM 2982 O SER B 80 18.207 -8.966 7.896 1.00 7.38 O ATOM 2983 CB SER B 80 16.231 -10.886 5.793 1.00 6.83 C ATOM 2984 OG SER B 80 17.264 -11.793 6.149 1.00 7.21 O ATOM 0 H SER B 80 18.269 -9.720 4.909 1.00 6.76 H new ATOM 0 HA SER B 80 15.743 -8.809 6.043 1.00 7.04 H new ATOM 0 HB2 SER B 80 15.308 -11.162 6.302 1.00 6.83 H new ATOM 0 HB3 SER B 80 16.037 -10.952 4.722 1.00 6.83 H new ATOM 0 HG SER B 80 16.960 -12.712 5.995 1.00 7.21 H new ATOM 2990 N LYS B 81 16.246 -9.867 8.529 1.00 8.04 N ATOM 2991 CA LYS B 81 16.599 -9.892 9.944 1.00 8.55 C ATOM 2992 C LYS B 81 17.670 -10.955 10.186 1.00 8.41 C ATOM 2993 O LYS B 81 18.307 -10.998 11.238 1.00 8.72 O ATOM 2994 CB LYS B 81 15.361 -10.165 10.803 1.00 9.27 C ATOM 2995 CG LYS B 81 15.559 -9.841 12.275 1.00 10.06 C ATOM 2996 CD LYS B 81 15.906 -8.376 12.484 1.00 10.72 C ATOM 2997 CE LYS B 81 16.436 -8.122 13.887 1.00 11.62 C ATOM 2998 NZ LYS B 81 17.031 -6.765 14.019 1.00 12.24 N ATOM 0 H LYS B 81 15.316 -10.231 8.319 1.00 8.04 H new ATOM 0 HA LYS B 81 16.997 -8.918 10.229 1.00 8.55 H new ATOM 0 HB2 LYS B 81 14.526 -9.578 10.419 1.00 9.27 H new ATOM 0 HB3 LYS B 81 15.085 -11.215 10.704 1.00 9.27 H new ATOM 0 HG2 LYS B 81 14.650 -10.083 12.827 1.00 10.06 H new ATOM 0 HG3 LYS B 81 16.354 -10.465 12.682 1.00 10.06 H new ATOM 0 HD2 LYS B 81 16.653 -8.070 11.751 1.00 10.72 H new ATOM 0 HD3 LYS B 81 15.021 -7.763 12.312 1.00 10.72 H new ATOM 0 HE2 LYS B 81 15.625 -8.234 14.607 1.00 11.62 H new ATOM 0 HE3 LYS B 81 17.187 -8.873 14.133 1.00 11.62 H new ATOM 0 HZ1 LYS B 81 17.800 -6.790 14.719 1.00 12.24 H new ATOM 0 HZ2 LYS B 81 17.409 -6.461 13.099 1.00 12.24 H new ATOM 0 HZ3 LYS B 81 16.300 -6.094 14.332 1.00 12.24 H new ATOM 3012 N ASN B 82 17.870 -11.805 9.187 1.00 8.00 N ATOM 3013 CA ASN B 82 18.869 -12.862 9.260 1.00 7.89 C ATOM 3014 C ASN B 82 20.208 -12.336 8.759 1.00 7.36 C ATOM 3015 O ASN B 82 21.201 -13.066 8.731 1.00 7.24 O ATOM 3016 CB ASN B 82 18.449 -14.063 8.412 1.00 7.92 C ATOM 3017 CG ASN B 82 17.132 -14.671 8.851 1.00 8.51 C ATOM 3018 OD1 ASN B 82 16.837 -14.763 10.044 1.00 9.25 O ATOM 3019 ND2 ASN B 82 16.325 -15.082 7.887 1.00 8.28 N ATOM 0 H ASN B 82 17.349 -11.782 8.310 1.00 8.00 H new ATOM 0 HA ASN B 82 18.960 -13.180 10.299 1.00 7.89 H new ATOM 0 HB2 ASN B 82 18.370 -13.754 7.370 1.00 7.92 H new ATOM 0 HB3 ASN B 82 19.228 -14.824 8.461 1.00 7.92 H new ATOM 0 HD21 ASN B 82 15.421 -15.493 8.119 1.00 8.28 H new ATOM 0 HD22 ASN B 82 16.607 -14.988 6.911 1.00 8.28 H new ATOM 3026 N GLN B 83 20.211 -11.058 8.365 1.00 7.14 N ATOM 3027 CA GLN B 83 21.401 -10.384 7.843 1.00 6.77 C ATOM 3028 C GLN B 83 21.774 -10.929 6.472 1.00 6.51 C ATOM 3029 O GLN B 83 22.909 -10.778 6.024 1.00 6.48 O ATOM 3030 CB GLN B 83 22.589 -10.513 8.803 1.00 7.42 C ATOM 3031 CG GLN B 83 22.738 -9.344 9.763 1.00 7.60 C ATOM 3032 CD GLN B 83 21.533 -9.161 10.661 1.00 7.62 C ATOM 3033 OE1 GLN B 83 20.630 -8.376 10.361 1.00 7.12 O ATOM 3034 NE2 GLN B 83 21.507 -9.887 11.764 1.00 8.30 N ATOM 0 H GLN B 83 19.384 -10.461 8.400 1.00 7.14 H new ATOM 0 HA GLN B 83 21.158 -9.326 7.747 1.00 6.77 H new ATOM 0 HB2 GLN B 83 22.479 -11.431 9.380 1.00 7.42 H new ATOM 0 HB3 GLN B 83 23.505 -10.610 8.220 1.00 7.42 H new ATOM 0 HG2 GLN B 83 23.624 -9.497 10.379 1.00 7.60 H new ATOM 0 HG3 GLN B 83 22.901 -8.430 9.192 1.00 7.60 H new ATOM 0 HE21 GLN B 83 22.275 -10.524 11.973 1.00 8.30 H new ATOM 0 HE22 GLN B 83 20.718 -9.811 12.406 1.00 8.30 H new ATOM 3043 N GLU B 84 20.816 -11.557 5.809 1.00 6.48 N ATOM 3044 CA GLU B 84 21.053 -12.115 4.488 1.00 6.41 C ATOM 3045 C GLU B 84 20.533 -11.165 3.417 1.00 6.26 C ATOM 3046 O GLU B 84 19.602 -10.393 3.661 1.00 6.30 O ATOM 3047 CB GLU B 84 20.400 -13.497 4.357 1.00 6.62 C ATOM 3048 CG GLU B 84 18.900 -13.460 4.121 1.00 6.46 C ATOM 3049 CD GLU B 84 18.173 -14.593 4.813 1.00 6.60 C ATOM 3050 OE1 GLU B 84 18.692 -15.728 4.814 1.00 6.74 O ATOM 3051 OE2 GLU B 84 17.080 -14.348 5.362 1.00 6.78 O ATOM 0 H GLU B 84 19.869 -11.693 6.163 1.00 6.48 H new ATOM 0 HA GLU B 84 22.127 -12.238 4.349 1.00 6.41 H new ATOM 0 HB2 GLU B 84 20.872 -14.032 3.533 1.00 6.62 H new ATOM 0 HB3 GLU B 84 20.599 -14.067 5.264 1.00 6.62 H new ATOM 0 HG2 GLU B 84 18.504 -12.509 4.476 1.00 6.46 H new ATOM 0 HG3 GLU B 84 18.703 -13.508 3.050 1.00 6.46 H new ATOM 3058 N TRP B 85 21.150 -11.207 2.249 1.00 6.19 N ATOM 3059 CA TRP B 85 20.753 -10.349 1.145 1.00 6.19 C ATOM 3060 C TRP B 85 19.900 -11.120 0.148 1.00 6.20 C ATOM 3061 O TRP B 85 20.416 -11.916 -0.638 1.00 6.38 O ATOM 3062 CB TRP B 85 21.985 -9.771 0.443 1.00 6.55 C ATOM 3063 CG TRP B 85 22.983 -9.163 1.384 1.00 6.95 C ATOM 3064 CD1 TRP B 85 24.109 -9.756 1.880 1.00 7.63 C ATOM 3065 CD2 TRP B 85 22.944 -7.844 1.945 1.00 6.78 C ATOM 3066 NE1 TRP B 85 24.771 -8.888 2.712 1.00 7.89 N ATOM 3067 CE2 TRP B 85 24.077 -7.709 2.771 1.00 7.40 C ATOM 3068 CE3 TRP B 85 22.063 -6.766 1.832 1.00 6.23 C ATOM 3069 CZ2 TRP B 85 24.350 -6.539 3.476 1.00 7.53 C ATOM 3070 CZ3 TRP B 85 22.336 -5.606 2.534 1.00 6.39 C ATOM 3071 CH2 TRP B 85 23.471 -5.501 3.346 1.00 7.05 C ATOM 0 H TRP B 85 21.931 -11.829 2.040 1.00 6.19 H new ATOM 0 HA TRP B 85 20.162 -9.527 1.549 1.00 6.19 H new ATOM 0 HB2 TRP B 85 22.472 -10.562 -0.128 1.00 6.55 H new ATOM 0 HB3 TRP B 85 21.663 -9.013 -0.272 1.00 6.55 H new ATOM 0 HD1 TRP B 85 24.431 -10.761 1.651 1.00 7.63 H new ATOM 0 HE1 TRP B 85 25.640 -9.089 3.207 1.00 7.89 H new ATOM 0 HE3 TRP B 85 21.185 -6.837 1.208 1.00 6.23 H new ATOM 0 HZ2 TRP B 85 25.225 -6.455 4.103 1.00 7.53 H new ATOM 0 HZ3 TRP B 85 21.661 -4.766 2.454 1.00 6.39 H new ATOM 0 HH2 TRP B 85 23.656 -4.581 3.881 1.00 7.05 H new ATOM 3082 N LEU B 86 18.598 -10.889 0.191 1.00 6.05 N ATOM 3083 CA LEU B 86 17.673 -11.557 -0.715 1.00 6.08 C ATOM 3084 C LEU B 86 17.235 -10.605 -1.822 1.00 5.83 C ATOM 3085 O LEU B 86 17.208 -9.390 -1.628 1.00 5.96 O ATOM 3086 CB LEU B 86 16.456 -12.096 0.051 1.00 6.32 C ATOM 3087 CG LEU B 86 15.944 -11.215 1.197 1.00 6.76 C ATOM 3088 CD1 LEU B 86 15.002 -10.139 0.679 1.00 6.60 C ATOM 3089 CD2 LEU B 86 15.247 -12.067 2.247 1.00 6.97 C ATOM 0 H LEU B 86 18.155 -10.243 0.844 1.00 6.05 H new ATOM 0 HA LEU B 86 18.187 -12.403 -1.171 1.00 6.08 H new ATOM 0 HB2 LEU B 86 15.642 -12.246 -0.658 1.00 6.32 H new ATOM 0 HB3 LEU B 86 16.710 -13.075 0.457 1.00 6.32 H new ATOM 0 HG LEU B 86 16.801 -10.722 1.656 1.00 6.76 H new ATOM 0 HD11 LEU B 86 14.654 -9.529 1.512 1.00 6.60 H new ATOM 0 HD12 LEU B 86 15.529 -9.509 -0.037 1.00 6.60 H new ATOM 0 HD13 LEU B 86 14.148 -10.608 0.191 1.00 6.60 H new ATOM 0 HD21 LEU B 86 14.889 -11.428 3.054 1.00 6.97 H new ATOM 0 HD22 LEU B 86 14.403 -12.586 1.793 1.00 6.97 H new ATOM 0 HD23 LEU B 86 15.949 -12.798 2.647 1.00 6.97 H new ATOM 3101 N TRP B 87 16.898 -11.150 -2.980 1.00 5.64 N ATOM 3102 CA TRP B 87 16.474 -10.333 -4.106 1.00 5.53 C ATOM 3103 C TRP B 87 15.044 -9.847 -3.912 1.00 4.89 C ATOM 3104 O TRP B 87 14.096 -10.637 -3.896 1.00 4.93 O ATOM 3105 CB TRP B 87 16.609 -11.106 -5.416 1.00 6.09 C ATOM 3106 CG TRP B 87 18.031 -11.235 -5.870 1.00 6.88 C ATOM 3107 CD1 TRP B 87 18.860 -12.302 -5.676 1.00 7.60 C ATOM 3108 CD2 TRP B 87 18.795 -10.255 -6.579 1.00 7.12 C ATOM 3109 NE1 TRP B 87 20.092 -12.047 -6.228 1.00 8.31 N ATOM 3110 CE2 TRP B 87 20.078 -10.796 -6.788 1.00 8.03 C ATOM 3111 CE3 TRP B 87 18.519 -8.973 -7.063 1.00 6.72 C ATOM 3112 CZ2 TRP B 87 21.079 -10.099 -7.460 1.00 8.55 C ATOM 3113 CZ3 TRP B 87 19.513 -8.282 -7.726 1.00 7.21 C ATOM 3114 CH2 TRP B 87 20.780 -8.846 -7.920 1.00 8.12 C ATOM 0 H TRP B 87 16.910 -12.153 -3.165 1.00 5.64 H new ATOM 0 HA TRP B 87 17.125 -9.461 -4.157 1.00 5.53 H new ATOM 0 HB2 TRP B 87 16.180 -12.100 -5.292 1.00 6.09 H new ATOM 0 HB3 TRP B 87 16.029 -10.604 -6.190 1.00 6.09 H new ATOM 0 HD1 TRP B 87 18.587 -13.213 -5.164 1.00 7.60 H new ATOM 0 HE1 TRP B 87 20.888 -12.685 -6.222 1.00 8.31 H new ATOM 0 HE3 TRP B 87 17.544 -8.531 -6.921 1.00 6.72 H new ATOM 0 HZ2 TRP B 87 22.056 -10.532 -7.612 1.00 8.55 H new ATOM 0 HZ3 TRP B 87 19.310 -7.290 -8.101 1.00 7.21 H new ATOM 0 HH2 TRP B 87 21.536 -8.280 -8.443 1.00 8.12 H new ATOM 3125 N MET B 88 14.908 -8.539 -3.767 1.00 4.38 N ATOM 3126 CA MET B 88 13.624 -7.901 -3.550 1.00 3.86 C ATOM 3127 C MET B 88 13.265 -6.997 -4.721 1.00 4.20 C ATOM 3128 O MET B 88 14.077 -6.184 -5.159 1.00 4.46 O ATOM 3129 CB MET B 88 13.673 -7.074 -2.261 1.00 3.90 C ATOM 3130 CG MET B 88 12.370 -6.367 -1.925 1.00 3.23 C ATOM 3131 SD MET B 88 11.276 -7.374 -0.906 1.00 2.82 S ATOM 3132 CE MET B 88 12.272 -7.551 0.574 1.00 3.18 C ATOM 0 H MET B 88 15.692 -7.887 -3.797 1.00 4.38 H new ATOM 0 HA MET B 88 12.862 -8.676 -3.463 1.00 3.86 H new ATOM 0 HB2 MET B 88 13.942 -7.729 -1.432 1.00 3.90 H new ATOM 0 HB3 MET B 88 14.465 -6.330 -2.350 1.00 3.90 H new ATOM 0 HG2 MET B 88 12.591 -5.436 -1.404 1.00 3.23 H new ATOM 0 HG3 MET B 88 11.857 -6.101 -2.849 1.00 3.23 H new ATOM 0 HE1 MET B 88 12.633 -8.577 0.649 1.00 3.18 H new ATOM 0 HE2 MET B 88 13.121 -6.870 0.525 1.00 3.18 H new ATOM 0 HE3 MET B 88 11.668 -7.315 1.450 1.00 3.18 H new ATOM 3142 N ARG B 89 12.059 -7.163 -5.235 1.00 4.41 N ATOM 3143 CA ARG B 89 11.567 -6.348 -6.331 1.00 5.04 C ATOM 3144 C ARG B 89 10.670 -5.258 -5.760 1.00 5.07 C ATOM 3145 O ARG B 89 9.450 -5.419 -5.676 1.00 5.15 O ATOM 3146 CB ARG B 89 10.795 -7.203 -7.337 1.00 5.18 C ATOM 3147 CG ARG B 89 10.296 -6.426 -8.547 1.00 5.63 C ATOM 3148 CD ARG B 89 8.932 -6.922 -9.000 1.00 5.93 C ATOM 3149 NE ARG B 89 7.920 -6.771 -7.950 1.00 5.96 N ATOM 3150 CZ ARG B 89 6.614 -6.630 -8.184 1.00 6.42 C ATOM 3151 NH1 ARG B 89 6.161 -6.594 -9.428 1.00 6.87 N ATOM 3152 NH2 ARG B 89 5.764 -6.520 -7.166 1.00 6.59 N ATOM 0 H ARG B 89 11.395 -7.864 -4.906 1.00 4.41 H new ATOM 0 HA ARG B 89 12.408 -5.897 -6.857 1.00 5.04 H new ATOM 0 HB2 ARG B 89 11.437 -8.015 -7.678 1.00 5.18 H new ATOM 0 HB3 ARG B 89 9.943 -7.660 -6.833 1.00 5.18 H new ATOM 0 HG2 ARG B 89 10.236 -5.366 -8.301 1.00 5.63 H new ATOM 0 HG3 ARG B 89 11.010 -6.524 -9.364 1.00 5.63 H new ATOM 0 HD2 ARG B 89 8.621 -6.370 -9.887 1.00 5.93 H new ATOM 0 HD3 ARG B 89 9.004 -7.971 -9.287 1.00 5.93 H new ATOM 0 HE ARG B 89 8.234 -6.774 -6.980 1.00 5.96 H new ATOM 0 HH11 ARG B 89 6.811 -6.674 -10.210 1.00 6.87 H new ATOM 0 HH12 ARG B 89 5.162 -6.486 -9.604 1.00 6.87 H new ATOM 0 HH21 ARG B 89 6.111 -6.543 -6.207 1.00 6.59 H new ATOM 0 HH22 ARG B 89 4.766 -6.412 -7.345 1.00 6.59 H new ATOM 3166 N THR B 90 11.286 -4.170 -5.341 1.00 5.17 N ATOM 3167 CA THR B 90 10.573 -3.054 -4.748 1.00 5.29 C ATOM 3168 C THR B 90 9.905 -2.182 -5.804 1.00 5.66 C ATOM 3169 O THR B 90 10.570 -1.538 -6.613 1.00 6.18 O ATOM 3170 CB THR B 90 11.532 -2.204 -3.893 1.00 5.07 C ATOM 3171 OG1 THR B 90 11.920 -2.945 -2.731 1.00 5.02 O ATOM 3172 CG2 THR B 90 10.893 -0.890 -3.469 1.00 4.69 C ATOM 0 H THR B 90 12.295 -4.034 -5.402 1.00 5.17 H new ATOM 0 HA THR B 90 9.789 -3.466 -4.113 1.00 5.29 H new ATOM 0 HB THR B 90 12.407 -1.971 -4.500 1.00 5.07 H new ATOM 0 HG1 THR B 90 12.897 -2.942 -2.652 1.00 5.02 H new ATOM 0 HG21 THR B 90 11.600 -0.319 -2.868 1.00 4.69 H new ATOM 0 HG22 THR B 90 10.622 -0.315 -4.354 1.00 4.69 H new ATOM 0 HG23 THR B 90 9.998 -1.094 -2.881 1.00 4.69 H new ATOM 3180 N SER B 91 8.584 -2.187 -5.797 1.00 5.49 N ATOM 3181 CA SER B 91 7.808 -1.390 -6.726 1.00 5.86 C ATOM 3182 C SER B 91 7.454 -0.048 -6.087 1.00 5.46 C ATOM 3183 O SER B 91 6.407 0.097 -5.453 1.00 4.98 O ATOM 3184 CB SER B 91 6.546 -2.151 -7.128 1.00 6.04 C ATOM 3185 OG SER B 91 6.868 -3.435 -7.634 1.00 6.30 O ATOM 0 H SER B 91 8.023 -2.741 -5.150 1.00 5.49 H new ATOM 0 HA SER B 91 8.397 -1.199 -7.623 1.00 5.86 H new ATOM 0 HB2 SER B 91 5.887 -2.251 -6.266 1.00 6.04 H new ATOM 0 HB3 SER B 91 6.000 -1.585 -7.883 1.00 6.04 H new ATOM 0 HG SER B 91 6.045 -3.904 -7.883 1.00 6.30 H new ATOM 3191 N SER B 92 8.346 0.918 -6.239 1.00 5.80 N ATOM 3192 CA SER B 92 8.157 2.243 -5.667 1.00 5.57 C ATOM 3193 C SER B 92 7.087 3.029 -6.422 1.00 5.56 C ATOM 3194 O SER B 92 7.121 3.121 -7.646 1.00 5.52 O ATOM 3195 CB SER B 92 9.484 3.004 -5.687 1.00 6.27 C ATOM 3196 OG SER B 92 10.525 2.220 -5.122 1.00 6.65 O ATOM 0 H SER B 92 9.217 0.808 -6.759 1.00 5.80 H new ATOM 0 HA SER B 92 7.818 2.127 -4.638 1.00 5.57 H new ATOM 0 HB2 SER B 92 9.740 3.271 -6.712 1.00 6.27 H new ATOM 0 HB3 SER B 92 9.382 3.936 -5.131 1.00 6.27 H new ATOM 0 HG SER B 92 10.300 1.997 -4.195 1.00 6.65 H new ATOM 3202 N PHE B 93 6.130 3.568 -5.683 1.00 5.71 N ATOM 3203 CA PHE B 93 5.054 4.355 -6.266 1.00 5.89 C ATOM 3204 C PHE B 93 5.028 5.748 -5.642 1.00 6.45 C ATOM 3205 O PHE B 93 4.997 5.885 -4.419 1.00 6.45 O ATOM 3206 CB PHE B 93 3.710 3.651 -6.045 1.00 5.69 C ATOM 3207 CG PHE B 93 2.534 4.366 -6.648 1.00 5.63 C ATOM 3208 CD1 PHE B 93 2.171 4.138 -7.965 1.00 5.74 C ATOM 3209 CD2 PHE B 93 1.786 5.260 -5.896 1.00 5.63 C ATOM 3210 CE1 PHE B 93 1.087 4.789 -8.522 1.00 5.78 C ATOM 3211 CE2 PHE B 93 0.700 5.912 -6.448 1.00 5.68 C ATOM 3212 CZ PHE B 93 0.350 5.677 -7.763 1.00 5.73 C ATOM 0 H PHE B 93 6.077 3.473 -4.669 1.00 5.71 H new ATOM 0 HA PHE B 93 5.227 4.453 -7.338 1.00 5.89 H new ATOM 0 HB2 PHE B 93 3.765 2.647 -6.465 1.00 5.69 H new ATOM 0 HB3 PHE B 93 3.543 3.539 -4.974 1.00 5.69 H new ATOM 0 HD1 PHE B 93 2.742 3.443 -8.563 1.00 5.74 H new ATOM 0 HD2 PHE B 93 2.056 5.449 -4.867 1.00 5.63 H new ATOM 0 HE1 PHE B 93 0.816 4.604 -9.551 1.00 5.78 H new ATOM 0 HE2 PHE B 93 0.125 6.605 -5.851 1.00 5.68 H new ATOM 0 HZ PHE B 93 -0.498 6.186 -8.197 1.00 5.73 H new ATOM 3222 N THR B 94 5.064 6.773 -6.474 1.00 7.02 N ATOM 3223 CA THR B 94 5.031 8.143 -5.988 1.00 7.65 C ATOM 3224 C THR B 94 3.597 8.581 -5.725 1.00 7.67 C ATOM 3225 O THR B 94 2.825 8.797 -6.658 1.00 8.38 O ATOM 3226 CB THR B 94 5.681 9.104 -6.994 1.00 8.72 C ATOM 3227 OG1 THR B 94 5.734 8.491 -8.294 1.00 8.98 O ATOM 3228 CG2 THR B 94 7.083 9.481 -6.539 1.00 9.17 C ATOM 0 H THR B 94 5.116 6.684 -7.489 1.00 7.02 H new ATOM 0 HA THR B 94 5.597 8.176 -5.057 1.00 7.65 H new ATOM 0 HB THR B 94 5.078 10.010 -7.051 1.00 8.72 H new ATOM 0 HG1 THR B 94 6.557 8.763 -8.751 1.00 8.98 H new ATOM 0 HG21 THR B 94 7.530 10.162 -7.263 1.00 9.17 H new ATOM 0 HG22 THR B 94 7.031 9.969 -5.566 1.00 9.17 H new ATOM 0 HG23 THR B 94 7.695 8.582 -6.462 1.00 9.17 H new ATOM 3236 N PHE B 95 3.242 8.699 -4.457 1.00 7.03 N ATOM 3237 CA PHE B 95 1.896 9.099 -4.087 1.00 7.23 C ATOM 3238 C PHE B 95 1.779 10.617 -4.055 1.00 7.66 C ATOM 3239 O PHE B 95 2.604 11.302 -3.446 1.00 7.94 O ATOM 3240 CB PHE B 95 1.523 8.509 -2.726 1.00 6.55 C ATOM 3241 CG PHE B 95 0.058 8.232 -2.568 1.00 6.95 C ATOM 3242 CD1 PHE B 95 -0.766 8.134 -3.677 1.00 7.38 C ATOM 3243 CD2 PHE B 95 -0.496 8.062 -1.310 1.00 6.97 C ATOM 3244 CE1 PHE B 95 -2.112 7.874 -3.535 1.00 7.77 C ATOM 3245 CE2 PHE B 95 -1.842 7.802 -1.161 1.00 7.38 C ATOM 3246 CZ PHE B 95 -2.650 7.709 -2.275 1.00 8.33 C ATOM 0 H PHE B 95 3.865 8.524 -3.669 1.00 7.03 H new ATOM 0 HA PHE B 95 1.203 8.716 -4.836 1.00 7.23 H new ATOM 0 HB2 PHE B 95 2.077 7.582 -2.578 1.00 6.55 H new ATOM 0 HB3 PHE B 95 1.840 9.198 -1.943 1.00 6.55 H new ATOM 0 HD1 PHE B 95 -0.349 8.263 -4.665 1.00 7.38 H new ATOM 0 HD2 PHE B 95 0.134 8.134 -0.435 1.00 6.97 H new ATOM 0 HE1 PHE B 95 -2.744 7.800 -4.408 1.00 7.77 H new ATOM 0 HE2 PHE B 95 -2.262 7.672 -0.175 1.00 7.38 H new ATOM 0 HZ PHE B 95 -3.705 7.507 -2.161 1.00 8.33 H new ATOM 3256 N GLN B 96 0.761 11.135 -4.724 1.00 7.77 N ATOM 3257 CA GLN B 96 0.534 12.570 -4.779 1.00 8.24 C ATOM 3258 C GLN B 96 -0.679 12.962 -3.953 1.00 8.05 C ATOM 3259 O GLN B 96 -1.747 12.357 -4.070 1.00 8.10 O ATOM 3260 CB GLN B 96 0.326 13.028 -6.220 1.00 8.94 C ATOM 3261 CG GLN B 96 1.551 12.879 -7.098 1.00 9.25 C ATOM 3262 CD GLN B 96 1.197 12.413 -8.492 1.00 9.90 C ATOM 3263 OE1 GLN B 96 1.175 11.219 -8.767 1.00 9.95 O ATOM 3264 NE2 GLN B 96 0.900 13.346 -9.379 1.00 10.53 N ATOM 0 H GLN B 96 0.077 10.580 -5.238 1.00 7.77 H new ATOM 0 HA GLN B 96 1.418 13.057 -4.367 1.00 8.24 H new ATOM 0 HB2 GLN B 96 -0.493 12.457 -6.657 1.00 8.94 H new ATOM 0 HB3 GLN B 96 0.019 14.074 -6.217 1.00 8.94 H new ATOM 0 HG2 GLN B 96 2.073 13.834 -7.157 1.00 9.25 H new ATOM 0 HG3 GLN B 96 2.239 12.167 -6.642 1.00 9.25 H new ATOM 0 HE21 GLN B 96 0.929 14.330 -9.113 1.00 10.53 H new ATOM 0 HE22 GLN B 96 0.641 13.082 -10.330 1.00 10.53 H new ATOM 3273 N ASN B 97 -0.501 13.975 -3.126 1.00 7.96 N ATOM 3274 CA ASN B 97 -1.571 14.484 -2.290 1.00 7.92 C ATOM 3275 C ASN B 97 -2.579 15.215 -3.170 1.00 8.14 C ATOM 3276 O ASN B 97 -2.202 16.080 -3.967 1.00 8.43 O ATOM 3277 CB ASN B 97 -0.993 15.429 -1.232 1.00 7.98 C ATOM 3278 CG ASN B 97 -2.021 15.925 -0.233 1.00 8.09 C ATOM 3279 OD1 ASN B 97 -2.912 15.190 0.188 1.00 8.16 O ATOM 3280 ND2 ASN B 97 -1.900 17.184 0.155 1.00 8.31 N ATOM 0 H ASN B 97 0.386 14.466 -3.015 1.00 7.96 H new ATOM 0 HA ASN B 97 -2.072 13.662 -1.779 1.00 7.92 H new ATOM 0 HB2 ASN B 97 -0.196 14.915 -0.695 1.00 7.98 H new ATOM 0 HB3 ASN B 97 -0.541 16.286 -1.731 1.00 7.98 H new ATOM 0 HD21 ASN B 97 -2.560 17.576 0.827 1.00 8.31 H new ATOM 0 HD22 ASN B 97 -1.147 17.762 -0.217 1.00 8.31 H new ATOM 3287 N PRO B 98 -3.868 14.866 -3.062 1.00 8.11 N ATOM 3288 CA PRO B 98 -4.940 15.484 -3.861 1.00 8.36 C ATOM 3289 C PRO B 98 -5.230 16.936 -3.460 1.00 8.56 C ATOM 3290 O PRO B 98 -6.387 17.335 -3.324 1.00 9.16 O ATOM 3291 CB PRO B 98 -6.151 14.594 -3.564 1.00 8.39 C ATOM 3292 CG PRO B 98 -5.874 14.019 -2.222 1.00 8.29 C ATOM 3293 CD PRO B 98 -4.388 13.818 -2.165 1.00 7.99 C ATOM 0 HA PRO B 98 -4.674 15.541 -4.916 1.00 8.36 H new ATOM 0 HB2 PRO B 98 -7.076 15.170 -3.565 1.00 8.39 H new ATOM 0 HB3 PRO B 98 -6.262 13.812 -4.315 1.00 8.39 H new ATOM 0 HG2 PRO B 98 -6.209 14.691 -1.432 1.00 8.29 H new ATOM 0 HG3 PRO B 98 -6.402 13.076 -2.084 1.00 8.29 H new ATOM 0 HD2 PRO B 98 -4.006 13.931 -1.151 1.00 7.99 H new ATOM 0 HD3 PRO B 98 -4.104 12.822 -2.504 1.00 7.99 H new ATOM 3301 N TYR B 99 -4.176 17.721 -3.281 1.00 8.20 N ATOM 3302 CA TYR B 99 -4.315 19.121 -2.903 1.00 8.49 C ATOM 3303 C TYR B 99 -3.554 20.019 -3.872 1.00 8.25 C ATOM 3304 O TYR B 99 -4.121 20.954 -4.435 1.00 8.70 O ATOM 3305 CB TYR B 99 -3.816 19.343 -1.475 1.00 8.61 C ATOM 3306 CG TYR B 99 -4.845 19.024 -0.409 1.00 9.49 C ATOM 3307 CD1 TYR B 99 -5.214 17.713 -0.137 1.00 9.79 C ATOM 3308 CD2 TYR B 99 -5.439 20.037 0.330 1.00 9.80 C ATOM 3309 CE1 TYR B 99 -6.148 17.421 0.839 1.00 10.35 C ATOM 3310 CE2 TYR B 99 -6.373 19.754 1.306 1.00 10.36 C ATOM 3311 CZ TYR B 99 -6.723 18.445 1.558 1.00 10.60 C ATOM 3312 OH TYR B 99 -7.650 18.161 2.536 1.00 11.34 O ATOM 0 H TYR B 99 -3.211 17.410 -3.392 1.00 8.20 H new ATOM 0 HA TYR B 99 -5.372 19.381 -2.948 1.00 8.49 H new ATOM 0 HB2 TYR B 99 -2.932 18.727 -1.309 1.00 8.61 H new ATOM 0 HB3 TYR B 99 -3.505 20.382 -1.367 1.00 8.61 H new ATOM 0 HD1 TYR B 99 -4.763 16.908 -0.698 1.00 9.79 H new ATOM 0 HD2 TYR B 99 -5.166 21.064 0.138 1.00 9.80 H new ATOM 0 HE1 TYR B 99 -6.425 16.396 1.037 1.00 10.35 H new ATOM 0 HE2 TYR B 99 -6.828 20.555 1.870 1.00 10.36 H new ATOM 0 HH TYR B 99 -7.957 18.995 2.948 1.00 11.34 H new ATOM 3322 N SER B 100 -2.273 19.743 -4.059 1.00 7.67 N ATOM 3323 CA SER B 100 -1.454 20.530 -4.965 1.00 7.55 C ATOM 3324 C SER B 100 -0.556 19.638 -5.811 1.00 7.32 C ATOM 3325 O SER B 100 0.470 20.094 -6.320 1.00 7.75 O ATOM 3326 CB SER B 100 -0.601 21.516 -4.173 1.00 7.45 C ATOM 3327 OG SER B 100 -1.411 22.373 -3.386 1.00 7.36 O ATOM 0 H SER B 100 -1.779 18.980 -3.596 1.00 7.67 H new ATOM 0 HA SER B 100 -2.120 21.077 -5.633 1.00 7.55 H new ATOM 0 HB2 SER B 100 0.089 20.970 -3.529 1.00 7.45 H new ATOM 0 HB3 SER B 100 0.004 22.110 -4.858 1.00 7.45 H new ATOM 0 HG SER B 100 -0.841 22.994 -2.887 1.00 7.36 H new ATOM 3333 N ASP B 101 -0.932 18.364 -5.944 1.00 6.80 N ATOM 3334 CA ASP B 101 -0.160 17.402 -6.739 1.00 6.71 C ATOM 3335 C ASP B 101 1.221 17.173 -6.112 1.00 6.51 C ATOM 3336 O ASP B 101 2.151 16.697 -6.761 1.00 6.46 O ATOM 3337 CB ASP B 101 -0.037 17.900 -8.194 1.00 7.30 C ATOM 3338 CG ASP B 101 0.567 16.880 -9.145 1.00 8.84 C ATOM 3339 OD1 ASP B 101 -0.136 15.920 -9.526 1.00 9.08 O ATOM 3340 OD2 ASP B 101 1.742 17.053 -9.540 1.00 8.97 O ATOM 0 H ASP B 101 -1.768 17.972 -5.511 1.00 6.80 H new ATOM 0 HA ASP B 101 -0.684 16.446 -6.748 1.00 6.71 H new ATOM 0 HB2 ASP B 101 -1.026 18.179 -8.557 1.00 7.30 H new ATOM 0 HB3 ASP B 101 0.574 18.802 -8.208 1.00 7.30 H new ATOM 3345 N GLU B 102 1.341 17.497 -4.833 1.00 6.62 N ATOM 3346 CA GLU B 102 2.598 17.335 -4.122 1.00 6.76 C ATOM 3347 C GLU B 102 2.790 15.883 -3.703 1.00 6.49 C ATOM 3348 O GLU B 102 1.832 15.202 -3.348 1.00 6.08 O ATOM 3349 CB GLU B 102 2.646 18.255 -2.893 1.00 6.92 C ATOM 3350 CG GLU B 102 1.711 17.842 -1.761 1.00 7.00 C ATOM 3351 CD GLU B 102 0.353 18.514 -1.826 1.00 7.52 C ATOM 3352 OE1 GLU B 102 -0.360 18.336 -2.834 1.00 7.71 O ATOM 3353 OE2 GLU B 102 -0.015 19.209 -0.852 1.00 7.71 O ATOM 0 H GLU B 102 0.581 17.874 -4.267 1.00 6.62 H new ATOM 0 HA GLU B 102 3.410 17.613 -4.794 1.00 6.76 H new ATOM 0 HB2 GLU B 102 3.667 18.281 -2.513 1.00 6.92 H new ATOM 0 HB3 GLU B 102 2.395 19.269 -3.203 1.00 6.92 H new ATOM 0 HG2 GLU B 102 1.575 16.761 -1.788 1.00 7.00 H new ATOM 0 HG3 GLU B 102 2.181 18.080 -0.807 1.00 7.00 H new ATOM 3360 N ILE B 103 4.022 15.402 -3.768 1.00 6.89 N ATOM 3361 CA ILE B 103 4.314 14.033 -3.375 1.00 6.86 C ATOM 3362 C ILE B 103 4.330 13.926 -1.857 1.00 6.92 C ATOM 3363 O ILE B 103 5.218 14.474 -1.201 1.00 6.97 O ATOM 3364 CB ILE B 103 5.669 13.552 -3.940 1.00 7.13 C ATOM 3365 CG1 ILE B 103 5.663 13.636 -5.469 1.00 7.47 C ATOM 3366 CG2 ILE B 103 5.963 12.128 -3.485 1.00 6.71 C ATOM 3367 CD1 ILE B 103 7.003 13.330 -6.097 1.00 8.04 C ATOM 0 H ILE B 103 4.831 15.936 -4.087 1.00 6.89 H new ATOM 0 HA ILE B 103 3.532 13.395 -3.787 1.00 6.86 H new ATOM 0 HB ILE B 103 6.456 14.202 -3.558 1.00 7.13 H new ATOM 0 HG12 ILE B 103 4.921 12.940 -5.860 1.00 7.47 H new ATOM 0 HG13 ILE B 103 5.351 14.637 -5.768 1.00 7.47 H new ATOM 0 HG21 ILE B 103 6.921 11.806 -3.893 1.00 6.71 H new ATOM 0 HG22 ILE B 103 6.002 12.095 -2.396 1.00 6.71 H new ATOM 0 HG23 ILE B 103 5.176 11.463 -3.840 1.00 6.71 H new ATOM 0 HD11 ILE B 103 6.923 13.409 -7.181 1.00 8.04 H new ATOM 0 HD12 ILE B 103 7.745 14.041 -5.735 1.00 8.04 H new ATOM 0 HD13 ILE B 103 7.308 12.319 -5.828 1.00 8.04 H new ATOM 3379 N GLU B 104 3.340 13.239 -1.300 1.00 7.07 N ATOM 3380 CA GLU B 104 3.253 13.074 0.143 1.00 7.39 C ATOM 3381 C GLU B 104 4.315 12.094 0.633 1.00 7.24 C ATOM 3382 O GLU B 104 4.995 12.353 1.625 1.00 7.56 O ATOM 3383 CB GLU B 104 1.845 12.622 0.562 1.00 7.11 C ATOM 3384 CG GLU B 104 1.200 11.609 -0.373 1.00 7.06 C ATOM 3385 CD GLU B 104 -0.264 11.361 -0.046 1.00 8.47 C ATOM 3386 OE1 GLU B 104 -0.600 11.206 1.148 1.00 8.35 O ATOM 3387 OE2 GLU B 104 -1.085 11.312 -0.983 1.00 8.81 O ATOM 0 H GLU B 104 2.590 12.789 -1.824 1.00 7.07 H new ATOM 0 HA GLU B 104 3.441 14.041 0.610 1.00 7.39 H new ATOM 0 HB2 GLU B 104 1.899 12.191 1.562 1.00 7.11 H new ATOM 0 HB3 GLU B 104 1.201 13.499 0.627 1.00 7.11 H new ATOM 0 HG2 GLU B 104 1.284 11.963 -1.400 1.00 7.06 H new ATOM 0 HG3 GLU B 104 1.746 10.667 -0.315 1.00 7.06 H new ATOM 3394 N TYR B 105 4.459 10.977 -0.070 1.00 6.81 N ATOM 3395 CA TYR B 105 5.453 9.968 0.280 1.00 6.65 C ATOM 3396 C TYR B 105 5.596 8.940 -0.837 1.00 5.83 C ATOM 3397 O TYR B 105 4.763 8.869 -1.744 1.00 5.31 O ATOM 3398 CB TYR B 105 5.115 9.261 1.606 1.00 7.23 C ATOM 3399 CG TYR B 105 3.646 8.956 1.814 1.00 7.06 C ATOM 3400 CD1 TYR B 105 3.029 7.901 1.157 1.00 6.65 C ATOM 3401 CD2 TYR B 105 2.881 9.724 2.681 1.00 7.40 C ATOM 3402 CE1 TYR B 105 1.691 7.621 1.358 1.00 6.52 C ATOM 3403 CE2 TYR B 105 1.546 9.450 2.888 1.00 7.32 C ATOM 3404 CZ TYR B 105 0.953 8.400 2.223 1.00 6.94 C ATOM 3405 OH TYR B 105 -0.381 8.131 2.425 1.00 6.84 O ATOM 0 H TYR B 105 3.898 10.746 -0.890 1.00 6.81 H new ATOM 0 HA TYR B 105 6.402 10.487 0.411 1.00 6.65 H new ATOM 0 HB2 TYR B 105 5.675 8.327 1.655 1.00 7.23 H new ATOM 0 HB3 TYR B 105 5.461 9.884 2.431 1.00 7.23 H new ATOM 0 HD1 TYR B 105 3.604 7.289 0.478 1.00 6.65 H new ATOM 0 HD2 TYR B 105 3.340 10.551 3.203 1.00 7.40 H new ATOM 0 HE1 TYR B 105 1.226 6.796 0.840 1.00 6.52 H new ATOM 0 HE2 TYR B 105 0.967 10.056 3.569 1.00 7.32 H new ATOM 0 HH TYR B 105 -0.751 8.774 3.065 1.00 6.84 H new ATOM 3415 N ILE B 106 6.660 8.158 -0.769 1.00 5.84 N ATOM 3416 CA ILE B 106 6.921 7.130 -1.758 1.00 5.13 C ATOM 3417 C ILE B 106 6.521 5.771 -1.202 1.00 4.98 C ATOM 3418 O ILE B 106 7.121 5.278 -0.241 1.00 5.41 O ATOM 3419 CB ILE B 106 8.409 7.097 -2.172 1.00 5.45 C ATOM 3420 CG1 ILE B 106 8.903 8.506 -2.516 1.00 6.30 C ATOM 3421 CG2 ILE B 106 8.604 6.159 -3.357 1.00 4.84 C ATOM 3422 CD1 ILE B 106 10.388 8.577 -2.802 1.00 6.78 C ATOM 0 H ILE B 106 7.362 8.218 -0.031 1.00 5.84 H new ATOM 0 HA ILE B 106 6.330 7.363 -2.643 1.00 5.13 H new ATOM 0 HB ILE B 106 8.996 6.725 -1.332 1.00 5.45 H new ATOM 0 HG12 ILE B 106 8.357 8.871 -3.386 1.00 6.30 H new ATOM 0 HG13 ILE B 106 8.669 9.176 -1.689 1.00 6.30 H new ATOM 0 HG21 ILE B 106 9.657 6.144 -3.640 1.00 4.84 H new ATOM 0 HG22 ILE B 106 8.288 5.153 -3.081 1.00 4.84 H new ATOM 0 HG23 ILE B 106 8.007 6.508 -4.199 1.00 4.84 H new ATOM 0 HD11 ILE B 106 10.664 9.605 -3.038 1.00 6.78 H new ATOM 0 HD12 ILE B 106 10.944 8.243 -1.926 1.00 6.78 H new ATOM 0 HD13 ILE B 106 10.627 7.934 -3.649 1.00 6.78 H new ATOM 3434 N ILE B 107 5.500 5.181 -1.798 1.00 4.66 N ATOM 3435 CA ILE B 107 5.008 3.884 -1.372 1.00 4.86 C ATOM 3436 C ILE B 107 5.753 2.779 -2.104 1.00 4.29 C ATOM 3437 O ILE B 107 5.470 2.483 -3.262 1.00 3.98 O ATOM 3438 CB ILE B 107 3.494 3.744 -1.629 1.00 5.29 C ATOM 3439 CG1 ILE B 107 2.734 4.866 -0.918 1.00 6.01 C ATOM 3440 CG2 ILE B 107 2.995 2.379 -1.168 1.00 5.80 C ATOM 3441 CD1 ILE B 107 1.241 4.841 -1.161 1.00 6.31 C ATOM 0 H ILE B 107 4.992 5.584 -2.585 1.00 4.66 H new ATOM 0 HA ILE B 107 5.182 3.797 -0.299 1.00 4.86 H new ATOM 0 HB ILE B 107 3.313 3.826 -2.701 1.00 5.29 H new ATOM 0 HG12 ILE B 107 2.920 4.795 0.154 1.00 6.01 H new ATOM 0 HG13 ILE B 107 3.130 5.826 -1.248 1.00 6.01 H new ATOM 0 HG21 ILE B 107 1.925 2.300 -1.358 1.00 5.80 H new ATOM 0 HG22 ILE B 107 3.520 1.596 -1.715 1.00 5.80 H new ATOM 0 HG23 ILE B 107 3.184 2.264 -0.101 1.00 5.80 H new ATOM 0 HD11 ILE B 107 0.771 5.666 -0.625 1.00 6.31 H new ATOM 0 HD12 ILE B 107 1.044 4.943 -2.228 1.00 6.31 H new ATOM 0 HD13 ILE B 107 0.830 3.896 -0.805 1.00 6.31 H new ATOM 3453 N CYS B 108 6.721 2.186 -1.434 1.00 4.36 N ATOM 3454 CA CYS B 108 7.506 1.125 -2.032 1.00 4.09 C ATOM 3455 C CYS B 108 6.859 -0.232 -1.806 1.00 4.49 C ATOM 3456 O CYS B 108 6.848 -0.754 -0.690 1.00 5.31 O ATOM 3457 CB CYS B 108 8.925 1.136 -1.471 1.00 3.74 C ATOM 3458 SG CYS B 108 9.960 2.456 -2.141 1.00 3.04 S ATOM 0 H CYS B 108 6.983 2.421 -0.476 1.00 4.36 H new ATOM 0 HA CYS B 108 7.549 1.302 -3.107 1.00 4.09 H new ATOM 0 HB2 CYS B 108 8.877 1.239 -0.387 1.00 3.74 H new ATOM 0 HB3 CYS B 108 9.396 0.175 -1.680 1.00 3.74 H new ATOM 0 HG CYS B 108 10.247 3.304 -1.198 1.00 3.04 H new ATOM 3464 N THR B 109 6.289 -0.781 -2.864 1.00 4.08 N ATOM 3465 CA THR B 109 5.661 -2.083 -2.806 1.00 4.65 C ATOM 3466 C THR B 109 6.733 -3.166 -2.926 1.00 5.11 C ATOM 3467 O THR B 109 7.054 -3.622 -4.025 1.00 5.24 O ATOM 3468 CB THR B 109 4.620 -2.243 -3.934 1.00 5.03 C ATOM 3469 OG1 THR B 109 4.056 -0.958 -4.268 1.00 4.85 O ATOM 3470 CG2 THR B 109 3.509 -3.195 -3.516 1.00 5.48 C ATOM 0 H THR B 109 6.250 -0.337 -3.782 1.00 4.08 H new ATOM 0 HA THR B 109 5.143 -2.182 -1.852 1.00 4.65 H new ATOM 0 HB THR B 109 5.123 -2.659 -4.807 1.00 5.03 H new ATOM 0 HG1 THR B 109 4.678 -0.468 -4.845 1.00 4.85 H new ATOM 0 HG21 THR B 109 2.788 -3.291 -4.328 1.00 5.48 H new ATOM 0 HG22 THR B 109 3.934 -4.173 -3.290 1.00 5.48 H new ATOM 0 HG23 THR B 109 3.008 -2.804 -2.630 1.00 5.48 H new ATOM 3478 N ASN B 110 7.305 -3.537 -1.789 1.00 5.49 N ATOM 3479 CA ASN B 110 8.359 -4.542 -1.745 1.00 6.04 C ATOM 3480 C ASN B 110 7.801 -5.916 -2.071 1.00 6.71 C ATOM 3481 O ASN B 110 6.685 -6.238 -1.681 1.00 6.90 O ATOM 3482 CB ASN B 110 9.016 -4.567 -0.361 1.00 6.01 C ATOM 3483 CG ASN B 110 10.019 -3.447 -0.164 1.00 6.09 C ATOM 3484 OD1 ASN B 110 9.951 -2.407 -0.816 1.00 6.05 O ATOM 3485 ND2 ASN B 110 10.959 -3.650 0.746 1.00 6.27 N ATOM 0 H ASN B 110 7.054 -3.154 -0.878 1.00 5.49 H new ATOM 0 HA ASN B 110 9.109 -4.280 -2.491 1.00 6.04 H new ATOM 0 HB2 ASN B 110 8.243 -4.494 0.404 1.00 6.01 H new ATOM 0 HB3 ASN B 110 9.516 -5.525 -0.219 1.00 6.01 H new ATOM 0 HD21 ASN B 110 11.659 -2.930 0.926 1.00 6.27 H new ATOM 0 HD22 ASN B 110 10.983 -4.526 1.267 1.00 6.27 H new ATOM 3492 N THR B 111 8.566 -6.707 -2.810 1.00 7.16 N ATOM 3493 CA THR B 111 8.152 -8.053 -3.182 1.00 7.90 C ATOM 3494 C THR B 111 9.373 -8.956 -3.327 1.00 8.33 C ATOM 3495 O THR B 111 10.198 -8.750 -4.215 1.00 8.01 O ATOM 3496 CB THR B 111 7.371 -8.054 -4.511 1.00 8.30 C ATOM 3497 OG1 THR B 111 6.508 -6.910 -4.574 1.00 8.18 O ATOM 3498 CG2 THR B 111 6.549 -9.324 -4.653 1.00 8.61 C ATOM 0 H THR B 111 9.483 -6.437 -3.166 1.00 7.16 H new ATOM 0 HA THR B 111 7.501 -8.426 -2.392 1.00 7.90 H new ATOM 0 HB THR B 111 8.089 -8.012 -5.330 1.00 8.30 H new ATOM 0 HG1 THR B 111 7.041 -6.108 -4.755 1.00 8.18 H new ATOM 0 HG21 THR B 111 6.006 -9.302 -5.598 1.00 8.61 H new ATOM 0 HG22 THR B 111 7.211 -10.190 -4.634 1.00 8.61 H new ATOM 0 HG23 THR B 111 5.839 -9.392 -3.829 1.00 8.61 H new ATOM 3506 N ASN B 112 9.502 -9.942 -2.449 1.00 9.14 N ATOM 3507 CA ASN B 112 10.636 -10.856 -2.504 1.00 9.70 C ATOM 3508 C ASN B 112 10.541 -11.770 -3.717 1.00 10.21 C ATOM 3509 O ASN B 112 9.483 -12.331 -4.013 1.00 10.32 O ATOM 3510 CB ASN B 112 10.739 -11.699 -1.225 1.00 10.52 C ATOM 3511 CG ASN B 112 11.733 -12.844 -1.370 1.00 11.13 C ATOM 3512 OD1 ASN B 112 11.353 -13.992 -1.608 1.00 11.84 O ATOM 3513 ND2 ASN B 112 13.016 -12.538 -1.241 1.00 10.90 N ATOM 0 H ASN B 112 8.841 -10.129 -1.695 1.00 9.14 H new ATOM 0 HA ASN B 112 11.536 -10.248 -2.590 1.00 9.70 H new ATOM 0 HB2 ASN B 112 11.041 -11.061 -0.394 1.00 10.52 H new ATOM 0 HB3 ASN B 112 9.757 -12.102 -0.977 1.00 10.52 H new ATOM 0 HD21 ASN B 112 13.726 -13.264 -1.339 1.00 10.90 H new ATOM 0 HD22 ASN B 112 13.294 -11.577 -1.044 1.00 10.90 H new ATOM 3520 N VAL B 113 11.650 -11.896 -4.424 1.00 10.57 N ATOM 3521 CA VAL B 113 11.721 -12.746 -5.596 1.00 11.22 C ATOM 3522 C VAL B 113 12.664 -13.908 -5.320 1.00 11.42 C ATOM 3523 O VAL B 113 12.309 -15.073 -5.504 1.00 11.44 O ATOM 3524 CB VAL B 113 12.212 -11.964 -6.836 1.00 11.03 C ATOM 3525 CG1 VAL B 113 12.288 -12.872 -8.053 1.00 11.77 C ATOM 3526 CG2 VAL B 113 11.304 -10.775 -7.112 1.00 10.85 C ATOM 0 H VAL B 113 12.521 -11.414 -4.202 1.00 10.57 H new ATOM 0 HA VAL B 113 10.718 -13.117 -5.808 1.00 11.22 H new ATOM 0 HB VAL B 113 13.215 -11.591 -6.627 1.00 11.03 H new ATOM 0 HG11 VAL B 113 12.636 -12.300 -8.913 1.00 11.77 H new ATOM 0 HG12 VAL B 113 12.983 -13.688 -7.855 1.00 11.77 H new ATOM 0 HG13 VAL B 113 11.300 -13.280 -8.265 1.00 11.77 H new ATOM 0 HG21 VAL B 113 11.665 -10.237 -7.988 1.00 10.85 H new ATOM 0 HG22 VAL B 113 10.289 -11.127 -7.296 1.00 10.85 H new ATOM 0 HG23 VAL B 113 11.306 -10.108 -6.250 1.00 10.85 H new ATOM 3536 N LYS B 114 13.859 -13.577 -4.849 1.00 11.62 N ATOM 3537 CA LYS B 114 14.867 -14.577 -4.532 1.00 11.92 C ATOM 3538 C LYS B 114 15.517 -14.242 -3.195 1.00 12.21 C ATOM 3539 O LYS B 114 14.840 -14.375 -2.158 1.00 12.68 O ATOM 3540 CB LYS B 114 15.927 -14.640 -5.637 1.00 12.06 C ATOM 3541 CG LYS B 114 15.386 -15.118 -6.976 1.00 11.92 C ATOM 3542 CD LYS B 114 16.368 -14.861 -8.108 1.00 12.03 C ATOM 3543 CE LYS B 114 17.607 -15.733 -7.992 1.00 11.97 C ATOM 3544 NZ LYS B 114 18.488 -15.601 -9.183 1.00 12.15 N ATOM 0 H LYS B 114 14.154 -12.616 -4.677 1.00 11.62 H new ATOM 0 HA LYS B 114 14.387 -15.553 -4.463 1.00 11.92 H new ATOM 0 HB2 LYS B 114 16.365 -13.650 -5.765 1.00 12.06 H new ATOM 0 HB3 LYS B 114 16.730 -15.306 -5.321 1.00 12.06 H new ATOM 0 HG2 LYS B 114 15.168 -16.184 -6.920 1.00 11.92 H new ATOM 0 HG3 LYS B 114 14.445 -14.611 -7.189 1.00 11.92 H new ATOM 0 HD2 LYS B 114 15.879 -15.051 -9.063 1.00 12.03 H new ATOM 0 HD3 LYS B 114 16.661 -13.811 -8.103 1.00 12.03 H new ATOM 0 HE2 LYS B 114 18.163 -15.457 -7.096 1.00 11.97 H new ATOM 0 HE3 LYS B 114 17.309 -16.775 -7.874 1.00 11.97 H new ATOM 0 HZ1 LYS B 114 19.322 -16.211 -9.067 1.00 12.15 H new ATOM 0 HZ2 LYS B 114 17.965 -15.888 -10.035 1.00 12.15 H new ATOM 0 HZ3 LYS B 114 18.793 -14.612 -9.281 1.00 12.15 H new TER 3558 LYS B 114