USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1063 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: A 124 MET CE :methyl -140:sc= -1.12 (180deg=-2.87) USER MOD Set 1.2: A 148 LYS NZ :NH3+ -150:sc= -0.0511 (180deg=-0.329) USER MOD Set 2.1: A 8 GLN : amide:sc= -0.194 K(o=-3.4,f=-5.5) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.89 K(o=-3.4,f=-7.5) USER MOD Set 2.3: A 72 MET CE :methyl -105:sc= -0.91 (180deg=-2.21!) USER MOD Set 2.4: A 76 MET CE :methyl 148:sc= -0.4 (180deg=-2.66!) USER MOD Set 3.1: A 58 ASN :FLIP amide:sc= -1.74! C(o=-7.8!,f=-7.2!) USER MOD Set 3.2: A 59 ASN :FLIP amide:sc= -5.47! C(o=-11!,f=-7.2!) USER MOD Set 4.1: A 24 THR OG1 : rot 171:sc= 0.273 USER MOD Set 4.2: A 26 LYS NZ :NH3+ -171:sc= -0.0041 (180deg=-0.0837) USER MOD Set 4.3: A 62 GLN :FLIP amide:sc= -3.45 F(o=-7.2!,f=-3.2) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= -0.0156 (180deg=-0.16) USER MOD Single : A 18 GLN :FLIP amide:sc=-0.00104 F(o=-1.4!,f=-0.001) USER MOD Single : A 21 LYS NZ :NH3+ 161:sc= -1.97! (180deg=-3.03!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0469 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 171:sc= -3.85! (180deg=-4!) USER MOD Single : A 38 THR OG1 : rot -13:sc= 0.129! USER MOD Single : A 42 ASN : amide:sc= -0.734 X(o=-0.73,f=-0.39) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.83) USER MOD Single : A 57 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.1) USER MOD Single : A 60 ASN :FLIP amide:sc= -4.48 F(o=-6.1!,f=-4.5) USER MOD Single : A 64 ASN : amide:sc= -3.71! C(o=-3.7!,f=-9.4!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 69 CYS SG : rot 73:sc= -0.0339 USER MOD Single : A 74 LYS NZ :NH3+ -162:sc= -0.0845 (180deg=-0.404) USER MOD Single : A 75 GLN : amide:sc= -0.803 K(o=-0.8,f=-2.9!) USER MOD Single : A 85 MET CE :methyl 163:sc= -3.81! (180deg=-4.17!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -1.61! USER MOD Single : A 109 MET CE :methyl -151:sc= -8.48! (180deg=-11!) USER MOD Single : A 111 ASN : amide:sc= -1.67! X(o=-1.7!,f=-1.5) USER MOD Single : A 115 LYS NZ :NH3+ 167:sc= -0.0247 (180deg=-0.217) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : A 135 MET CE :methyl -172:sc= -1.63 (180deg=-1.79) USER MOD Single : A 137 ASN :FLIP amide:sc= -4.31! C(o=-5.7!,f=-4.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl 148:sc= -3.16! (180deg=-4.26!) USER MOD Single : A 146 SER OG : rot 99:sc= 1.23 USER MOD Single : A 147 GLN : amide:sc= -1.41 K(o=-1.4,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 11.375 -14.511 3.393 1.00 0.87 N ATOM 13 CA GLU A 3 11.798 -13.826 4.611 1.00 0.57 C ATOM 14 C GLU A 3 13.238 -13.343 4.498 1.00 0.48 C ATOM 15 O GLU A 3 13.886 -13.520 3.466 1.00 0.55 O ATOM 16 CB GLU A 3 11.676 -14.758 5.818 1.00 0.70 C ATOM 17 CG GLU A 3 10.241 -15.065 6.218 1.00 1.23 C ATOM 18 CD GLU A 3 10.156 -16.010 7.399 1.00 1.78 C ATOM 19 OE1 GLU A 3 10.359 -15.551 8.543 1.00 2.49 O ATOM 20 OE2 GLU A 3 9.889 -17.211 7.182 1.00 2.20 O ATOM 0 HA GLU A 3 11.145 -12.964 4.746 1.00 0.57 H new ATOM 0 HB2 GLU A 3 12.189 -15.694 5.595 1.00 0.70 H new ATOM 0 HB3 GLU A 3 12.191 -14.307 6.666 1.00 0.70 H new ATOM 0 HG2 GLU A 3 9.729 -14.135 6.464 1.00 1.23 H new ATOM 0 HG3 GLU A 3 9.716 -15.502 5.369 1.00 1.23 H new ATOM 27 N LEU A 4 13.730 -12.733 5.572 1.00 0.44 N ATOM 28 CA LEU A 4 15.096 -12.234 5.609 1.00 0.39 C ATOM 29 C LEU A 4 16.070 -13.375 5.892 1.00 0.37 C ATOM 30 O LEU A 4 16.528 -13.549 7.023 1.00 0.45 O ATOM 31 CB LEU A 4 15.238 -11.147 6.680 1.00 0.47 C ATOM 32 CG LEU A 4 14.231 -9.995 6.591 1.00 0.43 C ATOM 33 CD1 LEU A 4 14.509 -8.968 7.673 1.00 1.12 C ATOM 34 CD2 LEU A 4 14.267 -9.348 5.215 1.00 1.25 C ATOM 0 H LEU A 4 13.200 -12.573 6.429 1.00 0.44 H new ATOM 0 HA LEU A 4 15.332 -11.802 4.636 1.00 0.39 H new ATOM 0 HB2 LEU A 4 15.144 -11.614 7.661 1.00 0.47 H new ATOM 0 HB3 LEU A 4 16.244 -10.732 6.620 1.00 0.47 H new ATOM 0 HG LEU A 4 13.231 -10.401 6.746 1.00 0.43 H new ATOM 0 HD11 LEU A 4 13.786 -8.156 7.598 1.00 1.12 H new ATOM 0 HD12 LEU A 4 14.425 -9.439 8.652 1.00 1.12 H new ATOM 0 HD13 LEU A 4 15.516 -8.570 7.547 1.00 1.12 H new ATOM 0 HD21 LEU A 4 13.544 -8.533 5.177 1.00 1.25 H new ATOM 0 HD22 LEU A 4 15.266 -8.956 5.023 1.00 1.25 H new ATOM 0 HD23 LEU A 4 14.017 -10.091 4.457 1.00 1.25 H new ATOM 46 N THR A 5 16.375 -14.153 4.859 1.00 0.35 N ATOM 47 CA THR A 5 17.291 -15.280 4.992 1.00 0.37 C ATOM 48 C THR A 5 18.689 -14.894 4.509 1.00 0.35 C ATOM 49 O THR A 5 18.840 -13.945 3.752 1.00 0.39 O ATOM 50 CB THR A 5 16.781 -16.500 4.196 1.00 0.40 C ATOM 51 OG1 THR A 5 15.487 -16.886 4.676 1.00 0.46 O ATOM 52 CG2 THR A 5 17.737 -17.680 4.313 1.00 0.47 C ATOM 0 H THR A 5 16.001 -14.023 3.919 1.00 0.35 H new ATOM 0 HA THR A 5 17.341 -15.548 6.047 1.00 0.37 H new ATOM 0 HB THR A 5 16.719 -16.213 3.146 1.00 0.40 H new ATOM 0 HG1 THR A 5 15.167 -17.660 4.167 1.00 0.46 H new ATOM 0 HG21 THR A 5 17.348 -18.522 3.741 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.714 -17.397 3.922 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.834 -17.967 5.360 1.00 0.47 H new ATOM 60 N GLU A 6 19.703 -15.632 4.951 1.00 0.36 N ATOM 61 CA GLU A 6 21.089 -15.353 4.571 1.00 0.37 C ATOM 62 C GLU A 6 21.212 -14.932 3.105 1.00 0.33 C ATOM 63 O GLU A 6 21.978 -14.027 2.770 1.00 0.34 O ATOM 64 CB GLU A 6 21.956 -16.586 4.825 1.00 0.45 C ATOM 65 CG GLU A 6 21.401 -17.860 4.210 1.00 0.87 C ATOM 66 CD GLU A 6 22.287 -19.064 4.467 1.00 0.98 C ATOM 67 OE1 GLU A 6 22.118 -19.711 5.521 1.00 1.17 O ATOM 68 OE2 GLU A 6 23.147 -19.360 3.611 1.00 1.20 O ATOM 0 H GLU A 6 19.593 -16.431 5.575 1.00 0.36 H new ATOM 0 HA GLU A 6 21.434 -14.521 5.185 1.00 0.37 H new ATOM 0 HB2 GLU A 6 22.954 -16.406 4.426 1.00 0.45 H new ATOM 0 HB3 GLU A 6 22.063 -16.729 5.900 1.00 0.45 H new ATOM 0 HG2 GLU A 6 20.407 -18.052 4.614 1.00 0.87 H new ATOM 0 HG3 GLU A 6 21.286 -17.720 3.135 1.00 0.87 H new ATOM 75 N GLU A 7 20.440 -15.582 2.242 1.00 0.34 N ATOM 76 CA GLU A 7 20.464 -15.292 0.813 1.00 0.35 C ATOM 77 C GLU A 7 19.783 -13.964 0.502 1.00 0.30 C ATOM 78 O GLU A 7 20.378 -13.079 -0.114 1.00 0.30 O ATOM 79 CB GLU A 7 19.787 -16.421 0.033 1.00 0.44 C ATOM 80 CG GLU A 7 18.430 -16.829 0.588 1.00 0.47 C ATOM 81 CD GLU A 7 17.746 -17.881 -0.261 1.00 0.57 C ATOM 82 OE1 GLU A 7 17.035 -17.503 -1.216 1.00 0.64 O ATOM 83 OE2 GLU A 7 17.919 -19.084 0.028 1.00 0.61 O ATOM 0 H GLU A 7 19.786 -16.318 2.509 1.00 0.34 H new ATOM 0 HA GLU A 7 21.507 -15.216 0.506 1.00 0.35 H new ATOM 0 HB2 GLU A 7 19.665 -16.110 -1.005 1.00 0.44 H new ATOM 0 HB3 GLU A 7 20.443 -17.291 0.030 1.00 0.44 H new ATOM 0 HG2 GLU A 7 18.556 -17.211 1.601 1.00 0.47 H new ATOM 0 HG3 GLU A 7 17.790 -15.949 0.656 1.00 0.47 H new ATOM 90 N GLN A 8 18.533 -13.831 0.929 1.00 0.30 N ATOM 91 CA GLN A 8 17.773 -12.611 0.699 1.00 0.30 C ATOM 92 C GLN A 8 18.464 -11.422 1.349 1.00 0.25 C ATOM 93 O GLN A 8 18.699 -10.401 0.706 1.00 0.24 O ATOM 94 CB GLN A 8 16.358 -12.774 1.251 1.00 0.35 C ATOM 95 CG GLN A 8 15.470 -13.649 0.383 1.00 0.45 C ATOM 96 CD GLN A 8 15.229 -13.052 -0.989 1.00 0.72 C ATOM 97 OE1 GLN A 8 15.983 -13.304 -1.930 1.00 1.32 O ATOM 98 NE2 GLN A 8 14.174 -12.255 -1.111 1.00 1.02 N ATOM 0 H GLN A 8 18.025 -14.555 1.437 1.00 0.30 H new ATOM 0 HA GLN A 8 17.716 -12.426 -0.374 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.413 -13.204 2.251 1.00 0.35 H new ATOM 0 HB3 GLN A 8 15.899 -11.790 1.352 1.00 0.35 H new ATOM 0 HG2 GLN A 8 15.930 -14.631 0.273 1.00 0.45 H new ATOM 0 HG3 GLN A 8 14.513 -13.799 0.883 1.00 0.45 H new ATOM 0 HE21 GLN A 8 13.576 -12.074 -0.305 1.00 1.02 H new ATOM 0 HE22 GLN A 8 13.962 -11.824 -2.011 1.00 1.02 H new ATOM 107 N ILE A 9 18.788 -11.572 2.628 1.00 0.25 N ATOM 108 CA ILE A 9 19.466 -10.526 3.380 1.00 0.26 C ATOM 109 C ILE A 9 20.641 -9.968 2.595 1.00 0.25 C ATOM 110 O ILE A 9 20.719 -8.768 2.352 1.00 0.27 O ATOM 111 CB ILE A 9 19.971 -11.043 4.743 1.00 0.32 C ATOM 112 CG1 ILE A 9 18.792 -11.459 5.626 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.808 -9.977 5.440 1.00 0.34 C ATOM 114 CD1 ILE A 9 19.209 -12.069 6.947 1.00 0.45 C ATOM 0 H ILE A 9 18.590 -12.414 3.168 1.00 0.25 H new ATOM 0 HA ILE A 9 18.735 -9.736 3.552 1.00 0.26 H new ATOM 0 HB ILE A 9 20.599 -11.917 4.570 1.00 0.32 H new ATOM 0 HG12 ILE A 9 18.168 -10.586 5.819 1.00 0.37 H new ATOM 0 HG13 ILE A 9 18.177 -12.176 5.082 1.00 0.37 H new ATOM 0 HG21 ILE A 9 21.156 -10.358 6.400 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.666 -9.723 4.817 1.00 0.34 H new ATOM 0 HG23 ILE A 9 20.201 -9.086 5.602 1.00 0.34 H new ATOM 0 HD11 ILE A 9 18.322 -12.339 7.519 1.00 0.45 H new ATOM 0 HD12 ILE A 9 19.808 -12.961 6.763 1.00 0.45 H new ATOM 0 HD13 ILE A 9 19.799 -11.347 7.511 1.00 0.45 H new ATOM 126 N ALA A 10 21.540 -10.852 2.187 1.00 0.26 N ATOM 127 CA ALA A 10 22.722 -10.451 1.436 1.00 0.28 C ATOM 128 C ALA A 10 22.362 -9.894 0.059 1.00 0.24 C ATOM 129 O ALA A 10 23.115 -9.102 -0.511 1.00 0.25 O ATOM 130 CB ALA A 10 23.665 -11.636 1.298 1.00 0.36 C ATOM 0 H ALA A 10 21.473 -11.854 2.364 1.00 0.26 H new ATOM 0 HA ALA A 10 23.217 -9.651 1.988 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.549 -11.334 0.736 1.00 0.36 H new ATOM 0 HB2 ALA A 10 23.965 -11.980 2.288 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.158 -12.445 0.771 1.00 0.36 H new ATOM 136 N GLU A 11 21.208 -10.296 -0.470 1.00 0.24 N ATOM 137 CA GLU A 11 20.782 -9.838 -1.790 1.00 0.25 C ATOM 138 C GLU A 11 20.445 -8.347 -1.798 1.00 0.22 C ATOM 139 O GLU A 11 21.029 -7.580 -2.567 1.00 0.22 O ATOM 140 CB GLU A 11 19.572 -10.643 -2.274 1.00 0.31 C ATOM 141 CG GLU A 11 18.984 -10.126 -3.580 1.00 0.40 C ATOM 142 CD GLU A 11 19.948 -10.251 -4.744 1.00 1.06 C ATOM 143 OE1 GLU A 11 20.739 -9.308 -4.962 1.00 1.93 O ATOM 144 OE2 GLU A 11 19.912 -11.289 -5.437 1.00 1.02 O ATOM 0 H GLU A 11 20.557 -10.932 -0.010 1.00 0.24 H new ATOM 0 HA GLU A 11 21.620 -9.997 -2.469 1.00 0.25 H new ATOM 0 HB2 GLU A 11 19.866 -11.684 -2.404 1.00 0.31 H new ATOM 0 HB3 GLU A 11 18.801 -10.624 -1.504 1.00 0.31 H new ATOM 0 HG2 GLU A 11 18.072 -10.678 -3.807 1.00 0.40 H new ATOM 0 HG3 GLU A 11 18.701 -9.080 -3.458 1.00 0.40 H new ATOM 151 N PHE A 12 19.517 -7.932 -0.939 1.00 0.21 N ATOM 152 CA PHE A 12 19.124 -6.528 -0.889 1.00 0.23 C ATOM 153 C PHE A 12 20.130 -5.703 -0.097 1.00 0.20 C ATOM 154 O PHE A 12 20.266 -4.503 -0.326 1.00 0.22 O ATOM 155 CB PHE A 12 17.714 -6.362 -0.316 1.00 0.29 C ATOM 156 CG PHE A 12 17.525 -6.943 1.052 1.00 0.27 C ATOM 157 CD1 PHE A 12 17.971 -6.262 2.172 1.00 0.32 C ATOM 158 CD2 PHE A 12 16.918 -8.175 1.219 1.00 0.27 C ATOM 159 CE1 PHE A 12 17.812 -6.797 3.432 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.756 -8.715 2.476 1.00 0.28 C ATOM 161 CZ PHE A 12 17.148 -8.008 3.583 1.00 0.33 C ATOM 0 H PHE A 12 19.030 -8.538 -0.278 1.00 0.21 H new ATOM 0 HA PHE A 12 19.113 -6.156 -1.913 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.473 -5.300 -0.282 1.00 0.29 H new ATOM 0 HB3 PHE A 12 17.002 -6.829 -0.996 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.449 -5.300 2.057 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.567 -8.719 0.355 1.00 0.27 H new ATOM 0 HE1 PHE A 12 18.201 -6.279 4.296 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.320 -9.696 2.589 1.00 0.28 H new ATOM 0 HZ PHE A 12 16.941 -8.392 4.571 1.00 0.33 H new ATOM 171 N LYS A 13 20.830 -6.340 0.839 1.00 0.18 N ATOM 172 CA LYS A 13 21.836 -5.641 1.627 1.00 0.21 C ATOM 173 C LYS A 13 22.958 -5.173 0.709 1.00 0.19 C ATOM 174 O LYS A 13 23.566 -4.125 0.931 1.00 0.24 O ATOM 175 CB LYS A 13 22.389 -6.539 2.741 1.00 0.26 C ATOM 176 CG LYS A 13 23.670 -6.016 3.377 1.00 0.31 C ATOM 177 CD LYS A 13 23.448 -4.687 4.084 1.00 0.40 C ATOM 178 CE LYS A 13 24.757 -4.109 4.597 1.00 0.68 C ATOM 179 NZ LYS A 13 25.433 -5.028 5.553 1.00 1.53 N ATOM 0 H LYS A 13 20.720 -7.328 1.067 1.00 0.18 H new ATOM 0 HA LYS A 13 21.373 -4.777 2.103 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.630 -6.650 3.515 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.577 -7.533 2.334 1.00 0.26 H new ATOM 0 HG2 LYS A 13 24.047 -6.749 4.090 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.434 -5.896 2.609 1.00 0.31 H new ATOM 0 HD2 LYS A 13 22.981 -3.981 3.398 1.00 0.40 H new ATOM 0 HD3 LYS A 13 22.758 -4.826 4.917 1.00 0.40 H new ATOM 0 HE2 LYS A 13 25.420 -3.909 3.755 1.00 0.68 H new ATOM 0 HE3 LYS A 13 24.565 -3.154 5.086 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 26.227 -4.534 6.007 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 24.754 -5.334 6.280 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 25.790 -5.860 5.041 1.00 1.53 H new ATOM 193 N ASP A 14 23.225 -5.965 -0.326 1.00 0.16 N ATOM 194 CA ASP A 14 24.249 -5.626 -1.304 1.00 0.19 C ATOM 195 C ASP A 14 23.761 -4.478 -2.177 1.00 0.18 C ATOM 196 O ASP A 14 24.441 -3.464 -2.334 1.00 0.20 O ATOM 197 CB ASP A 14 24.584 -6.841 -2.171 1.00 0.23 C ATOM 198 CG ASP A 14 25.736 -6.575 -3.121 1.00 0.30 C ATOM 199 OD1 ASP A 14 26.896 -6.819 -2.729 1.00 0.38 O ATOM 200 OD2 ASP A 14 25.477 -6.124 -4.255 1.00 0.39 O ATOM 0 H ASP A 14 22.745 -6.846 -0.507 1.00 0.16 H new ATOM 0 HA ASP A 14 25.153 -5.319 -0.778 1.00 0.19 H new ATOM 0 HB2 ASP A 14 24.835 -7.685 -1.528 1.00 0.23 H new ATOM 0 HB3 ASP A 14 23.703 -7.128 -2.745 1.00 0.23 H new ATOM 205 N ALA A 15 22.568 -4.647 -2.742 1.00 0.17 N ATOM 206 CA ALA A 15 21.971 -3.622 -3.586 1.00 0.19 C ATOM 207 C ALA A 15 21.716 -2.351 -2.784 1.00 0.20 C ATOM 208 O ALA A 15 21.467 -1.286 -3.346 1.00 0.24 O ATOM 209 CB ALA A 15 20.675 -4.133 -4.202 1.00 0.22 C ATOM 0 H ALA A 15 21.998 -5.485 -2.629 1.00 0.17 H new ATOM 0 HA ALA A 15 22.668 -3.386 -4.390 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.240 -3.356 -4.830 1.00 0.22 H new ATOM 0 HB2 ALA A 15 20.883 -5.015 -4.807 1.00 0.22 H new ATOM 0 HB3 ALA A 15 19.974 -4.394 -3.410 1.00 0.22 H new ATOM 215 N PHE A 16 21.782 -2.478 -1.464 1.00 0.21 N ATOM 216 CA PHE A 16 21.558 -1.353 -0.566 1.00 0.25 C ATOM 217 C PHE A 16 22.808 -0.489 -0.460 1.00 0.23 C ATOM 218 O PHE A 16 22.745 0.731 -0.606 1.00 0.24 O ATOM 219 CB PHE A 16 21.147 -1.866 0.817 1.00 0.31 C ATOM 220 CG PHE A 16 21.077 -0.799 1.873 1.00 0.35 C ATOM 221 CD1 PHE A 16 20.124 0.203 1.795 1.00 0.43 C ATOM 222 CD2 PHE A 16 21.966 -0.794 2.936 1.00 0.41 C ATOM 223 CE1 PHE A 16 20.057 1.190 2.758 1.00 0.52 C ATOM 224 CE2 PHE A 16 21.905 0.192 3.902 1.00 0.50 C ATOM 225 CZ PHE A 16 20.946 1.158 3.839 1.00 0.54 C ATOM 0 H PHE A 16 21.991 -3.356 -0.990 1.00 0.21 H new ATOM 0 HA PHE A 16 20.754 -0.738 -0.972 1.00 0.25 H new ATOM 0 HB2 PHE A 16 20.173 -2.349 0.739 1.00 0.31 H new ATOM 0 HB3 PHE A 16 21.857 -2.630 1.135 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.425 0.212 0.971 1.00 0.43 H new ATOM 0 HD2 PHE A 16 22.714 -1.569 3.010 1.00 0.41 H new ATOM 0 HE1 PHE A 16 19.325 1.980 2.678 1.00 0.52 H new ATOM 0 HE2 PHE A 16 22.621 0.197 4.711 1.00 0.50 H new ATOM 0 HZ PHE A 16 20.872 1.898 4.622 1.00 0.54 H new ATOM 235 N VAL A 17 23.944 -1.129 -0.211 1.00 0.23 N ATOM 236 CA VAL A 17 25.207 -0.417 -0.085 1.00 0.24 C ATOM 237 C VAL A 17 25.662 0.122 -1.435 1.00 0.23 C ATOM 238 O VAL A 17 26.519 1.005 -1.507 1.00 0.28 O ATOM 239 CB VAL A 17 26.310 -1.320 0.499 1.00 0.28 C ATOM 240 CG1 VAL A 17 25.987 -1.699 1.937 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.494 -2.564 -0.356 1.00 0.76 C ATOM 0 H VAL A 17 24.015 -2.140 -0.093 1.00 0.23 H new ATOM 0 HA VAL A 17 25.038 0.414 0.599 1.00 0.24 H new ATOM 0 HB VAL A 17 27.246 -0.762 0.495 1.00 0.28 H new ATOM 0 HG11 VAL A 17 26.778 -2.337 2.332 1.00 0.90 H new ATOM 0 HG12 VAL A 17 25.913 -0.796 2.543 1.00 0.90 H new ATOM 0 HG13 VAL A 17 25.039 -2.236 1.968 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.277 -3.188 0.074 1.00 0.76 H new ATOM 0 HG22 VAL A 17 25.560 -3.125 -0.388 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.777 -2.272 -1.367 1.00 0.76 H new ATOM 251 N GLN A 18 25.084 -0.417 -2.505 1.00 0.20 N ATOM 252 CA GLN A 18 25.427 0.014 -3.856 1.00 0.21 C ATOM 253 C GLN A 18 24.940 1.436 -4.128 1.00 0.21 C ATOM 254 O GLN A 18 25.535 2.159 -4.927 1.00 0.26 O ATOM 255 CB GLN A 18 24.840 -0.949 -4.891 1.00 0.24 C ATOM 256 CG GLN A 18 25.646 -2.228 -5.056 1.00 0.29 C ATOM 257 CD GLN A 18 25.292 -2.984 -6.322 1.00 1.04 C ATOM 258 OE1 GLN A 18 24.383 -3.945 -6.207 1.00 1.86 O flip ATOM 259 NE2 GLN A 18 25.841 -2.716 -7.391 1.00 1.60 N flip ATOM 0 H GLN A 18 24.377 -1.151 -2.463 1.00 0.20 H new ATOM 0 HA GLN A 18 26.514 0.007 -3.939 1.00 0.21 H new ATOM 0 HB2 GLN A 18 23.822 -1.206 -4.600 1.00 0.24 H new ATOM 0 HB3 GLN A 18 24.778 -0.441 -5.854 1.00 0.24 H new ATOM 0 HG2 GLN A 18 26.708 -1.984 -5.069 1.00 0.29 H new ATOM 0 HG3 GLN A 18 25.477 -2.873 -4.194 1.00 0.29 H new ATOM 0 HE21 GLN A 18 26.534 -1.969 -7.435 1.00 1.60 H new ATOM 0 HE22 GLN A 18 25.602 -3.241 -8.233 1.00 1.60 H new ATOM 268 N PHE A 19 23.857 1.835 -3.463 1.00 0.22 N ATOM 269 CA PHE A 19 23.304 3.175 -3.645 1.00 0.25 C ATOM 270 C PHE A 19 23.734 4.113 -2.523 1.00 0.23 C ATOM 271 O PHE A 19 23.331 5.276 -2.486 1.00 0.32 O ATOM 272 CB PHE A 19 21.777 3.122 -3.727 1.00 0.29 C ATOM 273 CG PHE A 19 21.271 2.501 -4.997 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.283 3.216 -6.184 1.00 0.64 C ATOM 275 CD2 PHE A 19 20.784 1.205 -5.006 1.00 0.44 C ATOM 276 CE1 PHE A 19 20.819 2.649 -7.356 1.00 0.69 C ATOM 277 CE2 PHE A 19 20.319 0.632 -6.174 1.00 0.46 C ATOM 278 CZ PHE A 19 20.336 1.355 -7.350 1.00 0.42 C ATOM 0 H PHE A 19 23.348 1.253 -2.797 1.00 0.22 H new ATOM 0 HA PHE A 19 23.696 3.566 -4.584 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.394 2.557 -2.877 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.380 4.134 -3.642 1.00 0.29 H new ATOM 0 HD1 PHE A 19 21.659 4.228 -6.193 1.00 0.64 H new ATOM 0 HD2 PHE A 19 20.767 0.635 -4.089 1.00 0.44 H new ATOM 0 HE1 PHE A 19 20.834 3.217 -8.275 1.00 0.69 H new ATOM 0 HE2 PHE A 19 19.943 -0.380 -6.167 1.00 0.46 H new ATOM 0 HZ PHE A 19 19.972 0.909 -8.264 1.00 0.42 H new ATOM 288 N ASP A 20 24.555 3.605 -1.609 1.00 0.25 N ATOM 289 CA ASP A 20 25.045 4.407 -0.493 1.00 0.24 C ATOM 290 C ASP A 20 26.029 5.462 -0.991 1.00 0.24 C ATOM 291 O ASP A 20 27.184 5.155 -1.290 1.00 0.29 O ATOM 292 CB ASP A 20 25.714 3.513 0.551 1.00 0.28 C ATOM 293 CG ASP A 20 26.384 4.309 1.652 1.00 0.32 C ATOM 294 OD1 ASP A 20 25.701 4.646 2.642 1.00 0.37 O ATOM 295 OD2 ASP A 20 27.591 4.595 1.524 1.00 0.37 O ATOM 0 H ASP A 20 24.895 2.643 -1.619 1.00 0.25 H new ATOM 0 HA ASP A 20 24.197 4.911 -0.029 1.00 0.24 H new ATOM 0 HB2 ASP A 20 24.968 2.850 0.989 1.00 0.28 H new ATOM 0 HB3 ASP A 20 26.455 2.880 0.062 1.00 0.28 H new ATOM 300 N LYS A 21 25.567 6.706 -1.076 1.00 0.24 N ATOM 301 CA LYS A 21 26.404 7.802 -1.554 1.00 0.30 C ATOM 302 C LYS A 21 27.004 8.606 -0.402 1.00 0.29 C ATOM 303 O LYS A 21 28.217 8.804 -0.338 1.00 0.33 O ATOM 304 CB LYS A 21 25.591 8.723 -2.464 1.00 0.36 C ATOM 305 CG LYS A 21 25.139 8.052 -3.749 1.00 0.90 C ATOM 306 CD LYS A 21 26.292 7.862 -4.724 1.00 1.04 C ATOM 307 CE LYS A 21 26.530 9.108 -5.565 1.00 1.70 C ATOM 308 NZ LYS A 21 26.897 10.286 -4.731 1.00 2.47 N ATOM 0 H LYS A 21 24.618 6.980 -0.820 1.00 0.24 H new ATOM 0 HA LYS A 21 27.229 7.365 -2.117 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.716 9.079 -1.921 1.00 0.36 H new ATOM 0 HB3 LYS A 21 26.190 9.599 -2.711 1.00 0.36 H new ATOM 0 HG2 LYS A 21 24.696 7.083 -3.517 1.00 0.90 H new ATOM 0 HG3 LYS A 21 24.361 8.654 -4.219 1.00 0.90 H new ATOM 0 HD2 LYS A 21 27.199 7.617 -4.171 1.00 1.04 H new ATOM 0 HD3 LYS A 21 26.080 7.017 -5.378 1.00 1.04 H new ATOM 0 HE2 LYS A 21 27.325 8.912 -6.285 1.00 1.70 H new ATOM 0 HE3 LYS A 21 25.631 9.336 -6.137 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 27.355 11.005 -5.327 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 26.039 10.688 -4.301 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 27.554 9.989 -3.981 1.00 2.47 H new ATOM 322 N GLU A 22 26.147 9.069 0.505 1.00 0.27 N ATOM 323 CA GLU A 22 26.589 9.865 1.647 1.00 0.29 C ATOM 324 C GLU A 22 27.654 9.139 2.466 1.00 0.31 C ATOM 325 O GLU A 22 28.492 9.772 3.106 1.00 0.41 O ATOM 326 CB GLU A 22 25.399 10.217 2.543 1.00 0.31 C ATOM 327 CG GLU A 22 24.345 11.065 1.851 1.00 0.35 C ATOM 328 CD GLU A 22 24.902 12.374 1.328 1.00 0.51 C ATOM 329 OE1 GLU A 22 24.923 13.359 2.097 1.00 0.93 O ATOM 330 OE2 GLU A 22 25.317 12.417 0.151 1.00 0.44 O ATOM 0 H GLU A 22 25.141 8.906 0.471 1.00 0.27 H new ATOM 0 HA GLU A 22 27.032 10.780 1.254 1.00 0.29 H new ATOM 0 HB2 GLU A 22 24.937 9.296 2.897 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.762 10.750 3.422 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.916 10.500 1.023 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.535 11.272 2.550 1.00 0.35 H new ATOM 337 N GLY A 23 27.614 7.811 2.443 1.00 0.31 N ATOM 338 CA GLY A 23 28.580 7.030 3.195 1.00 0.34 C ATOM 339 C GLY A 23 28.186 6.876 4.650 1.00 0.34 C ATOM 340 O GLY A 23 28.922 6.290 5.444 1.00 0.39 O ATOM 0 H GLY A 23 26.932 7.262 1.919 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.679 6.044 2.741 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.557 7.509 3.134 1.00 0.34 H new ATOM 344 N THR A 24 27.017 7.407 4.997 1.00 0.34 N ATOM 345 CA THR A 24 26.510 7.333 6.363 1.00 0.38 C ATOM 346 C THR A 24 25.743 6.035 6.590 1.00 0.36 C ATOM 347 O THR A 24 24.787 5.998 7.367 1.00 0.40 O ATOM 348 CB THR A 24 25.581 8.522 6.676 1.00 0.41 C ATOM 349 OG1 THR A 24 24.482 8.537 5.758 1.00 1.23 O ATOM 350 CG2 THR A 24 26.337 9.839 6.586 1.00 1.39 C ATOM 0 H THR A 24 26.401 7.895 4.347 1.00 0.34 H new ATOM 0 HA THR A 24 27.373 7.366 7.028 1.00 0.38 H new ATOM 0 HB THR A 24 25.207 8.404 7.693 1.00 0.41 H new ATOM 0 HG1 THR A 24 23.822 9.201 6.048 1.00 1.23 H new ATOM 0 HG21 THR A 24 25.660 10.663 6.811 1.00 1.39 H new ATOM 0 HG22 THR A 24 27.158 9.837 7.303 1.00 1.39 H new ATOM 0 HG23 THR A 24 26.736 9.962 5.579 1.00 1.39 H new ATOM 358 N GLY A 25 26.167 4.970 5.914 1.00 0.34 N ATOM 359 CA GLY A 25 25.490 3.693 6.048 1.00 0.37 C ATOM 360 C GLY A 25 24.030 3.793 5.654 1.00 0.31 C ATOM 361 O GLY A 25 23.226 2.919 5.976 1.00 0.36 O ATOM 0 H GLY A 25 26.965 4.969 5.278 1.00 0.34 H new ATOM 0 HA2 GLY A 25 25.986 2.950 5.424 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.567 3.346 7.078 1.00 0.37 H new ATOM 365 N LYS A 26 23.701 4.869 4.947 1.00 0.27 N ATOM 366 CA LYS A 26 22.337 5.118 4.503 1.00 0.23 C ATOM 367 C LYS A 26 22.315 5.522 3.030 1.00 0.21 C ATOM 368 O LYS A 26 23.307 6.025 2.504 1.00 0.24 O ATOM 369 CB LYS A 26 21.704 6.213 5.361 1.00 0.25 C ATOM 370 CG LYS A 26 21.473 5.790 6.803 1.00 0.29 C ATOM 371 CD LYS A 26 20.384 6.618 7.465 1.00 0.51 C ATOM 372 CE LYS A 26 20.735 8.095 7.502 1.00 0.89 C ATOM 373 NZ LYS A 26 21.935 8.361 8.343 1.00 1.58 N ATOM 0 H LYS A 26 24.369 5.588 4.668 1.00 0.27 H new ATOM 0 HA LYS A 26 21.761 4.200 4.614 1.00 0.23 H new ATOM 0 HB2 LYS A 26 22.347 7.093 5.347 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.752 6.506 4.919 1.00 0.25 H new ATOM 0 HG2 LYS A 26 21.197 4.736 6.833 1.00 0.29 H new ATOM 0 HG3 LYS A 26 22.401 5.893 7.365 1.00 0.29 H new ATOM 0 HD2 LYS A 26 19.447 6.482 6.926 1.00 0.51 H new ATOM 0 HD3 LYS A 26 20.222 6.258 8.481 1.00 0.51 H new ATOM 0 HE2 LYS A 26 20.917 8.450 6.488 1.00 0.89 H new ATOM 0 HE3 LYS A 26 19.887 8.660 7.890 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 22.052 9.387 8.467 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 21.814 7.911 9.273 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 22.779 7.971 7.877 1.00 1.58 H new ATOM 387 N ILE A 27 21.180 5.301 2.369 1.00 0.19 N ATOM 388 CA ILE A 27 21.050 5.641 0.954 1.00 0.20 C ATOM 389 C ILE A 27 20.028 6.748 0.738 1.00 0.19 C ATOM 390 O ILE A 27 19.022 6.827 1.439 1.00 0.23 O ATOM 391 CB ILE A 27 20.641 4.415 0.112 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.193 4.010 0.404 1.00 0.26 C ATOM 393 CG2 ILE A 27 21.579 3.255 0.390 1.00 0.25 C ATOM 394 CD1 ILE A 27 18.324 3.946 -0.833 1.00 0.54 C ATOM 0 H ILE A 27 20.344 4.892 2.786 1.00 0.19 H new ATOM 0 HA ILE A 27 22.031 5.988 0.629 1.00 0.20 H new ATOM 0 HB ILE A 27 20.712 4.683 -0.942 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.188 3.036 0.893 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.760 4.722 1.107 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.281 2.395 -0.209 1.00 0.25 H new ATOM 0 HG22 ILE A 27 22.599 3.542 0.132 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.532 2.994 1.447 1.00 0.25 H new ATOM 0 HD11 ILE A 27 17.312 3.653 -0.552 1.00 0.54 H new ATOM 0 HD12 ILE A 27 18.299 4.925 -1.311 1.00 0.54 H new ATOM 0 HD13 ILE A 27 18.734 3.213 -1.528 1.00 0.54 H new ATOM 406 N ALA A 28 20.294 7.604 -0.240 1.00 0.23 N ATOM 407 CA ALA A 28 19.394 8.703 -0.546 1.00 0.25 C ATOM 408 C ALA A 28 18.066 8.171 -1.077 1.00 0.25 C ATOM 409 O ALA A 28 18.037 7.224 -1.861 1.00 0.28 O ATOM 410 CB ALA A 28 20.035 9.646 -1.551 1.00 0.31 C ATOM 0 H ALA A 28 21.123 7.557 -0.832 1.00 0.23 H new ATOM 0 HA ALA A 28 19.198 9.259 0.371 1.00 0.25 H new ATOM 0 HB1 ALA A 28 19.349 10.464 -1.771 1.00 0.31 H new ATOM 0 HB2 ALA A 28 20.959 10.048 -1.135 1.00 0.31 H new ATOM 0 HB3 ALA A 28 20.257 9.103 -2.469 1.00 0.31 H new ATOM 416 N THR A 29 16.973 8.782 -0.634 1.00 0.28 N ATOM 417 CA THR A 29 15.635 8.377 -1.053 1.00 0.31 C ATOM 418 C THR A 29 15.474 8.429 -2.567 1.00 0.32 C ATOM 419 O THR A 29 14.634 7.730 -3.133 1.00 0.34 O ATOM 420 CB THR A 29 14.560 9.269 -0.412 1.00 0.39 C ATOM 421 OG1 THR A 29 14.771 10.637 -0.785 1.00 0.40 O ATOM 422 CG2 THR A 29 14.592 9.142 1.101 1.00 0.43 C ATOM 0 H THR A 29 16.987 9.565 0.020 1.00 0.28 H new ATOM 0 HA THR A 29 15.506 7.348 -0.719 1.00 0.31 H new ATOM 0 HB THR A 29 13.584 8.942 -0.771 1.00 0.39 H new ATOM 0 HG1 THR A 29 14.081 11.198 -0.374 1.00 0.40 H new ATOM 0 HG21 THR A 29 13.824 9.781 1.536 1.00 0.43 H new ATOM 0 HG22 THR A 29 14.405 8.106 1.383 1.00 0.43 H new ATOM 0 HG23 THR A 29 15.571 9.448 1.471 1.00 0.43 H new ATOM 430 N ARG A 30 16.279 9.260 -3.219 1.00 0.35 N ATOM 431 CA ARG A 30 16.219 9.396 -4.669 1.00 0.40 C ATOM 432 C ARG A 30 16.814 8.172 -5.358 1.00 0.40 C ATOM 433 O ARG A 30 16.855 8.095 -6.586 1.00 0.52 O ATOM 434 CB ARG A 30 16.954 10.662 -5.121 1.00 0.46 C ATOM 435 CG ARG A 30 16.303 11.952 -4.644 1.00 0.50 C ATOM 436 CD ARG A 30 16.670 12.268 -3.203 1.00 0.73 C ATOM 437 NE ARG A 30 16.088 13.531 -2.757 1.00 1.71 N ATOM 438 CZ ARG A 30 16.293 14.055 -1.553 1.00 2.26 C ATOM 439 NH1 ARG A 30 17.066 13.429 -0.677 1.00 2.04 N ATOM 440 NH2 ARG A 30 15.726 15.208 -1.225 1.00 3.39 N ATOM 0 H ARG A 30 16.979 9.848 -2.768 1.00 0.35 H new ATOM 0 HA ARG A 30 15.170 9.476 -4.955 1.00 0.40 H new ATOM 0 HB2 ARG A 30 17.980 10.626 -4.754 1.00 0.46 H new ATOM 0 HB3 ARG A 30 17.005 10.672 -6.210 1.00 0.46 H new ATOM 0 HG2 ARG A 30 16.613 12.775 -5.287 1.00 0.50 H new ATOM 0 HG3 ARG A 30 15.220 11.868 -4.734 1.00 0.50 H new ATOM 0 HD2 ARG A 30 16.326 11.461 -2.556 1.00 0.73 H new ATOM 0 HD3 ARG A 30 17.755 12.314 -3.106 1.00 0.73 H new ATOM 0 HE ARG A 30 15.490 14.040 -3.407 1.00 1.71 H new ATOM 0 HH11 ARG A 30 17.505 12.543 -0.926 1.00 2.04 H new ATOM 0 HH12 ARG A 30 17.222 13.833 0.246 1.00 2.04 H new ATOM 0 HH21 ARG A 30 15.132 15.694 -1.897 1.00 3.39 H new ATOM 0 HH22 ARG A 30 15.884 15.609 -0.301 1.00 3.39 H new ATOM 454 N GLU A 31 17.275 7.215 -4.556 1.00 0.33 N ATOM 455 CA GLU A 31 17.867 5.990 -5.079 1.00 0.36 C ATOM 456 C GLU A 31 17.065 4.770 -4.637 1.00 0.31 C ATOM 457 O GLU A 31 17.289 3.658 -5.119 1.00 0.33 O ATOM 458 CB GLU A 31 19.308 5.845 -4.597 1.00 0.42 C ATOM 459 CG GLU A 31 19.996 7.166 -4.294 1.00 0.52 C ATOM 460 CD GLU A 31 20.241 7.999 -5.538 1.00 1.10 C ATOM 461 OE1 GLU A 31 21.118 7.623 -6.342 1.00 1.12 O ATOM 462 OE2 GLU A 31 19.549 9.026 -5.709 1.00 2.01 O ATOM 0 H GLU A 31 17.249 7.267 -3.538 1.00 0.33 H new ATOM 0 HA GLU A 31 17.853 6.051 -6.167 1.00 0.36 H new ATOM 0 HB2 GLU A 31 19.319 5.227 -3.699 1.00 0.42 H new ATOM 0 HB3 GLU A 31 19.882 5.314 -5.356 1.00 0.42 H new ATOM 0 HG2 GLU A 31 19.385 7.737 -3.594 1.00 0.52 H new ATOM 0 HG3 GLU A 31 20.948 6.970 -3.800 1.00 0.52 H new ATOM 469 N LEU A 32 16.130 4.988 -3.718 1.00 0.31 N ATOM 470 CA LEU A 32 15.301 3.909 -3.191 1.00 0.33 C ATOM 471 C LEU A 32 14.457 3.262 -4.285 1.00 0.29 C ATOM 472 O LEU A 32 14.452 2.040 -4.426 1.00 0.29 O ATOM 473 CB LEU A 32 14.403 4.441 -2.066 1.00 0.40 C ATOM 474 CG LEU A 32 13.766 3.383 -1.150 1.00 0.57 C ATOM 475 CD1 LEU A 32 12.621 2.680 -1.852 1.00 1.39 C ATOM 476 CD2 LEU A 32 14.803 2.370 -0.681 1.00 1.39 C ATOM 0 H LEU A 32 15.927 5.905 -3.321 1.00 0.31 H new ATOM 0 HA LEU A 32 15.963 3.141 -2.791 1.00 0.33 H new ATOM 0 HB2 LEU A 32 14.992 5.119 -1.449 1.00 0.40 H new ATOM 0 HB3 LEU A 32 13.604 5.031 -2.515 1.00 0.40 H new ATOM 0 HG LEU A 32 13.370 3.897 -0.274 1.00 0.57 H new ATOM 0 HD11 LEU A 32 12.186 1.936 -1.184 1.00 1.39 H new ATOM 0 HD12 LEU A 32 11.860 3.410 -2.127 1.00 1.39 H new ATOM 0 HD13 LEU A 32 12.993 2.188 -2.751 1.00 1.39 H new ATOM 0 HD21 LEU A 32 14.326 1.633 -0.035 1.00 1.39 H new ATOM 0 HD22 LEU A 32 15.237 1.867 -1.545 1.00 1.39 H new ATOM 0 HD23 LEU A 32 15.589 2.884 -0.127 1.00 1.39 H new ATOM 488 N GLY A 33 13.736 4.079 -5.050 1.00 0.33 N ATOM 489 CA GLY A 33 12.902 3.545 -6.114 1.00 0.35 C ATOM 490 C GLY A 33 13.678 2.642 -7.055 1.00 0.33 C ATOM 491 O GLY A 33 13.202 1.567 -7.424 1.00 0.41 O ATOM 0 H GLY A 33 13.714 5.094 -4.953 1.00 0.33 H new ATOM 0 HA2 GLY A 33 12.074 2.986 -5.678 1.00 0.35 H new ATOM 0 HA3 GLY A 33 12.467 4.369 -6.680 1.00 0.35 H new ATOM 495 N THR A 34 14.874 3.078 -7.445 1.00 0.30 N ATOM 496 CA THR A 34 15.719 2.290 -8.332 1.00 0.31 C ATOM 497 C THR A 34 16.059 0.953 -7.683 1.00 0.27 C ATOM 498 O THR A 34 16.296 -0.046 -8.363 1.00 0.30 O ATOM 499 CB THR A 34 17.026 3.032 -8.676 1.00 0.37 C ATOM 500 OG1 THR A 34 16.726 4.327 -9.211 1.00 0.42 O ATOM 501 CG2 THR A 34 17.850 2.245 -9.683 1.00 0.41 C ATOM 0 H THR A 34 15.277 3.971 -7.160 1.00 0.30 H new ATOM 0 HA THR A 34 15.162 2.125 -9.254 1.00 0.31 H new ATOM 0 HB THR A 34 17.607 3.139 -7.760 1.00 0.37 H new ATOM 0 HG1 THR A 34 17.561 4.794 -9.426 1.00 0.42 H new ATOM 0 HG21 THR A 34 18.766 2.790 -9.909 1.00 0.41 H new ATOM 0 HG22 THR A 34 18.101 1.270 -9.265 1.00 0.41 H new ATOM 0 HG23 THR A 34 17.274 2.110 -10.598 1.00 0.41 H new ATOM 509 N LEU A 35 16.076 0.950 -6.356 1.00 0.27 N ATOM 510 CA LEU A 35 16.372 -0.253 -5.591 1.00 0.30 C ATOM 511 C LEU A 35 15.184 -1.204 -5.627 1.00 0.31 C ATOM 512 O LEU A 35 15.342 -2.423 -5.545 1.00 0.37 O ATOM 513 CB LEU A 35 16.683 0.117 -4.140 1.00 0.35 C ATOM 514 CG LEU A 35 17.928 -0.541 -3.542 1.00 0.50 C ATOM 515 CD1 LEU A 35 18.126 -0.078 -2.107 1.00 1.23 C ATOM 516 CD2 LEU A 35 17.819 -2.058 -3.605 1.00 1.25 C ATOM 0 H LEU A 35 15.887 1.774 -5.785 1.00 0.27 H new ATOM 0 HA LEU A 35 17.238 -0.745 -6.034 1.00 0.30 H new ATOM 0 HB2 LEU A 35 16.800 1.199 -4.077 1.00 0.35 H new ATOM 0 HB3 LEU A 35 15.823 -0.147 -3.524 1.00 0.35 H new ATOM 0 HG LEU A 35 18.795 -0.240 -4.129 1.00 0.50 H new ATOM 0 HD11 LEU A 35 19.015 -0.552 -1.691 1.00 1.23 H new ATOM 0 HD12 LEU A 35 18.250 1.005 -2.088 1.00 1.23 H new ATOM 0 HD13 LEU A 35 17.255 -0.354 -1.512 1.00 1.23 H new ATOM 0 HD21 LEU A 35 18.715 -2.505 -3.175 1.00 1.25 H new ATOM 0 HD22 LEU A 35 16.944 -2.384 -3.042 1.00 1.25 H new ATOM 0 HD23 LEU A 35 17.720 -2.373 -4.644 1.00 1.25 H new ATOM 528 N MET A 36 13.993 -0.630 -5.748 1.00 0.35 N ATOM 529 CA MET A 36 12.763 -1.411 -5.784 1.00 0.43 C ATOM 530 C MET A 36 12.573 -2.093 -7.136 1.00 0.43 C ATOM 531 O MET A 36 11.961 -3.157 -7.215 1.00 0.54 O ATOM 532 CB MET A 36 11.558 -0.520 -5.474 1.00 0.56 C ATOM 533 CG MET A 36 11.760 0.383 -4.267 1.00 0.59 C ATOM 534 SD MET A 36 12.417 -0.498 -2.838 1.00 1.21 S ATOM 535 CE MET A 36 10.978 -1.429 -2.321 1.00 0.72 C ATOM 0 H MET A 36 13.853 0.378 -5.823 1.00 0.35 H new ATOM 0 HA MET A 36 12.842 -2.187 -5.023 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.340 0.097 -6.346 1.00 0.56 H new ATOM 0 HB3 MET A 36 10.685 -1.151 -5.303 1.00 0.56 H new ATOM 0 HG2 MET A 36 12.440 1.192 -4.534 1.00 0.59 H new ATOM 0 HG3 MET A 36 10.808 0.842 -3.999 1.00 0.59 H new ATOM 0 HE1 MET A 36 11.265 -2.143 -1.549 1.00 0.72 H new ATOM 0 HE2 MET A 36 10.227 -0.747 -1.924 1.00 0.72 H new ATOM 0 HE3 MET A 36 10.565 -1.965 -3.175 1.00 0.72 H new ATOM 545 N ARG A 37 13.090 -1.481 -8.199 1.00 0.42 N ATOM 546 CA ARG A 37 12.954 -2.057 -9.534 1.00 0.47 C ATOM 547 C ARG A 37 13.961 -3.185 -9.752 1.00 0.43 C ATOM 548 O ARG A 37 13.639 -4.199 -10.372 1.00 0.47 O ATOM 549 CB ARG A 37 13.112 -0.982 -10.616 1.00 0.55 C ATOM 550 CG ARG A 37 14.517 -0.417 -10.731 1.00 0.95 C ATOM 551 CD ARG A 37 14.645 0.515 -11.926 1.00 1.20 C ATOM 552 NE ARG A 37 16.027 0.931 -12.151 1.00 1.99 N ATOM 553 CZ ARG A 37 16.394 1.792 -13.097 1.00 2.52 C ATOM 554 NH1 ARG A 37 15.484 2.330 -13.899 1.00 2.46 N ATOM 555 NH2 ARG A 37 17.671 2.117 -13.241 1.00 3.51 N ATOM 0 H ARG A 37 13.600 -0.598 -8.164 1.00 0.42 H new ATOM 0 HA ARG A 37 11.951 -2.476 -9.611 1.00 0.47 H new ATOM 0 HB2 ARG A 37 12.823 -1.405 -11.578 1.00 0.55 H new ATOM 0 HB3 ARG A 37 12.420 -0.166 -10.406 1.00 0.55 H new ATOM 0 HG2 ARG A 37 14.769 0.123 -9.818 1.00 0.95 H new ATOM 0 HG3 ARG A 37 15.232 -1.234 -10.827 1.00 0.95 H new ATOM 0 HD2 ARG A 37 14.267 0.015 -12.818 1.00 1.20 H new ATOM 0 HD3 ARG A 37 14.023 1.396 -11.767 1.00 1.20 H new ATOM 0 HE ARG A 37 16.752 0.540 -11.549 1.00 1.99 H new ATOM 0 HH11 ARG A 37 14.500 2.084 -13.791 1.00 2.46 H new ATOM 0 HH12 ARG A 37 15.769 2.990 -14.623 1.00 2.46 H new ATOM 0 HH21 ARG A 37 18.374 1.707 -12.626 1.00 3.51 H new ATOM 0 HH22 ARG A 37 17.951 2.777 -13.967 1.00 3.51 H new ATOM 569 N THR A 38 15.180 -3.011 -9.242 1.00 0.39 N ATOM 570 CA THR A 38 16.215 -4.032 -9.386 1.00 0.39 C ATOM 571 C THR A 38 15.903 -5.253 -8.522 1.00 0.36 C ATOM 572 O THR A 38 16.475 -6.326 -8.713 1.00 0.39 O ATOM 573 CB THR A 38 17.610 -3.489 -9.018 1.00 0.40 C ATOM 574 OG1 THR A 38 18.564 -4.559 -8.995 1.00 0.46 O ATOM 575 CG2 THR A 38 17.586 -2.798 -7.665 1.00 0.32 C ATOM 0 H THR A 38 15.473 -2.179 -8.729 1.00 0.39 H new ATOM 0 HA THR A 38 16.224 -4.325 -10.436 1.00 0.39 H new ATOM 0 HB THR A 38 17.899 -2.760 -9.775 1.00 0.40 H new ATOM 0 HG1 THR A 38 18.092 -5.418 -9.006 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.583 -2.424 -7.430 1.00 0.32 H new ATOM 0 HG22 THR A 38 16.884 -1.965 -7.694 1.00 0.32 H new ATOM 0 HG23 THR A 38 17.275 -3.508 -6.899 1.00 0.32 H new ATOM 583 N LEU A 39 14.990 -5.075 -7.573 1.00 0.33 N ATOM 584 CA LEU A 39 14.578 -6.152 -6.676 1.00 0.34 C ATOM 585 C LEU A 39 13.114 -6.506 -6.919 1.00 0.40 C ATOM 586 O LEU A 39 12.342 -5.690 -7.420 1.00 0.43 O ATOM 587 CB LEU A 39 14.775 -5.741 -5.214 1.00 0.32 C ATOM 588 CG LEU A 39 16.142 -6.076 -4.602 1.00 0.44 C ATOM 589 CD1 LEU A 39 17.282 -5.539 -5.453 1.00 1.05 C ATOM 590 CD2 LEU A 39 16.231 -5.523 -3.190 1.00 1.15 C ATOM 0 H LEU A 39 14.517 -4.187 -7.403 1.00 0.33 H new ATOM 0 HA LEU A 39 15.198 -7.025 -6.881 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.617 -4.665 -5.135 1.00 0.32 H new ATOM 0 HB3 LEU A 39 14.002 -6.222 -4.614 1.00 0.32 H new ATOM 0 HG LEU A 39 16.238 -7.161 -4.568 1.00 0.44 H new ATOM 0 HD11 LEU A 39 18.234 -5.795 -4.989 1.00 1.05 H new ATOM 0 HD12 LEU A 39 17.233 -5.981 -6.448 1.00 1.05 H new ATOM 0 HD13 LEU A 39 17.197 -4.455 -5.533 1.00 1.05 H new ATOM 0 HD21 LEU A 39 17.205 -5.766 -2.765 1.00 1.15 H new ATOM 0 HD22 LEU A 39 16.106 -4.440 -3.215 1.00 1.15 H new ATOM 0 HD23 LEU A 39 15.446 -5.965 -2.576 1.00 1.15 H new ATOM 602 N GLY A 40 12.743 -7.735 -6.566 1.00 0.45 N ATOM 603 CA GLY A 40 11.375 -8.188 -6.757 1.00 0.52 C ATOM 604 C GLY A 40 10.358 -7.358 -5.994 1.00 0.49 C ATOM 605 O GLY A 40 9.153 -7.578 -6.121 1.00 0.64 O ATOM 0 H GLY A 40 13.367 -8.426 -6.150 1.00 0.45 H new ATOM 0 HA2 GLY A 40 11.134 -8.159 -7.820 1.00 0.52 H new ATOM 0 HA3 GLY A 40 11.296 -9.228 -6.441 1.00 0.52 H new ATOM 609 N GLN A 41 10.838 -6.406 -5.198 1.00 0.46 N ATOM 610 CA GLN A 41 9.956 -5.542 -4.420 1.00 0.44 C ATOM 611 C GLN A 41 9.181 -4.601 -5.333 1.00 0.48 C ATOM 612 O GLN A 41 9.711 -4.113 -6.330 1.00 1.01 O ATOM 613 CB GLN A 41 10.767 -4.739 -3.399 1.00 0.48 C ATOM 614 CG GLN A 41 11.196 -5.550 -2.187 1.00 0.54 C ATOM 615 CD GLN A 41 11.660 -6.950 -2.549 1.00 1.55 C ATOM 616 OE1 GLN A 41 12.833 -7.167 -2.854 1.00 2.37 O ATOM 617 NE2 GLN A 41 10.740 -7.907 -2.514 1.00 2.20 N ATOM 0 H GLN A 41 11.832 -6.214 -5.075 1.00 0.46 H new ATOM 0 HA GLN A 41 9.242 -6.170 -3.888 1.00 0.44 H new ATOM 0 HB2 GLN A 41 11.654 -4.336 -3.888 1.00 0.48 H new ATOM 0 HB3 GLN A 41 10.173 -3.888 -3.065 1.00 0.48 H new ATOM 0 HG2 GLN A 41 12.002 -5.027 -1.672 1.00 0.54 H new ATOM 0 HG3 GLN A 41 10.363 -5.618 -1.488 1.00 0.54 H new ATOM 0 HE21 GLN A 41 9.779 -7.682 -2.256 1.00 2.20 H new ATOM 0 HE22 GLN A 41 10.994 -8.867 -2.746 1.00 2.20 H new ATOM 626 N ASN A 42 7.922 -4.354 -4.991 1.00 0.52 N ATOM 627 CA ASN A 42 7.077 -3.476 -5.790 1.00 0.53 C ATOM 628 C ASN A 42 6.188 -2.604 -4.903 1.00 0.51 C ATOM 629 O ASN A 42 4.987 -2.847 -4.783 1.00 0.59 O ATOM 630 CB ASN A 42 6.223 -4.305 -6.753 1.00 0.66 C ATOM 631 CG ASN A 42 5.510 -5.451 -6.061 1.00 1.27 C ATOM 632 OD1 ASN A 42 6.078 -6.528 -5.873 1.00 2.15 O ATOM 633 ND2 ASN A 42 4.254 -5.231 -5.688 1.00 1.71 N ATOM 0 H ASN A 42 7.465 -4.748 -4.168 1.00 0.52 H new ATOM 0 HA ASN A 42 7.723 -2.814 -6.367 1.00 0.53 H new ATOM 0 HB2 ASN A 42 5.486 -3.658 -7.229 1.00 0.66 H new ATOM 0 HB3 ASN A 42 6.857 -4.702 -7.546 1.00 0.66 H new ATOM 0 HD21 ASN A 42 3.722 -5.969 -5.227 1.00 1.71 H new ATOM 0 HD22 ASN A 42 3.821 -4.324 -5.863 1.00 1.71 H new ATOM 640 N PRO A 43 6.771 -1.572 -4.266 1.00 0.47 N ATOM 641 CA PRO A 43 6.025 -0.655 -3.396 1.00 0.54 C ATOM 642 C PRO A 43 4.960 0.115 -4.163 1.00 0.54 C ATOM 643 O PRO A 43 5.240 0.677 -5.222 1.00 0.64 O ATOM 644 CB PRO A 43 7.101 0.310 -2.882 1.00 0.53 C ATOM 645 CG PRO A 43 8.190 0.227 -3.895 1.00 0.46 C ATOM 646 CD PRO A 43 8.198 -1.206 -4.340 1.00 0.45 C ATOM 0 HA PRO A 43 5.495 -1.185 -2.605 1.00 0.54 H new ATOM 0 HB2 PRO A 43 6.715 1.326 -2.796 1.00 0.53 H new ATOM 0 HB3 PRO A 43 7.456 0.019 -1.893 1.00 0.53 H new ATOM 0 HG2 PRO A 43 8.002 0.899 -4.732 1.00 0.46 H new ATOM 0 HG3 PRO A 43 9.151 0.512 -3.466 1.00 0.46 H new ATOM 0 HD2 PRO A 43 8.593 -1.315 -5.350 1.00 0.45 H new ATOM 0 HD3 PRO A 43 8.811 -1.829 -3.689 1.00 0.45 H new ATOM 654 N THR A 44 3.740 0.130 -3.633 1.00 0.59 N ATOM 655 CA THR A 44 2.646 0.847 -4.275 1.00 0.65 C ATOM 656 C THR A 44 3.079 2.269 -4.605 1.00 0.57 C ATOM 657 O THR A 44 3.726 2.923 -3.789 1.00 0.51 O ATOM 658 CB THR A 44 1.392 0.892 -3.380 1.00 0.78 C ATOM 659 OG1 THR A 44 1.044 -0.432 -2.958 1.00 1.05 O ATOM 660 CG2 THR A 44 0.218 1.516 -4.120 1.00 1.02 C ATOM 0 H THR A 44 3.486 -0.344 -2.766 1.00 0.59 H new ATOM 0 HA THR A 44 2.394 0.311 -5.190 1.00 0.65 H new ATOM 0 HB THR A 44 1.619 1.505 -2.508 1.00 0.78 H new ATOM 0 HG1 THR A 44 0.247 -0.395 -2.388 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.655 1.536 -3.467 1.00 1.02 H new ATOM 0 HG22 THR A 44 0.474 2.534 -4.416 1.00 1.02 H new ATOM 0 HG23 THR A 44 -0.007 0.926 -5.008 1.00 1.02 H new ATOM 668 N GLU A 45 2.735 2.737 -5.802 1.00 0.61 N ATOM 669 CA GLU A 45 3.114 4.080 -6.235 1.00 0.61 C ATOM 670 C GLU A 45 2.973 5.088 -5.100 1.00 0.60 C ATOM 671 O GLU A 45 3.901 5.846 -4.814 1.00 0.56 O ATOM 672 CB GLU A 45 2.270 4.516 -7.433 1.00 0.75 C ATOM 673 CG GLU A 45 2.767 5.792 -8.091 1.00 1.33 C ATOM 674 CD GLU A 45 2.039 6.103 -9.384 1.00 2.16 C ATOM 675 OE1 GLU A 45 2.429 5.550 -10.434 1.00 2.64 O ATOM 676 OE2 GLU A 45 1.078 6.901 -9.346 1.00 2.69 O ATOM 0 H GLU A 45 2.196 2.208 -6.488 1.00 0.61 H new ATOM 0 HA GLU A 45 4.162 4.048 -6.533 1.00 0.61 H new ATOM 0 HB2 GLU A 45 2.261 3.715 -8.172 1.00 0.75 H new ATOM 0 HB3 GLU A 45 1.240 4.661 -7.108 1.00 0.75 H new ATOM 0 HG2 GLU A 45 2.643 6.625 -7.399 1.00 1.33 H new ATOM 0 HG3 GLU A 45 3.834 5.701 -8.292 1.00 1.33 H new ATOM 683 N ALA A 46 1.816 5.084 -4.448 1.00 0.66 N ATOM 684 CA ALA A 46 1.565 5.997 -3.339 1.00 0.70 C ATOM 685 C ALA A 46 2.560 5.770 -2.208 1.00 0.64 C ATOM 686 O ALA A 46 3.119 6.721 -1.667 1.00 0.66 O ATOM 687 CB ALA A 46 0.144 5.834 -2.828 1.00 0.83 C ATOM 0 H ALA A 46 1.039 4.461 -4.667 1.00 0.66 H new ATOM 0 HA ALA A 46 1.692 7.015 -3.706 1.00 0.70 H new ATOM 0 HB1 ALA A 46 -0.026 6.523 -2.001 1.00 0.83 H new ATOM 0 HB2 ALA A 46 -0.559 6.052 -3.632 1.00 0.83 H new ATOM 0 HB3 ALA A 46 -0.004 4.810 -2.484 1.00 0.83 H new ATOM 693 N GLU A 47 2.776 4.504 -1.859 1.00 0.62 N ATOM 694 CA GLU A 47 3.703 4.151 -0.789 1.00 0.62 C ATOM 695 C GLU A 47 5.088 4.736 -1.044 1.00 0.50 C ATOM 696 O GLU A 47 5.635 5.444 -0.199 1.00 0.48 O ATOM 697 CB GLU A 47 3.807 2.630 -0.650 1.00 0.69 C ATOM 698 CG GLU A 47 4.855 2.184 0.357 1.00 0.75 C ATOM 699 CD GLU A 47 4.864 0.682 0.567 1.00 1.31 C ATOM 700 OE1 GLU A 47 4.118 0.202 1.446 1.00 1.34 O ATOM 701 OE2 GLU A 47 5.617 -0.013 -0.146 1.00 2.23 O ATOM 0 H GLU A 47 2.321 3.706 -2.302 1.00 0.62 H new ATOM 0 HA GLU A 47 3.313 4.572 0.138 1.00 0.62 H new ATOM 0 HB2 GLU A 47 2.836 2.233 -0.353 1.00 0.69 H new ATOM 0 HB3 GLU A 47 4.043 2.199 -1.623 1.00 0.69 H new ATOM 0 HG2 GLU A 47 5.840 2.505 0.017 1.00 0.75 H new ATOM 0 HG3 GLU A 47 4.670 2.679 1.310 1.00 0.75 H new ATOM 708 N LEU A 48 5.649 4.434 -2.211 1.00 0.45 N ATOM 709 CA LEU A 48 6.973 4.925 -2.568 1.00 0.39 C ATOM 710 C LEU A 48 7.029 6.448 -2.501 1.00 0.35 C ATOM 711 O LEU A 48 8.035 7.023 -2.088 1.00 0.34 O ATOM 712 CB LEU A 48 7.356 4.447 -3.966 1.00 0.40 C ATOM 713 CG LEU A 48 8.776 3.890 -4.099 1.00 0.66 C ATOM 714 CD1 LEU A 48 9.041 3.452 -5.529 1.00 1.42 C ATOM 715 CD2 LEU A 48 9.804 4.922 -3.654 1.00 1.39 C ATOM 0 H LEU A 48 5.207 3.853 -2.923 1.00 0.45 H new ATOM 0 HA LEU A 48 7.687 4.525 -1.848 1.00 0.39 H new ATOM 0 HB2 LEU A 48 6.650 3.676 -4.275 1.00 0.40 H new ATOM 0 HB3 LEU A 48 7.243 5.279 -4.661 1.00 0.40 H new ATOM 0 HG LEU A 48 8.866 3.020 -3.449 1.00 0.66 H new ATOM 0 HD11 LEU A 48 10.054 3.058 -5.607 1.00 1.42 H new ATOM 0 HD12 LEU A 48 8.328 2.677 -5.810 1.00 1.42 H new ATOM 0 HD13 LEU A 48 8.931 4.306 -6.197 1.00 1.42 H new ATOM 0 HD21 LEU A 48 10.806 4.505 -3.757 1.00 1.39 H new ATOM 0 HD22 LEU A 48 9.716 5.814 -4.275 1.00 1.39 H new ATOM 0 HD23 LEU A 48 9.626 5.187 -2.612 1.00 1.39 H new ATOM 727 N GLN A 49 5.942 7.095 -2.907 1.00 0.45 N ATOM 728 CA GLN A 49 5.867 8.553 -2.895 1.00 0.52 C ATOM 729 C GLN A 49 5.767 9.090 -1.469 1.00 0.54 C ATOM 730 O GLN A 49 6.267 10.174 -1.168 1.00 0.58 O ATOM 731 CB GLN A 49 4.659 9.023 -3.704 1.00 0.67 C ATOM 732 CG GLN A 49 4.782 8.758 -5.197 1.00 0.70 C ATOM 733 CD GLN A 49 5.959 9.478 -5.825 1.00 0.77 C ATOM 734 OE1 GLN A 49 6.371 10.542 -5.360 1.00 1.21 O ATOM 735 NE2 GLN A 49 6.506 8.901 -6.888 1.00 1.02 N ATOM 0 H GLN A 49 5.099 6.633 -3.249 1.00 0.45 H new ATOM 0 HA GLN A 49 6.782 8.939 -3.345 1.00 0.52 H new ATOM 0 HB2 GLN A 49 3.765 8.525 -3.328 1.00 0.67 H new ATOM 0 HB3 GLN A 49 4.519 10.092 -3.544 1.00 0.67 H new ATOM 0 HG2 GLN A 49 4.886 7.686 -5.364 1.00 0.70 H new ATOM 0 HG3 GLN A 49 3.863 9.070 -5.694 1.00 0.70 H new ATOM 0 HE21 GLN A 49 6.132 8.019 -7.239 1.00 1.02 H new ATOM 0 HE22 GLN A 49 7.300 9.339 -7.354 1.00 1.02 H new ATOM 744 N ASP A 50 5.121 8.324 -0.596 1.00 0.59 N ATOM 745 CA ASP A 50 4.948 8.729 0.795 1.00 0.68 C ATOM 746 C ASP A 50 6.258 8.628 1.568 1.00 0.59 C ATOM 747 O ASP A 50 6.600 9.520 2.346 1.00 0.57 O ATOM 748 CB ASP A 50 3.878 7.870 1.473 1.00 0.88 C ATOM 749 CG ASP A 50 2.473 8.223 1.019 1.00 1.05 C ATOM 750 OD1 ASP A 50 2.060 9.385 1.218 1.00 1.09 O ATOM 751 OD2 ASP A 50 1.787 7.337 0.467 1.00 1.19 O ATOM 0 H ASP A 50 4.709 7.420 -0.827 1.00 0.59 H new ATOM 0 HA ASP A 50 4.627 9.771 0.799 1.00 0.68 H new ATOM 0 HB2 ASP A 50 4.072 6.819 1.259 1.00 0.88 H new ATOM 0 HB3 ASP A 50 3.949 7.994 2.554 1.00 0.88 H new ATOM 756 N LEU A 51 6.993 7.542 1.347 1.00 0.60 N ATOM 757 CA LEU A 51 8.259 7.331 2.033 1.00 0.64 C ATOM 758 C LEU A 51 9.281 8.387 1.618 1.00 0.54 C ATOM 759 O LEU A 51 9.981 8.958 2.464 1.00 0.64 O ATOM 760 CB LEU A 51 8.789 5.916 1.750 1.00 0.76 C ATOM 761 CG LEU A 51 9.714 5.772 0.534 1.00 0.40 C ATOM 762 CD1 LEU A 51 11.163 6.036 0.918 1.00 0.86 C ATOM 763 CD2 LEU A 51 9.579 4.393 -0.076 1.00 0.84 C ATOM 0 H LEU A 51 6.733 6.798 0.700 1.00 0.60 H new ATOM 0 HA LEU A 51 8.092 7.428 3.106 1.00 0.64 H new ATOM 0 HB2 LEU A 51 9.326 5.568 2.632 1.00 0.76 H new ATOM 0 HB3 LEU A 51 7.936 5.251 1.613 1.00 0.76 H new ATOM 0 HG LEU A 51 9.414 6.514 -0.206 1.00 0.40 H new ATOM 0 HD11 LEU A 51 11.798 5.928 0.039 1.00 0.86 H new ATOM 0 HD12 LEU A 51 11.257 7.048 1.311 1.00 0.86 H new ATOM 0 HD13 LEU A 51 11.473 5.321 1.680 1.00 0.86 H new ATOM 0 HD21 LEU A 51 10.242 4.309 -0.937 1.00 0.84 H new ATOM 0 HD22 LEU A 51 9.849 3.640 0.664 1.00 0.84 H new ATOM 0 HD23 LEU A 51 8.549 4.236 -0.395 1.00 0.84 H new ATOM 775 N ILE A 52 9.352 8.659 0.316 1.00 0.44 N ATOM 776 CA ILE A 52 10.296 9.637 -0.189 1.00 0.48 C ATOM 777 C ILE A 52 9.950 11.019 0.325 1.00 0.53 C ATOM 778 O ILE A 52 10.829 11.777 0.695 1.00 0.68 O ATOM 779 CB ILE A 52 10.333 9.693 -1.728 1.00 0.48 C ATOM 780 CG1 ILE A 52 10.756 8.342 -2.306 1.00 0.48 C ATOM 781 CG2 ILE A 52 11.276 10.798 -2.189 1.00 0.67 C ATOM 782 CD1 ILE A 52 10.695 8.285 -3.818 1.00 0.54 C ATOM 0 H ILE A 52 8.771 8.218 -0.397 1.00 0.44 H new ATOM 0 HA ILE A 52 11.277 9.322 0.168 1.00 0.48 H new ATOM 0 HB ILE A 52 9.331 9.917 -2.094 1.00 0.48 H new ATOM 0 HG12 ILE A 52 11.773 8.120 -1.983 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.114 7.563 -1.895 1.00 0.48 H new ATOM 0 HG21 ILE A 52 11.295 10.829 -3.278 1.00 0.67 H new ATOM 0 HG22 ILE A 52 10.928 11.757 -1.805 1.00 0.67 H new ATOM 0 HG23 ILE A 52 12.280 10.599 -1.814 1.00 0.67 H new ATOM 0 HD11 ILE A 52 11.008 7.298 -4.158 1.00 0.54 H new ATOM 0 HD12 ILE A 52 9.674 8.475 -4.148 1.00 0.54 H new ATOM 0 HD13 ILE A 52 11.359 9.041 -4.238 1.00 0.54 H new ATOM 794 N ALA A 53 8.661 11.338 0.332 1.00 0.50 N ATOM 795 CA ALA A 53 8.195 12.641 0.792 1.00 0.60 C ATOM 796 C ALA A 53 8.510 12.861 2.267 1.00 0.64 C ATOM 797 O ALA A 53 8.683 13.997 2.708 1.00 0.73 O ATOM 798 CB ALA A 53 6.702 12.780 0.544 1.00 0.67 C ATOM 0 H ALA A 53 7.918 10.711 0.024 1.00 0.50 H new ATOM 0 HA ALA A 53 8.725 13.405 0.224 1.00 0.60 H new ATOM 0 HB1 ALA A 53 6.365 13.757 0.891 1.00 0.67 H new ATOM 0 HB2 ALA A 53 6.500 12.685 -0.523 1.00 0.67 H new ATOM 0 HB3 ALA A 53 6.169 11.999 1.085 1.00 0.67 H new ATOM 804 N GLU A 54 8.582 11.774 3.027 1.00 0.63 N ATOM 805 CA GLU A 54 8.875 11.863 4.452 1.00 0.72 C ATOM 806 C GLU A 54 10.313 12.320 4.684 1.00 0.66 C ATOM 807 O GLU A 54 10.555 13.317 5.364 1.00 0.72 O ATOM 808 CB GLU A 54 8.639 10.510 5.128 1.00 0.81 C ATOM 809 CG GLU A 54 8.868 10.529 6.631 1.00 1.18 C ATOM 810 CD GLU A 54 7.954 11.505 7.347 1.00 1.71 C ATOM 811 OE1 GLU A 54 6.839 11.100 7.734 1.00 1.82 O ATOM 812 OE2 GLU A 54 8.356 12.675 7.522 1.00 2.45 O ATOM 0 H GLU A 54 8.442 10.825 2.682 1.00 0.63 H new ATOM 0 HA GLU A 54 8.204 12.601 4.891 1.00 0.72 H new ATOM 0 HB2 GLU A 54 7.617 10.188 4.929 1.00 0.81 H new ATOM 0 HB3 GLU A 54 9.300 9.769 4.678 1.00 0.81 H new ATOM 0 HG2 GLU A 54 8.710 9.528 7.032 1.00 1.18 H new ATOM 0 HG3 GLU A 54 9.906 10.793 6.834 1.00 1.18 H new ATOM 819 N ALA A 55 11.262 11.585 4.113 1.00 0.58 N ATOM 820 CA ALA A 55 12.680 11.918 4.255 1.00 0.56 C ATOM 821 C ALA A 55 13.096 13.021 3.280 1.00 0.58 C ATOM 822 O ALA A 55 14.169 13.608 3.415 1.00 0.62 O ATOM 823 CB ALA A 55 13.531 10.676 4.045 1.00 0.56 C ATOM 0 H ALA A 55 11.078 10.756 3.548 1.00 0.58 H new ATOM 0 HA ALA A 55 12.839 12.293 5.266 1.00 0.56 H new ATOM 0 HB1 ALA A 55 14.584 10.934 4.153 1.00 0.56 H new ATOM 0 HB2 ALA A 55 13.264 9.923 4.786 1.00 0.56 H new ATOM 0 HB3 ALA A 55 13.355 10.279 3.045 1.00 0.56 H new ATOM 829 N GLU A 56 12.235 13.294 2.303 1.00 0.59 N ATOM 830 CA GLU A 56 12.501 14.304 1.275 1.00 0.65 C ATOM 831 C GLU A 56 13.063 15.588 1.876 1.00 0.72 C ATOM 832 O GLU A 56 14.134 16.053 1.484 1.00 0.77 O ATOM 833 CB GLU A 56 11.220 14.630 0.505 1.00 0.72 C ATOM 834 CG GLU A 56 11.393 15.733 -0.528 1.00 0.82 C ATOM 835 CD GLU A 56 10.149 15.945 -1.367 1.00 1.52 C ATOM 836 OE1 GLU A 56 9.253 16.694 -0.922 1.00 1.79 O ATOM 837 OE2 GLU A 56 10.070 15.364 -2.470 1.00 2.45 O ATOM 0 H GLU A 56 11.335 12.825 2.199 1.00 0.59 H new ATOM 0 HA GLU A 56 13.245 13.885 0.597 1.00 0.65 H new ATOM 0 HB2 GLU A 56 10.867 13.728 0.005 1.00 0.72 H new ATOM 0 HB3 GLU A 56 10.446 14.925 1.213 1.00 0.72 H new ATOM 0 HG2 GLU A 56 11.648 16.664 -0.021 1.00 0.82 H new ATOM 0 HG3 GLU A 56 12.230 15.486 -1.181 1.00 0.82 H new ATOM 844 N ASN A 57 12.331 16.155 2.827 1.00 0.77 N ATOM 845 CA ASN A 57 12.741 17.394 3.475 1.00 0.88 C ATOM 846 C ASN A 57 13.298 17.130 4.870 1.00 0.82 C ATOM 847 O ASN A 57 12.889 17.764 5.843 1.00 1.21 O ATOM 848 CB ASN A 57 11.553 18.353 3.555 1.00 1.17 C ATOM 849 CG ASN A 57 10.996 18.695 2.186 1.00 1.21 C ATOM 850 OD1 ASN A 57 11.288 19.755 1.633 1.00 1.80 O ATOM 851 ND2 ASN A 57 10.201 17.789 1.626 1.00 1.19 N ATOM 0 H ASN A 57 11.448 15.775 3.167 1.00 0.77 H new ATOM 0 HA ASN A 57 13.533 17.847 2.878 1.00 0.88 H new ATOM 0 HB2 ASN A 57 10.767 17.905 4.163 1.00 1.17 H new ATOM 0 HB3 ASN A 57 11.862 19.269 4.058 1.00 1.17 H new ATOM 0 HD21 ASN A 57 9.806 17.959 0.701 1.00 1.19 H new ATOM 0 HD22 ASN A 57 9.986 16.924 2.121 1.00 1.19 H new ATOM 858 N ASN A 58 14.237 16.191 4.959 1.00 1.05 N ATOM 859 CA ASN A 58 14.851 15.845 6.236 1.00 1.01 C ATOM 860 C ASN A 58 16.032 14.899 6.040 1.00 0.95 C ATOM 861 O ASN A 58 15.963 13.968 5.240 1.00 1.57 O ATOM 862 CB ASN A 58 13.822 15.199 7.165 1.00 1.04 C ATOM 863 CG ASN A 58 14.404 14.853 8.524 1.00 1.42 C ATOM 864 OD1 ASN A 58 15.352 15.661 8.986 1.00 1.82 O flip ATOM 865 ND2 ASN A 58 14.001 13.875 9.153 1.00 1.89 N flip ATOM 0 H ASN A 58 14.588 15.658 4.163 1.00 1.05 H new ATOM 0 HA ASN A 58 15.217 16.766 6.690 1.00 1.01 H new ATOM 0 HB2 ASN A 58 12.979 15.877 7.296 1.00 1.04 H new ATOM 0 HB3 ASN A 58 13.433 14.294 6.698 1.00 1.04 H new ATOM 0 HD21 ASN A 58 13.271 13.281 8.760 1.00 1.89 H new ATOM 0 HD22 ASN A 58 14.397 13.658 10.068 1.00 1.89 H new ATOM 872 N ASN A 59 17.109 15.150 6.783 1.00 0.75 N ATOM 873 CA ASN A 59 18.317 14.327 6.718 1.00 0.73 C ATOM 874 C ASN A 59 18.718 14.014 5.272 1.00 0.84 C ATOM 875 O ASN A 59 19.006 12.868 4.928 1.00 1.76 O ATOM 876 CB ASN A 59 18.125 13.036 7.528 1.00 0.76 C ATOM 877 CG ASN A 59 17.058 12.122 6.961 1.00 0.95 C ATOM 878 OD1 ASN A 59 17.475 11.171 6.139 1.00 1.75 O flip ATOM 879 ND2 ASN A 59 15.874 12.261 7.270 1.00 0.92 N flip ATOM 0 H ASN A 59 17.170 15.925 7.444 1.00 0.75 H new ATOM 0 HA ASN A 59 19.134 14.899 7.159 1.00 0.73 H new ATOM 0 HB2 ASN A 59 19.071 12.497 7.567 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.863 13.295 8.554 1.00 0.76 H new ATOM 0 HD21 ASN A 59 15.598 13.008 7.907 1.00 0.92 H new ATOM 0 HD22 ASN A 59 15.170 11.629 6.889 1.00 0.92 H new ATOM 886 N ASN A 60 18.743 15.058 4.440 1.00 0.57 N ATOM 887 CA ASN A 60 19.112 14.941 3.025 1.00 0.52 C ATOM 888 C ASN A 60 18.448 13.743 2.350 1.00 0.42 C ATOM 889 O ASN A 60 18.957 13.214 1.363 1.00 0.53 O ATOM 890 CB ASN A 60 20.633 14.853 2.860 1.00 0.58 C ATOM 891 CG ASN A 60 21.204 13.499 3.243 1.00 0.93 C ATOM 892 OD1 ASN A 60 21.309 12.602 2.267 1.00 1.99 O flip ATOM 893 ND2 ASN A 60 21.554 13.265 4.401 1.00 0.55 N flip ATOM 0 H ASN A 60 18.508 16.008 4.727 1.00 0.57 H new ATOM 0 HA ASN A 60 18.749 15.844 2.534 1.00 0.52 H new ATOM 0 HB2 ASN A 60 20.892 15.068 1.823 1.00 0.58 H new ATOM 0 HB3 ASN A 60 21.103 15.623 3.472 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.455 13.983 5.119 1.00 0.55 H new ATOM 0 HD22 ASN A 60 21.942 12.353 4.642 1.00 0.55 H new ATOM 900 N GLY A 61 17.301 13.332 2.874 1.00 0.37 N ATOM 901 CA GLY A 61 16.594 12.201 2.313 1.00 0.33 C ATOM 902 C GLY A 61 17.430 10.940 2.331 1.00 0.27 C ATOM 903 O GLY A 61 17.884 10.479 1.292 1.00 0.33 O ATOM 0 H GLY A 61 16.848 13.764 3.679 1.00 0.37 H new ATOM 0 HA2 GLY A 61 15.675 12.034 2.875 1.00 0.33 H new ATOM 0 HA3 GLY A 61 16.304 12.428 1.287 1.00 0.33 H new ATOM 907 N GLN A 62 17.647 10.400 3.522 1.00 0.29 N ATOM 908 CA GLN A 62 18.430 9.178 3.684 1.00 0.25 C ATOM 909 C GLN A 62 17.576 8.049 4.252 1.00 0.29 C ATOM 910 O GLN A 62 16.565 8.289 4.912 1.00 0.42 O ATOM 911 CB GLN A 62 19.627 9.426 4.605 1.00 0.30 C ATOM 912 CG GLN A 62 20.801 10.104 3.923 1.00 0.31 C ATOM 913 CD GLN A 62 21.596 9.150 3.053 1.00 0.32 C ATOM 914 OE1 GLN A 62 21.218 9.052 1.787 1.00 0.38 O flip ATOM 915 NE2 GLN A 62 22.542 8.514 3.515 1.00 0.54 N flip ATOM 0 H GLN A 62 17.291 10.789 4.395 1.00 0.29 H new ATOM 0 HA GLN A 62 18.789 8.883 2.698 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.304 10.040 5.446 1.00 0.30 H new ATOM 0 HB3 GLN A 62 19.960 8.473 5.016 1.00 0.30 H new ATOM 0 HG2 GLN A 62 20.435 10.929 3.312 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.458 10.534 4.679 1.00 0.31 H new ATOM 0 HE21 GLN A 62 22.798 8.621 4.497 1.00 0.54 H new ATOM 0 HE22 GLN A 62 23.071 7.880 2.917 1.00 0.54 H new ATOM 924 N LEU A 63 17.995 6.816 3.987 1.00 0.28 N ATOM 925 CA LEU A 63 17.285 5.638 4.464 1.00 0.37 C ATOM 926 C LEU A 63 18.250 4.680 5.144 1.00 0.27 C ATOM 927 O LEU A 63 19.435 4.654 4.823 1.00 0.23 O ATOM 928 CB LEU A 63 16.589 4.936 3.303 1.00 0.57 C ATOM 929 CG LEU A 63 15.681 5.830 2.464 1.00 0.90 C ATOM 930 CD1 LEU A 63 15.362 5.159 1.144 1.00 1.58 C ATOM 931 CD2 LEU A 63 14.404 6.155 3.224 1.00 1.61 C ATOM 0 H LEU A 63 18.830 6.607 3.440 1.00 0.28 H new ATOM 0 HA LEU A 63 16.534 5.955 5.188 1.00 0.37 H new ATOM 0 HB2 LEU A 63 17.348 4.501 2.653 1.00 0.57 H new ATOM 0 HB3 LEU A 63 15.997 4.111 3.699 1.00 0.57 H new ATOM 0 HG LEU A 63 16.203 6.765 2.260 1.00 0.90 H new ATOM 0 HD11 LEU A 63 14.713 5.807 0.554 1.00 1.58 H new ATOM 0 HD12 LEU A 63 16.286 4.975 0.596 1.00 1.58 H new ATOM 0 HD13 LEU A 63 14.856 4.212 1.330 1.00 1.58 H new ATOM 0 HD21 LEU A 63 13.768 6.793 2.611 1.00 1.61 H new ATOM 0 HD22 LEU A 63 13.874 5.231 3.457 1.00 1.61 H new ATOM 0 HD23 LEU A 63 14.654 6.673 4.150 1.00 1.61 H new ATOM 943 N ASN A 64 17.735 3.866 6.053 1.00 0.31 N ATOM 944 CA ASN A 64 18.569 2.925 6.788 1.00 0.28 C ATOM 945 C ASN A 64 18.233 1.490 6.409 1.00 0.25 C ATOM 946 O ASN A 64 17.137 1.208 5.927 1.00 0.27 O ATOM 947 CB ASN A 64 18.392 3.097 8.298 1.00 0.41 C ATOM 948 CG ASN A 64 18.287 4.547 8.736 1.00 0.53 C ATOM 949 OD1 ASN A 64 17.754 5.393 8.019 1.00 1.34 O ATOM 950 ND2 ASN A 64 18.790 4.836 9.930 1.00 0.95 N ATOM 0 H ASN A 64 16.746 3.837 6.300 1.00 0.31 H new ATOM 0 HA ASN A 64 19.605 3.135 6.522 1.00 0.28 H new ATOM 0 HB2 ASN A 64 17.494 2.565 8.613 1.00 0.41 H new ATOM 0 HB3 ASN A 64 19.235 2.632 8.810 1.00 0.41 H new ATOM 0 HD21 ASN A 64 18.743 5.791 10.286 1.00 0.95 H new ATOM 0 HD22 ASN A 64 19.223 4.103 10.492 1.00 0.95 H new ATOM 957 N PHE A 65 19.191 0.594 6.613 1.00 0.25 N ATOM 958 CA PHE A 65 18.998 -0.816 6.302 1.00 0.26 C ATOM 959 C PHE A 65 17.680 -1.324 6.883 1.00 0.27 C ATOM 960 O PHE A 65 17.011 -2.163 6.281 1.00 0.31 O ATOM 961 CB PHE A 65 20.168 -1.634 6.852 1.00 0.32 C ATOM 962 CG PHE A 65 20.040 -3.113 6.621 1.00 0.30 C ATOM 963 CD1 PHE A 65 20.297 -3.658 5.375 1.00 0.36 C ATOM 964 CD2 PHE A 65 19.663 -3.957 7.653 1.00 0.39 C ATOM 965 CE1 PHE A 65 20.182 -5.018 5.162 1.00 0.44 C ATOM 966 CE2 PHE A 65 19.545 -5.317 7.446 1.00 0.45 C ATOM 967 CZ PHE A 65 19.806 -5.848 6.198 1.00 0.45 C ATOM 0 H PHE A 65 20.110 0.820 6.993 1.00 0.25 H new ATOM 0 HA PHE A 65 18.959 -0.930 5.219 1.00 0.26 H new ATOM 0 HB2 PHE A 65 21.092 -1.283 6.392 1.00 0.32 H new ATOM 0 HB3 PHE A 65 20.255 -1.450 7.923 1.00 0.32 H new ATOM 0 HD1 PHE A 65 20.591 -3.013 4.560 1.00 0.36 H new ATOM 0 HD2 PHE A 65 19.459 -3.546 8.631 1.00 0.39 H new ATOM 0 HE1 PHE A 65 20.386 -5.431 4.185 1.00 0.44 H new ATOM 0 HE2 PHE A 65 19.249 -5.964 8.258 1.00 0.45 H new ATOM 0 HZ PHE A 65 19.716 -6.912 6.033 1.00 0.45 H new ATOM 977 N THR A 66 17.309 -0.801 8.049 1.00 0.28 N ATOM 978 CA THR A 66 16.070 -1.202 8.707 1.00 0.32 C ATOM 979 C THR A 66 14.857 -0.604 8.005 1.00 0.31 C ATOM 980 O THR A 66 13.779 -1.193 8.005 1.00 0.33 O ATOM 981 CB THR A 66 16.039 -0.767 10.180 1.00 0.38 C ATOM 982 OG1 THR A 66 17.356 -0.418 10.620 1.00 0.56 O ATOM 983 CG2 THR A 66 15.483 -1.875 11.059 1.00 0.52 C ATOM 0 H THR A 66 17.848 -0.100 8.556 1.00 0.28 H new ATOM 0 HA THR A 66 16.032 -2.290 8.653 1.00 0.32 H new ATOM 0 HB THR A 66 15.388 0.104 10.263 1.00 0.38 H new ATOM 0 HG1 THR A 66 17.324 -0.141 11.559 1.00 0.56 H new ATOM 0 HG21 THR A 66 15.471 -1.544 12.097 1.00 0.52 H new ATOM 0 HG22 THR A 66 14.468 -2.116 10.743 1.00 0.52 H new ATOM 0 HG23 THR A 66 16.111 -2.761 10.968 1.00 0.52 H new ATOM 991 N GLU A 67 15.033 0.580 7.428 1.00 0.30 N ATOM 992 CA GLU A 67 13.946 1.247 6.721 1.00 0.33 C ATOM 993 C GLU A 67 13.550 0.449 5.484 1.00 0.30 C ATOM 994 O GLU A 67 12.380 0.108 5.301 1.00 0.33 O ATOM 995 CB GLU A 67 14.349 2.672 6.332 1.00 0.36 C ATOM 996 CG GLU A 67 14.710 3.549 7.524 1.00 0.42 C ATOM 997 CD GLU A 67 14.244 4.982 7.355 1.00 0.93 C ATOM 998 OE1 GLU A 67 15.019 5.797 6.811 1.00 1.22 O ATOM 999 OE2 GLU A 67 13.107 5.289 7.767 1.00 1.70 O ATOM 0 H GLU A 67 15.913 1.095 7.436 1.00 0.30 H new ATOM 0 HA GLU A 67 13.086 1.305 7.388 1.00 0.33 H new ATOM 0 HB2 GLU A 67 15.200 2.628 5.653 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.529 3.136 5.785 1.00 0.36 H new ATOM 0 HG2 GLU A 67 14.265 3.130 8.427 1.00 0.42 H new ATOM 0 HG3 GLU A 67 15.791 3.536 7.666 1.00 0.42 H new ATOM 1006 N PHE A 68 14.532 0.148 4.638 1.00 0.27 N ATOM 1007 CA PHE A 68 14.284 -0.627 3.427 1.00 0.26 C ATOM 1008 C PHE A 68 13.812 -2.026 3.794 1.00 0.27 C ATOM 1009 O PHE A 68 12.760 -2.473 3.338 1.00 0.31 O ATOM 1010 CB PHE A 68 15.554 -0.706 2.570 1.00 0.26 C ATOM 1011 CG PHE A 68 15.397 -1.483 1.283 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.156 -1.632 0.676 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.503 -2.055 0.675 1.00 0.35 C ATOM 1014 CE1 PHE A 68 14.027 -2.336 -0.505 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.378 -2.758 -0.508 1.00 0.37 C ATOM 1016 CZ PHE A 68 15.138 -2.898 -1.099 1.00 0.37 C ATOM 0 H PHE A 68 15.504 0.428 4.769 1.00 0.27 H new ATOM 0 HA PHE A 68 13.506 -0.130 2.847 1.00 0.26 H new ATOM 0 HB2 PHE A 68 15.878 0.307 2.330 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.347 -1.164 3.161 1.00 0.26 H new ATOM 0 HD1 PHE A 68 13.282 -1.192 1.133 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.476 -1.950 1.132 1.00 0.35 H new ATOM 0 HE1 PHE A 68 13.056 -2.447 -0.964 1.00 0.44 H new ATOM 0 HE2 PHE A 68 17.250 -3.198 -0.970 1.00 0.37 H new ATOM 0 HZ PHE A 68 15.038 -3.446 -2.024 1.00 0.37 H new ATOM 1026 N CYS A 69 14.593 -2.711 4.623 1.00 0.26 N ATOM 1027 CA CYS A 69 14.245 -4.058 5.053 1.00 0.28 C ATOM 1028 C CYS A 69 12.878 -4.056 5.718 1.00 0.29 C ATOM 1029 O CYS A 69 12.181 -5.068 5.731 1.00 0.34 O ATOM 1030 CB CYS A 69 15.286 -4.607 6.027 1.00 0.27 C ATOM 1031 SG CYS A 69 15.536 -6.389 5.908 1.00 0.49 S ATOM 0 H CYS A 69 15.468 -2.356 5.009 1.00 0.26 H new ATOM 0 HA CYS A 69 14.221 -4.699 4.172 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.237 -4.105 5.848 1.00 0.27 H new ATOM 0 HB3 CYS A 69 14.982 -4.360 7.044 1.00 0.27 H new ATOM 0 HG CYS A 69 16.190 -6.664 4.819 1.00 0.49 H new ATOM 1037 N GLY A 70 12.510 -2.910 6.285 1.00 0.31 N ATOM 1038 CA GLY A 70 11.222 -2.785 6.932 1.00 0.34 C ATOM 1039 C GLY A 70 10.099 -3.006 5.942 1.00 0.35 C ATOM 1040 O GLY A 70 9.238 -3.872 6.131 1.00 0.35 O ATOM 0 H GLY A 70 13.084 -2.067 6.306 1.00 0.31 H new ATOM 0 HA2 GLY A 70 11.146 -3.509 7.743 1.00 0.34 H new ATOM 0 HA3 GLY A 70 11.129 -1.795 7.379 1.00 0.34 H new ATOM 1044 N ILE A 71 10.124 -2.223 4.870 1.00 0.38 N ATOM 1045 CA ILE A 71 9.126 -2.331 3.820 1.00 0.41 C ATOM 1046 C ILE A 71 9.230 -3.679 3.132 1.00 0.41 C ATOM 1047 O ILE A 71 8.224 -4.265 2.731 1.00 0.45 O ATOM 1048 CB ILE A 71 9.296 -1.227 2.765 1.00 0.43 C ATOM 1049 CG1 ILE A 71 9.069 0.147 3.399 1.00 0.46 C ATOM 1050 CG2 ILE A 71 8.342 -1.463 1.600 1.00 0.47 C ATOM 1051 CD1 ILE A 71 9.312 1.304 2.453 1.00 0.49 C ATOM 0 H ILE A 71 10.829 -1.504 4.707 1.00 0.38 H new ATOM 0 HA ILE A 71 8.149 -2.223 4.291 1.00 0.41 H new ATOM 0 HB ILE A 71 10.314 -1.255 2.378 1.00 0.43 H new ATOM 0 HG12 ILE A 71 8.045 0.201 3.769 1.00 0.46 H new ATOM 0 HG13 ILE A 71 9.726 0.252 4.262 1.00 0.46 H new ATOM 0 HG21 ILE A 71 8.471 -0.675 0.858 1.00 0.47 H new ATOM 0 HG22 ILE A 71 8.557 -2.429 1.144 1.00 0.47 H new ATOM 0 HG23 ILE A 71 7.314 -1.454 1.964 1.00 0.47 H new ATOM 0 HD11 ILE A 71 9.131 2.244 2.974 1.00 0.49 H new ATOM 0 HD12 ILE A 71 10.344 1.276 2.102 1.00 0.49 H new ATOM 0 HD13 ILE A 71 8.637 1.225 1.601 1.00 0.49 H new ATOM 1063 N MET A 72 10.456 -4.166 3.003 1.00 0.39 N ATOM 1064 CA MET A 72 10.695 -5.441 2.363 1.00 0.41 C ATOM 1065 C MET A 72 9.962 -6.510 3.133 1.00 0.42 C ATOM 1066 O MET A 72 9.278 -7.345 2.558 1.00 0.50 O ATOM 1067 CB MET A 72 12.187 -5.761 2.318 1.00 0.41 C ATOM 1068 CG MET A 72 12.967 -4.894 1.348 1.00 0.45 C ATOM 1069 SD MET A 72 14.492 -5.679 0.798 1.00 0.78 S ATOM 1070 CE MET A 72 13.854 -7.197 0.092 1.00 0.36 C ATOM 0 H MET A 72 11.297 -3.694 3.335 1.00 0.39 H new ATOM 0 HA MET A 72 10.333 -5.400 1.336 1.00 0.41 H new ATOM 0 HB2 MET A 72 12.606 -5.640 3.317 1.00 0.41 H new ATOM 0 HB3 MET A 72 12.317 -6.807 2.042 1.00 0.41 H new ATOM 0 HG2 MET A 72 12.344 -4.671 0.482 1.00 0.45 H new ATOM 0 HG3 MET A 72 13.203 -3.942 1.824 1.00 0.45 H new ATOM 0 HE1 MET A 72 14.060 -8.027 0.768 1.00 0.36 H new ATOM 0 HE2 MET A 72 12.778 -7.106 -0.054 1.00 0.36 H new ATOM 0 HE3 MET A 72 14.336 -7.383 -0.868 1.00 0.36 H new ATOM 1080 N ALA A 73 10.119 -6.457 4.446 1.00 0.41 N ATOM 1081 CA ALA A 73 9.462 -7.382 5.345 1.00 0.44 C ATOM 1082 C ALA A 73 7.976 -7.448 5.025 1.00 0.45 C ATOM 1083 O ALA A 73 7.389 -8.529 4.956 1.00 0.51 O ATOM 1084 CB ALA A 73 9.689 -6.926 6.772 1.00 0.46 C ATOM 0 H ALA A 73 10.707 -5.769 4.916 1.00 0.41 H new ATOM 0 HA ALA A 73 9.878 -8.382 5.222 1.00 0.44 H new ATOM 0 HB1 ALA A 73 9.198 -7.617 7.457 1.00 0.46 H new ATOM 0 HB2 ALA A 73 10.758 -6.906 6.982 1.00 0.46 H new ATOM 0 HB3 ALA A 73 9.274 -5.927 6.905 1.00 0.46 H new ATOM 1090 N LYS A 74 7.373 -6.277 4.829 1.00 0.42 N ATOM 1091 CA LYS A 74 5.957 -6.199 4.489 1.00 0.46 C ATOM 1092 C LYS A 74 5.694 -6.965 3.200 1.00 0.47 C ATOM 1093 O LYS A 74 4.848 -7.859 3.155 1.00 0.57 O ATOM 1094 CB LYS A 74 5.513 -4.744 4.322 1.00 0.50 C ATOM 1095 CG LYS A 74 6.209 -3.780 5.260 1.00 1.17 C ATOM 1096 CD LYS A 74 5.577 -2.403 5.216 1.00 1.08 C ATOM 1097 CE LYS A 74 6.204 -1.468 6.239 1.00 1.83 C ATOM 1098 NZ LYS A 74 6.036 -1.973 7.629 1.00 2.52 N ATOM 0 H LYS A 74 7.842 -5.374 4.900 1.00 0.42 H new ATOM 0 HA LYS A 74 5.384 -6.643 5.303 1.00 0.46 H new ATOM 0 HB2 LYS A 74 5.698 -4.433 3.294 1.00 0.50 H new ATOM 0 HB3 LYS A 74 4.437 -4.681 4.485 1.00 0.50 H new ATOM 0 HG2 LYS A 74 6.167 -4.168 6.278 1.00 1.17 H new ATOM 0 HG3 LYS A 74 7.263 -3.706 4.990 1.00 1.17 H new ATOM 0 HD2 LYS A 74 5.692 -1.981 4.218 1.00 1.08 H new ATOM 0 HD3 LYS A 74 4.507 -2.487 5.406 1.00 1.08 H new ATOM 0 HE2 LYS A 74 7.266 -1.351 6.021 1.00 1.83 H new ATOM 0 HE3 LYS A 74 5.750 -0.480 6.154 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 6.191 -1.195 8.302 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 5.073 -2.347 7.748 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 6.726 -2.730 7.809 1.00 2.52 H new ATOM 1112 N GLN A 75 6.429 -6.605 2.148 1.00 0.45 N ATOM 1113 CA GLN A 75 6.286 -7.266 0.852 1.00 0.50 C ATOM 1114 C GLN A 75 6.535 -8.773 0.962 1.00 0.52 C ATOM 1115 O GLN A 75 5.952 -9.560 0.217 1.00 0.67 O ATOM 1116 CB GLN A 75 7.244 -6.660 -0.176 1.00 0.50 C ATOM 1117 CG GLN A 75 6.633 -5.525 -0.981 1.00 0.76 C ATOM 1118 CD GLN A 75 7.061 -4.159 -0.486 1.00 0.66 C ATOM 1119 OE1 GLN A 75 6.421 -3.570 0.385 1.00 1.60 O ATOM 1120 NE2 GLN A 75 8.151 -3.648 -1.045 1.00 0.86 N ATOM 0 H GLN A 75 7.127 -5.862 2.168 1.00 0.45 H new ATOM 0 HA GLN A 75 5.260 -7.109 0.520 1.00 0.50 H new ATOM 0 HB2 GLN A 75 8.131 -6.292 0.339 1.00 0.50 H new ATOM 0 HB3 GLN A 75 7.573 -7.443 -0.859 1.00 0.50 H new ATOM 0 HG2 GLN A 75 6.918 -5.633 -2.027 1.00 0.76 H new ATOM 0 HG3 GLN A 75 5.546 -5.598 -0.937 1.00 0.76 H new ATOM 0 HE21 GLN A 75 8.649 -4.173 -1.764 1.00 0.86 H new ATOM 0 HE22 GLN A 75 8.490 -2.731 -0.756 1.00 0.86 H new ATOM 1129 N MET A 76 7.401 -9.166 1.893 1.00 0.55 N ATOM 1130 CA MET A 76 7.726 -10.574 2.096 1.00 0.66 C ATOM 1131 C MET A 76 6.483 -11.349 2.513 1.00 0.71 C ATOM 1132 O MET A 76 6.256 -12.472 2.061 1.00 0.83 O ATOM 1133 CB MET A 76 8.817 -10.721 3.163 1.00 0.87 C ATOM 1134 CG MET A 76 10.151 -10.093 2.784 1.00 1.02 C ATOM 1135 SD MET A 76 11.369 -11.304 2.237 1.00 1.03 S ATOM 1136 CE MET A 76 12.814 -10.263 2.046 1.00 0.64 C ATOM 0 H MET A 76 7.891 -8.527 2.519 1.00 0.55 H new ATOM 0 HA MET A 76 8.097 -10.982 1.156 1.00 0.66 H new ATOM 0 HB2 MET A 76 8.466 -10.268 4.090 1.00 0.87 H new ATOM 0 HB3 MET A 76 8.972 -11.781 3.364 1.00 0.87 H new ATOM 0 HG2 MET A 76 9.990 -9.363 1.990 1.00 1.02 H new ATOM 0 HG3 MET A 76 10.547 -9.549 3.642 1.00 1.02 H new ATOM 0 HE1 MET A 76 13.711 -10.840 2.274 1.00 0.64 H new ATOM 0 HE2 MET A 76 12.867 -9.899 1.020 1.00 0.64 H new ATOM 0 HE3 MET A 76 12.745 -9.416 2.728 1.00 0.64 H new ATOM 1240 N GLU A 83 -6.996 -7.154 -0.325 1.00 7.37 N ATOM 1241 CA GLU A 83 -8.410 -6.874 -0.543 1.00 8.31 C ATOM 1242 C GLU A 83 -9.158 -8.147 -0.933 1.00 8.90 C ATOM 1243 O GLU A 83 -10.203 -8.465 -0.364 1.00 9.79 O ATOM 1244 CB GLU A 83 -8.589 -5.814 -1.635 1.00 8.42 C ATOM 1245 CG GLU A 83 -8.004 -4.456 -1.278 1.00 8.14 C ATOM 1246 CD GLU A 83 -6.488 -4.445 -1.306 1.00 8.51 C ATOM 1247 OE1 GLU A 83 -5.914 -4.587 -2.406 1.00 9.06 O ATOM 1248 OE2 GLU A 83 -5.876 -4.288 -0.230 1.00 8.45 O ATOM 0 HA GLU A 83 -8.824 -6.493 0.390 1.00 8.31 H new ATOM 0 HB2 GLU A 83 -8.122 -6.170 -2.553 1.00 8.42 H new ATOM 0 HB3 GLU A 83 -9.653 -5.697 -1.843 1.00 8.42 H new ATOM 0 HG2 GLU A 83 -8.381 -3.708 -1.975 1.00 8.14 H new ATOM 0 HG3 GLU A 83 -8.347 -4.167 -0.284 1.00 8.14 H new ATOM 1255 N GLU A 84 -8.610 -8.873 -1.902 1.00 8.58 N ATOM 1256 CA GLU A 84 -9.220 -10.112 -2.376 1.00 9.37 C ATOM 1257 C GLU A 84 -9.061 -11.231 -1.352 1.00 9.77 C ATOM 1258 O GLU A 84 -9.917 -12.107 -1.239 1.00 10.65 O ATOM 1259 CB GLU A 84 -8.594 -10.535 -3.703 1.00 9.24 C ATOM 1260 CG GLU A 84 -8.870 -9.570 -4.845 1.00 9.88 C ATOM 1261 CD GLU A 84 -8.261 -10.030 -6.155 1.00 10.30 C ATOM 1262 OE1 GLU A 84 -7.050 -9.803 -6.359 1.00 10.41 O ATOM 1263 OE2 GLU A 84 -8.995 -10.617 -6.978 1.00 10.72 O ATOM 0 H GLU A 84 -7.742 -8.624 -2.376 1.00 8.58 H new ATOM 0 HA GLU A 84 -10.284 -9.927 -2.521 1.00 9.37 H new ATOM 0 HB2 GLU A 84 -7.516 -10.630 -3.572 1.00 9.24 H new ATOM 0 HB3 GLU A 84 -8.970 -11.521 -3.974 1.00 9.24 H new ATOM 0 HG2 GLU A 84 -9.947 -9.457 -4.969 1.00 9.88 H new ATOM 0 HG3 GLU A 84 -8.474 -8.587 -4.589 1.00 9.88 H new ATOM 1270 N MET A 85 -7.959 -11.196 -0.612 1.00 9.28 N ATOM 1271 CA MET A 85 -7.686 -12.210 0.400 1.00 9.90 C ATOM 1272 C MET A 85 -8.711 -12.138 1.525 1.00 10.59 C ATOM 1273 O MET A 85 -9.291 -13.151 1.913 1.00 11.45 O ATOM 1274 CB MET A 85 -6.275 -12.033 0.963 1.00 9.48 C ATOM 1275 CG MET A 85 -5.198 -11.976 -0.108 1.00 8.93 C ATOM 1276 SD MET A 85 -3.563 -11.626 0.566 1.00 8.96 S ATOM 1277 CE MET A 85 -3.334 -13.031 1.653 1.00 9.60 C ATOM 0 H MET A 85 -7.240 -10.477 -0.694 1.00 9.28 H new ATOM 0 HA MET A 85 -7.758 -13.190 -0.071 1.00 9.90 H new ATOM 0 HB2 MET A 85 -6.240 -11.116 1.552 1.00 9.48 H new ATOM 0 HB3 MET A 85 -6.057 -12.857 1.642 1.00 9.48 H new ATOM 0 HG2 MET A 85 -5.171 -12.927 -0.641 1.00 8.93 H new ATOM 0 HG3 MET A 85 -5.457 -11.209 -0.838 1.00 8.93 H new ATOM 0 HE1 MET A 85 -2.278 -13.126 1.907 1.00 9.60 H new ATOM 0 HE2 MET A 85 -3.915 -12.885 2.564 1.00 9.60 H new ATOM 0 HE3 MET A 85 -3.670 -13.938 1.151 1.00 9.60 H new ATOM 1287 N ARG A 86 -8.932 -10.934 2.044 1.00 10.35 N ATOM 1288 CA ARG A 86 -9.894 -10.737 3.120 1.00 11.19 C ATOM 1289 C ARG A 86 -11.286 -11.156 2.665 1.00 11.96 C ATOM 1290 O ARG A 86 -12.015 -11.825 3.398 1.00 12.88 O ATOM 1291 CB ARG A 86 -9.909 -9.274 3.571 1.00 10.99 C ATOM 1292 CG ARG A 86 -10.464 -9.079 4.972 1.00 11.99 C ATOM 1293 CD ARG A 86 -10.701 -7.609 5.274 1.00 12.13 C ATOM 1294 NE ARG A 86 -11.308 -7.411 6.587 1.00 12.84 N ATOM 1295 CZ ARG A 86 -11.488 -6.218 7.148 1.00 13.32 C ATOM 1296 NH1 ARG A 86 -11.111 -5.117 6.511 1.00 13.18 N ATOM 1297 NH2 ARG A 86 -12.048 -6.124 8.346 1.00 14.09 N ATOM 0 H ARG A 86 -8.459 -10.084 1.737 1.00 10.35 H new ATOM 0 HA ARG A 86 -9.595 -11.357 3.965 1.00 11.19 H new ATOM 0 HB2 ARG A 86 -8.894 -8.879 3.532 1.00 10.99 H new ATOM 0 HB3 ARG A 86 -10.504 -8.691 2.868 1.00 10.99 H new ATOM 0 HG2 ARG A 86 -11.400 -9.629 5.074 1.00 11.99 H new ATOM 0 HG3 ARG A 86 -9.769 -9.495 5.702 1.00 11.99 H new ATOM 0 HD2 ARG A 86 -9.753 -7.072 5.228 1.00 12.13 H new ATOM 0 HD3 ARG A 86 -11.347 -7.181 4.508 1.00 12.13 H new ATOM 0 HE ARG A 86 -11.612 -8.236 7.105 1.00 12.84 H new ATOM 0 HH11 ARG A 86 -10.682 -5.183 5.588 1.00 13.18 H new ATOM 0 HH12 ARG A 86 -11.251 -4.204 6.944 1.00 13.18 H new ATOM 0 HH21 ARG A 86 -12.342 -6.967 8.839 1.00 14.09 H new ATOM 0 HH22 ARG A 86 -12.185 -5.209 8.774 1.00 14.09 H new ATOM 1311 N GLU A 87 -11.649 -10.759 1.447 1.00 11.71 N ATOM 1312 CA GLU A 87 -12.951 -11.110 0.895 1.00 12.58 C ATOM 1313 C GLU A 87 -13.091 -12.624 0.806 1.00 13.20 C ATOM 1314 O GLU A 87 -14.147 -13.178 1.106 1.00 14.14 O ATOM 1315 CB GLU A 87 -13.138 -10.486 -0.489 1.00 12.36 C ATOM 1316 CG GLU A 87 -13.260 -8.971 -0.462 1.00 12.89 C ATOM 1317 CD GLU A 87 -13.389 -8.372 -1.848 1.00 13.23 C ATOM 1318 OE1 GLU A 87 -14.532 -8.248 -2.336 1.00 13.47 O ATOM 1319 OE2 GLU A 87 -12.348 -8.027 -2.445 1.00 13.40 O ATOM 0 H GLU A 87 -11.063 -10.198 0.829 1.00 11.71 H new ATOM 0 HA GLU A 87 -13.722 -10.718 1.558 1.00 12.58 H new ATOM 0 HB2 GLU A 87 -12.294 -10.763 -1.120 1.00 12.36 H new ATOM 0 HB3 GLU A 87 -14.032 -10.906 -0.950 1.00 12.36 H new ATOM 0 HG2 GLU A 87 -14.129 -8.691 0.133 1.00 12.89 H new ATOM 0 HG3 GLU A 87 -12.385 -8.548 0.032 1.00 12.89 H new ATOM 1326 N ALA A 88 -12.013 -13.287 0.394 1.00 12.78 N ATOM 1327 CA ALA A 88 -12.006 -14.738 0.279 1.00 13.49 C ATOM 1328 C ALA A 88 -12.227 -15.375 1.643 1.00 14.13 C ATOM 1329 O ALA A 88 -12.873 -16.416 1.759 1.00 15.06 O ATOM 1330 CB ALA A 88 -10.697 -15.217 -0.331 1.00 13.06 C ATOM 0 H ALA A 88 -11.134 -12.840 0.135 1.00 12.78 H new ATOM 0 HA ALA A 88 -12.820 -15.040 -0.380 1.00 13.49 H new ATOM 0 HB1 ALA A 88 -10.709 -16.304 -0.410 1.00 13.06 H new ATOM 0 HB2 ALA A 88 -10.578 -14.783 -1.324 1.00 13.06 H new ATOM 0 HB3 ALA A 88 -9.866 -14.908 0.303 1.00 13.06 H new ATOM 1336 N PHE A 89 -11.684 -14.736 2.676 1.00 13.73 N ATOM 1337 CA PHE A 89 -11.829 -15.224 4.041 1.00 14.46 C ATOM 1338 C PHE A 89 -13.296 -15.209 4.449 1.00 15.32 C ATOM 1339 O PHE A 89 -13.761 -16.082 5.181 1.00 16.24 O ATOM 1340 CB PHE A 89 -10.999 -14.361 5.000 1.00 14.00 C ATOM 1341 CG PHE A 89 -11.401 -14.494 6.442 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -11.009 -15.594 7.186 1.00 15.46 C ATOM 1343 CD2 PHE A 89 -12.173 -13.517 7.051 1.00 15.30 C ATOM 1344 CE1 PHE A 89 -11.380 -15.718 8.512 1.00 16.38 C ATOM 1345 CE2 PHE A 89 -12.547 -13.636 8.375 1.00 16.22 C ATOM 1346 CZ PHE A 89 -12.150 -14.737 9.107 1.00 16.75 C ATOM 0 H PHE A 89 -11.139 -13.878 2.592 1.00 13.73 H new ATOM 0 HA PHE A 89 -11.464 -16.250 4.091 1.00 14.46 H new ATOM 0 HB2 PHE A 89 -9.948 -14.632 4.900 1.00 14.00 H new ATOM 0 HB3 PHE A 89 -11.089 -13.316 4.703 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -10.407 -16.363 6.726 1.00 15.46 H new ATOM 0 HD2 PHE A 89 -12.486 -12.653 6.484 1.00 15.30 H new ATOM 0 HE1 PHE A 89 -11.068 -16.581 9.082 1.00 16.38 H new ATOM 0 HE2 PHE A 89 -13.150 -12.868 8.837 1.00 16.22 H new ATOM 0 HZ PHE A 89 -12.441 -14.831 10.143 1.00 16.75 H new ATOM 1356 N LYS A 90 -14.018 -14.205 3.963 1.00 15.11 N ATOM 1357 CA LYS A 90 -15.439 -14.065 4.263 1.00 16.01 C ATOM 1358 C LYS A 90 -16.254 -15.120 3.523 1.00 16.75 C ATOM 1359 O LYS A 90 -17.210 -15.672 4.067 1.00 17.70 O ATOM 1360 CB LYS A 90 -15.928 -12.669 3.881 1.00 15.74 C ATOM 1361 CG LYS A 90 -15.110 -11.545 4.496 1.00 15.19 C ATOM 1362 CD LYS A 90 -15.838 -10.212 4.417 1.00 15.14 C ATOM 1363 CE LYS A 90 -16.032 -9.760 2.977 1.00 14.45 C ATOM 1364 NZ LYS A 90 -16.812 -8.494 2.895 1.00 14.90 N ATOM 0 H LYS A 90 -13.642 -13.475 3.358 1.00 15.11 H new ATOM 0 HA LYS A 90 -15.575 -14.208 5.335 1.00 16.01 H new ATOM 0 HB2 LYS A 90 -15.906 -12.570 2.796 1.00 15.74 H new ATOM 0 HB3 LYS A 90 -16.968 -12.561 4.190 1.00 15.74 H new ATOM 0 HG2 LYS A 90 -14.894 -11.780 5.538 1.00 15.19 H new ATOM 0 HG3 LYS A 90 -14.152 -11.468 3.981 1.00 15.19 H new ATOM 0 HD2 LYS A 90 -16.809 -10.298 4.905 1.00 15.14 H new ATOM 0 HD3 LYS A 90 -15.273 -9.456 4.963 1.00 15.14 H new ATOM 0 HE2 LYS A 90 -15.059 -9.619 2.506 1.00 14.45 H new ATOM 0 HE3 LYS A 90 -16.547 -10.541 2.417 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 -16.923 -8.219 1.898 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 -17.750 -8.636 3.322 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 -16.309 -7.742 3.408 1.00 14.90 H new ATOM 1378 N ILE A 91 -15.873 -15.389 2.279 1.00 16.40 N ATOM 1379 CA ILE A 91 -16.567 -16.380 1.463 1.00 17.17 C ATOM 1380 C ILE A 91 -16.591 -17.739 2.156 1.00 17.84 C ATOM 1381 O ILE A 91 -17.623 -18.410 2.187 1.00 18.78 O ATOM 1382 CB ILE A 91 -15.910 -16.528 0.075 1.00 16.77 C ATOM 1383 CG1 ILE A 91 -15.906 -15.182 -0.656 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -16.640 -17.581 -0.747 1.00 17.75 C ATOM 1385 CD1 ILE A 91 -15.133 -15.200 -1.958 1.00 16.20 C ATOM 0 H ILE A 91 -15.087 -14.935 1.813 1.00 16.40 H new ATOM 0 HA ILE A 91 -17.589 -16.025 1.332 1.00 17.17 H new ATOM 0 HB ILE A 91 -14.878 -16.852 0.209 1.00 16.77 H new ATOM 0 HG12 ILE A 91 -16.935 -14.885 -0.859 1.00 16.16 H new ATOM 0 HG13 ILE A 91 -15.479 -14.423 -0.000 1.00 16.16 H new ATOM 0 HG21 ILE A 91 -16.165 -17.674 -1.724 1.00 17.75 H new ATOM 0 HG22 ILE A 91 -16.598 -18.540 -0.230 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -17.681 -17.284 -0.877 1.00 17.75 H new ATOM 0 HD11 ILE A 91 -15.174 -14.213 -2.419 1.00 16.20 H new ATOM 0 HD12 ILE A 91 -14.094 -15.465 -1.761 1.00 16.20 H new ATOM 0 HD13 ILE A 91 -15.573 -15.934 -2.632 1.00 16.20 H new ATOM 1397 N PHE A 92 -15.451 -18.141 2.711 1.00 17.43 N ATOM 1398 CA PHE A 92 -15.353 -19.420 3.405 1.00 18.14 C ATOM 1399 C PHE A 92 -15.980 -19.336 4.795 1.00 18.80 C ATOM 1400 O PHE A 92 -16.238 -20.356 5.432 1.00 19.63 O ATOM 1401 CB PHE A 92 -13.893 -19.877 3.495 1.00 17.63 C ATOM 1402 CG PHE A 92 -13.339 -20.343 2.176 1.00 17.41 C ATOM 1403 CD1 PHE A 92 -13.864 -21.464 1.546 1.00 17.12 C ATOM 1404 CD2 PHE A 92 -12.307 -19.656 1.558 1.00 17.64 C ATOM 1405 CE1 PHE A 92 -13.370 -21.889 0.329 1.00 17.07 C ATOM 1406 CE2 PHE A 92 -11.808 -20.076 0.338 1.00 17.60 C ATOM 1407 CZ PHE A 92 -12.342 -21.193 -0.278 1.00 17.34 C ATOM 0 H PHE A 92 -14.586 -17.601 2.694 1.00 17.43 H new ATOM 0 HA PHE A 92 -15.908 -20.160 2.829 1.00 18.14 H new ATOM 0 HB2 PHE A 92 -13.283 -19.054 3.868 1.00 17.63 H new ATOM 0 HB3 PHE A 92 -13.816 -20.686 4.221 1.00 17.63 H new ATOM 0 HD1 PHE A 92 -14.669 -22.010 2.014 1.00 17.12 H new ATOM 0 HD2 PHE A 92 -11.887 -18.782 2.034 1.00 17.64 H new ATOM 0 HE1 PHE A 92 -13.786 -22.764 -0.148 1.00 17.07 H new ATOM 0 HE2 PHE A 92 -11.002 -19.532 -0.133 1.00 17.60 H new ATOM 0 HZ PHE A 92 -11.956 -21.521 -1.232 1.00 17.34 H new ATOM 1417 N ASP A 93 -16.224 -18.110 5.258 1.00 18.51 N ATOM 1418 CA ASP A 93 -16.834 -17.891 6.567 1.00 19.23 C ATOM 1419 C ASP A 93 -18.303 -17.507 6.417 1.00 19.92 C ATOM 1420 O ASP A 93 -18.629 -16.346 6.167 1.00 19.65 O ATOM 1421 CB ASP A 93 -16.086 -16.796 7.330 1.00 18.69 C ATOM 1422 CG ASP A 93 -16.588 -16.634 8.753 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -17.044 -17.638 9.343 1.00 20.02 O ATOM 1424 OD2 ASP A 93 -16.521 -15.504 9.280 1.00 19.89 O ATOM 0 H ASP A 93 -16.008 -17.255 4.746 1.00 18.51 H new ATOM 0 HA ASP A 93 -16.770 -18.821 7.131 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -15.022 -17.032 7.348 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -16.194 -15.850 6.800 1.00 18.69 H new ATOM 1429 N ARG A 94 -19.187 -18.486 6.579 1.00 20.90 N ATOM 1430 CA ARG A 94 -20.621 -18.252 6.449 1.00 21.70 C ATOM 1431 C ARG A 94 -21.177 -17.486 7.646 1.00 22.13 C ATOM 1432 O ARG A 94 -22.370 -17.186 7.699 1.00 22.63 O ATOM 1433 CB ARG A 94 -21.359 -19.578 6.283 1.00 22.67 C ATOM 1434 CG ARG A 94 -21.023 -20.294 4.987 1.00 22.53 C ATOM 1435 CD ARG A 94 -20.531 -21.706 5.245 1.00 22.13 C ATOM 1436 NE ARG A 94 -21.567 -22.547 5.840 1.00 22.41 N ATOM 1437 CZ ARG A 94 -22.477 -23.207 5.128 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -22.489 -23.111 3.805 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -23.380 -23.962 5.741 1.00 23.01 N ATOM 0 H ARG A 94 -18.936 -19.449 6.801 1.00 20.90 H new ATOM 0 HA ARG A 94 -20.778 -17.640 5.561 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -21.116 -20.229 7.123 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -22.433 -19.395 6.321 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -21.905 -20.326 4.348 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -20.259 -19.734 4.448 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -20.198 -22.151 4.307 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -19.666 -21.673 5.908 1.00 22.13 H new ATOM 0 HE ARG A 94 -21.594 -22.633 6.856 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -21.799 -22.530 3.330 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -23.188 -23.619 3.263 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -23.377 -24.036 6.758 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -24.077 -24.468 5.195 1.00 23.01 H new ATOM 1453 N ASP A 95 -20.312 -17.174 8.605 1.00 22.06 N ATOM 1454 CA ASP A 95 -20.729 -16.438 9.795 1.00 22.57 C ATOM 1455 C ASP A 95 -20.053 -15.074 9.857 1.00 21.80 C ATOM 1456 O ASP A 95 -19.053 -14.832 9.183 1.00 20.81 O ATOM 1457 CB ASP A 95 -20.390 -17.223 11.061 1.00 23.28 C ATOM 1458 CG ASP A 95 -20.912 -18.643 11.034 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -22.004 -18.868 10.474 1.00 24.00 O ATOM 1460 OD2 ASP A 95 -20.221 -19.532 11.577 1.00 24.34 O ATOM 0 H ASP A 95 -19.322 -17.418 8.583 1.00 22.06 H new ATOM 0 HA ASP A 95 -21.808 -16.299 9.733 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -19.308 -17.242 11.191 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -20.806 -16.705 11.925 1.00 23.28 H new ATOM 1465 N GLY A 96 -20.615 -14.186 10.669 1.00 22.31 N ATOM 1466 CA GLY A 96 -20.051 -12.859 10.824 1.00 21.77 C ATOM 1467 C GLY A 96 -19.233 -12.737 12.093 1.00 21.93 C ATOM 1468 O GLY A 96 -18.762 -11.652 12.436 1.00 21.68 O ATOM 0 H GLY A 96 -21.453 -14.362 11.224 1.00 22.31 H new ATOM 0 HA2 GLY A 96 -19.423 -12.629 9.964 1.00 21.77 H new ATOM 0 HA3 GLY A 96 -20.854 -12.123 10.838 1.00 21.77 H new ATOM 1472 N ASP A 97 -19.067 -13.857 12.794 1.00 22.44 N ATOM 1473 CA ASP A 97 -18.310 -13.883 14.041 1.00 22.79 C ATOM 1474 C ASP A 97 -16.872 -13.417 13.825 1.00 21.82 C ATOM 1475 O ASP A 97 -16.351 -12.615 14.600 1.00 22.02 O ATOM 1476 CB ASP A 97 -18.328 -15.290 14.648 1.00 23.40 C ATOM 1477 CG ASP A 97 -17.548 -16.297 13.821 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -17.994 -16.616 12.702 1.00 22.35 O ATOM 1479 OD2 ASP A 97 -16.489 -16.762 14.292 1.00 22.66 O ATOM 0 H ASP A 97 -19.449 -14.761 12.517 1.00 22.44 H new ATOM 0 HA ASP A 97 -18.787 -13.193 14.737 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -17.911 -15.252 15.654 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -19.360 -15.627 14.743 1.00 23.40 H new ATOM 1484 N GLY A 98 -16.237 -13.923 12.772 1.00 20.85 N ATOM 1485 CA GLY A 98 -14.867 -13.535 12.480 1.00 19.90 C ATOM 1486 C GLY A 98 -13.921 -14.715 12.410 1.00 19.67 C ATOM 1487 O GLY A 98 -12.715 -14.537 12.245 1.00 18.98 O ATOM 0 H GLY A 98 -16.644 -14.592 12.118 1.00 20.85 H new ATOM 0 HA2 GLY A 98 -14.841 -12.999 11.531 1.00 19.90 H new ATOM 0 HA3 GLY A 98 -14.520 -12.843 13.247 1.00 19.90 H new ATOM 1491 N PHE A 99 -14.461 -15.924 12.542 1.00 20.36 N ATOM 1492 CA PHE A 99 -13.642 -17.129 12.479 1.00 20.37 C ATOM 1493 C PHE A 99 -14.340 -18.219 11.666 1.00 20.60 C ATOM 1494 O PHE A 99 -15.568 -18.230 11.545 1.00 21.08 O ATOM 1495 CB PHE A 99 -13.312 -17.646 13.883 1.00 21.34 C ATOM 1496 CG PHE A 99 -12.922 -16.570 14.858 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -11.612 -16.128 14.930 1.00 21.38 C ATOM 1498 CD2 PHE A 99 -13.862 -16.005 15.705 1.00 21.92 C ATOM 1499 CE1 PHE A 99 -11.245 -15.142 15.827 1.00 21.65 C ATOM 1500 CE2 PHE A 99 -13.502 -15.018 16.604 1.00 22.21 C ATOM 1501 CZ PHE A 99 -12.192 -14.587 16.664 1.00 22.08 C ATOM 0 H PHE A 99 -15.455 -16.094 12.692 1.00 20.36 H new ATOM 0 HA PHE A 99 -12.708 -16.868 11.981 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -14.178 -18.180 14.275 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -12.499 -18.368 13.811 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -10.867 -16.559 14.277 1.00 21.38 H new ATOM 0 HD2 PHE A 99 -14.888 -16.340 15.662 1.00 21.92 H new ATOM 0 HE1 PHE A 99 -10.219 -14.807 15.873 1.00 21.65 H new ATOM 0 HE2 PHE A 99 -14.244 -14.585 17.258 1.00 22.21 H new ATOM 0 HZ PHE A 99 -11.908 -13.816 17.365 1.00 22.08 H new ATOM 1511 N ILE A 100 -13.547 -19.136 11.112 1.00 20.36 N ATOM 1512 CA ILE A 100 -14.081 -20.222 10.296 1.00 20.66 C ATOM 1513 C ILE A 100 -13.862 -21.579 10.958 1.00 21.62 C ATOM 1514 O ILE A 100 -12.853 -21.802 11.627 1.00 21.77 O ATOM 1515 CB ILE A 100 -13.422 -20.249 8.903 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -13.390 -18.844 8.300 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -14.165 -21.209 7.985 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -12.617 -18.756 7.001 1.00 17.74 C ATOM 0 H ILE A 100 -12.532 -19.147 11.215 1.00 20.36 H new ATOM 0 HA ILE A 100 -15.150 -20.036 10.194 1.00 20.66 H new ATOM 0 HB ILE A 100 -12.395 -20.599 9.010 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -14.413 -18.509 8.127 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -12.948 -18.158 9.023 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -13.688 -21.218 7.005 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -14.139 -22.212 8.410 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -15.201 -20.886 7.882 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -12.638 -17.730 6.634 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -11.584 -19.059 7.171 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -13.072 -19.416 6.262 1.00 17.74 H new ATOM 1530 N SER A 101 -14.816 -22.483 10.759 1.00 22.35 N ATOM 1531 CA SER A 101 -14.735 -23.828 11.319 1.00 23.35 C ATOM 1532 C SER A 101 -14.702 -24.862 10.201 1.00 23.43 C ATOM 1533 O SER A 101 -15.233 -24.614 9.121 1.00 22.96 O ATOM 1534 CB SER A 101 -15.934 -24.095 12.233 1.00 24.38 C ATOM 1535 OG SER A 101 -15.903 -25.411 12.757 1.00 24.61 O ATOM 0 H SER A 101 -15.658 -22.307 10.211 1.00 22.35 H new ATOM 0 HA SER A 101 -13.818 -23.905 11.903 1.00 23.35 H new ATOM 0 HB2 SER A 101 -15.936 -23.376 13.052 1.00 24.38 H new ATOM 0 HB3 SER A 101 -16.859 -23.946 11.675 1.00 24.38 H new ATOM 0 HG SER A 101 -16.680 -25.550 13.338 1.00 24.61 H new ATOM 1541 N PRO A 102 -14.069 -26.028 10.427 1.00 24.11 N ATOM 1542 CA PRO A 102 -13.996 -27.093 9.422 1.00 24.36 C ATOM 1543 C PRO A 102 -15.330 -27.317 8.708 1.00 24.64 C ATOM 1544 O PRO A 102 -15.366 -27.732 7.548 1.00 24.44 O ATOM 1545 CB PRO A 102 -13.625 -28.312 10.261 1.00 25.42 C ATOM 1546 CG PRO A 102 -12.783 -27.757 11.354 1.00 25.38 C ATOM 1547 CD PRO A 102 -13.361 -26.403 11.670 1.00 24.81 C ATOM 0 HA PRO A 102 -13.290 -26.865 8.623 1.00 24.36 H new ATOM 0 HB2 PRO A 102 -14.511 -28.810 10.654 1.00 25.42 H new ATOM 0 HB3 PRO A 102 -13.079 -29.050 9.673 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -12.803 -28.405 12.230 1.00 25.38 H new ATOM 0 HG3 PRO A 102 -11.742 -27.675 11.042 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -14.041 -26.446 12.521 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -12.582 -25.683 11.920 1.00 24.81 H new ATOM 1555 N ALA A 103 -16.422 -27.026 9.408 1.00 25.18 N ATOM 1556 CA ALA A 103 -17.762 -27.194 8.853 1.00 25.58 C ATOM 1557 C ALA A 103 -18.075 -26.118 7.818 1.00 24.70 C ATOM 1558 O ALA A 103 -18.652 -26.398 6.769 1.00 24.78 O ATOM 1559 CB ALA A 103 -18.794 -27.161 9.967 1.00 26.36 C ATOM 0 H ALA A 103 -16.405 -26.671 10.364 1.00 25.18 H new ATOM 0 HA ALA A 103 -17.800 -28.162 8.353 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -19.791 -27.287 9.544 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -18.594 -27.968 10.672 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -18.739 -26.204 10.486 1.00 26.36 H new ATOM 1565 N GLU A 104 -17.684 -24.888 8.125 1.00 23.94 N ATOM 1566 CA GLU A 104 -17.926 -23.757 7.239 1.00 23.10 C ATOM 1567 C GLU A 104 -16.945 -23.774 6.080 1.00 22.34 C ATOM 1568 O GLU A 104 -17.312 -23.531 4.929 1.00 22.06 O ATOM 1569 CB GLU A 104 -17.770 -22.448 8.010 1.00 22.54 C ATOM 1570 CG GLU A 104 -18.843 -22.212 9.057 1.00 23.20 C ATOM 1571 CD GLU A 104 -18.575 -20.967 9.879 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -18.821 -19.854 9.368 1.00 22.57 O ATOM 1573 OE2 GLU A 104 -18.115 -21.102 11.032 1.00 22.70 O ATOM 0 H GLU A 104 -17.195 -24.647 8.987 1.00 23.94 H new ATOM 0 HA GLU A 104 -18.941 -23.834 6.851 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -16.795 -22.440 8.497 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -17.780 -21.619 7.302 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -19.813 -22.121 8.567 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -18.900 -23.077 9.718 1.00 23.20 H new ATOM 1580 N LEU A 105 -15.694 -24.068 6.404 1.00 22.13 N ATOM 1581 CA LEU A 105 -14.636 -24.117 5.418 1.00 21.50 C ATOM 1582 C LEU A 105 -15.017 -25.042 4.277 1.00 22.09 C ATOM 1583 O LEU A 105 -15.017 -24.641 3.115 1.00 21.66 O ATOM 1584 CB LEU A 105 -13.334 -24.597 6.067 1.00 21.47 C ATOM 1585 CG LEU A 105 -12.073 -24.353 5.242 1.00 20.64 C ATOM 1586 CD1 LEU A 105 -10.861 -24.207 6.148 1.00 20.35 C ATOM 1587 CD2 LEU A 105 -11.854 -25.483 4.246 1.00 20.76 C ATOM 0 H LEU A 105 -15.390 -24.278 7.355 1.00 22.13 H new ATOM 0 HA LEU A 105 -14.487 -23.114 5.019 1.00 21.50 H new ATOM 0 HB2 LEU A 105 -13.221 -24.100 7.031 1.00 21.47 H new ATOM 0 HB3 LEU A 105 -13.418 -25.665 6.267 1.00 21.47 H new ATOM 0 HG LEU A 105 -12.206 -23.424 4.687 1.00 20.64 H new ATOM 0 HD11 LEU A 105 -9.972 -24.034 5.541 1.00 20.35 H new ATOM 0 HD12 LEU A 105 -11.010 -23.364 6.822 1.00 20.35 H new ATOM 0 HD13 LEU A 105 -10.730 -25.119 6.731 1.00 20.35 H new ATOM 0 HD21 LEU A 105 -10.950 -25.289 3.669 1.00 20.76 H new ATOM 0 HD22 LEU A 105 -11.746 -26.425 4.783 1.00 20.76 H new ATOM 0 HD23 LEU A 105 -12.709 -25.545 3.572 1.00 20.76 H new ATOM 1599 N ARG A 106 -15.368 -26.274 4.625 1.00 23.15 N ATOM 1600 CA ARG A 106 -15.736 -27.264 3.624 1.00 23.87 C ATOM 1601 C ARG A 106 -17.008 -26.877 2.875 1.00 23.93 C ATOM 1602 O ARG A 106 -17.021 -26.836 1.646 1.00 24.00 O ATOM 1603 CB ARG A 106 -15.899 -28.649 4.256 1.00 25.01 C ATOM 1604 CG ARG A 106 -16.782 -29.579 3.442 1.00 25.84 C ATOM 1605 CD ARG A 106 -16.898 -30.954 4.074 1.00 26.70 C ATOM 1606 NE ARG A 106 -17.022 -32.008 3.069 1.00 27.44 N ATOM 1607 CZ ARG A 106 -18.036 -32.867 3.019 1.00 28.28 C ATOM 1608 NH1 ARG A 106 -19.018 -32.792 3.908 1.00 28.51 N ATOM 1609 NH2 ARG A 106 -18.069 -33.801 2.078 1.00 28.96 N ATOM 0 H ARG A 106 -15.405 -26.609 5.588 1.00 23.15 H new ATOM 0 HA ARG A 106 -14.921 -27.299 2.901 1.00 23.87 H new ATOM 0 HB2 ARG A 106 -14.916 -29.104 4.376 1.00 25.01 H new ATOM 0 HB3 ARG A 106 -16.322 -28.538 5.254 1.00 25.01 H new ATOM 0 HG2 ARG A 106 -17.775 -29.141 3.343 1.00 25.84 H new ATOM 0 HG3 ARG A 106 -16.375 -29.676 2.436 1.00 25.84 H new ATOM 0 HD2 ARG A 106 -16.021 -31.144 4.693 1.00 26.70 H new ATOM 0 HD3 ARG A 106 -17.765 -30.978 4.734 1.00 26.70 H new ATOM 0 HE ARG A 106 -16.288 -32.089 2.365 1.00 27.44 H new ATOM 0 HH11 ARG A 106 -18.997 -32.074 4.632 1.00 28.51 H new ATOM 0 HH12 ARG A 106 -19.794 -33.452 3.867 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -17.316 -33.861 1.392 1.00 28.96 H new ATOM 0 HH22 ARG A 106 -18.847 -34.460 2.040 1.00 28.96 H new ATOM 1623 N PHE A 107 -18.073 -26.605 3.623 1.00 24.01 N ATOM 1624 CA PHE A 107 -19.360 -26.240 3.033 1.00 24.21 C ATOM 1625 C PHE A 107 -19.205 -25.256 1.877 1.00 23.32 C ATOM 1626 O PHE A 107 -19.956 -25.311 0.903 1.00 23.61 O ATOM 1627 CB PHE A 107 -20.278 -25.638 4.097 1.00 24.45 C ATOM 1628 CG PHE A 107 -21.447 -26.515 4.452 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -22.560 -26.576 3.628 1.00 25.30 C ATOM 1630 CD2 PHE A 107 -21.430 -27.279 5.607 1.00 25.33 C ATOM 1631 CE1 PHE A 107 -23.634 -27.383 3.951 1.00 25.91 C ATOM 1632 CE2 PHE A 107 -22.502 -28.088 5.936 1.00 25.94 C ATOM 1633 CZ PHE A 107 -23.610 -28.132 5.108 1.00 26.22 C ATOM 0 H PHE A 107 -18.071 -26.630 4.643 1.00 24.01 H new ATOM 0 HA PHE A 107 -19.802 -27.154 2.637 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -19.696 -25.441 4.997 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -20.650 -24.677 3.742 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -22.588 -25.986 2.724 1.00 25.30 H new ATOM 0 HD2 PHE A 107 -20.569 -27.242 6.258 1.00 25.33 H new ATOM 0 HE1 PHE A 107 -24.492 -27.427 3.297 1.00 25.91 H new ATOM 0 HE2 PHE A 107 -22.475 -28.684 6.836 1.00 25.94 H new ATOM 0 HZ PHE A 107 -24.455 -28.752 5.368 1.00 26.22 H new ATOM 1643 N VAL A 108 -18.232 -24.357 1.983 1.00 22.31 N ATOM 1644 CA VAL A 108 -18.008 -23.358 0.943 1.00 21.42 C ATOM 1645 C VAL A 108 -17.214 -23.902 -0.247 1.00 21.31 C ATOM 1646 O VAL A 108 -17.599 -23.678 -1.392 1.00 21.31 O ATOM 1647 CB VAL A 108 -17.310 -22.109 1.505 1.00 20.36 C ATOM 1648 CG1 VAL A 108 -16.994 -21.123 0.387 1.00 19.77 C ATOM 1649 CG2 VAL A 108 -18.183 -21.461 2.570 1.00 20.26 C ATOM 0 H VAL A 108 -17.589 -24.299 2.773 1.00 22.31 H new ATOM 0 HA VAL A 108 -18.998 -23.083 0.580 1.00 21.42 H new ATOM 0 HB VAL A 108 -16.368 -22.408 1.964 1.00 20.36 H new ATOM 0 HG11 VAL A 108 -16.500 -20.246 0.805 1.00 19.77 H new ATOM 0 HG12 VAL A 108 -16.336 -21.597 -0.341 1.00 19.77 H new ATOM 0 HG13 VAL A 108 -17.919 -20.820 -0.103 1.00 19.77 H new ATOM 0 HG21 VAL A 108 -17.681 -20.577 2.963 1.00 20.26 H new ATOM 0 HG22 VAL A 108 -19.138 -21.171 2.131 1.00 20.26 H new ATOM 0 HG23 VAL A 108 -18.356 -22.170 3.380 1.00 20.26 H new ATOM 1659 N MET A 109 -16.103 -24.596 0.005 1.00 21.33 N ATOM 1660 CA MET A 109 -15.306 -25.140 -1.099 1.00 21.35 C ATOM 1661 C MET A 109 -16.183 -25.986 -2.011 1.00 22.24 C ATOM 1662 O MET A 109 -16.059 -25.934 -3.235 1.00 22.21 O ATOM 1663 CB MET A 109 -14.129 -25.987 -0.607 1.00 21.65 C ATOM 1664 CG MET A 109 -13.981 -26.055 0.898 1.00 20.93 C ATOM 1665 SD MET A 109 -13.162 -27.566 1.433 1.00 20.76 S ATOM 1666 CE MET A 109 -14.395 -28.779 0.962 1.00 21.25 C ATOM 0 H MET A 109 -15.740 -24.792 0.938 1.00 21.33 H new ATOM 0 HA MET A 109 -14.901 -24.289 -1.647 1.00 21.35 H new ATOM 0 HB2 MET A 109 -14.242 -27.000 -0.993 1.00 21.65 H new ATOM 0 HB3 MET A 109 -13.208 -25.586 -1.031 1.00 21.65 H new ATOM 0 HG2 MET A 109 -13.411 -25.193 1.245 1.00 20.93 H new ATOM 0 HG3 MET A 109 -14.966 -25.994 1.361 1.00 20.93 H new ATOM 0 HE1 MET A 109 -14.332 -29.639 1.628 1.00 21.25 H new ATOM 0 HE2 MET A 109 -15.388 -28.335 1.035 1.00 21.25 H new ATOM 0 HE3 MET A 109 -14.216 -29.101 -0.064 1.00 21.25 H new ATOM 1676 N ILE A 110 -17.069 -26.767 -1.401 1.00 23.11 N ATOM 1677 CA ILE A 110 -17.980 -27.621 -2.150 1.00 24.06 C ATOM 1678 C ILE A 110 -18.823 -26.784 -3.104 1.00 23.82 C ATOM 1679 O ILE A 110 -19.185 -27.234 -4.192 1.00 24.33 O ATOM 1680 CB ILE A 110 -18.906 -28.414 -1.207 1.00 25.05 C ATOM 1681 CG1 ILE A 110 -18.077 -29.213 -0.199 1.00 25.40 C ATOM 1682 CG2 ILE A 110 -19.812 -29.341 -2.006 1.00 26.06 C ATOM 1683 CD1 ILE A 110 -18.913 -29.901 0.861 1.00 26.28 C ATOM 0 H ILE A 110 -17.174 -26.825 -0.388 1.00 23.11 H new ATOM 0 HA ILE A 110 -17.378 -28.329 -2.720 1.00 24.06 H new ATOM 0 HB ILE A 110 -19.532 -27.709 -0.660 1.00 25.05 H new ATOM 0 HG12 ILE A 110 -17.494 -29.963 -0.734 1.00 25.40 H new ATOM 0 HG13 ILE A 110 -17.367 -28.544 0.287 1.00 25.40 H new ATOM 0 HG21 ILE A 110 -20.459 -29.893 -1.325 1.00 26.06 H new ATOM 0 HG22 ILE A 110 -20.423 -28.752 -2.690 1.00 26.06 H new ATOM 0 HG23 ILE A 110 -19.203 -30.042 -2.576 1.00 26.06 H new ATOM 0 HD11 ILE A 110 -18.260 -30.448 1.541 1.00 26.28 H new ATOM 0 HD12 ILE A 110 -19.476 -29.155 1.421 1.00 26.28 H new ATOM 0 HD13 ILE A 110 -19.605 -30.596 0.385 1.00 26.28 H new ATOM 1695 N ASN A 111 -19.130 -25.561 -2.683 1.00 23.14 N ATOM 1696 CA ASN A 111 -19.914 -24.643 -3.498 1.00 22.94 C ATOM 1697 C ASN A 111 -19.140 -24.268 -4.753 1.00 22.38 C ATOM 1698 O ASN A 111 -19.721 -24.049 -5.817 1.00 22.72 O ATOM 1699 CB ASN A 111 -20.256 -23.383 -2.700 1.00 22.34 C ATOM 1700 CG ASN A 111 -21.156 -23.675 -1.515 1.00 23.08 C ATOM 1701 OD1 ASN A 111 -21.955 -24.611 -1.543 1.00 23.74 O ATOM 1702 ND2 ASN A 111 -21.029 -22.873 -0.464 1.00 23.04 N ATOM 0 H ASN A 111 -18.846 -25.183 -1.779 1.00 23.14 H new ATOM 0 HA ASN A 111 -20.841 -25.138 -3.786 1.00 22.94 H new ATOM 0 HB2 ASN A 111 -19.335 -22.919 -2.347 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -20.745 -22.663 -3.356 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -21.607 -23.021 0.363 1.00 23.04 H new ATOM 0 HD22 ASN A 111 -20.353 -22.109 -0.484 1.00 23.04 H new ATOM 1709 N LEU A 112 -17.820 -24.195 -4.617 1.00 21.58 N ATOM 1710 CA LEU A 112 -16.948 -23.857 -5.733 1.00 21.04 C ATOM 1711 C LEU A 112 -16.789 -25.056 -6.658 1.00 21.87 C ATOM 1712 O LEU A 112 -16.597 -24.906 -7.865 1.00 21.84 O ATOM 1713 CB LEU A 112 -15.575 -23.415 -5.219 1.00 20.05 C ATOM 1714 CG LEU A 112 -15.584 -22.696 -3.866 1.00 19.21 C ATOM 1715 CD1 LEU A 112 -14.164 -22.383 -3.420 1.00 19.02 C ATOM 1716 CD2 LEU A 112 -16.413 -21.424 -3.940 1.00 18.68 C ATOM 0 H LEU A 112 -17.330 -24.367 -3.739 1.00 21.58 H new ATOM 0 HA LEU A 112 -17.400 -23.036 -6.289 1.00 21.04 H new ATOM 0 HB2 LEU A 112 -14.934 -24.293 -5.141 1.00 20.05 H new ATOM 0 HB3 LEU A 112 -15.123 -22.755 -5.960 1.00 20.05 H new ATOM 0 HG LEU A 112 -16.039 -23.358 -3.129 1.00 19.21 H new ATOM 0 HD11 LEU A 112 -14.189 -21.872 -2.457 1.00 19.02 H new ATOM 0 HD12 LEU A 112 -13.600 -23.311 -3.324 1.00 19.02 H new ATOM 0 HD13 LEU A 112 -13.684 -21.741 -4.159 1.00 19.02 H new ATOM 0 HD21 LEU A 112 -16.407 -20.929 -2.969 1.00 18.68 H new ATOM 0 HD22 LEU A 112 -15.989 -20.757 -4.691 1.00 18.68 H new ATOM 0 HD23 LEU A 112 -17.438 -21.673 -4.213 1.00 18.68 H new ATOM 1728 N GLY A 113 -16.877 -26.247 -6.075 1.00 22.70 N ATOM 1729 CA GLY A 113 -16.745 -27.469 -6.848 1.00 23.62 C ATOM 1730 C GLY A 113 -15.385 -28.117 -6.678 1.00 23.76 C ATOM 1731 O GLY A 113 -14.946 -28.886 -7.533 1.00 24.44 O ATOM 0 H GLY A 113 -17.038 -26.388 -5.078 1.00 22.70 H new ATOM 0 HA2 GLY A 113 -17.520 -28.173 -6.545 1.00 23.62 H new ATOM 0 HA3 GLY A 113 -16.910 -27.248 -7.903 1.00 23.62 H new ATOM 1735 N GLU A 114 -14.719 -27.811 -5.568 1.00 23.22 N ATOM 1736 CA GLU A 114 -13.399 -28.367 -5.291 1.00 23.41 C ATOM 1737 C GLU A 114 -13.497 -29.803 -4.785 1.00 24.22 C ATOM 1738 O GLU A 114 -12.704 -30.661 -5.173 1.00 24.14 O ATOM 1739 CB GLU A 114 -12.664 -27.504 -4.263 1.00 22.59 C ATOM 1740 CG GLU A 114 -12.410 -26.079 -4.731 1.00 21.89 C ATOM 1741 CD GLU A 114 -11.576 -26.019 -5.997 1.00 21.84 C ATOM 1742 OE1 GLU A 114 -10.332 -26.053 -5.890 1.00 21.97 O ATOM 1743 OE2 GLU A 114 -12.167 -25.939 -7.094 1.00 21.76 O ATOM 0 H GLU A 114 -15.072 -27.182 -4.847 1.00 23.22 H new ATOM 0 HA GLU A 114 -12.838 -28.371 -6.225 1.00 23.41 H new ATOM 0 HB2 GLU A 114 -13.246 -27.476 -3.342 1.00 22.59 H new ATOM 0 HB3 GLU A 114 -11.710 -27.974 -4.023 1.00 22.59 H new ATOM 0 HG2 GLU A 114 -13.365 -25.583 -4.906 1.00 21.89 H new ATOM 0 HG3 GLU A 114 -11.903 -25.526 -3.940 1.00 21.89 H new ATOM 1750 N LYS A 115 -14.478 -30.059 -3.923 1.00 25.07 N ATOM 1751 CA LYS A 115 -14.680 -31.392 -3.357 1.00 25.94 C ATOM 1752 C LYS A 115 -13.410 -31.888 -2.668 1.00 25.87 C ATOM 1753 O LYS A 115 -12.538 -32.482 -3.302 1.00 26.08 O ATOM 1754 CB LYS A 115 -15.106 -32.380 -4.448 1.00 27.05 C ATOM 1755 CG LYS A 115 -15.382 -33.783 -3.929 1.00 27.83 C ATOM 1756 CD LYS A 115 -16.559 -33.802 -2.965 1.00 28.38 C ATOM 1757 CE LYS A 115 -16.843 -35.209 -2.462 1.00 29.16 C ATOM 1758 NZ LYS A 115 -15.682 -35.781 -1.725 1.00 29.75 N ATOM 0 H LYS A 115 -15.147 -29.360 -3.600 1.00 25.07 H new ATOM 0 HA LYS A 115 -15.474 -31.326 -2.613 1.00 25.94 H new ATOM 0 HB2 LYS A 115 -16.002 -32.001 -4.939 1.00 27.05 H new ATOM 0 HB3 LYS A 115 -14.324 -32.430 -5.206 1.00 27.05 H new ATOM 0 HG2 LYS A 115 -15.587 -34.448 -4.768 1.00 27.83 H new ATOM 0 HG3 LYS A 115 -14.494 -34.167 -3.427 1.00 27.83 H new ATOM 0 HD2 LYS A 115 -16.349 -33.147 -2.119 1.00 28.38 H new ATOM 0 HD3 LYS A 115 -17.445 -33.406 -3.462 1.00 28.38 H new ATOM 0 HE2 LYS A 115 -17.715 -35.192 -1.808 1.00 29.16 H new ATOM 0 HE3 LYS A 115 -17.090 -35.853 -3.306 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 -15.982 -36.636 -1.214 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 -14.929 -36.027 -2.400 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 -15.323 -35.080 -1.046 1.00 29.75 H new ATOM 1772 N VAL A 116 -13.318 -31.641 -1.364 1.00 25.67 N ATOM 1773 CA VAL A 116 -12.154 -32.051 -0.584 1.00 25.69 C ATOM 1774 C VAL A 116 -12.561 -32.891 0.621 1.00 26.53 C ATOM 1775 O VAL A 116 -13.697 -32.816 1.090 1.00 26.78 O ATOM 1776 CB VAL A 116 -11.335 -30.837 -0.078 1.00 24.51 C ATOM 1777 CG1 VAL A 116 -11.751 -29.554 -0.769 1.00 23.77 C ATOM 1778 CG2 VAL A 116 -11.460 -30.674 1.429 1.00 24.02 C ATOM 0 H VAL A 116 -14.037 -31.158 -0.825 1.00 25.67 H new ATOM 0 HA VAL A 116 -11.535 -32.644 -1.257 1.00 25.69 H new ATOM 0 HB VAL A 116 -10.292 -31.038 -0.323 1.00 24.51 H new ATOM 0 HG11 VAL A 116 -11.154 -28.725 -0.388 1.00 23.77 H new ATOM 0 HG12 VAL A 116 -11.592 -29.651 -1.843 1.00 23.77 H new ATOM 0 HG13 VAL A 116 -12.806 -29.361 -0.574 1.00 23.77 H new ATOM 0 HG21 VAL A 116 -10.874 -29.814 1.752 1.00 24.02 H new ATOM 0 HG22 VAL A 116 -12.506 -30.520 1.693 1.00 24.02 H new ATOM 0 HG23 VAL A 116 -11.090 -31.572 1.924 1.00 24.02 H new ATOM 1788 N THR A 117 -11.623 -33.693 1.115 1.00 27.04 N ATOM 1789 CA THR A 117 -11.872 -34.515 2.284 1.00 27.90 C ATOM 1790 C THR A 117 -11.801 -33.648 3.534 1.00 27.38 C ATOM 1791 O THR A 117 -10.851 -32.887 3.714 1.00 26.61 O ATOM 1792 CB THR A 117 -10.849 -35.659 2.402 1.00 28.88 C ATOM 1793 OG1 THR A 117 -9.537 -35.125 2.614 1.00 28.45 O ATOM 1794 CG2 THR A 117 -10.852 -36.521 1.148 1.00 29.54 C ATOM 0 H THR A 117 -10.687 -33.788 0.722 1.00 27.04 H new ATOM 0 HA THR A 117 -12.863 -34.956 2.181 1.00 27.90 H new ATOM 0 HB THR A 117 -11.131 -36.280 3.252 1.00 28.88 H new ATOM 0 HG1 THR A 117 -8.893 -35.860 2.690 1.00 28.45 H new ATOM 0 HG21 THR A 117 -10.121 -37.322 1.256 1.00 29.54 H new ATOM 0 HG22 THR A 117 -11.843 -36.951 1.004 1.00 29.54 H new ATOM 0 HG23 THR A 117 -10.594 -35.908 0.284 1.00 29.54 H new ATOM 1802 N ASP A 118 -12.817 -33.755 4.385 1.00 27.85 N ATOM 1803 CA ASP A 118 -12.879 -32.973 5.618 1.00 27.53 C ATOM 1804 C ASP A 118 -11.554 -33.013 6.374 1.00 27.56 C ATOM 1805 O ASP A 118 -11.286 -32.156 7.213 1.00 27.11 O ATOM 1806 CB ASP A 118 -13.997 -33.500 6.521 1.00 28.39 C ATOM 1807 CG ASP A 118 -15.370 -33.356 5.895 1.00 28.44 C ATOM 1808 OD1 ASP A 118 -15.601 -33.955 4.824 1.00 28.58 O ATOM 1809 OD2 ASP A 118 -16.213 -32.643 6.478 1.00 28.40 O ATOM 0 H ASP A 118 -13.612 -34.378 4.243 1.00 27.85 H new ATOM 0 HA ASP A 118 -13.085 -31.939 5.342 1.00 27.53 H new ATOM 0 HB2 ASP A 118 -13.813 -34.551 6.745 1.00 28.39 H new ATOM 0 HB3 ASP A 118 -13.976 -32.963 7.469 1.00 28.39 H new ATOM 1814 N GLU A 119 -10.729 -34.005 6.063 1.00 28.18 N ATOM 1815 CA GLU A 119 -9.452 -34.179 6.710 1.00 28.39 C ATOM 1816 C GLU A 119 -8.389 -33.220 6.178 1.00 27.39 C ATOM 1817 O GLU A 119 -7.721 -32.541 6.960 1.00 26.99 O ATOM 1818 CB GLU A 119 -9.007 -35.619 6.505 1.00 29.53 C ATOM 1819 CG GLU A 119 -9.519 -36.577 7.568 1.00 30.59 C ATOM 1820 CD GLU A 119 -11.031 -36.567 7.684 1.00 31.58 C ATOM 1821 OE1 GLU A 119 -11.694 -37.243 6.871 1.00 31.92 O ATOM 1822 OE2 GLU A 119 -11.552 -35.885 8.592 1.00 32.06 O ATOM 0 H GLU A 119 -10.935 -34.708 5.353 1.00 28.18 H new ATOM 0 HA GLU A 119 -9.569 -33.954 7.770 1.00 28.39 H new ATOM 0 HB2 GLU A 119 -9.349 -35.959 5.528 1.00 29.53 H new ATOM 0 HB3 GLU A 119 -7.918 -35.654 6.492 1.00 29.53 H new ATOM 0 HG2 GLU A 119 -9.183 -37.587 7.333 1.00 30.59 H new ATOM 0 HG3 GLU A 119 -9.083 -36.312 8.531 1.00 30.59 H new ATOM 1829 N GLU A 120 -8.228 -33.157 4.859 1.00 27.04 N ATOM 1830 CA GLU A 120 -7.212 -32.291 4.270 1.00 26.15 C ATOM 1831 C GLU A 120 -7.383 -30.832 4.700 1.00 24.97 C ATOM 1832 O GLU A 120 -6.410 -30.184 5.091 1.00 24.41 O ATOM 1833 CB GLU A 120 -7.192 -32.412 2.742 1.00 26.05 C ATOM 1834 CG GLU A 120 -8.433 -31.883 2.054 1.00 25.61 C ATOM 1835 CD GLU A 120 -8.294 -31.880 0.545 1.00 25.53 C ATOM 1836 OE1 GLU A 120 -7.826 -30.862 -0.007 1.00 24.93 O ATOM 1837 OE2 GLU A 120 -8.653 -32.896 -0.086 1.00 26.13 O ATOM 0 H GLU A 120 -8.780 -33.688 4.186 1.00 27.04 H new ATOM 0 HA GLU A 120 -6.248 -32.631 4.649 1.00 26.15 H new ATOM 0 HB2 GLU A 120 -6.323 -31.876 2.359 1.00 26.05 H new ATOM 0 HB3 GLU A 120 -7.063 -33.461 2.475 1.00 26.05 H new ATOM 0 HG2 GLU A 120 -9.291 -32.493 2.337 1.00 25.61 H new ATOM 0 HG3 GLU A 120 -8.634 -30.869 2.401 1.00 25.61 H new ATOM 1844 N ILE A 121 -8.609 -30.310 4.641 1.00 24.65 N ATOM 1845 CA ILE A 121 -8.846 -28.924 5.042 1.00 23.60 C ATOM 1846 C ILE A 121 -8.781 -28.761 6.556 1.00 23.80 C ATOM 1847 O ILE A 121 -8.331 -27.726 7.050 1.00 23.05 O ATOM 1848 CB ILE A 121 -10.186 -28.376 4.523 1.00 23.30 C ATOM 1849 CG1 ILE A 121 -11.306 -29.401 4.689 1.00 24.33 C ATOM 1850 CG2 ILE A 121 -10.045 -27.964 3.067 1.00 22.99 C ATOM 1851 CD1 ILE A 121 -12.549 -28.836 5.340 1.00 24.19 C ATOM 0 H ILE A 121 -9.438 -30.814 4.326 1.00 24.65 H new ATOM 0 HA ILE A 121 -8.046 -28.342 4.584 1.00 23.60 H new ATOM 0 HB ILE A 121 -10.453 -27.501 5.115 1.00 23.30 H new ATOM 0 HG12 ILE A 121 -11.568 -29.802 3.710 1.00 24.33 H new ATOM 0 HG13 ILE A 121 -10.939 -30.235 5.287 1.00 24.33 H new ATOM 0 HG21 ILE A 121 -10.997 -27.577 2.705 1.00 22.99 H new ATOM 0 HG22 ILE A 121 -9.282 -27.191 2.980 1.00 22.99 H new ATOM 0 HG23 ILE A 121 -9.755 -28.829 2.471 1.00 22.99 H new ATOM 0 HD11 ILE A 121 -13.303 -29.619 5.426 1.00 24.19 H new ATOM 0 HD12 ILE A 121 -12.301 -28.460 6.333 1.00 24.19 H new ATOM 0 HD13 ILE A 121 -12.940 -28.021 4.731 1.00 24.19 H new ATOM 1863 N ASP A 122 -9.229 -29.774 7.294 1.00 24.87 N ATOM 1864 CA ASP A 122 -9.183 -29.717 8.752 1.00 25.26 C ATOM 1865 C ASP A 122 -7.753 -29.468 9.212 1.00 25.13 C ATOM 1866 O ASP A 122 -7.506 -28.679 10.127 1.00 24.95 O ATOM 1867 CB ASP A 122 -9.710 -31.018 9.362 1.00 26.55 C ATOM 1868 CG ASP A 122 -9.624 -31.024 10.876 1.00 27.08 C ATOM 1869 OD1 ASP A 122 -8.577 -31.450 11.408 1.00 27.39 O ATOM 1870 OD2 ASP A 122 -10.601 -30.603 11.528 1.00 27.28 O ATOM 0 H ASP A 122 -9.623 -30.634 6.912 1.00 24.87 H new ATOM 0 HA ASP A 122 -9.819 -28.898 9.088 1.00 25.26 H new ATOM 0 HB2 ASP A 122 -10.747 -31.164 9.059 1.00 26.55 H new ATOM 0 HB3 ASP A 122 -9.141 -31.859 8.965 1.00 26.55 H new ATOM 1875 N GLU A 123 -6.812 -30.146 8.561 1.00 25.32 N ATOM 1876 CA GLU A 123 -5.402 -29.996 8.881 1.00 25.30 C ATOM 1877 C GLU A 123 -4.930 -28.599 8.505 1.00 24.05 C ATOM 1878 O GLU A 123 -4.159 -27.976 9.234 1.00 23.89 O ATOM 1879 CB GLU A 123 -4.570 -31.051 8.147 1.00 25.91 C ATOM 1880 CG GLU A 123 -4.910 -32.477 8.547 1.00 27.23 C ATOM 1881 CD GLU A 123 -4.060 -33.504 7.824 1.00 27.86 C ATOM 1882 OE1 GLU A 123 -4.398 -33.851 6.673 1.00 27.98 O ATOM 1883 OE2 GLU A 123 -3.057 -33.962 8.410 1.00 28.28 O ATOM 0 H GLU A 123 -7.005 -30.806 7.807 1.00 25.32 H new ATOM 0 HA GLU A 123 -5.270 -30.138 9.954 1.00 25.30 H new ATOM 0 HB2 GLU A 123 -4.720 -30.938 7.073 1.00 25.91 H new ATOM 0 HB3 GLU A 123 -3.513 -30.869 8.342 1.00 25.91 H new ATOM 0 HG2 GLU A 123 -4.774 -32.591 9.623 1.00 27.23 H new ATOM 0 HG3 GLU A 123 -5.962 -32.668 8.336 1.00 27.23 H new ATOM 1890 N MET A 124 -5.405 -28.111 7.362 1.00 23.22 N ATOM 1891 CA MET A 124 -5.052 -26.781 6.894 1.00 21.99 C ATOM 1892 C MET A 124 -5.399 -25.742 7.953 1.00 21.54 C ATOM 1893 O MET A 124 -4.738 -24.709 8.069 1.00 20.82 O ATOM 1894 CB MET A 124 -5.797 -26.477 5.597 1.00 21.32 C ATOM 1895 CG MET A 124 -5.605 -25.055 5.112 1.00 20.01 C ATOM 1896 SD MET A 124 -7.147 -24.119 5.062 1.00 19.35 S ATOM 1897 CE MET A 124 -8.064 -25.036 3.826 1.00 19.76 C ATOM 0 H MET A 124 -6.036 -28.621 6.744 1.00 23.22 H new ATOM 0 HA MET A 124 -3.979 -26.743 6.707 1.00 21.99 H new ATOM 0 HB2 MET A 124 -5.459 -27.166 4.823 1.00 21.32 H new ATOM 0 HB3 MET A 124 -6.861 -26.662 5.746 1.00 21.32 H new ATOM 0 HG2 MET A 124 -4.897 -24.545 5.766 1.00 20.01 H new ATOM 0 HG3 MET A 124 -5.163 -25.072 4.116 1.00 20.01 H new ATOM 0 HE1 MET A 124 -8.607 -24.341 3.185 1.00 19.76 H new ATOM 0 HE2 MET A 124 -7.373 -25.623 3.221 1.00 19.76 H new ATOM 0 HE3 MET A 124 -8.771 -25.703 4.318 1.00 19.76 H new ATOM 1907 N ILE A 125 -6.441 -26.031 8.724 1.00 22.08 N ATOM 1908 CA ILE A 125 -6.888 -25.138 9.778 1.00 21.89 C ATOM 1909 C ILE A 125 -5.962 -25.215 10.986 1.00 22.49 C ATOM 1910 O ILE A 125 -5.639 -24.197 11.595 1.00 22.09 O ATOM 1911 CB ILE A 125 -8.326 -25.480 10.212 1.00 22.46 C ATOM 1912 CG1 ILE A 125 -9.299 -25.210 9.060 1.00 21.89 C ATOM 1913 CG2 ILE A 125 -8.718 -24.690 11.455 1.00 22.55 C ATOM 1914 CD1 ILE A 125 -10.748 -25.485 9.406 1.00 22.55 C ATOM 0 H ILE A 125 -6.993 -26.884 8.635 1.00 22.08 H new ATOM 0 HA ILE A 125 -6.867 -24.124 9.380 1.00 21.89 H new ATOM 0 HB ILE A 125 -8.373 -26.539 10.464 1.00 22.46 H new ATOM 0 HG12 ILE A 125 -9.200 -24.170 8.750 1.00 21.89 H new ATOM 0 HG13 ILE A 125 -9.016 -25.825 8.206 1.00 21.89 H new ATOM 0 HG21 ILE A 125 -9.737 -24.947 11.743 1.00 22.55 H new ATOM 0 HG22 ILE A 125 -8.037 -24.934 12.271 1.00 22.55 H new ATOM 0 HG23 ILE A 125 -8.660 -23.623 11.241 1.00 22.55 H new ATOM 0 HD11 ILE A 125 -11.376 -25.271 8.541 1.00 22.55 H new ATOM 0 HD12 ILE A 125 -10.863 -26.532 9.687 1.00 22.55 H new ATOM 0 HD13 ILE A 125 -11.050 -24.850 10.239 1.00 22.55 H new ATOM 1926 N ARG A 126 -5.535 -26.428 11.322 1.00 23.53 N ATOM 1927 CA ARG A 126 -4.648 -26.637 12.462 1.00 24.28 C ATOM 1928 C ARG A 126 -3.272 -26.027 12.208 1.00 23.77 C ATOM 1929 O ARG A 126 -2.636 -25.503 13.122 1.00 23.91 O ATOM 1930 CB ARG A 126 -4.512 -28.132 12.758 1.00 25.52 C ATOM 1931 CG ARG A 126 -3.503 -28.452 13.852 1.00 26.44 C ATOM 1932 CD ARG A 126 -3.898 -27.827 15.180 1.00 27.30 C ATOM 1933 NE ARG A 126 -2.970 -28.185 16.249 1.00 28.16 N ATOM 1934 CZ ARG A 126 -3.179 -27.910 17.533 1.00 28.99 C ATOM 1935 NH1 ARG A 126 -4.283 -27.277 17.909 1.00 29.08 N ATOM 1936 NH2 ARG A 126 -2.284 -28.271 18.443 1.00 29.80 N ATOM 0 H ARG A 126 -5.788 -27.280 10.822 1.00 23.53 H new ATOM 0 HA ARG A 126 -5.087 -26.139 13.327 1.00 24.28 H new ATOM 0 HB2 ARG A 126 -5.486 -28.525 13.049 1.00 25.52 H new ATOM 0 HB3 ARG A 126 -4.219 -28.649 11.844 1.00 25.52 H new ATOM 0 HG2 ARG A 126 -3.422 -29.533 13.968 1.00 26.44 H new ATOM 0 HG3 ARG A 126 -2.519 -28.089 13.557 1.00 26.44 H new ATOM 0 HD2 ARG A 126 -3.930 -26.743 15.075 1.00 27.30 H new ATOM 0 HD3 ARG A 126 -4.903 -28.151 15.449 1.00 27.30 H new ATOM 0 HE ARG A 126 -2.112 -28.674 15.996 1.00 28.16 H new ATOM 0 HH11 ARG A 126 -4.974 -27.000 17.212 1.00 29.08 H new ATOM 0 HH12 ARG A 126 -4.440 -27.068 18.895 1.00 29.08 H new ATOM 0 HH21 ARG A 126 -1.435 -28.760 18.158 1.00 29.80 H new ATOM 0 HH22 ARG A 126 -2.444 -28.060 19.428 1.00 29.80 H new ATOM 1950 N GLU A 127 -2.819 -26.098 10.960 1.00 23.26 N ATOM 1951 CA GLU A 127 -1.519 -25.559 10.585 1.00 22.80 C ATOM 1952 C GLU A 127 -1.517 -24.034 10.631 1.00 21.68 C ATOM 1953 O GLU A 127 -0.490 -23.415 10.909 1.00 21.50 O ATOM 1954 CB GLU A 127 -1.141 -26.041 9.185 1.00 22.59 C ATOM 1955 CG GLU A 127 -0.475 -27.409 9.163 1.00 23.70 C ATOM 1956 CD GLU A 127 -1.210 -28.444 9.993 1.00 23.91 C ATOM 1957 OE1 GLU A 127 -1.059 -28.427 11.233 1.00 24.13 O ATOM 1958 OE2 GLU A 127 -1.943 -29.268 9.405 1.00 23.95 O ATOM 0 H GLU A 127 -3.335 -26.525 10.191 1.00 23.26 H new ATOM 0 HA GLU A 127 -0.783 -25.918 11.304 1.00 22.80 H new ATOM 0 HB2 GLU A 127 -2.039 -26.075 8.568 1.00 22.59 H new ATOM 0 HB3 GLU A 127 -0.469 -25.313 8.730 1.00 22.59 H new ATOM 0 HG2 GLU A 127 -0.410 -27.758 8.132 1.00 23.70 H new ATOM 0 HG3 GLU A 127 0.546 -27.315 9.532 1.00 23.70 H new ATOM 1965 N ALA A 128 -2.671 -23.435 10.353 1.00 21.01 N ATOM 1966 CA ALA A 128 -2.798 -21.982 10.363 1.00 19.97 C ATOM 1967 C ALA A 128 -3.258 -21.479 11.726 1.00 20.40 C ATOM 1968 O ALA A 128 -3.087 -20.305 12.056 1.00 19.88 O ATOM 1969 CB ALA A 128 -3.762 -21.531 9.274 1.00 19.05 C ATOM 0 H ALA A 128 -3.530 -23.932 10.118 1.00 21.01 H new ATOM 0 HA ALA A 128 -1.816 -21.553 10.163 1.00 19.97 H new ATOM 0 HB1 ALA A 128 -3.848 -20.445 9.292 1.00 19.05 H new ATOM 0 HB2 ALA A 128 -3.387 -21.849 8.301 1.00 19.05 H new ATOM 0 HB3 ALA A 128 -4.742 -21.976 9.448 1.00 19.05 H new ATOM 1975 N ASP A 129 -3.836 -22.376 12.517 1.00 21.43 N ATOM 1976 CA ASP A 129 -4.325 -22.024 13.843 1.00 22.05 C ATOM 1977 C ASP A 129 -3.188 -21.986 14.859 1.00 22.75 C ATOM 1978 O ASP A 129 -2.652 -23.024 15.249 1.00 23.69 O ATOM 1979 CB ASP A 129 -5.400 -23.016 14.289 1.00 22.95 C ATOM 1980 CG ASP A 129 -5.757 -22.871 15.752 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -6.295 -21.809 16.127 1.00 23.96 O ATOM 1982 OD2 ASP A 129 -5.495 -23.816 16.524 1.00 24.38 O ATOM 0 H ASP A 129 -3.977 -23.353 12.262 1.00 21.43 H new ATOM 0 HA ASP A 129 -4.761 -21.026 13.788 1.00 22.05 H new ATOM 0 HB2 ASP A 129 -6.295 -22.871 13.685 1.00 22.95 H new ATOM 0 HB3 ASP A 129 -5.051 -24.032 14.103 1.00 22.95 H new ATOM 1987 N PHE A 130 -2.826 -20.778 15.278 1.00 22.35 N ATOM 1988 CA PHE A 130 -1.753 -20.591 16.250 1.00 23.04 C ATOM 1989 C PHE A 130 -2.304 -20.424 17.664 1.00 24.02 C ATOM 1990 O PHE A 130 -1.793 -21.021 18.611 1.00 25.05 O ATOM 1991 CB PHE A 130 -0.910 -19.369 15.879 1.00 22.22 C ATOM 1992 CG PHE A 130 -0.086 -19.557 14.639 1.00 21.35 C ATOM 1993 CD1 PHE A 130 1.122 -20.232 14.691 1.00 21.23 C ATOM 1994 CD2 PHE A 130 -0.519 -19.057 13.420 1.00 20.73 C ATOM 1995 CE1 PHE A 130 1.884 -20.406 13.552 1.00 20.51 C ATOM 1996 CE2 PHE A 130 0.239 -19.228 12.277 1.00 20.01 C ATOM 1997 CZ PHE A 130 1.442 -19.902 12.343 1.00 19.90 C ATOM 0 H PHE A 130 -3.260 -19.912 14.959 1.00 22.35 H new ATOM 0 HA PHE A 130 -1.129 -21.484 16.230 1.00 23.04 H new ATOM 0 HB2 PHE A 130 -1.570 -18.513 15.739 1.00 22.22 H new ATOM 0 HB3 PHE A 130 -0.248 -19.129 16.711 1.00 22.22 H new ATOM 0 HD1 PHE A 130 1.472 -20.627 15.633 1.00 21.23 H new ATOM 0 HD2 PHE A 130 -1.459 -18.528 13.363 1.00 20.73 H new ATOM 0 HE1 PHE A 130 2.824 -20.935 13.606 1.00 20.51 H new ATOM 0 HE2 PHE A 130 -0.109 -18.835 11.333 1.00 20.01 H new ATOM 0 HZ PHE A 130 2.037 -20.035 11.452 1.00 19.90 H new ATOM 2007 N ASP A 131 -3.347 -19.608 17.800 1.00 23.76 N ATOM 2008 CA ASP A 131 -3.958 -19.358 19.102 1.00 24.71 C ATOM 2009 C ASP A 131 -4.441 -20.652 19.750 1.00 25.78 C ATOM 2010 O ASP A 131 -4.429 -20.785 20.974 1.00 26.78 O ATOM 2011 CB ASP A 131 -5.119 -18.371 18.967 1.00 24.21 C ATOM 2012 CG ASP A 131 -6.053 -18.723 17.825 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -6.672 -19.806 17.874 1.00 23.46 O ATOM 2014 OD2 ASP A 131 -6.168 -17.911 16.883 1.00 22.53 O ATOM 0 H ASP A 131 -3.786 -19.110 17.026 1.00 23.76 H new ATOM 0 HA ASP A 131 -3.195 -18.923 19.747 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -5.683 -18.349 19.899 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -4.722 -17.368 18.811 1.00 24.21 H new ATOM 2019 N GLY A 132 -4.864 -21.602 18.923 1.00 25.60 N ATOM 2020 CA GLY A 132 -5.342 -22.873 19.437 1.00 26.62 C ATOM 2021 C GLY A 132 -6.799 -22.828 19.858 1.00 26.95 C ATOM 2022 O GLY A 132 -7.108 -22.890 21.047 1.00 27.86 O ATOM 0 H GLY A 132 -4.885 -21.515 17.907 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -5.213 -23.640 18.673 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -4.731 -23.167 20.290 1.00 26.62 H new ATOM 2026 N ASP A 133 -7.695 -22.720 18.881 1.00 26.26 N ATOM 2027 CA ASP A 133 -9.128 -22.672 19.162 1.00 26.58 C ATOM 2028 C ASP A 133 -9.921 -23.474 18.132 1.00 26.27 C ATOM 2029 O ASP A 133 -11.123 -23.686 18.291 1.00 26.65 O ATOM 2030 CB ASP A 133 -9.618 -21.222 19.183 1.00 26.12 C ATOM 2031 CG ASP A 133 -9.601 -20.582 17.808 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -8.794 -21.020 16.961 1.00 24.55 O ATOM 2033 OD2 ASP A 133 -10.393 -19.645 17.579 1.00 24.32 O ATOM 0 H ASP A 133 -7.456 -22.664 17.891 1.00 26.26 H new ATOM 0 HA ASP A 133 -9.291 -23.120 20.142 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -10.632 -21.190 19.582 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -8.991 -20.640 19.859 1.00 26.12 H new ATOM 2038 N GLY A 134 -9.241 -23.919 17.079 1.00 25.66 N ATOM 2039 CA GLY A 134 -9.899 -24.690 16.039 1.00 25.42 C ATOM 2040 C GLY A 134 -10.685 -23.818 15.078 1.00 24.43 C ATOM 2041 O GLY A 134 -11.601 -24.292 14.406 1.00 24.42 O ATOM 0 H GLY A 134 -8.245 -23.759 16.927 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -9.152 -25.256 15.483 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -10.571 -25.415 16.499 1.00 25.42 H new ATOM 2045 N MET A 135 -10.324 -22.539 15.014 1.00 23.66 N ATOM 2046 CA MET A 135 -10.996 -21.592 14.132 1.00 22.72 C ATOM 2047 C MET A 135 -9.974 -20.754 13.369 1.00 21.56 C ATOM 2048 O MET A 135 -8.849 -20.567 13.832 1.00 21.55 O ATOM 2049 CB MET A 135 -11.922 -20.680 14.937 1.00 23.01 C ATOM 2050 CG MET A 135 -12.911 -21.429 15.817 1.00 24.25 C ATOM 2051 SD MET A 135 -14.134 -22.349 14.863 1.00 24.43 S ATOM 2052 CE MET A 135 -15.014 -21.011 14.062 1.00 23.79 C ATOM 0 H MET A 135 -9.567 -22.135 15.565 1.00 23.66 H new ATOM 0 HA MET A 135 -11.592 -22.156 13.415 1.00 22.72 H new ATOM 0 HB2 MET A 135 -11.316 -20.025 15.564 1.00 23.01 H new ATOM 0 HB3 MET A 135 -12.475 -20.041 14.249 1.00 23.01 H new ATOM 0 HG2 MET A 135 -12.367 -22.118 16.463 1.00 24.25 H new ATOM 0 HG3 MET A 135 -13.422 -20.719 16.467 1.00 24.25 H new ATOM 0 HE1 MET A 135 -15.890 -21.407 13.549 1.00 23.79 H new ATOM 0 HE2 MET A 135 -15.330 -20.284 14.810 1.00 23.79 H new ATOM 0 HE3 MET A 135 -14.359 -20.526 13.339 1.00 23.79 H new ATOM 2062 N ILE A 136 -10.375 -20.239 12.206 1.00 20.64 N ATOM 2063 CA ILE A 136 -9.479 -19.430 11.381 1.00 19.48 C ATOM 2064 C ILE A 136 -9.955 -17.986 11.268 1.00 18.80 C ATOM 2065 O ILE A 136 -11.115 -17.723 10.963 1.00 18.85 O ATOM 2066 CB ILE A 136 -9.345 -20.005 9.957 1.00 18.91 C ATOM 2067 CG1 ILE A 136 -8.749 -21.416 9.994 1.00 19.65 C ATOM 2068 CG2 ILE A 136 -8.499 -19.080 9.088 1.00 17.71 C ATOM 2069 CD1 ILE A 136 -7.320 -21.468 10.492 1.00 19.77 C ATOM 0 H ILE A 136 -11.309 -20.367 11.816 1.00 20.64 H new ATOM 0 HA ILE A 136 -8.511 -19.454 11.882 1.00 19.48 H new ATOM 0 HB ILE A 136 -10.340 -20.073 9.518 1.00 18.91 H new ATOM 0 HG12 ILE A 136 -9.369 -22.044 10.633 1.00 19.65 H new ATOM 0 HG13 ILE A 136 -8.789 -21.843 8.992 1.00 19.65 H new ATOM 0 HG21 ILE A 136 -8.414 -19.500 8.086 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -8.972 -18.100 9.032 1.00 17.71 H new ATOM 0 HG23 ILE A 136 -7.505 -18.979 9.525 1.00 17.71 H new ATOM 0 HD11 ILE A 136 -6.971 -22.501 10.488 1.00 19.77 H new ATOM 0 HD12 ILE A 136 -6.685 -20.868 9.840 1.00 19.77 H new ATOM 0 HD13 ILE A 136 -7.274 -21.073 11.507 1.00 19.77 H new ATOM 2081 N ASN A 137 -9.035 -17.060 11.507 1.00 18.27 N ATOM 2082 CA ASN A 137 -9.321 -15.633 11.416 1.00 17.67 C ATOM 2083 C ASN A 137 -8.500 -15.012 10.291 1.00 16.40 C ATOM 2084 O ASN A 137 -7.508 -15.599 9.863 1.00 16.12 O ATOM 2085 CB ASN A 137 -9.052 -14.925 12.747 1.00 18.25 C ATOM 2086 CG ASN A 137 -7.752 -15.356 13.391 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -6.692 -14.602 13.139 1.00 18.03 O flip ATOM 2088 ND2 ASN A 137 -7.704 -16.349 14.116 1.00 18.49 N flip ATOM 0 H ASN A 137 -8.073 -17.275 11.768 1.00 18.27 H new ATOM 0 HA ASN A 137 -10.380 -15.506 11.191 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -9.030 -13.848 12.582 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -9.875 -15.126 13.432 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -8.546 -16.900 14.282 1.00 18.49 H new ATOM 0 HD22 ASN A 137 -6.822 -16.621 14.551 1.00 18.49 H new ATOM 2095 N TYR A 138 -8.926 -13.850 9.796 1.00 15.73 N ATOM 2096 CA TYR A 138 -8.234 -13.169 8.696 1.00 14.51 C ATOM 2097 C TYR A 138 -6.708 -13.305 8.781 1.00 14.21 C ATOM 2098 O TYR A 138 -6.023 -13.266 7.758 1.00 13.35 O ATOM 2099 CB TYR A 138 -8.622 -11.688 8.677 1.00 14.11 C ATOM 2100 CG TYR A 138 -7.751 -10.836 7.780 1.00 12.93 C ATOM 2101 CD1 TYR A 138 -7.816 -10.959 6.398 1.00 12.60 C ATOM 2102 CD2 TYR A 138 -6.865 -9.908 8.314 1.00 12.24 C ATOM 2103 CE1 TYR A 138 -7.024 -10.183 5.573 1.00 11.56 C ATOM 2104 CE2 TYR A 138 -6.069 -9.128 7.496 1.00 11.18 C ATOM 2105 CZ TYR A 138 -6.147 -9.267 6.134 1.00 10.81 C ATOM 2106 OH TYR A 138 -5.362 -8.495 5.309 1.00 9.80 O ATOM 0 H TYR A 138 -9.750 -13.357 10.139 1.00 15.73 H new ATOM 0 HA TYR A 138 -8.548 -13.653 7.771 1.00 14.51 H new ATOM 0 HB2 TYR A 138 -9.658 -11.598 8.352 1.00 14.11 H new ATOM 0 HB3 TYR A 138 -8.572 -11.297 9.693 1.00 14.11 H new ATOM 0 HD1 TYR A 138 -8.497 -11.674 5.960 1.00 12.60 H new ATOM 0 HD2 TYR A 138 -6.797 -9.794 9.386 1.00 12.24 H new ATOM 0 HE1 TYR A 138 -7.088 -10.289 4.500 1.00 11.56 H new ATOM 0 HE2 TYR A 138 -5.387 -8.411 7.929 1.00 11.18 H new ATOM 0 HH TYR A 138 -4.802 -7.902 5.852 1.00 9.80 H new ATOM 2116 N GLU A 139 -6.175 -13.486 9.986 1.00 15.05 N ATOM 2117 CA GLU A 139 -4.731 -13.624 10.151 1.00 15.05 C ATOM 2118 C GLU A 139 -4.285 -15.031 9.774 1.00 15.40 C ATOM 2119 O GLU A 139 -3.413 -15.205 8.923 1.00 14.88 O ATOM 2120 CB GLU A 139 -4.312 -13.310 11.587 1.00 16.02 C ATOM 2121 CG GLU A 139 -4.575 -11.870 11.996 1.00 15.89 C ATOM 2122 CD GLU A 139 -4.121 -11.575 13.413 1.00 16.64 C ATOM 2123 OE1 GLU A 139 -2.911 -11.340 13.611 1.00 16.91 O ATOM 2124 OE2 GLU A 139 -4.977 -11.577 14.323 1.00 17.06 O ATOM 0 H GLU A 139 -6.712 -13.540 10.851 1.00 15.05 H new ATOM 0 HA GLU A 139 -4.247 -12.908 9.487 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -4.846 -13.975 12.266 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -3.249 -13.523 11.701 1.00 16.02 H new ATOM 0 HG2 GLU A 139 -4.061 -11.200 11.307 1.00 15.89 H new ATOM 0 HG3 GLU A 139 -5.641 -11.660 11.909 1.00 15.89 H new ATOM 2131 N GLU A 140 -4.887 -16.030 10.411 1.00 16.39 N ATOM 2132 CA GLU A 140 -4.556 -17.421 10.120 1.00 16.95 C ATOM 2133 C GLU A 140 -4.863 -17.729 8.660 1.00 16.22 C ATOM 2134 O GLU A 140 -4.267 -18.625 8.059 1.00 16.37 O ATOM 2135 CB GLU A 140 -5.343 -18.376 11.027 1.00 18.12 C ATOM 2136 CG GLU A 140 -5.646 -17.820 12.409 1.00 18.79 C ATOM 2137 CD GLU A 140 -5.835 -18.911 13.442 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -6.512 -19.913 13.134 1.00 20.52 O ATOM 2139 OE2 GLU A 140 -5.309 -18.761 14.562 1.00 20.75 O ATOM 0 H GLU A 140 -5.602 -15.904 11.128 1.00 16.39 H new ATOM 0 HA GLU A 140 -3.493 -17.566 10.310 1.00 16.95 H new ATOM 0 HB2 GLU A 140 -6.283 -18.632 10.537 1.00 18.12 H new ATOM 0 HB3 GLU A 140 -4.778 -19.302 11.137 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -4.832 -17.165 12.721 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -6.547 -17.208 12.362 1.00 18.79 H new ATOM 2146 N PHE A 141 -5.797 -16.968 8.095 1.00 15.58 N ATOM 2147 CA PHE A 141 -6.200 -17.144 6.708 1.00 14.98 C ATOM 2148 C PHE A 141 -5.109 -16.649 5.763 1.00 14.05 C ATOM 2149 O PHE A 141 -4.648 -17.389 4.898 1.00 14.12 O ATOM 2150 CB PHE A 141 -7.511 -16.397 6.437 1.00 14.62 C ATOM 2151 CG PHE A 141 -7.989 -16.519 5.018 1.00 14.16 C ATOM 2152 CD1 PHE A 141 -7.565 -15.624 4.049 1.00 13.21 C ATOM 2153 CD2 PHE A 141 -8.870 -17.524 4.656 1.00 14.81 C ATOM 2154 CE1 PHE A 141 -8.013 -15.728 2.746 1.00 12.98 C ATOM 2155 CE2 PHE A 141 -9.319 -17.635 3.357 1.00 14.61 C ATOM 2156 CZ PHE A 141 -8.851 -16.756 2.388 1.00 13.73 C ATOM 0 H PHE A 141 -6.290 -16.220 8.583 1.00 15.58 H new ATOM 0 HA PHE A 141 -6.356 -18.208 6.529 1.00 14.98 H new ATOM 0 HB2 PHE A 141 -8.282 -16.779 7.106 1.00 14.62 H new ATOM 0 HB3 PHE A 141 -7.375 -15.342 6.677 1.00 14.62 H new ATOM 0 HD1 PHE A 141 -6.876 -14.836 4.315 1.00 13.21 H new ATOM 0 HD2 PHE A 141 -9.210 -18.229 5.400 1.00 14.81 H new ATOM 0 HE1 PHE A 141 -7.704 -15.001 2.009 1.00 12.98 H new ATOM 0 HE2 PHE A 141 -10.032 -18.402 3.094 1.00 14.61 H new ATOM 0 HZ PHE A 141 -9.145 -16.881 1.356 1.00 13.73 H new ATOM 2166 N VAL A 142 -4.707 -15.393 5.937 1.00 13.29 N ATOM 2167 CA VAL A 142 -3.667 -14.793 5.106 1.00 12.40 C ATOM 2168 C VAL A 142 -2.412 -15.665 5.067 1.00 12.96 C ATOM 2169 O VAL A 142 -1.752 -15.775 4.032 1.00 12.60 O ATOM 2170 CB VAL A 142 -3.298 -13.379 5.610 1.00 11.84 C ATOM 2171 CG1 VAL A 142 -1.980 -12.906 5.010 1.00 11.29 C ATOM 2172 CG2 VAL A 142 -4.412 -12.397 5.284 1.00 11.16 C ATOM 0 H VAL A 142 -5.087 -14.769 6.649 1.00 13.29 H new ATOM 0 HA VAL A 142 -4.070 -14.716 4.096 1.00 12.40 H new ATOM 0 HB VAL A 142 -3.175 -13.427 6.692 1.00 11.84 H new ATOM 0 HG11 VAL A 142 -1.747 -11.909 5.383 1.00 11.29 H new ATOM 0 HG12 VAL A 142 -1.184 -13.594 5.293 1.00 11.29 H new ATOM 0 HG13 VAL A 142 -2.065 -12.876 3.924 1.00 11.29 H new ATOM 0 HG21 VAL A 142 -4.140 -11.405 5.644 1.00 11.16 H new ATOM 0 HG22 VAL A 142 -4.562 -12.363 4.205 1.00 11.16 H new ATOM 0 HG23 VAL A 142 -5.334 -12.719 5.769 1.00 11.16 H new ATOM 2182 N TRP A 143 -2.097 -16.295 6.192 1.00 13.99 N ATOM 2183 CA TRP A 143 -0.914 -17.144 6.282 1.00 14.75 C ATOM 2184 C TRP A 143 -1.043 -18.394 5.414 1.00 15.22 C ATOM 2185 O TRP A 143 -0.191 -18.657 4.568 1.00 15.27 O ATOM 2186 CB TRP A 143 -0.659 -17.556 7.734 1.00 15.86 C ATOM 2187 CG TRP A 143 0.540 -18.438 7.888 1.00 16.76 C ATOM 2188 CD1 TRP A 143 1.840 -18.051 8.044 1.00 16.94 C ATOM 2189 CD2 TRP A 143 0.543 -19.863 7.889 1.00 17.71 C ATOM 2190 NE1 TRP A 143 2.651 -19.158 8.142 1.00 17.96 N ATOM 2191 CE2 TRP A 143 1.873 -20.284 8.050 1.00 18.43 C ATOM 2192 CE3 TRP A 143 -0.460 -20.820 7.773 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 2.226 -21.631 8.093 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 -0.114 -22.157 7.813 1.00 19.15 C ATOM 2195 CH2 TRP A 143 1.221 -22.552 7.973 1.00 19.83 C ATOM 0 H TRP A 143 -2.642 -16.235 7.052 1.00 13.99 H new ATOM 0 HA TRP A 143 -0.071 -16.559 5.914 1.00 14.75 H new ATOM 0 HB2 TRP A 143 -0.526 -16.661 8.342 1.00 15.86 H new ATOM 0 HB3 TRP A 143 -1.537 -18.075 8.119 1.00 15.86 H new ATOM 0 HD1 TRP A 143 2.181 -17.027 8.084 1.00 16.94 H new ATOM 0 HE1 TRP A 143 3.664 -19.144 8.263 1.00 17.96 H new ATOM 0 HE3 TRP A 143 -1.491 -20.523 7.654 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 3.254 -21.937 8.216 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 -0.884 -22.909 7.720 1.00 19.15 H new ATOM 0 HH2 TRP A 143 1.462 -23.604 8.002 1.00 19.83 H new ATOM 2206 N MET A 144 -2.111 -19.159 5.627 1.00 15.69 N ATOM 2207 CA MET A 144 -2.326 -20.400 4.885 1.00 16.33 C ATOM 2208 C MET A 144 -2.578 -20.154 3.399 1.00 15.63 C ATOM 2209 O MET A 144 -2.104 -20.912 2.552 1.00 16.10 O ATOM 2210 CB MET A 144 -3.490 -21.188 5.491 1.00 17.12 C ATOM 2211 CG MET A 144 -4.847 -20.524 5.315 1.00 16.59 C ATOM 2212 SD MET A 144 -6.109 -21.258 6.372 1.00 17.69 S ATOM 2213 CE MET A 144 -7.577 -20.444 5.753 1.00 17.05 C ATOM 0 H MET A 144 -2.840 -18.942 6.306 1.00 15.69 H new ATOM 0 HA MET A 144 -1.409 -20.983 4.967 1.00 16.33 H new ATOM 0 HB2 MET A 144 -3.520 -22.178 5.036 1.00 17.12 H new ATOM 0 HB3 MET A 144 -3.303 -21.331 6.555 1.00 17.12 H new ATOM 0 HG2 MET A 144 -4.761 -19.461 5.540 1.00 16.59 H new ATOM 0 HG3 MET A 144 -5.157 -20.605 4.273 1.00 16.59 H new ATOM 0 HE1 MET A 144 -8.431 -21.116 5.843 1.00 17.05 H new ATOM 0 HE2 MET A 144 -7.764 -19.540 6.333 1.00 17.05 H new ATOM 0 HE3 MET A 144 -7.432 -20.179 4.706 1.00 17.05 H new ATOM 2223 N ILE A 145 -3.322 -19.101 3.081 1.00 14.62 N ATOM 2224 CA ILE A 145 -3.628 -18.785 1.691 1.00 14.03 C ATOM 2225 C ILE A 145 -2.361 -18.445 0.913 1.00 13.62 C ATOM 2226 O ILE A 145 -2.247 -18.761 -0.272 1.00 13.74 O ATOM 2227 CB ILE A 145 -4.630 -17.619 1.574 1.00 13.14 C ATOM 2228 CG1 ILE A 145 -5.021 -17.410 0.114 1.00 12.79 C ATOM 2229 CG2 ILE A 145 -4.035 -16.346 2.149 1.00 12.26 C ATOM 2230 CD1 ILE A 145 -6.328 -16.670 -0.071 1.00 12.37 C ATOM 0 H ILE A 145 -3.722 -18.455 3.762 1.00 14.62 H new ATOM 0 HA ILE A 145 -4.085 -19.677 1.261 1.00 14.03 H new ATOM 0 HB ILE A 145 -5.524 -17.868 2.146 1.00 13.14 H new ATOM 0 HG12 ILE A 145 -4.228 -16.857 -0.389 1.00 12.79 H new ATOM 0 HG13 ILE A 145 -5.092 -18.381 -0.375 1.00 12.79 H new ATOM 0 HG21 ILE A 145 -4.756 -15.534 2.058 1.00 12.26 H new ATOM 0 HG22 ILE A 145 -3.793 -16.500 3.201 1.00 12.26 H new ATOM 0 HG23 ILE A 145 -3.128 -16.089 1.602 1.00 12.26 H new ATOM 0 HD11 ILE A 145 -6.537 -16.561 -1.135 1.00 12.37 H new ATOM 0 HD12 ILE A 145 -7.134 -17.232 0.401 1.00 12.37 H new ATOM 0 HD13 ILE A 145 -6.256 -15.684 0.388 1.00 12.37 H new ATOM 2242 N SER A 146 -1.411 -17.802 1.584 1.00 13.30 N ATOM 2243 CA SER A 146 -0.151 -17.430 0.950 1.00 13.04 C ATOM 2244 C SER A 146 0.629 -18.675 0.548 1.00 14.17 C ATOM 2245 O SER A 146 1.560 -18.608 -0.254 1.00 14.26 O ATOM 2246 CB SER A 146 0.693 -16.577 1.900 1.00 12.74 C ATOM 2247 OG SER A 146 0.051 -15.347 2.188 1.00 12.48 O ATOM 0 H SER A 146 -1.489 -17.528 2.564 1.00 13.30 H new ATOM 0 HA SER A 146 -0.377 -16.848 0.056 1.00 13.04 H new ATOM 0 HB2 SER A 146 0.869 -17.124 2.826 1.00 12.74 H new ATOM 0 HB3 SER A 146 1.668 -16.386 1.453 1.00 12.74 H new ATOM 0 HG SER A 146 -0.398 -15.408 3.057 1.00 12.48 H new ATOM 2253 N GLN A 147 0.235 -19.810 1.114 1.00 15.13 N ATOM 2254 CA GLN A 147 0.890 -21.079 0.831 1.00 16.31 C ATOM 2255 C GLN A 147 0.202 -21.804 -0.320 1.00 16.62 C ATOM 2256 O GLN A 147 0.798 -22.663 -0.971 1.00 17.39 O ATOM 2257 CB GLN A 147 0.882 -21.955 2.085 1.00 17.27 C ATOM 2258 CG GLN A 147 0.910 -21.155 3.376 1.00 17.07 C ATOM 2259 CD GLN A 147 2.119 -20.243 3.477 1.00 17.24 C ATOM 2260 OE1 GLN A 147 2.078 -19.088 3.052 1.00 17.61 O ATOM 2261 NE2 GLN A 147 3.203 -20.756 4.042 1.00 17.09 N ATOM 0 H GLN A 147 -0.539 -19.876 1.775 1.00 15.13 H new ATOM 0 HA GLN A 147 1.920 -20.878 0.537 1.00 16.31 H new ATOM 0 HB2 GLN A 147 -0.008 -22.584 2.075 1.00 17.27 H new ATOM 0 HB3 GLN A 147 1.744 -22.622 2.060 1.00 17.27 H new ATOM 0 HG2 GLN A 147 0.002 -20.556 3.447 1.00 17.07 H new ATOM 0 HG3 GLN A 147 0.906 -21.841 4.223 1.00 17.07 H new ATOM 0 HE21 GLN A 147 3.195 -21.718 4.381 1.00 17.09 H new ATOM 0 HE22 GLN A 147 4.045 -20.189 4.138 1.00 17.09 H new ATOM 2270 N LYS A 148 -1.057 -21.453 -0.565 1.00 16.13 N ATOM 2271 CA LYS A 148 -1.830 -22.068 -1.639 1.00 16.53 C ATOM 2272 C LYS A 148 -1.237 -21.725 -3.001 1.00 16.32 C ATOM 2273 O LYS A 148 -1.601 -20.665 -3.555 1.00 16.11 O ATOM 2274 CB LYS A 148 -3.288 -21.611 -1.573 1.00 16.16 C ATOM 2275 CG LYS A 148 -3.997 -22.014 -0.290 1.00 16.47 C ATOM 2276 CD LYS A 148 -5.466 -21.624 -0.322 1.00 16.26 C ATOM 2277 CE LYS A 148 -6.185 -22.052 0.947 1.00 16.41 C ATOM 2278 NZ LYS A 148 -6.104 -23.523 1.163 1.00 16.72 N ATOM 2279 OXT LYS A 148 -0.415 -22.519 -3.505 1.00 16.50 O ATOM 0 H LYS A 148 -1.564 -20.745 -0.034 1.00 16.13 H new ATOM 0 HA LYS A 148 -1.790 -23.149 -1.508 1.00 16.53 H new ATOM 0 HB2 LYS A 148 -3.324 -20.526 -1.672 1.00 16.16 H new ATOM 0 HB3 LYS A 148 -3.829 -22.027 -2.423 1.00 16.16 H new ATOM 0 HG2 LYS A 148 -3.908 -23.091 -0.146 1.00 16.47 H new ATOM 0 HG3 LYS A 148 -3.511 -21.537 0.561 1.00 16.47 H new ATOM 0 HD2 LYS A 148 -5.554 -20.545 -0.445 1.00 16.26 H new ATOM 0 HD3 LYS A 148 -5.946 -22.083 -1.186 1.00 16.26 H new ATOM 0 HE2 LYS A 148 -5.750 -21.535 1.802 1.00 16.41 H new ATOM 0 HE3 LYS A 148 -7.231 -21.751 0.891 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 -6.951 -23.846 1.673 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 -6.048 -24.006 0.244 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 -5.257 -23.745 1.724 1.00 16.72 H new