USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1102 hydrogens (28 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 NoAdj-H: B 312 ALY H2 : B 312 ALY N : B 311 GLY C :(H bumps) USER MOD NoAdj-H: B 315 ALY H2 : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD Set 1.1: A 135 GLN : amide:sc= 0.776 K(o=3.3,f=-6.5!) USER MOD Set 1.2: A 136 LYS NZ :NH3+ -176:sc= 2.42 (180deg=0) USER MOD Set 1.3: A 139 GLN : amide:sc= 0.117 K(o=3.3,f=-15!) USER MOD Set 2.1: A 95 TYR OH : rot 125:sc= -1.9! USER MOD Set 2.2: A 101 CYS SG : rot 13:sc= -0.856! USER MOD Set 3.1: A 97 SER OG : rot 131:sc= 1.13 USER MOD Set 3.2: A 99 SER OG : rot 180:sc= 0.143 USER MOD Set 4.1: A 43 GLN : amide:sc= 0 K(o=0.19,f=-0.68) USER MOD Set 4.2: A 44 ASN : amide:sc= 0.188 K(o=0.19,f=-1.8!) USER MOD Set 5.1: A 42 MET CE :methyl 146:sc= -1.15 (180deg=-4.98!) USER MOD Set 5.2: A 102 MET CE :methyl -113:sc= -0.807 (180deg=0) USER MOD Set 5.3: A 140 MET CE :methyl -148:sc= -0.0224 (180deg=-0.0224) USER MOD Set 6.1: A 35 LYS NZ :NH3+ -142:sc= 0.366 (180deg=-1.37!) USER MOD Set 6.2: A 40 GLN : amide:sc= 0.263 K(o=0.63,f=-2.9) USER MOD Set 7.1: A 24 SER OG : rot 150:sc= -0.0152 USER MOD Set 7.2: A 81 MET CE :methyl -167:sc= -0.211 (180deg=-0.505) USER MOD Single : A 27 SER OG : rot 180:sc= -0.482 USER MOD Single : A 28 ASN : amide:sc= 0.0839 K(o=0.084,f=-7.6!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -120:sc= 1.08 (180deg=-1.03!) USER MOD Single : A 36 THR OG1 : rot 179:sc= 1.28 USER MOD Single : A 37 ASN : amide:sc= -0.817 K(o=-0.82,f=-3.4!) USER MOD Single : A 38 GLN : amide:sc= 0.701 K(o=0.7,f=-0.041) USER MOD Single : A 41 TYR OH : rot 91:sc= 1.04 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 118:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -3.33 K(o=-3.3,f=-6!) USER MOD Single : A 54 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.61) USER MOD Single : A 60 TYR OH : rot -2:sc= 1.1 USER MOD Single : A 61 GLN : amide:sc= -0.754 K(o=-0.75,f=-0.042) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.071 K(o=-0.071,f=-1.6!) USER MOD Single : A 73 TYR OH : rot -15:sc= 0.0481 USER MOD Single : A 74 HIS : no HD1:sc= -0.428 K(o=-0.43,f=-1) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 0.299 (180deg=0.268) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl -109:sc= -1.77 (180deg=-5.29!) USER MOD Single : A 85 THR OG1 : rot -101:sc= 2.04 USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0.68) USER MOD Single : A 88 LYS NZ :NH3+ -152:sc= -0.0667 (180deg=-0.428) USER MOD Single : A 92 ASN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 93 ASN : amide:sc= -0.431! X(o=-0.43!,f=-0.6) USER MOD Single : A 94 TYR OH : rot 8:sc= 1.25 USER MOD Single : A 103 GLN : amide:sc= -0.488 K(o=-0.49,f=-1) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 108 MET CE :methyl 178:sc= 0 (180deg=-0.00572) USER MOD Single : A 110 THR OG1 : rot 77:sc= 0.815 USER MOD Single : A 111 ASN : amide:sc= 0.52 K(o=0.52,f=-1.8!) USER MOD Single : A 112 CYS SG : rot -58:sc= -2.13! USER MOD Single : A 113 TYR OH : rot -177:sc= 1.06 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 1.2 K(o=1.2,f=-0.32) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0414 USER MOD Single : A 125 MET CE :methyl -165:sc= 0 (180deg=-0.106) USER MOD Single : A 127 GLN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 GLN : amide:sc= -0.703 X(o=-0.7,f=-0.35) USER MOD Single : B 314 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.14) USER MOD Single : B 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 21 0.807 -14.483 6.346 1.00 5.93 N ATOM 2 CA PRO A 21 0.203 -13.675 5.265 1.00 5.16 C ATOM 3 C PRO A 21 -0.541 -14.577 4.295 1.00 4.32 C ATOM 4 O PRO A 21 -0.203 -15.750 4.152 1.00 4.31 O ATOM 5 CB PRO A 21 1.304 -12.924 4.540 1.00 4.92 C ATOM 6 CG PRO A 21 2.538 -13.624 4.973 1.00 5.41 C ATOM 7 CD PRO A 21 2.250 -14.162 6.354 1.00 6.18 C ATOM 0 HA PRO A 21 -0.507 -12.965 5.689 1.00 5.16 H new ATOM 0 HB2 PRO A 21 1.176 -12.967 3.458 1.00 4.92 H new ATOM 0 HB3 PRO A 21 1.321 -11.870 4.817 1.00 4.92 H new ATOM 0 HG2 PRO A 21 2.790 -14.431 4.285 1.00 5.41 H new ATOM 0 HG3 PRO A 21 3.388 -12.942 4.990 1.00 5.41 H new ATOM 0 HD2 PRO A 21 2.850 -15.047 6.566 1.00 6.18 H new ATOM 0 HD3 PRO A 21 2.486 -13.425 7.122 1.00 6.18 H new ATOM 16 N LEU A 22 -1.549 -14.033 3.633 1.00 4.14 N ATOM 17 CA LEU A 22 -2.334 -14.797 2.679 1.00 3.85 C ATOM 18 C LEU A 22 -2.193 -14.205 1.283 1.00 3.48 C ATOM 19 O LEU A 22 -2.458 -13.021 1.072 1.00 4.01 O ATOM 20 CB LEU A 22 -3.810 -14.815 3.093 1.00 4.67 C ATOM 21 CG LEU A 22 -4.400 -16.199 3.383 1.00 5.12 C ATOM 22 CD1 LEU A 22 -4.245 -17.115 2.178 1.00 5.71 C ATOM 23 CD2 LEU A 22 -3.744 -16.816 4.607 1.00 5.61 C ATOM 0 H LEU A 22 -1.843 -13.062 3.740 1.00 4.14 H new ATOM 0 HA LEU A 22 -1.960 -15.821 2.668 1.00 3.85 H new ATOM 0 HB2 LEU A 22 -3.927 -14.196 3.983 1.00 4.67 H new ATOM 0 HB3 LEU A 22 -4.396 -14.348 2.301 1.00 4.67 H new ATOM 0 HG LEU A 22 -5.464 -16.078 3.587 1.00 5.12 H new ATOM 0 HD11 LEU A 22 -4.671 -18.092 2.407 1.00 5.71 H new ATOM 0 HD12 LEU A 22 -4.766 -16.683 1.323 1.00 5.71 H new ATOM 0 HD13 LEU A 22 -3.187 -17.227 1.940 1.00 5.71 H new ATOM 0 HD21 LEU A 22 -4.177 -17.798 4.796 1.00 5.61 H new ATOM 0 HD22 LEU A 22 -2.673 -16.919 4.433 1.00 5.61 H new ATOM 0 HD23 LEU A 22 -3.911 -16.174 5.472 1.00 5.61 H new ATOM 35 N GLY A 23 -1.753 -15.024 0.340 1.00 3.17 N ATOM 36 CA GLY A 23 -1.679 -14.592 -1.044 1.00 3.45 C ATOM 37 C GLY A 23 -0.337 -13.991 -1.407 1.00 2.96 C ATOM 38 O GLY A 23 0.265 -14.362 -2.415 1.00 3.32 O ATOM 0 H GLY A 23 -1.445 -15.982 0.507 1.00 3.17 H new ATOM 0 HA2 GLY A 23 -1.877 -15.443 -1.695 1.00 3.45 H new ATOM 0 HA3 GLY A 23 -2.462 -13.858 -1.232 1.00 3.45 H new ATOM 42 N SER A 24 0.129 -13.052 -0.604 1.00 2.37 N ATOM 43 CA SER A 24 1.377 -12.375 -0.883 1.00 1.94 C ATOM 44 C SER A 24 2.503 -12.850 0.029 1.00 1.65 C ATOM 45 O SER A 24 2.313 -13.041 1.233 1.00 1.75 O ATOM 46 CB SER A 24 1.188 -10.875 -0.754 1.00 2.01 C ATOM 47 OG SER A 24 0.801 -10.508 0.561 1.00 2.44 O ATOM 0 H SER A 24 -0.340 -12.742 0.247 1.00 2.37 H new ATOM 0 HA SER A 24 1.667 -12.619 -1.905 1.00 1.94 H new ATOM 0 HB2 SER A 24 2.116 -10.367 -1.016 1.00 2.01 H new ATOM 0 HB3 SER A 24 0.431 -10.541 -1.463 1.00 2.01 H new ATOM 0 HG SER A 24 1.137 -9.610 0.762 1.00 2.44 H new ATOM 53 N GLU A 25 3.663 -13.076 -0.572 1.00 1.39 N ATOM 54 CA GLU A 25 4.878 -13.378 0.162 1.00 1.23 C ATOM 55 C GLU A 25 5.313 -12.192 1.019 1.00 1.05 C ATOM 56 O GLU A 25 5.273 -11.044 0.573 1.00 1.12 O ATOM 57 CB GLU A 25 6.000 -13.709 -0.817 1.00 1.48 C ATOM 58 CG GLU A 25 6.247 -15.188 -0.992 1.00 1.13 C ATOM 59 CD GLU A 25 7.221 -15.483 -2.115 1.00 1.28 C ATOM 60 OE1 GLU A 25 8.161 -14.685 -2.321 1.00 1.43 O ATOM 61 OE2 GLU A 25 7.059 -16.514 -2.795 1.00 1.64 O ATOM 0 H GLU A 25 3.785 -13.054 -1.584 1.00 1.39 H new ATOM 0 HA GLU A 25 4.675 -14.229 0.812 1.00 1.23 H new ATOM 0 HB2 GLU A 25 5.761 -13.274 -1.787 1.00 1.48 H new ATOM 0 HB3 GLU A 25 6.920 -13.236 -0.473 1.00 1.48 H new ATOM 0 HG2 GLU A 25 6.635 -15.601 -0.061 1.00 1.13 H new ATOM 0 HG3 GLU A 25 5.301 -15.690 -1.194 1.00 1.13 H new ATOM 68 N VAL A 26 5.729 -12.470 2.244 1.00 0.93 N ATOM 69 CA VAL A 26 6.308 -11.445 3.099 1.00 0.84 C ATOM 70 C VAL A 26 7.741 -11.823 3.474 1.00 0.83 C ATOM 71 O VAL A 26 8.484 -11.030 4.052 1.00 0.85 O ATOM 72 CB VAL A 26 5.455 -11.202 4.368 1.00 0.83 C ATOM 73 CG1 VAL A 26 5.758 -12.227 5.449 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.667 -9.790 4.886 1.00 0.83 C ATOM 0 H VAL A 26 5.677 -13.396 2.669 1.00 0.93 H new ATOM 0 HA VAL A 26 6.322 -10.511 2.538 1.00 0.84 H new ATOM 0 HB VAL A 26 4.406 -11.318 4.094 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.141 -12.025 6.325 1.00 0.93 H new ATOM 0 HG12 VAL A 26 5.540 -13.227 5.074 1.00 0.93 H new ATOM 0 HG13 VAL A 26 6.811 -12.165 5.725 1.00 0.93 H new ATOM 0 HG21 VAL A 26 5.060 -9.635 5.778 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.719 -9.647 5.133 1.00 0.83 H new ATOM 0 HG23 VAL A 26 5.374 -9.073 4.119 1.00 0.83 H new ATOM 84 N SER A 27 8.123 -13.047 3.125 1.00 0.91 N ATOM 85 CA SER A 27 9.470 -13.539 3.355 1.00 1.00 C ATOM 86 C SER A 27 9.854 -14.538 2.268 1.00 1.07 C ATOM 87 O SER A 27 9.077 -15.431 1.932 1.00 1.19 O ATOM 88 CB SER A 27 9.567 -14.208 4.728 1.00 1.15 C ATOM 89 OG SER A 27 8.579 -13.710 5.618 1.00 1.61 O ATOM 0 H SER A 27 7.505 -13.723 2.675 1.00 0.91 H new ATOM 0 HA SER A 27 10.157 -12.694 3.326 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.450 -15.286 4.618 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.558 -14.036 5.149 1.00 1.15 H new ATOM 0 HG SER A 27 8.665 -14.157 6.486 1.00 1.61 H new ATOM 95 N ASN A 28 11.040 -14.371 1.710 1.00 1.07 N ATOM 96 CA ASN A 28 11.543 -15.284 0.689 1.00 1.18 C ATOM 97 C ASN A 28 13.032 -15.535 0.891 1.00 1.23 C ATOM 98 O ASN A 28 13.804 -14.595 1.077 1.00 1.12 O ATOM 99 CB ASN A 28 11.282 -14.724 -0.713 1.00 1.19 C ATOM 100 CG ASN A 28 11.541 -15.743 -1.811 1.00 1.39 C ATOM 101 OD1 ASN A 28 12.678 -16.158 -2.040 1.00 1.60 O ATOM 102 ND2 ASN A 28 10.492 -16.144 -2.507 1.00 1.48 N ATOM 0 H ASN A 28 11.677 -13.610 1.945 1.00 1.07 H new ATOM 0 HA ASN A 28 11.013 -16.232 0.784 1.00 1.18 H new ATOM 0 HB2 ASN A 28 10.249 -14.383 -0.777 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.916 -13.852 -0.875 1.00 1.19 H new ATOM 0 HD21 ASN A 28 10.609 -16.819 -3.263 1.00 1.48 H new ATOM 0 HD22 ASN A 28 9.565 -15.778 -2.289 1.00 1.48 H new ATOM 109 N PRO A 29 13.449 -16.809 0.883 1.00 1.46 N ATOM 110 CA PRO A 29 14.856 -17.196 1.084 1.00 1.60 C ATOM 111 C PRO A 29 15.769 -16.757 -0.063 1.00 1.54 C ATOM 112 O PRO A 29 16.837 -16.185 0.160 1.00 1.54 O ATOM 113 CB PRO A 29 14.785 -18.727 1.142 1.00 1.87 C ATOM 114 CG PRO A 29 13.564 -19.070 0.369 1.00 1.86 C ATOM 115 CD PRO A 29 12.580 -17.990 0.695 1.00 1.65 C ATOM 0 HA PRO A 29 15.280 -16.726 1.972 1.00 1.60 H new ATOM 0 HB2 PRO A 29 15.673 -19.183 0.705 1.00 1.87 H new ATOM 0 HB3 PRO A 29 14.717 -19.083 2.170 1.00 1.87 H new ATOM 0 HG2 PRO A 29 13.771 -19.105 -0.701 1.00 1.86 H new ATOM 0 HG3 PRO A 29 13.181 -20.051 0.651 1.00 1.86 H new ATOM 0 HD2 PRO A 29 11.861 -17.840 -0.110 1.00 1.65 H new ATOM 0 HD3 PRO A 29 12.008 -18.220 1.594 1.00 1.65 H new ATOM 123 N SER A 30 15.333 -17.020 -1.290 1.00 1.57 N ATOM 124 CA SER A 30 16.144 -16.778 -2.470 1.00 1.63 C ATOM 125 C SER A 30 16.105 -15.310 -2.878 1.00 1.47 C ATOM 126 O SER A 30 16.997 -14.823 -3.572 1.00 1.58 O ATOM 127 CB SER A 30 15.625 -17.651 -3.605 1.00 1.81 C ATOM 128 OG SER A 30 15.315 -18.954 -3.140 1.00 2.18 O ATOM 0 H SER A 30 14.410 -17.406 -1.491 1.00 1.57 H new ATOM 0 HA SER A 30 17.181 -17.028 -2.245 1.00 1.63 H new ATOM 0 HB2 SER A 30 14.736 -17.196 -4.042 1.00 1.81 H new ATOM 0 HB3 SER A 30 16.374 -17.711 -4.395 1.00 1.81 H new ATOM 0 HG SER A 30 14.982 -19.497 -3.885 1.00 2.18 H new ATOM 134 N LYS A 31 15.061 -14.620 -2.454 1.00 1.28 N ATOM 135 CA LYS A 31 14.896 -13.207 -2.772 1.00 1.14 C ATOM 136 C LYS A 31 15.789 -12.340 -1.886 1.00 1.01 C ATOM 137 O LYS A 31 15.759 -12.465 -0.660 1.00 1.03 O ATOM 138 CB LYS A 31 13.437 -12.795 -2.592 1.00 1.14 C ATOM 139 CG LYS A 31 12.956 -11.770 -3.604 1.00 1.18 C ATOM 140 CD LYS A 31 11.474 -11.488 -3.436 1.00 1.26 C ATOM 141 CE LYS A 31 11.043 -10.275 -4.242 1.00 1.93 C ATOM 142 NZ LYS A 31 11.384 -9.003 -3.556 1.00 2.75 N ATOM 0 H LYS A 31 14.311 -15.014 -1.886 1.00 1.28 H new ATOM 0 HA LYS A 31 15.189 -13.057 -3.811 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.808 -13.683 -2.662 1.00 1.14 H new ATOM 0 HB3 LYS A 31 13.306 -12.390 -1.589 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.521 -10.845 -3.486 1.00 1.18 H new ATOM 0 HG3 LYS A 31 13.148 -12.134 -4.613 1.00 1.18 H new ATOM 0 HD2 LYS A 31 10.899 -12.359 -3.751 1.00 1.26 H new ATOM 0 HD3 LYS A 31 11.251 -11.324 -2.382 1.00 1.26 H new ATOM 0 HE2 LYS A 31 11.524 -10.300 -5.220 1.00 1.93 H new ATOM 0 HE3 LYS A 31 9.968 -10.317 -4.414 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 10.515 -8.461 -3.377 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 11.855 -9.211 -2.652 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 12.022 -8.444 -4.158 1.00 2.75 H new ATOM 156 N PRO A 32 16.601 -11.457 -2.492 1.00 0.99 N ATOM 157 CA PRO A 32 17.462 -10.547 -1.745 1.00 0.97 C ATOM 158 C PRO A 32 16.668 -9.439 -1.069 1.00 0.85 C ATOM 159 O PRO A 32 15.602 -9.039 -1.542 1.00 0.89 O ATOM 160 CB PRO A 32 18.411 -9.952 -2.798 1.00 1.14 C ATOM 161 CG PRO A 32 18.107 -10.653 -4.083 1.00 1.38 C ATOM 162 CD PRO A 32 16.748 -11.280 -3.943 1.00 1.13 C ATOM 0 HA PRO A 32 17.988 -11.069 -0.945 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.258 -8.877 -2.896 1.00 1.14 H new ATOM 0 HB3 PRO A 32 19.452 -10.101 -2.511 1.00 1.14 H new ATOM 0 HG2 PRO A 32 18.121 -9.950 -4.916 1.00 1.38 H new ATOM 0 HG3 PRO A 32 18.860 -11.412 -4.293 1.00 1.38 H new ATOM 0 HD2 PRO A 32 15.966 -10.639 -4.351 1.00 1.13 H new ATOM 0 HD3 PRO A 32 16.688 -12.231 -4.472 1.00 1.13 H new ATOM 170 N GLY A 33 17.198 -8.955 0.036 1.00 0.83 N ATOM 171 CA GLY A 33 16.556 -7.896 0.777 1.00 0.79 C ATOM 172 C GLY A 33 17.575 -7.076 1.524 1.00 0.76 C ATOM 173 O GLY A 33 18.232 -7.579 2.435 1.00 0.97 O ATOM 0 H GLY A 33 18.076 -9.282 0.440 1.00 0.83 H new ATOM 0 HA2 GLY A 33 15.996 -7.256 0.095 1.00 0.79 H new ATOM 0 HA3 GLY A 33 15.838 -8.320 1.479 1.00 0.79 H new ATOM 177 N ARG A 34 17.731 -5.827 1.132 1.00 0.81 N ATOM 178 CA ARG A 34 18.747 -4.972 1.721 1.00 0.79 C ATOM 179 C ARG A 34 18.111 -3.703 2.264 1.00 0.79 C ATOM 180 O ARG A 34 16.993 -3.352 1.890 1.00 0.97 O ATOM 181 CB ARG A 34 19.825 -4.635 0.686 1.00 0.82 C ATOM 182 CG ARG A 34 20.347 -5.853 -0.070 1.00 1.24 C ATOM 183 CD ARG A 34 21.865 -5.835 -0.212 1.00 1.04 C ATOM 184 NE ARG A 34 22.361 -4.519 -0.605 1.00 0.98 N ATOM 185 CZ ARG A 34 23.406 -4.306 -1.404 1.00 1.43 C ATOM 186 NH1 ARG A 34 24.100 -5.320 -1.903 1.00 1.93 N ATOM 187 NH2 ARG A 34 23.755 -3.062 -1.696 1.00 1.56 N ATOM 0 H ARG A 34 17.168 -5.380 0.408 1.00 0.81 H new ATOM 0 HA ARG A 34 19.220 -5.504 2.547 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.419 -3.920 -0.030 1.00 0.82 H new ATOM 0 HB3 ARG A 34 20.659 -4.145 1.188 1.00 0.82 H new ATOM 0 HG2 ARG A 34 20.043 -6.760 0.452 1.00 1.24 H new ATOM 0 HG3 ARG A 34 19.891 -5.887 -1.060 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.321 -6.127 0.734 1.00 1.04 H new ATOM 0 HD3 ARG A 34 22.169 -6.574 -0.954 1.00 1.04 H new ATOM 0 HE ARG A 34 21.871 -3.702 -0.241 1.00 0.98 H new ATOM 0 HH11 ARG A 34 23.836 -6.279 -1.677 1.00 1.93 H new ATOM 0 HH12 ARG A 34 24.897 -5.141 -2.513 1.00 1.93 H new ATOM 0 HH21 ARG A 34 23.226 -2.280 -1.310 1.00 1.56 H new ATOM 0 HH22 ARG A 34 24.553 -2.886 -2.306 1.00 1.56 H new ATOM 201 N LYS A 35 18.805 -3.040 3.169 1.00 0.80 N ATOM 202 CA LYS A 35 18.310 -1.808 3.749 1.00 0.82 C ATOM 203 C LYS A 35 18.941 -0.595 3.075 1.00 0.77 C ATOM 204 O LYS A 35 19.935 -0.043 3.556 1.00 0.93 O ATOM 205 CB LYS A 35 18.575 -1.785 5.259 1.00 0.87 C ATOM 206 CG LYS A 35 19.883 -2.446 5.691 1.00 1.42 C ATOM 207 CD LYS A 35 20.917 -1.427 6.151 1.00 1.71 C ATOM 208 CE LYS A 35 20.426 -0.610 7.336 1.00 1.85 C ATOM 209 NZ LYS A 35 20.694 0.840 7.153 1.00 2.64 N ATOM 0 H LYS A 35 19.716 -3.336 3.519 1.00 0.80 H new ATOM 0 HA LYS A 35 17.234 -1.762 3.584 1.00 0.82 H new ATOM 0 HB2 LYS A 35 18.579 -0.749 5.597 1.00 0.87 H new ATOM 0 HB3 LYS A 35 17.748 -2.282 5.766 1.00 0.87 H new ATOM 0 HG2 LYS A 35 19.683 -3.149 6.500 1.00 1.42 H new ATOM 0 HG3 LYS A 35 20.289 -3.023 4.860 1.00 1.42 H new ATOM 0 HD2 LYS A 35 21.838 -1.943 6.423 1.00 1.71 H new ATOM 0 HD3 LYS A 35 21.159 -0.758 5.325 1.00 1.71 H new ATOM 0 HE2 LYS A 35 19.356 -0.768 7.469 1.00 1.85 H new ATOM 0 HE3 LYS A 35 20.915 -0.958 8.246 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 20.970 1.260 8.064 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 21.464 0.967 6.466 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 19.836 1.310 6.801 1.00 2.64 H new ATOM 223 N THR A 36 18.371 -0.180 1.955 1.00 0.59 N ATOM 224 CA THR A 36 18.889 0.965 1.236 1.00 0.54 C ATOM 225 C THR A 36 18.163 2.243 1.630 1.00 0.46 C ATOM 226 O THR A 36 17.207 2.215 2.414 1.00 0.46 O ATOM 227 CB THR A 36 18.788 0.793 -0.286 1.00 0.56 C ATOM 228 OG1 THR A 36 17.456 1.091 -0.730 1.00 0.54 O ATOM 229 CG2 THR A 36 19.156 -0.619 -0.709 1.00 0.68 C ATOM 0 H THR A 36 17.554 -0.618 1.529 1.00 0.59 H new ATOM 0 HA THR A 36 19.941 1.039 1.512 1.00 0.54 H new ATOM 0 HB THR A 36 19.493 1.486 -0.745 1.00 0.56 H new ATOM 0 HG1 THR A 36 17.408 1.001 -1.705 1.00 0.54 H new ATOM 0 HG21 THR A 36 19.074 -0.707 -1.792 1.00 0.68 H new ATOM 0 HG22 THR A 36 20.180 -0.835 -0.404 1.00 0.68 H new ATOM 0 HG23 THR A 36 18.478 -1.329 -0.235 1.00 0.68 H new ATOM 237 N ASN A 37 18.619 3.357 1.072 1.00 0.42 N ATOM 238 CA ASN A 37 18.037 4.658 1.354 1.00 0.40 C ATOM 239 C ASN A 37 16.596 4.712 0.888 1.00 0.33 C ATOM 240 O ASN A 37 15.707 5.000 1.678 1.00 0.33 O ATOM 241 CB ASN A 37 18.840 5.775 0.680 1.00 0.48 C ATOM 242 CG ASN A 37 18.652 7.114 1.371 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.218 7.176 2.522 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.979 8.196 0.679 1.00 0.78 N ATOM 0 H ASN A 37 19.399 3.382 0.415 1.00 0.42 H new ATOM 0 HA ASN A 37 18.067 4.808 2.433 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.898 5.512 0.683 1.00 0.48 H new ATOM 0 HB3 ASN A 37 18.535 5.860 -0.363 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.874 9.120 1.098 1.00 0.78 H new ATOM 0 HD22 ASN A 37 19.335 8.105 -0.272 1.00 0.78 H new ATOM 251 N GLN A 38 16.367 4.408 -0.390 1.00 0.33 N ATOM 252 CA GLN A 38 15.025 4.466 -0.965 1.00 0.31 C ATOM 253 C GLN A 38 14.056 3.579 -0.189 1.00 0.26 C ATOM 254 O GLN A 38 12.907 3.958 0.050 1.00 0.25 O ATOM 255 CB GLN A 38 15.050 4.038 -2.434 1.00 0.36 C ATOM 256 CG GLN A 38 14.451 5.068 -3.378 1.00 0.46 C ATOM 257 CD GLN A 38 14.563 4.663 -4.835 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.915 3.717 -5.283 1.00 1.04 O ATOM 259 NE2 GLN A 38 15.377 5.387 -5.585 1.00 0.55 N ATOM 0 H GLN A 38 17.094 4.119 -1.045 1.00 0.33 H new ATOM 0 HA GLN A 38 14.682 5.498 -0.899 1.00 0.31 H new ATOM 0 HB2 GLN A 38 16.081 3.843 -2.729 1.00 0.36 H new ATOM 0 HB3 GLN A 38 14.505 3.100 -2.540 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.401 5.218 -3.127 1.00 0.46 H new ATOM 0 HG3 GLN A 38 14.953 6.024 -3.232 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.895 6.163 -5.173 1.00 0.55 H new ATOM 0 HE22 GLN A 38 15.486 5.170 -6.576 1.00 0.55 H new ATOM 268 N LEU A 39 14.534 2.407 0.216 1.00 0.28 N ATOM 269 CA LEU A 39 13.718 1.459 0.962 1.00 0.31 C ATOM 270 C LEU A 39 13.237 2.059 2.279 1.00 0.29 C ATOM 271 O LEU A 39 12.033 2.169 2.526 1.00 0.30 O ATOM 272 CB LEU A 39 14.509 0.183 1.245 1.00 0.38 C ATOM 273 CG LEU A 39 13.777 -0.848 2.101 1.00 0.45 C ATOM 274 CD1 LEU A 39 13.327 -2.016 1.247 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.659 -1.327 3.243 1.00 0.80 C ATOM 0 H LEU A 39 15.487 2.091 0.038 1.00 0.28 H new ATOM 0 HA LEU A 39 12.848 1.220 0.350 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.778 -0.279 0.295 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.440 0.453 1.743 1.00 0.38 H new ATOM 0 HG LEU A 39 12.896 -0.373 2.532 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.807 -2.743 1.870 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.654 -1.659 0.467 1.00 0.63 H new ATOM 0 HD13 LEU A 39 14.196 -2.487 0.788 1.00 0.63 H new ATOM 0 HD21 LEU A 39 14.116 -2.061 3.839 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.562 -1.785 2.838 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.932 -0.480 3.872 1.00 0.80 H new ATOM 287 N GLN A 40 14.185 2.457 3.116 1.00 0.29 N ATOM 288 CA GLN A 40 13.869 3.000 4.429 1.00 0.30 C ATOM 289 C GLN A 40 13.209 4.372 4.302 1.00 0.26 C ATOM 290 O GLN A 40 12.447 4.792 5.179 1.00 0.28 O ATOM 291 CB GLN A 40 15.136 3.092 5.282 1.00 0.36 C ATOM 292 CG GLN A 40 15.798 1.746 5.530 1.00 0.42 C ATOM 293 CD GLN A 40 16.620 1.724 6.804 1.00 0.72 C ATOM 294 OE1 GLN A 40 17.813 1.410 6.786 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.993 2.059 7.922 1.00 0.83 N ATOM 0 H GLN A 40 15.183 2.414 2.908 1.00 0.29 H new ATOM 0 HA GLN A 40 13.165 2.328 4.920 1.00 0.30 H new ATOM 0 HB2 GLN A 40 15.849 3.754 4.790 1.00 0.36 H new ATOM 0 HB3 GLN A 40 14.887 3.548 6.240 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.031 0.973 5.584 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.440 1.500 4.684 1.00 0.42 H new ATOM 0 HE21 GLN A 40 15.005 2.313 7.896 1.00 0.83 H new ATOM 0 HE22 GLN A 40 16.498 2.063 8.808 1.00 0.83 H new ATOM 304 N TYR A 41 13.506 5.056 3.201 1.00 0.25 N ATOM 305 CA TYR A 41 12.914 6.343 2.908 1.00 0.24 C ATOM 306 C TYR A 41 11.405 6.224 2.788 1.00 0.22 C ATOM 307 O TYR A 41 10.677 6.790 3.592 1.00 0.23 O ATOM 308 CB TYR A 41 13.492 6.915 1.614 1.00 0.24 C ATOM 309 CG TYR A 41 13.111 8.348 1.372 1.00 0.31 C ATOM 310 CD1 TYR A 41 13.888 9.382 1.868 1.00 0.42 C ATOM 311 CD2 TYR A 41 11.970 8.669 0.651 1.00 0.32 C ATOM 312 CE1 TYR A 41 13.539 10.699 1.658 1.00 0.52 C ATOM 313 CE2 TYR A 41 11.610 9.981 0.436 1.00 0.44 C ATOM 314 CZ TYR A 41 12.399 10.995 0.940 1.00 0.53 C ATOM 315 OH TYR A 41 12.046 12.310 0.731 1.00 0.64 O ATOM 0 H TYR A 41 14.163 4.729 2.493 1.00 0.25 H new ATOM 0 HA TYR A 41 13.149 7.018 3.731 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.579 6.836 1.644 1.00 0.24 H new ATOM 0 HB3 TYR A 41 13.152 6.310 0.774 1.00 0.24 H new ATOM 0 HD1 TYR A 41 14.782 9.153 2.429 1.00 0.42 H new ATOM 0 HD2 TYR A 41 11.354 7.877 0.252 1.00 0.32 H new ATOM 0 HE1 TYR A 41 14.154 11.494 2.053 1.00 0.52 H new ATOM 0 HE2 TYR A 41 10.716 10.215 -0.123 1.00 0.44 H new ATOM 0 HH TYR A 41 12.446 12.627 -0.105 1.00 0.64 H new ATOM 325 N MET A 42 10.934 5.459 1.809 1.00 0.20 N ATOM 326 CA MET A 42 9.510 5.386 1.531 1.00 0.20 C ATOM 327 C MET A 42 8.755 4.847 2.743 1.00 0.21 C ATOM 328 O MET A 42 7.608 5.220 2.986 1.00 0.22 O ATOM 329 CB MET A 42 9.255 4.510 0.293 1.00 0.23 C ATOM 330 CG MET A 42 7.856 3.915 0.223 1.00 0.80 C ATOM 331 SD MET A 42 7.017 4.285 -1.329 1.00 1.07 S ATOM 332 CE MET A 42 7.679 2.995 -2.376 1.00 1.13 C ATOM 0 H MET A 42 11.516 4.885 1.199 1.00 0.20 H new ATOM 0 HA MET A 42 9.142 6.391 1.323 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.428 5.108 -0.602 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.983 3.699 0.280 1.00 0.23 H new ATOM 0 HG2 MET A 42 7.919 2.834 0.348 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.261 4.298 1.053 1.00 0.80 H new ATOM 0 HE1 MET A 42 6.918 2.680 -3.090 1.00 1.13 H new ATOM 0 HE2 MET A 42 8.548 3.374 -2.915 1.00 1.13 H new ATOM 0 HE3 MET A 42 7.975 2.144 -1.762 1.00 1.13 H new ATOM 342 N GLN A 43 9.426 3.997 3.513 1.00 0.24 N ATOM 343 CA GLN A 43 8.847 3.429 4.722 1.00 0.30 C ATOM 344 C GLN A 43 8.453 4.532 5.707 1.00 0.30 C ATOM 345 O GLN A 43 7.297 4.627 6.116 1.00 0.33 O ATOM 346 CB GLN A 43 9.844 2.462 5.371 1.00 0.42 C ATOM 347 CG GLN A 43 9.486 2.050 6.791 1.00 0.84 C ATOM 348 CD GLN A 43 10.653 1.402 7.507 1.00 0.76 C ATOM 349 OE1 GLN A 43 11.141 1.911 8.515 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.111 0.276 6.988 1.00 0.54 N ATOM 0 H GLN A 43 10.378 3.686 3.318 1.00 0.24 H new ATOM 0 HA GLN A 43 7.944 2.881 4.452 1.00 0.30 H new ATOM 0 HB2 GLN A 43 9.918 1.567 4.754 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.830 2.926 5.378 1.00 0.42 H new ATOM 0 HG2 GLN A 43 9.159 2.926 7.351 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.646 1.356 6.766 1.00 0.84 H new ATOM 0 HE21 GLN A 43 10.678 -0.113 6.151 1.00 0.54 H new ATOM 0 HE22 GLN A 43 11.898 -0.204 7.425 1.00 0.54 H new ATOM 359 N ASN A 44 9.414 5.369 6.071 1.00 0.30 N ATOM 360 CA ASN A 44 9.181 6.409 7.068 1.00 0.33 C ATOM 361 C ASN A 44 8.618 7.675 6.446 1.00 0.31 C ATOM 362 O ASN A 44 7.891 8.428 7.091 1.00 0.34 O ATOM 363 CB ASN A 44 10.476 6.740 7.811 1.00 0.37 C ATOM 364 CG ASN A 44 10.925 5.622 8.728 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.436 5.490 9.850 1.00 0.50 O ATOM 366 ND2 ASN A 44 11.866 4.815 8.263 1.00 0.47 N ATOM 0 H ASN A 44 10.361 5.350 5.693 1.00 0.30 H new ATOM 0 HA ASN A 44 8.445 6.018 7.771 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.263 6.948 7.086 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.333 7.649 8.396 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.212 4.049 8.841 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.245 4.959 7.327 1.00 0.47 H new ATOM 373 N VAL A 45 8.978 7.928 5.207 1.00 0.27 N ATOM 374 CA VAL A 45 8.592 9.158 4.547 1.00 0.27 C ATOM 375 C VAL A 45 7.246 9.043 3.846 1.00 0.24 C ATOM 376 O VAL A 45 6.321 9.789 4.143 1.00 0.28 O ATOM 377 CB VAL A 45 9.647 9.580 3.518 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.184 10.803 2.756 1.00 0.29 C ATOM 379 CG2 VAL A 45 10.984 9.826 4.192 1.00 0.30 C ATOM 0 H VAL A 45 9.539 7.297 4.634 1.00 0.27 H new ATOM 0 HA VAL A 45 8.510 9.911 5.331 1.00 0.27 H new ATOM 0 HB VAL A 45 9.779 8.768 2.803 1.00 0.26 H new ATOM 0 HG11 VAL A 45 9.945 11.089 2.030 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.253 10.577 2.236 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.020 11.625 3.453 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.719 10.124 3.444 1.00 0.30 H new ATOM 0 HG22 VAL A 45 10.878 10.618 4.933 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.317 8.912 4.684 1.00 0.30 H new ATOM 389 N VAL A 46 7.130 8.095 2.932 1.00 0.19 N ATOM 390 CA VAL A 46 5.967 8.042 2.060 1.00 0.19 C ATOM 391 C VAL A 46 4.770 7.399 2.754 1.00 0.19 C ATOM 392 O VAL A 46 3.779 8.075 3.038 1.00 0.19 O ATOM 393 CB VAL A 46 6.275 7.290 0.749 1.00 0.20 C ATOM 394 CG1 VAL A 46 5.065 7.298 -0.172 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.480 7.905 0.049 1.00 0.22 C ATOM 0 H VAL A 46 7.818 7.359 2.774 1.00 0.19 H new ATOM 0 HA VAL A 46 5.713 9.074 1.818 1.00 0.19 H new ATOM 0 HB VAL A 46 6.511 6.255 0.997 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.304 6.762 -1.091 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.226 6.810 0.325 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.797 8.327 -0.411 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.682 7.361 -0.874 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.272 8.949 -0.184 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.350 7.845 0.703 1.00 0.22 H new ATOM 405 N VAL A 47 4.870 6.109 3.058 1.00 0.20 N ATOM 406 CA VAL A 47 3.723 5.381 3.597 1.00 0.23 C ATOM 407 C VAL A 47 3.405 5.819 5.029 1.00 0.23 C ATOM 408 O VAL A 47 2.239 5.879 5.413 1.00 0.25 O ATOM 409 CB VAL A 47 3.903 3.836 3.516 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.302 3.412 3.914 1.00 0.70 C ATOM 411 CG2 VAL A 47 2.860 3.102 4.358 1.00 0.83 C ATOM 0 H VAL A 47 5.717 5.552 2.944 1.00 0.20 H new ATOM 0 HA VAL A 47 2.872 5.636 2.965 1.00 0.23 H new ATOM 0 HB VAL A 47 3.752 3.557 2.473 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.387 2.328 3.844 1.00 0.70 H new ATOM 0 HG12 VAL A 47 6.027 3.877 3.246 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.500 3.726 4.939 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.018 2.027 4.276 1.00 0.83 H new ATOM 0 HG22 VAL A 47 2.956 3.405 5.401 1.00 0.83 H new ATOM 0 HG23 VAL A 47 1.862 3.351 3.998 1.00 0.83 H new ATOM 421 N LYS A 48 4.426 6.160 5.809 1.00 0.26 N ATOM 422 CA LYS A 48 4.206 6.602 7.181 1.00 0.30 C ATOM 423 C LYS A 48 3.433 7.922 7.230 1.00 0.28 C ATOM 424 O LYS A 48 2.627 8.141 8.135 1.00 0.33 O ATOM 425 CB LYS A 48 5.533 6.744 7.919 1.00 0.36 C ATOM 426 CG LYS A 48 5.656 5.829 9.129 1.00 0.53 C ATOM 427 CD LYS A 48 6.361 6.519 10.288 1.00 1.25 C ATOM 428 CE LYS A 48 7.353 5.590 10.974 1.00 1.79 C ATOM 429 NZ LYS A 48 6.875 5.131 12.306 1.00 2.40 N ATOM 0 H LYS A 48 5.404 6.139 5.519 1.00 0.26 H new ATOM 0 HA LYS A 48 3.604 5.841 7.677 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.349 6.531 7.228 1.00 0.36 H new ATOM 0 HB3 LYS A 48 5.651 7.778 8.242 1.00 0.36 H new ATOM 0 HG2 LYS A 48 4.663 5.509 9.446 1.00 0.53 H new ATOM 0 HG3 LYS A 48 6.207 4.930 8.851 1.00 0.53 H new ATOM 0 HD2 LYS A 48 6.883 7.403 9.922 1.00 1.25 H new ATOM 0 HD3 LYS A 48 5.622 6.862 11.012 1.00 1.25 H new ATOM 0 HE2 LYS A 48 7.534 4.724 10.338 1.00 1.79 H new ATOM 0 HE3 LYS A 48 8.307 6.104 11.091 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 7.585 4.502 12.732 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 6.727 5.954 12.924 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 5.978 4.616 12.195 1.00 2.40 H new ATOM 443 N THR A 49 3.673 8.801 6.261 1.00 0.23 N ATOM 444 CA THR A 49 2.937 10.059 6.191 1.00 0.24 C ATOM 445 C THR A 49 1.536 9.830 5.623 1.00 0.22 C ATOM 446 O THR A 49 0.567 10.421 6.095 1.00 0.24 O ATOM 447 CB THR A 49 3.678 11.122 5.351 1.00 0.28 C ATOM 448 OG1 THR A 49 5.031 11.242 5.807 1.00 0.55 O ATOM 449 CG2 THR A 49 2.994 12.477 5.457 1.00 0.52 C ATOM 0 H THR A 49 4.363 8.668 5.522 1.00 0.23 H new ATOM 0 HA THR A 49 2.857 10.439 7.210 1.00 0.24 H new ATOM 0 HB THR A 49 3.661 10.802 4.309 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.643 10.997 5.082 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.537 13.207 4.856 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.970 12.397 5.093 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.985 12.800 6.498 1.00 0.52 H new ATOM 457 N LEU A 50 1.433 8.953 4.626 1.00 0.20 N ATOM 458 CA LEU A 50 0.135 8.584 4.068 1.00 0.21 C ATOM 459 C LEU A 50 -0.738 7.957 5.154 1.00 0.20 C ATOM 460 O LEU A 50 -1.940 8.198 5.223 1.00 0.21 O ATOM 461 CB LEU A 50 0.312 7.600 2.897 1.00 0.24 C ATOM 462 CG LEU A 50 -0.607 7.815 1.680 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.202 6.495 1.214 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.712 8.808 2.001 1.00 0.29 C ATOM 0 H LEU A 50 2.229 8.487 4.190 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.353 9.483 3.693 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.347 7.654 2.558 1.00 0.24 H new ATOM 0 HB3 LEU A 50 0.152 6.589 3.272 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.001 8.226 0.873 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.848 6.671 0.354 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.399 5.813 0.932 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.786 6.054 2.022 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.347 8.942 1.125 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.312 8.430 2.829 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.271 9.765 2.279 1.00 0.29 H new ATOM 476 N TRP A 51 -0.103 7.169 6.012 1.00 0.22 N ATOM 477 CA TRP A 51 -0.774 6.518 7.128 1.00 0.24 C ATOM 478 C TRP A 51 -1.388 7.539 8.085 1.00 0.26 C ATOM 479 O TRP A 51 -2.392 7.267 8.737 1.00 0.29 O ATOM 480 CB TRP A 51 0.229 5.641 7.882 1.00 0.27 C ATOM 481 CG TRP A 51 -0.405 4.610 8.762 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.896 4.804 10.019 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.609 3.226 8.458 1.00 0.29 C ATOM 484 NE1 TRP A 51 -1.403 3.629 10.513 1.00 0.32 N ATOM 485 CE2 TRP A 51 -1.236 2.643 9.575 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.325 2.424 7.349 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.584 1.296 9.615 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.669 1.087 7.390 1.00 0.37 C ATOM 489 CH2 TRP A 51 -1.294 0.534 8.515 1.00 0.39 C ATOM 0 H TRP A 51 0.894 6.963 5.953 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.582 5.904 6.730 1.00 0.24 H new ATOM 0 HB2 TRP A 51 0.873 5.140 7.159 1.00 0.27 H new ATOM 0 HB3 TRP A 51 0.869 6.280 8.491 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.887 5.745 10.548 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.834 3.508 11.429 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.155 2.842 6.476 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -2.065 0.868 10.482 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.452 0.457 6.540 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.552 -0.515 8.515 1.00 0.39 H new ATOM 500 N LYS A 52 -0.791 8.720 8.155 1.00 0.27 N ATOM 501 CA LYS A 52 -1.211 9.725 9.122 1.00 0.29 C ATOM 502 C LYS A 52 -2.248 10.682 8.539 1.00 0.30 C ATOM 503 O LYS A 52 -2.458 11.777 9.066 1.00 0.45 O ATOM 504 CB LYS A 52 -0.007 10.504 9.628 1.00 0.33 C ATOM 505 CG LYS A 52 0.629 9.893 10.864 1.00 0.48 C ATOM 506 CD LYS A 52 1.851 10.679 11.309 1.00 1.13 C ATOM 507 CE LYS A 52 3.054 10.393 10.425 1.00 1.74 C ATOM 508 NZ LYS A 52 3.565 11.625 9.772 1.00 2.24 N ATOM 0 H LYS A 52 -0.017 9.006 7.556 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.679 9.200 9.955 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.739 10.562 8.835 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.313 11.526 9.853 1.00 0.33 H new ATOM 0 HG2 LYS A 52 -0.101 9.864 11.673 1.00 0.48 H new ATOM 0 HG3 LYS A 52 0.915 8.862 10.655 1.00 0.48 H new ATOM 0 HD2 LYS A 52 1.627 11.745 11.285 1.00 1.13 H new ATOM 0 HD3 LYS A 52 2.090 10.427 12.342 1.00 1.13 H new ATOM 0 HE2 LYS A 52 3.846 9.944 11.024 1.00 1.74 H new ATOM 0 HE3 LYS A 52 2.779 9.665 9.662 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 4.385 11.388 9.178 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 2.817 12.040 9.180 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 3.851 12.311 10.500 1.00 2.24 H new ATOM 522 N HIS A 53 -2.891 10.275 7.455 1.00 0.25 N ATOM 523 CA HIS A 53 -3.964 11.066 6.868 1.00 0.26 C ATOM 524 C HIS A 53 -5.300 10.674 7.490 1.00 0.31 C ATOM 525 O HIS A 53 -5.572 9.494 7.704 1.00 0.35 O ATOM 526 CB HIS A 53 -4.009 10.874 5.350 1.00 0.24 C ATOM 527 CG HIS A 53 -4.764 11.948 4.622 1.00 0.27 C ATOM 528 ND1 HIS A 53 -6.042 11.739 4.173 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.372 13.197 4.271 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.397 12.850 3.555 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.418 13.766 3.588 1.00 0.39 N ATOM 0 H HIS A 53 -2.690 9.404 6.964 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.772 12.119 7.074 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.989 10.838 4.968 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.466 9.909 5.129 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.419 13.657 4.487 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.356 13.002 3.082 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.445 14.702 3.184 1.00 0.39 H new ATOM 539 N GLN A 54 -6.136 11.667 7.762 1.00 0.42 N ATOM 540 CA GLN A 54 -7.406 11.439 8.447 1.00 0.54 C ATOM 541 C GLN A 54 -8.412 10.709 7.560 1.00 0.42 C ATOM 542 O GLN A 54 -9.470 10.300 8.027 1.00 0.47 O ATOM 543 CB GLN A 54 -7.999 12.766 8.924 1.00 0.79 C ATOM 544 CG GLN A 54 -7.632 13.116 10.359 1.00 1.09 C ATOM 545 CD GLN A 54 -7.483 11.889 11.237 1.00 1.24 C ATOM 546 OE1 GLN A 54 -8.470 11.279 11.650 1.00 1.91 O ATOM 547 NE2 GLN A 54 -6.249 11.522 11.535 1.00 1.21 N ATOM 0 H GLN A 54 -5.959 12.642 7.519 1.00 0.42 H new ATOM 0 HA GLN A 54 -7.199 10.803 9.308 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.658 13.565 8.265 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -9.085 12.722 8.836 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -6.698 13.678 10.365 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -8.399 13.767 10.778 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -5.457 12.054 11.173 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -6.088 10.707 12.127 1.00 1.21 H new ATOM 556 N PHE A 55 -8.086 10.553 6.286 1.00 0.36 N ATOM 557 CA PHE A 55 -8.952 9.829 5.364 1.00 0.31 C ATOM 558 C PHE A 55 -8.344 8.472 5.014 1.00 0.27 C ATOM 559 O PHE A 55 -8.939 7.682 4.286 1.00 0.29 O ATOM 560 CB PHE A 55 -9.175 10.652 4.092 1.00 0.36 C ATOM 561 CG PHE A 55 -10.431 11.484 4.101 1.00 0.45 C ATOM 562 CD1 PHE A 55 -11.103 11.722 5.290 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.940 12.027 2.930 1.00 0.73 C ATOM 564 CE1 PHE A 55 -12.254 12.485 5.312 1.00 0.76 C ATOM 565 CE2 PHE A 55 -12.094 12.790 2.949 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.751 13.019 4.097 1.00 0.86 C ATOM 0 H PHE A 55 -7.230 10.917 5.866 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.914 9.663 5.849 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.319 11.310 3.945 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.208 9.976 3.238 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.722 11.306 6.211 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.430 11.852 1.994 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.769 12.672 6.243 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.472 13.207 2.027 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.656 13.609 4.095 1.00 0.86 H new ATOM 576 N ALA A 56 -7.163 8.198 5.557 1.00 0.25 N ATOM 577 CA ALA A 56 -6.451 6.955 5.266 1.00 0.25 C ATOM 578 C ALA A 56 -6.793 5.881 6.285 1.00 0.26 C ATOM 579 O ALA A 56 -6.285 4.761 6.228 1.00 0.28 O ATOM 580 CB ALA A 56 -4.951 7.201 5.255 1.00 0.28 C ATOM 0 H ALA A 56 -6.676 8.820 6.202 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.764 6.607 4.282 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.431 6.268 5.037 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.709 7.939 4.490 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.636 7.573 6.230 1.00 0.28 H new ATOM 586 N TRP A 57 -7.683 6.229 7.200 1.00 0.30 N ATOM 587 CA TRP A 57 -8.016 5.357 8.327 1.00 0.34 C ATOM 588 C TRP A 57 -8.674 4.015 7.927 1.00 0.35 C ATOM 589 O TRP A 57 -8.444 3.014 8.609 1.00 0.40 O ATOM 590 CB TRP A 57 -8.870 6.099 9.370 1.00 0.37 C ATOM 591 CG TRP A 57 -10.251 6.461 8.920 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.620 7.571 8.219 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.452 5.712 9.150 1.00 0.42 C ATOM 594 NE1 TRP A 57 -11.975 7.566 8.007 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.509 6.433 8.565 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.735 4.501 9.793 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -13.826 5.984 8.606 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.042 4.057 9.829 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.072 4.796 9.239 1.00 0.58 C ATOM 0 H TRP A 57 -8.193 7.112 7.189 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.058 5.089 8.773 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -8.947 5.477 10.262 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.349 7.011 9.661 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -9.944 8.342 7.880 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.500 8.288 7.514 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -10.946 3.925 10.252 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.625 6.553 8.154 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.272 3.124 10.321 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.084 4.421 9.284 1.00 0.58 H new ATOM 610 N PRO A 58 -9.495 3.925 6.846 1.00 0.34 N ATOM 611 CA PRO A 58 -10.092 2.645 6.446 1.00 0.40 C ATOM 612 C PRO A 58 -9.084 1.714 5.779 1.00 0.36 C ATOM 613 O PRO A 58 -9.396 0.561 5.483 1.00 0.45 O ATOM 614 CB PRO A 58 -11.191 3.037 5.447 1.00 0.47 C ATOM 615 CG PRO A 58 -11.279 4.524 5.491 1.00 0.40 C ATOM 616 CD PRO A 58 -9.939 5.008 5.954 1.00 0.32 C ATOM 0 HA PRO A 58 -10.465 2.097 7.311 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.946 2.691 4.443 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.144 2.582 5.718 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.521 4.929 4.508 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.066 4.847 6.172 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.251 5.154 5.121 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.012 5.961 6.479 1.00 0.32 H new ATOM 624 N PHE A 59 -7.872 2.213 5.561 1.00 0.31 N ATOM 625 CA PHE A 59 -6.838 1.446 4.881 1.00 0.31 C ATOM 626 C PHE A 59 -5.859 0.864 5.895 1.00 0.31 C ATOM 627 O PHE A 59 -4.871 0.232 5.527 1.00 0.52 O ATOM 628 CB PHE A 59 -6.079 2.328 3.885 1.00 0.36 C ATOM 629 CG PHE A 59 -6.925 2.910 2.785 1.00 0.47 C ATOM 630 CD1 PHE A 59 -7.672 4.056 3.004 1.00 0.68 C ATOM 631 CD2 PHE A 59 -6.990 2.301 1.543 1.00 0.92 C ATOM 632 CE1 PHE A 59 -8.464 4.587 2.003 1.00 0.87 C ATOM 633 CE2 PHE A 59 -7.779 2.826 0.538 1.00 1.11 C ATOM 634 CZ PHE A 59 -8.461 3.998 0.740 1.00 0.95 C ATOM 0 H PHE A 59 -7.582 3.148 5.847 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.320 0.633 4.338 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -5.606 3.144 4.431 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.279 1.739 3.436 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -7.635 4.540 3.969 1.00 0.68 H new ATOM 0 HD2 PHE A 59 -6.417 1.405 1.358 1.00 0.92 H new ATOM 0 HE1 PHE A 59 -9.081 5.452 2.198 1.00 0.87 H new ATOM 0 HE2 PHE A 59 -7.859 2.312 -0.409 1.00 1.11 H new ATOM 0 HZ PHE A 59 -8.994 4.463 -0.076 1.00 0.95 H new ATOM 644 N TYR A 60 -6.141 1.089 7.174 1.00 0.35 N ATOM 645 CA TYR A 60 -5.271 0.617 8.248 1.00 0.39 C ATOM 646 C TYR A 60 -5.361 -0.898 8.404 1.00 0.45 C ATOM 647 O TYR A 60 -4.428 -1.539 8.889 1.00 0.63 O ATOM 648 CB TYR A 60 -5.654 1.268 9.580 1.00 0.46 C ATOM 649 CG TYR A 60 -5.363 2.750 9.690 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.671 3.401 8.677 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.761 3.493 10.792 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.383 4.746 8.756 1.00 0.31 C ATOM 653 CE2 TYR A 60 -5.475 4.843 10.879 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.871 5.476 9.925 1.00 0.45 C ATOM 655 OH TYR A 60 -4.484 6.803 9.938 1.00 0.58 O ATOM 0 H TYR A 60 -6.966 1.596 7.494 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.251 0.893 7.981 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.720 1.112 9.748 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.126 0.752 10.382 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.352 2.842 7.810 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -6.302 3.010 11.593 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.817 5.243 7.982 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -5.764 5.384 11.768 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.917 6.986 9.160 1.00 0.58 H new ATOM 665 N GLN A 61 -6.497 -1.460 8.006 1.00 0.46 N ATOM 666 CA GLN A 61 -6.756 -2.880 8.207 1.00 0.55 C ATOM 667 C GLN A 61 -6.751 -3.626 6.880 1.00 0.56 C ATOM 668 O GLN A 61 -7.500 -3.276 5.966 1.00 0.57 O ATOM 669 CB GLN A 61 -8.098 -3.094 8.920 1.00 0.65 C ATOM 670 CG GLN A 61 -8.705 -1.825 9.500 1.00 0.71 C ATOM 671 CD GLN A 61 -10.122 -1.579 9.015 1.00 1.09 C ATOM 672 OE1 GLN A 61 -11.034 -1.351 9.811 1.00 1.57 O ATOM 673 NE2 GLN A 61 -10.320 -1.624 7.704 1.00 1.63 N ATOM 0 H GLN A 61 -7.252 -0.954 7.543 1.00 0.46 H new ATOM 0 HA GLN A 61 -5.958 -3.277 8.834 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -8.805 -3.533 8.216 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -7.959 -3.817 9.724 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -8.704 -1.891 10.588 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -8.080 -0.973 9.232 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -9.539 -1.816 7.077 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -11.253 -1.467 7.323 1.00 1.63 H new ATOM 682 N PRO A 62 -5.901 -4.663 6.763 1.00 0.63 N ATOM 683 CA PRO A 62 -5.799 -5.479 5.547 1.00 0.68 C ATOM 684 C PRO A 62 -7.105 -6.178 5.182 1.00 0.69 C ATOM 685 O PRO A 62 -7.981 -6.387 6.030 1.00 0.77 O ATOM 686 CB PRO A 62 -4.723 -6.515 5.889 1.00 0.78 C ATOM 687 CG PRO A 62 -3.969 -5.941 7.033 1.00 0.87 C ATOM 688 CD PRO A 62 -4.952 -5.107 7.801 1.00 0.73 C ATOM 0 HA PRO A 62 -5.561 -4.862 4.681 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -5.171 -7.473 6.155 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -4.067 -6.695 5.037 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -3.552 -6.729 7.660 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -3.132 -5.335 6.684 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -5.449 -5.685 8.580 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -4.467 -4.263 8.291 1.00 0.73 H new ATOM 696 N VAL A 63 -7.211 -6.569 3.921 1.00 0.66 N ATOM 697 CA VAL A 63 -8.400 -7.218 3.415 1.00 0.69 C ATOM 698 C VAL A 63 -8.157 -8.712 3.343 1.00 0.77 C ATOM 699 O VAL A 63 -7.419 -9.208 2.489 1.00 0.88 O ATOM 700 CB VAL A 63 -8.818 -6.656 2.037 1.00 0.73 C ATOM 701 CG1 VAL A 63 -9.616 -7.676 1.241 1.00 0.82 C ATOM 702 CG2 VAL A 63 -9.630 -5.384 2.219 1.00 0.75 C ATOM 0 H VAL A 63 -6.475 -6.444 3.226 1.00 0.66 H new ATOM 0 HA VAL A 63 -9.226 -7.017 4.098 1.00 0.69 H new ATOM 0 HB VAL A 63 -7.911 -6.429 1.476 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -9.894 -7.249 0.278 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -9.010 -8.568 1.081 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -10.517 -7.944 1.793 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -9.920 -4.995 1.243 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -10.524 -5.603 2.803 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -9.029 -4.640 2.742 1.00 0.75 H new ATOM 712 N ASP A 64 -8.751 -9.416 4.282 1.00 0.79 N ATOM 713 CA ASP A 64 -8.556 -10.840 4.402 1.00 0.93 C ATOM 714 C ASP A 64 -9.852 -11.593 4.113 1.00 1.00 C ATOM 715 O ASP A 64 -9.912 -12.817 4.231 1.00 1.51 O ATOM 716 CB ASP A 64 -8.026 -11.147 5.802 1.00 1.02 C ATOM 717 CG ASP A 64 -9.124 -11.304 6.833 1.00 1.29 C ATOM 718 OD1 ASP A 64 -10.136 -10.577 6.739 1.00 1.85 O ATOM 719 OD2 ASP A 64 -8.971 -12.133 7.753 1.00 1.42 O ATOM 0 H ASP A 64 -9.379 -9.017 4.980 1.00 0.79 H new ATOM 0 HA ASP A 64 -7.826 -11.176 3.665 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -7.435 -12.062 5.767 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -7.355 -10.346 6.114 1.00 1.02 H new ATOM 724 N ALA A 65 -10.887 -10.827 3.751 1.00 0.94 N ATOM 725 CA ALA A 65 -12.196 -11.360 3.348 1.00 0.94 C ATOM 726 C ALA A 65 -12.999 -11.911 4.525 1.00 1.03 C ATOM 727 O ALA A 65 -14.187 -12.203 4.384 1.00 1.29 O ATOM 728 CB ALA A 65 -12.048 -12.427 2.269 1.00 0.96 C ATOM 0 H ALA A 65 -10.840 -9.808 3.729 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.754 -10.517 2.941 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -13.033 -12.803 1.991 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.564 -11.994 1.393 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -11.441 -13.248 2.650 1.00 0.96 H new ATOM 734 N ILE A 66 -12.371 -12.013 5.686 1.00 1.03 N ATOM 735 CA ILE A 66 -13.013 -12.613 6.851 1.00 1.14 C ATOM 736 C ILE A 66 -13.228 -11.572 7.942 1.00 1.13 C ATOM 737 O ILE A 66 -14.354 -11.347 8.393 1.00 1.19 O ATOM 738 CB ILE A 66 -12.172 -13.776 7.424 1.00 1.24 C ATOM 739 CG1 ILE A 66 -11.754 -14.750 6.314 1.00 1.35 C ATOM 740 CG2 ILE A 66 -12.945 -14.506 8.515 1.00 1.37 C ATOM 741 CD1 ILE A 66 -12.906 -15.506 5.685 1.00 1.89 C ATOM 0 H ILE A 66 -11.418 -11.689 5.849 1.00 1.03 H new ATOM 0 HA ILE A 66 -13.976 -13.004 6.521 1.00 1.14 H new ATOM 0 HB ILE A 66 -11.267 -13.356 7.863 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -11.231 -14.194 5.536 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -11.044 -15.468 6.724 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -12.338 -15.322 8.907 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -13.182 -13.811 9.320 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -13.869 -14.909 8.099 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -12.525 -16.172 4.911 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -13.417 -16.092 6.449 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -13.607 -14.798 5.242 1.00 1.89 H new ATOM 753 N LYS A 67 -12.144 -10.918 8.336 1.00 1.10 N ATOM 754 CA LYS A 67 -12.177 -9.931 9.405 1.00 1.15 C ATOM 755 C LYS A 67 -12.991 -8.716 8.987 1.00 1.13 C ATOM 756 O LYS A 67 -13.757 -8.163 9.774 1.00 1.27 O ATOM 757 CB LYS A 67 -10.758 -9.508 9.769 1.00 1.21 C ATOM 758 CG LYS A 67 -10.566 -9.203 11.248 1.00 1.50 C ATOM 759 CD LYS A 67 -10.044 -7.791 11.469 1.00 1.90 C ATOM 760 CE LYS A 67 -9.289 -7.677 12.782 1.00 2.46 C ATOM 761 NZ LYS A 67 -10.034 -6.867 13.780 1.00 2.99 N ATOM 0 H LYS A 67 -11.221 -11.056 7.925 1.00 1.10 H new ATOM 0 HA LYS A 67 -12.650 -10.382 10.277 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -10.067 -10.300 9.479 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -10.492 -8.625 9.188 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -11.514 -9.326 11.771 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -9.868 -9.921 11.680 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -9.388 -7.511 10.645 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -10.878 -7.089 11.465 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -9.109 -8.674 13.185 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -8.314 -7.225 12.602 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -9.486 -6.813 14.662 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -10.184 -5.908 13.406 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -10.954 -7.312 13.971 1.00 2.99 H new ATOM 775 N LEU A 68 -12.825 -8.310 7.736 1.00 1.02 N ATOM 776 CA LEU A 68 -13.573 -7.183 7.199 1.00 1.03 C ATOM 777 C LEU A 68 -14.887 -7.656 6.584 1.00 1.05 C ATOM 778 O LEU A 68 -15.715 -6.844 6.170 1.00 1.10 O ATOM 779 CB LEU A 68 -12.743 -6.445 6.146 1.00 1.02 C ATOM 780 CG LEU A 68 -12.486 -4.965 6.437 1.00 1.07 C ATOM 781 CD1 LEU A 68 -11.155 -4.528 5.848 1.00 1.61 C ATOM 782 CD2 LEU A 68 -13.618 -4.107 5.889 1.00 1.66 C ATOM 0 H LEU A 68 -12.180 -8.744 7.075 1.00 1.02 H new ATOM 0 HA LEU A 68 -13.795 -6.499 8.019 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -11.783 -6.951 6.044 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -13.250 -6.527 5.185 1.00 1.02 H new ATOM 0 HG LEU A 68 -12.445 -4.831 7.518 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -10.990 -3.473 6.065 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -10.351 -5.119 6.287 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -11.168 -4.678 4.769 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -13.417 -3.058 6.106 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -13.691 -4.247 4.811 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -14.557 -4.401 6.358 1.00 1.66 H new ATOM 794 N ASN A 69 -15.068 -8.979 6.547 1.00 1.06 N ATOM 795 CA ASN A 69 -16.219 -9.603 5.890 1.00 1.12 C ATOM 796 C ASN A 69 -16.345 -9.111 4.453 1.00 1.09 C ATOM 797 O ASN A 69 -17.283 -8.392 4.102 1.00 1.15 O ATOM 798 CB ASN A 69 -17.515 -9.339 6.661 1.00 1.24 C ATOM 799 CG ASN A 69 -18.632 -10.283 6.253 1.00 1.34 C ATOM 800 OD1 ASN A 69 -18.384 -11.377 5.747 1.00 1.74 O ATOM 801 ND2 ASN A 69 -19.870 -9.867 6.471 1.00 1.55 N ATOM 0 H ASN A 69 -14.423 -9.646 6.970 1.00 1.06 H new ATOM 0 HA ASN A 69 -16.051 -10.680 5.879 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -17.327 -9.443 7.730 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -17.832 -8.310 6.492 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -20.660 -10.461 6.217 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -20.034 -8.953 6.893 1.00 1.55 H new ATOM 808 N LEU A 70 -15.385 -9.503 3.627 1.00 1.04 N ATOM 809 CA LEU A 70 -15.334 -9.063 2.239 1.00 1.01 C ATOM 810 C LEU A 70 -15.156 -10.259 1.299 1.00 0.99 C ATOM 811 O LEU A 70 -14.131 -10.378 0.631 1.00 0.95 O ATOM 812 CB LEU A 70 -14.173 -8.073 2.054 1.00 1.01 C ATOM 813 CG LEU A 70 -14.565 -6.654 1.622 1.00 1.13 C ATOM 814 CD1 LEU A 70 -15.921 -6.257 2.186 1.00 1.61 C ATOM 815 CD2 LEU A 70 -13.498 -5.664 2.062 1.00 1.54 C ATOM 0 H LEU A 70 -14.626 -10.129 3.896 1.00 1.04 H new ATOM 0 HA LEU A 70 -16.274 -8.570 1.993 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -13.624 -8.007 2.993 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -13.487 -8.482 1.312 1.00 1.01 H new ATOM 0 HG LEU A 70 -14.641 -6.639 0.535 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -16.169 -5.246 1.861 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -16.682 -6.950 1.827 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -15.886 -6.289 3.275 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -13.784 -4.659 1.751 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -13.399 -5.694 3.147 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -12.545 -5.928 1.603 1.00 1.54 H new ATOM 827 N PRO A 71 -16.154 -11.159 1.225 1.00 1.06 N ATOM 828 CA PRO A 71 -16.057 -12.367 0.397 1.00 1.11 C ATOM 829 C PRO A 71 -16.108 -12.055 -1.095 1.00 1.05 C ATOM 830 O PRO A 71 -15.505 -12.753 -1.908 1.00 1.09 O ATOM 831 CB PRO A 71 -17.277 -13.188 0.813 1.00 1.28 C ATOM 832 CG PRO A 71 -18.255 -12.204 1.350 1.00 1.30 C ATOM 833 CD PRO A 71 -17.448 -11.078 1.935 1.00 1.18 C ATOM 0 HA PRO A 71 -15.109 -12.885 0.547 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -17.693 -13.731 -0.036 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -17.012 -13.929 1.567 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.913 -11.841 0.561 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -18.890 -12.662 2.109 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -17.932 -10.115 1.774 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.321 -11.195 3.011 1.00 1.18 H new ATOM 841 N ASP A 72 -16.815 -10.988 -1.443 1.00 1.04 N ATOM 842 CA ASP A 72 -16.986 -10.603 -2.839 1.00 1.07 C ATOM 843 C ASP A 72 -15.782 -9.815 -3.338 1.00 0.94 C ATOM 844 O ASP A 72 -15.651 -9.552 -4.534 1.00 0.95 O ATOM 845 CB ASP A 72 -18.261 -9.775 -3.011 1.00 1.24 C ATOM 846 CG ASP A 72 -19.238 -10.415 -3.976 1.00 1.49 C ATOM 847 OD1 ASP A 72 -18.809 -11.227 -4.820 1.00 1.93 O ATOM 848 OD2 ASP A 72 -20.446 -10.110 -3.892 1.00 1.97 O ATOM 0 H ASP A 72 -17.281 -10.372 -0.777 1.00 1.04 H new ATOM 0 HA ASP A 72 -17.071 -11.514 -3.432 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -18.742 -9.648 -2.041 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.999 -8.780 -3.370 1.00 1.24 H new ATOM 853 N TYR A 73 -14.899 -9.451 -2.417 1.00 0.87 N ATOM 854 CA TYR A 73 -13.698 -8.700 -2.758 1.00 0.79 C ATOM 855 C TYR A 73 -12.798 -9.521 -3.669 1.00 0.74 C ATOM 856 O TYR A 73 -12.274 -9.012 -4.654 1.00 0.73 O ATOM 857 CB TYR A 73 -12.938 -8.307 -1.491 1.00 0.78 C ATOM 858 CG TYR A 73 -12.044 -7.096 -1.657 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.541 -5.813 -1.480 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.699 -7.237 -1.979 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.728 -4.705 -1.624 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.880 -6.132 -2.121 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.400 -4.870 -1.943 1.00 0.94 C ATOM 864 OH TYR A 73 -9.589 -3.769 -2.082 1.00 1.13 O ATOM 0 H TYR A 73 -14.993 -9.665 -1.424 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.998 -7.794 -3.285 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.657 -8.108 -0.696 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -12.330 -9.152 -1.168 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.582 -5.678 -1.225 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -10.287 -8.225 -2.120 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.133 -3.713 -1.487 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.837 -6.259 -2.370 1.00 0.90 H new ATOM 0 HH TYR A 73 -10.142 -2.964 -2.162 1.00 1.13 H new ATOM 874 N HIS A 74 -12.663 -10.803 -3.352 1.00 0.79 N ATOM 875 CA HIS A 74 -11.769 -11.696 -4.089 1.00 0.80 C ATOM 876 C HIS A 74 -12.310 -12.010 -5.483 1.00 0.85 C ATOM 877 O HIS A 74 -11.625 -12.624 -6.302 1.00 0.91 O ATOM 878 CB HIS A 74 -11.567 -13.001 -3.313 1.00 0.89 C ATOM 879 CG HIS A 74 -10.754 -12.857 -2.064 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.956 -11.761 -1.843 1.00 0.91 N ATOM 881 CD2 HIS A 74 -10.657 -13.694 -1.006 1.00 0.91 C ATOM 882 CE1 HIS A 74 -9.391 -11.957 -0.667 1.00 0.78 C ATOM 883 NE2 HIS A 74 -9.785 -13.115 -0.123 1.00 0.82 N ATOM 0 H HIS A 74 -13.163 -11.252 -2.585 1.00 0.79 H new ATOM 0 HA HIS A 74 -10.814 -11.183 -4.201 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -12.543 -13.409 -3.052 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -11.082 -13.727 -3.966 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -11.169 -14.637 -0.882 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.699 -11.271 -0.202 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -9.492 -13.494 0.777 1.00 0.82 H new ATOM 891 N LYS A 75 -13.536 -11.585 -5.756 1.00 0.89 N ATOM 892 CA LYS A 75 -14.170 -11.868 -7.033 1.00 0.97 C ATOM 893 C LYS A 75 -13.911 -10.731 -8.008 1.00 0.92 C ATOM 894 O LYS A 75 -13.852 -10.934 -9.220 1.00 1.11 O ATOM 895 CB LYS A 75 -15.674 -12.084 -6.852 1.00 1.09 C ATOM 896 CG LYS A 75 -16.018 -13.359 -6.097 1.00 1.20 C ATOM 897 CD LYS A 75 -16.068 -14.566 -7.022 1.00 1.68 C ATOM 898 CE LYS A 75 -16.502 -15.820 -6.278 1.00 2.05 C ATOM 899 NZ LYS A 75 -16.238 -17.051 -7.066 1.00 2.86 N ATOM 0 H LYS A 75 -14.110 -11.043 -5.110 1.00 0.89 H new ATOM 0 HA LYS A 75 -13.740 -12.784 -7.439 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -16.094 -11.231 -6.319 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -16.149 -12.112 -7.832 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -15.277 -13.530 -5.316 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -16.982 -13.240 -5.602 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -16.760 -14.370 -7.841 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -15.086 -14.727 -7.466 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -15.974 -15.878 -5.326 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -17.566 -15.757 -6.049 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -16.548 -17.883 -6.524 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -16.762 -17.008 -7.964 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -15.219 -17.126 -7.263 1.00 2.86 H new ATOM 913 N ILE A 76 -13.742 -9.534 -7.472 1.00 0.78 N ATOM 914 CA ILE A 76 -13.455 -8.373 -8.294 1.00 0.77 C ATOM 915 C ILE A 76 -11.970 -8.036 -8.228 1.00 0.69 C ATOM 916 O ILE A 76 -11.334 -7.734 -9.240 1.00 0.78 O ATOM 917 CB ILE A 76 -14.290 -7.145 -7.859 1.00 0.82 C ATOM 918 CG1 ILE A 76 -15.772 -7.370 -8.169 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.792 -5.880 -8.548 1.00 0.87 C ATOM 920 CD1 ILE A 76 -16.703 -6.890 -7.076 1.00 1.00 C ATOM 0 H ILE A 76 -13.799 -9.342 -6.472 1.00 0.78 H new ATOM 0 HA ILE A 76 -13.728 -8.620 -9.320 1.00 0.77 H new ATOM 0 HB ILE A 76 -14.173 -7.018 -6.783 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -16.022 -6.857 -9.098 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -15.941 -8.434 -8.337 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -14.394 -5.030 -8.227 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.749 -5.707 -8.282 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.876 -5.997 -9.628 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -17.736 -7.083 -7.367 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -16.482 -7.421 -6.150 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -16.563 -5.820 -6.923 1.00 1.00 H new ATOM 932 N ILE A 77 -11.418 -8.108 -7.031 1.00 0.58 N ATOM 933 CA ILE A 77 -10.020 -7.799 -6.812 1.00 0.53 C ATOM 934 C ILE A 77 -9.229 -9.084 -6.599 1.00 0.64 C ATOM 935 O ILE A 77 -9.471 -9.825 -5.650 1.00 0.75 O ATOM 936 CB ILE A 77 -9.843 -6.865 -5.595 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.672 -5.584 -5.769 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.382 -6.524 -5.388 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.282 -4.755 -6.978 1.00 0.50 C ATOM 0 H ILE A 77 -11.924 -8.381 -6.188 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.643 -7.285 -7.696 1.00 0.53 H new ATOM 0 HB ILE A 77 -10.202 -7.391 -4.710 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.725 -5.853 -5.851 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.568 -4.972 -4.873 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -8.281 -5.865 -4.526 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.816 -7.439 -5.214 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.996 -6.022 -6.275 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.914 -3.868 -7.030 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.238 -4.453 -6.891 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.413 -5.348 -7.883 1.00 0.50 H new ATOM 951 N LYS A 78 -8.289 -9.349 -7.493 1.00 0.74 N ATOM 952 CA LYS A 78 -7.517 -10.581 -7.435 1.00 0.90 C ATOM 953 C LYS A 78 -6.283 -10.402 -6.562 1.00 0.73 C ATOM 954 O LYS A 78 -5.654 -11.376 -6.148 1.00 0.72 O ATOM 955 CB LYS A 78 -7.112 -11.026 -8.839 1.00 1.16 C ATOM 956 CG LYS A 78 -8.164 -11.878 -9.533 1.00 1.45 C ATOM 957 CD LYS A 78 -9.085 -11.039 -10.409 1.00 1.67 C ATOM 958 CE LYS A 78 -10.539 -11.147 -9.967 1.00 1.72 C ATOM 959 NZ LYS A 78 -11.473 -11.129 -11.123 1.00 1.99 N ATOM 0 H LYS A 78 -8.043 -8.730 -8.265 1.00 0.74 H new ATOM 0 HA LYS A 78 -8.144 -11.355 -6.992 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -6.911 -10.144 -9.447 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -6.181 -11.590 -8.778 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -7.673 -12.636 -10.144 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -8.756 -12.406 -8.785 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -8.771 -9.996 -10.373 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -8.995 -11.363 -11.446 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -10.679 -12.068 -9.402 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -10.777 -10.322 -9.296 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -12.452 -11.068 -10.777 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -11.266 -10.306 -11.724 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -11.356 -12.001 -11.678 1.00 1.99 H new ATOM 973 N ASN A 79 -5.944 -9.151 -6.288 1.00 0.67 N ATOM 974 CA ASN A 79 -4.820 -8.833 -5.418 1.00 0.56 C ATOM 975 C ASN A 79 -5.304 -8.022 -4.220 1.00 0.54 C ATOM 976 O ASN A 79 -5.255 -6.792 -4.236 1.00 0.52 O ATOM 977 CB ASN A 79 -3.754 -8.040 -6.178 1.00 0.60 C ATOM 978 CG ASN A 79 -3.058 -8.858 -7.251 1.00 1.09 C ATOM 979 OD1 ASN A 79 -2.033 -9.494 -6.999 1.00 2.05 O ATOM 980 ND2 ASN A 79 -3.599 -8.838 -8.462 1.00 1.28 N ATOM 0 H ASN A 79 -6.433 -8.336 -6.657 1.00 0.67 H new ATOM 0 HA ASN A 79 -4.379 -9.767 -5.071 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -4.218 -7.167 -6.638 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -3.011 -7.671 -5.471 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -3.166 -9.361 -9.223 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -4.448 -8.300 -8.632 1.00 1.28 H new ATOM 987 N PRO A 80 -5.793 -8.699 -3.168 1.00 0.58 N ATOM 988 CA PRO A 80 -6.350 -8.030 -1.987 1.00 0.60 C ATOM 989 C PRO A 80 -5.274 -7.343 -1.148 1.00 0.55 C ATOM 990 O PRO A 80 -4.675 -7.949 -0.259 1.00 0.64 O ATOM 991 CB PRO A 80 -6.999 -9.173 -1.205 1.00 0.70 C ATOM 992 CG PRO A 80 -6.271 -10.401 -1.627 1.00 0.89 C ATOM 993 CD PRO A 80 -5.843 -10.169 -3.049 1.00 0.67 C ATOM 0 HA PRO A 80 -7.046 -7.235 -2.256 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.911 -9.014 -0.130 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -8.063 -9.249 -1.430 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.408 -10.581 -0.986 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -6.913 -11.279 -1.552 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.872 -10.620 -3.253 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -6.550 -10.603 -3.755 1.00 0.67 H new ATOM 1001 N MET A 81 -5.026 -6.076 -1.445 1.00 0.46 N ATOM 1002 CA MET A 81 -3.997 -5.313 -0.755 1.00 0.43 C ATOM 1003 C MET A 81 -4.557 -3.997 -0.261 1.00 0.43 C ATOM 1004 O MET A 81 -5.598 -3.530 -0.729 1.00 0.55 O ATOM 1005 CB MET A 81 -2.797 -5.059 -1.675 1.00 0.44 C ATOM 1006 CG MET A 81 -2.409 -6.263 -2.516 1.00 0.74 C ATOM 1007 SD MET A 81 -0.881 -7.046 -1.963 1.00 0.82 S ATOM 1008 CE MET A 81 -1.518 -8.203 -0.755 1.00 0.70 C ATOM 0 H MET A 81 -5.526 -5.552 -2.163 1.00 0.46 H new ATOM 0 HA MET A 81 -3.660 -5.898 0.101 1.00 0.43 H new ATOM 0 HB2 MET A 81 -3.027 -4.224 -2.336 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.942 -4.759 -1.069 1.00 0.44 H new ATOM 0 HG2 MET A 81 -3.217 -6.995 -2.488 1.00 0.74 H new ATOM 0 HG3 MET A 81 -2.296 -5.953 -3.555 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.695 -8.598 -0.160 1.00 0.70 H new ATOM 0 HE2 MET A 81 -2.226 -7.694 -0.102 1.00 0.70 H new ATOM 0 HE3 MET A 81 -2.021 -9.023 -1.267 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.836 -3.404 0.668 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.276 -2.209 1.359 1.00 0.36 C ATOM 1020 C ASP A 82 -3.060 -1.347 1.689 1.00 0.35 C ATOM 1021 O ASP A 82 -2.260 -1.051 0.809 1.00 0.53 O ATOM 1022 CB ASP A 82 -5.049 -2.586 2.633 1.00 0.38 C ATOM 1023 CG ASP A 82 -4.239 -3.461 3.575 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -4.022 -4.642 3.244 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.838 -2.979 4.656 1.00 1.32 O ATOM 0 H ASP A 82 -2.921 -3.740 0.967 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.949 -1.639 0.719 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -5.346 -1.676 3.155 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.965 -3.108 2.356 1.00 0.38 H new ATOM 1030 N MET A 83 -2.891 -0.980 2.951 1.00 0.27 N ATOM 1031 CA MET A 83 -1.773 -0.140 3.348 1.00 0.26 C ATOM 1032 C MET A 83 -0.912 -0.863 4.367 1.00 0.25 C ATOM 1033 O MET A 83 0.273 -0.565 4.526 1.00 0.26 O ATOM 1034 CB MET A 83 -2.267 1.188 3.920 1.00 0.31 C ATOM 1035 CG MET A 83 -1.736 2.402 3.178 1.00 0.43 C ATOM 1036 SD MET A 83 -2.868 3.804 3.235 1.00 0.80 S ATOM 1037 CE MET A 83 -2.661 4.337 4.930 1.00 0.38 C ATOM 0 H MET A 83 -3.512 -1.250 3.714 1.00 0.27 H new ATOM 0 HA MET A 83 -1.172 0.072 2.464 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.357 1.203 3.893 1.00 0.31 H new ATOM 0 HB3 MET A 83 -1.973 1.255 4.968 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.779 2.696 3.609 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.549 2.134 2.138 1.00 0.43 H new ATOM 0 HE1 MET A 83 -3.560 4.099 5.499 1.00 0.38 H new ATOM 0 HE2 MET A 83 -1.806 3.824 5.371 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.491 5.413 4.955 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.510 -1.840 5.035 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.798 -2.594 6.037 1.00 0.29 C ATOM 1049 C GLY A 84 -0.023 -3.716 5.408 1.00 0.26 C ATOM 1050 O GLY A 84 0.977 -4.183 5.950 1.00 0.32 O ATOM 0 H GLY A 84 -2.481 -2.122 4.897 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.119 -1.936 6.580 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.502 -2.996 6.765 1.00 0.29 H new ATOM 1054 N THR A 85 -0.485 -4.147 4.246 1.00 0.24 N ATOM 1055 CA THR A 85 0.194 -5.183 3.502 1.00 0.25 C ATOM 1056 C THR A 85 1.462 -4.632 2.870 1.00 0.26 C ATOM 1057 O THR A 85 2.497 -5.303 2.828 1.00 0.32 O ATOM 1058 CB THR A 85 -0.721 -5.767 2.411 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.706 -4.793 2.036 1.00 0.95 O ATOM 1060 CG2 THR A 85 -1.413 -7.029 2.903 1.00 0.84 C ATOM 0 H THR A 85 -1.331 -3.791 3.800 1.00 0.24 H new ATOM 0 HA THR A 85 0.456 -5.981 4.197 1.00 0.25 H new ATOM 0 HB THR A 85 -0.108 -6.023 1.547 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.558 -5.004 2.472 1.00 0.95 H new ATOM 0 HG21 THR A 85 -2.054 -7.423 2.115 1.00 0.84 H new ATOM 0 HG22 THR A 85 -0.664 -7.775 3.168 1.00 0.84 H new ATOM 0 HG23 THR A 85 -2.018 -6.794 3.779 1.00 0.84 H new ATOM 1068 N ILE A 86 1.370 -3.400 2.393 1.00 0.27 N ATOM 1069 CA ILE A 86 2.519 -2.696 1.851 1.00 0.31 C ATOM 1070 C ILE A 86 3.595 -2.553 2.919 1.00 0.29 C ATOM 1071 O ILE A 86 4.761 -2.887 2.701 1.00 0.32 O ATOM 1072 CB ILE A 86 2.108 -1.300 1.334 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.259 -1.440 0.072 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.329 -0.429 1.067 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.533 -0.171 -0.309 1.00 0.97 C ATOM 0 H ILE A 86 0.502 -2.864 2.371 1.00 0.27 H new ATOM 0 HA ILE A 86 2.915 -3.275 1.016 1.00 0.31 H new ATOM 0 HB ILE A 86 1.515 -0.809 2.106 1.00 0.36 H new ATOM 0 HG12 ILE A 86 1.900 -1.745 -0.755 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.529 -2.236 0.221 1.00 0.55 H new ATOM 0 HG21 ILE A 86 3.007 0.547 0.704 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.896 -0.304 1.990 1.00 0.36 H new ATOM 0 HG23 ILE A 86 3.959 -0.906 0.316 1.00 0.36 H new ATOM 0 HD11 ILE A 86 -0.050 -0.343 -1.214 1.00 0.97 H new ATOM 0 HD12 ILE A 86 -0.133 0.124 0.501 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.258 0.623 -0.490 1.00 0.97 H new ATOM 1087 N LYS A 87 3.181 -2.085 4.090 1.00 0.29 N ATOM 1088 CA LYS A 87 4.104 -1.869 5.192 1.00 0.34 C ATOM 1089 C LYS A 87 4.651 -3.193 5.726 1.00 0.34 C ATOM 1090 O LYS A 87 5.765 -3.238 6.247 1.00 0.38 O ATOM 1091 CB LYS A 87 3.428 -1.061 6.311 1.00 0.41 C ATOM 1092 CG LYS A 87 2.816 -1.902 7.424 1.00 0.49 C ATOM 1093 CD LYS A 87 2.238 -1.029 8.527 1.00 0.69 C ATOM 1094 CE LYS A 87 3.200 -0.896 9.698 1.00 1.08 C ATOM 1095 NZ LYS A 87 3.397 -2.188 10.406 1.00 1.15 N ATOM 0 H LYS A 87 2.211 -1.848 4.299 1.00 0.29 H new ATOM 0 HA LYS A 87 4.949 -1.293 4.816 1.00 0.34 H new ATOM 0 HB2 LYS A 87 4.163 -0.385 6.748 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.647 -0.441 5.871 1.00 0.41 H new ATOM 0 HG2 LYS A 87 2.032 -2.537 7.012 1.00 0.49 H new ATOM 0 HG3 LYS A 87 3.575 -2.563 7.842 1.00 0.49 H new ATOM 0 HD2 LYS A 87 2.011 -0.040 8.128 1.00 0.69 H new ATOM 0 HD3 LYS A 87 1.297 -1.456 8.875 1.00 0.69 H new ATOM 0 HE2 LYS A 87 4.161 -0.530 9.338 1.00 1.08 H new ATOM 0 HE3 LYS A 87 2.818 -0.153 10.398 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 3.700 -2.005 11.384 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 2.503 -2.719 10.414 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 4.126 -2.745 9.916 1.00 1.15 H new ATOM 1109 N LYS A 88 3.874 -4.271 5.575 1.00 0.35 N ATOM 1110 CA LYS A 88 4.283 -5.579 6.068 1.00 0.39 C ATOM 1111 C LYS A 88 5.552 -6.061 5.373 1.00 0.41 C ATOM 1112 O LYS A 88 6.466 -6.566 6.022 1.00 0.46 O ATOM 1113 CB LYS A 88 3.160 -6.602 5.873 1.00 0.42 C ATOM 1114 CG LYS A 88 3.196 -7.745 6.875 1.00 0.73 C ATOM 1115 CD LYS A 88 1.838 -8.421 7.006 1.00 1.26 C ATOM 1116 CE LYS A 88 1.171 -8.076 8.330 1.00 1.68 C ATOM 1117 NZ LYS A 88 1.943 -8.589 9.493 1.00 2.46 N ATOM 0 H LYS A 88 2.963 -4.258 5.116 1.00 0.35 H new ATOM 0 HA LYS A 88 4.493 -5.480 7.133 1.00 0.39 H new ATOM 0 HB2 LYS A 88 2.199 -6.093 5.950 1.00 0.42 H new ATOM 0 HB3 LYS A 88 3.224 -7.012 4.865 1.00 0.42 H new ATOM 0 HG2 LYS A 88 3.939 -8.479 6.564 1.00 0.73 H new ATOM 0 HG3 LYS A 88 3.510 -7.367 7.848 1.00 0.73 H new ATOM 0 HD2 LYS A 88 1.195 -8.112 6.182 1.00 1.26 H new ATOM 0 HD3 LYS A 88 1.959 -9.502 6.928 1.00 1.26 H new ATOM 0 HE2 LYS A 88 1.067 -6.994 8.413 1.00 1.68 H new ATOM 0 HE3 LYS A 88 0.165 -8.495 8.349 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 1.296 -8.771 10.286 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 2.423 -9.473 9.228 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 2.651 -7.883 9.779 1.00 2.46 H new ATOM 1131 N ARG A 89 5.608 -5.907 4.055 1.00 0.40 N ATOM 1132 CA ARG A 89 6.769 -6.336 3.290 1.00 0.44 C ATOM 1133 C ARG A 89 7.924 -5.356 3.468 1.00 0.43 C ATOM 1134 O ARG A 89 9.094 -5.741 3.386 1.00 0.48 O ATOM 1135 CB ARG A 89 6.407 -6.462 1.813 1.00 0.47 C ATOM 1136 CG ARG A 89 5.966 -7.863 1.420 1.00 0.68 C ATOM 1137 CD ARG A 89 5.130 -7.857 0.149 1.00 0.64 C ATOM 1138 NE ARG A 89 5.897 -7.414 -1.017 1.00 0.59 N ATOM 1139 CZ ARG A 89 5.368 -6.753 -2.044 1.00 0.78 C ATOM 1140 NH1 ARG A 89 4.070 -6.502 -2.068 1.00 1.16 N ATOM 1141 NH2 ARG A 89 6.132 -6.356 -3.056 1.00 1.03 N ATOM 0 H ARG A 89 4.864 -5.489 3.496 1.00 0.40 H new ATOM 0 HA ARG A 89 7.086 -7.311 3.661 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.608 -5.758 1.581 1.00 0.47 H new ATOM 0 HB3 ARG A 89 7.268 -6.177 1.209 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.844 -8.493 1.275 1.00 0.68 H new ATOM 0 HG3 ARG A 89 5.389 -8.304 2.233 1.00 0.68 H new ATOM 0 HD2 ARG A 89 4.742 -8.859 -0.033 1.00 0.64 H new ATOM 0 HD3 ARG A 89 4.269 -7.202 0.286 1.00 0.64 H new ATOM 0 HE ARG A 89 6.895 -7.624 -1.044 1.00 0.59 H new ATOM 0 HH11 ARG A 89 3.476 -6.815 -1.300 1.00 1.16 H new ATOM 0 HH12 ARG A 89 3.663 -5.996 -2.854 1.00 1.16 H new ATOM 0 HH21 ARG A 89 7.132 -6.557 -3.050 1.00 1.03 H new ATOM 0 HH22 ARG A 89 5.719 -5.850 -3.839 1.00 1.03 H new ATOM 1155 N LEU A 90 7.584 -4.095 3.713 1.00 0.40 N ATOM 1156 CA LEU A 90 8.581 -3.052 3.939 1.00 0.41 C ATOM 1157 C LEU A 90 9.390 -3.337 5.197 1.00 0.44 C ATOM 1158 O LEU A 90 10.618 -3.423 5.151 1.00 0.49 O ATOM 1159 CB LEU A 90 7.910 -1.680 4.059 1.00 0.39 C ATOM 1160 CG LEU A 90 7.863 -0.868 2.767 1.00 0.38 C ATOM 1161 CD1 LEU A 90 6.747 0.158 2.823 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.200 -0.190 2.509 1.00 0.45 C ATOM 0 H LEU A 90 6.619 -3.768 3.761 1.00 0.40 H new ATOM 0 HA LEU A 90 9.255 -3.045 3.082 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.891 -1.821 4.419 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.437 -1.100 4.816 1.00 0.39 H new ATOM 0 HG LEU A 90 7.662 -1.551 1.942 1.00 0.38 H new ATOM 0 HD11 LEU A 90 6.729 0.727 1.894 1.00 0.38 H new ATOM 0 HD12 LEU A 90 5.792 -0.350 2.956 1.00 0.38 H new ATOM 0 HD13 LEU A 90 6.917 0.835 3.660 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.145 0.383 1.584 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.434 0.479 3.337 1.00 0.45 H new ATOM 0 HD23 LEU A 90 9.980 -0.946 2.421 1.00 0.45 H new ATOM 1174 N GLU A 91 8.696 -3.504 6.315 1.00 0.45 N ATOM 1175 CA GLU A 91 9.354 -3.715 7.598 1.00 0.50 C ATOM 1176 C GLU A 91 9.977 -5.106 7.678 1.00 0.54 C ATOM 1177 O GLU A 91 10.907 -5.336 8.451 1.00 0.64 O ATOM 1178 CB GLU A 91 8.371 -3.501 8.751 1.00 0.53 C ATOM 1179 CG GLU A 91 7.250 -4.527 8.816 1.00 0.76 C ATOM 1180 CD GLU A 91 6.120 -4.085 9.722 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.368 -3.850 10.922 1.00 1.23 O ATOM 1182 OE2 GLU A 91 4.972 -3.983 9.243 1.00 1.39 O ATOM 0 H GLU A 91 7.677 -3.497 6.360 1.00 0.45 H new ATOM 0 HA GLU A 91 10.156 -2.982 7.685 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.922 -3.522 9.691 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.933 -2.507 8.660 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.861 -4.702 7.813 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.649 -5.476 9.173 1.00 0.76 H new ATOM 1189 N ASN A 92 9.473 -6.028 6.867 1.00 0.51 N ATOM 1190 CA ASN A 92 10.015 -7.382 6.828 1.00 0.57 C ATOM 1191 C ASN A 92 11.227 -7.446 5.911 1.00 0.60 C ATOM 1192 O ASN A 92 11.928 -8.456 5.872 1.00 0.68 O ATOM 1193 CB ASN A 92 8.956 -8.377 6.350 1.00 0.60 C ATOM 1194 CG ASN A 92 8.326 -9.152 7.492 1.00 0.69 C ATOM 1195 OD1 ASN A 92 8.973 -9.980 8.136 1.00 1.00 O ATOM 1196 ND2 ASN A 92 7.050 -8.899 7.741 1.00 1.30 N ATOM 0 H ASN A 92 8.693 -5.865 6.230 1.00 0.51 H new ATOM 0 HA ASN A 92 10.319 -7.650 7.840 1.00 0.57 H new ATOM 0 HB2 ASN A 92 8.178 -7.841 5.807 1.00 0.60 H new ATOM 0 HB3 ASN A 92 9.410 -9.076 5.648 1.00 0.60 H new ATOM 0 HD21 ASN A 92 6.568 -9.397 8.489 1.00 1.30 H new ATOM 0 HD22 ASN A 92 6.550 -8.206 7.185 1.00 1.30 H new ATOM 1203 N ASN A 93 11.463 -6.354 5.179 1.00 0.58 N ATOM 1204 CA ASN A 93 12.577 -6.271 4.235 1.00 0.62 C ATOM 1205 C ASN A 93 12.488 -7.404 3.216 1.00 0.66 C ATOM 1206 O ASN A 93 13.427 -8.178 3.028 1.00 0.77 O ATOM 1207 CB ASN A 93 13.915 -6.303 4.988 1.00 0.70 C ATOM 1208 CG ASN A 93 15.091 -5.846 4.150 1.00 0.87 C ATOM 1209 OD1 ASN A 93 16.186 -6.401 4.248 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.884 -4.816 3.346 1.00 1.22 N ATOM 0 H ASN A 93 10.892 -5.510 5.224 1.00 0.58 H new ATOM 0 HA ASN A 93 12.518 -5.326 3.695 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.841 -5.669 5.872 1.00 0.70 H new ATOM 0 HB3 ASN A 93 14.101 -7.318 5.338 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.648 -4.452 2.776 1.00 1.22 H new ATOM 0 HD22 ASN A 93 13.960 -4.386 3.296 1.00 1.22 H new ATOM 1217 N TYR A 94 11.332 -7.498 2.571 1.00 0.61 N ATOM 1218 CA TYR A 94 11.053 -8.583 1.637 1.00 0.67 C ATOM 1219 C TYR A 94 11.666 -8.308 0.262 1.00 0.70 C ATOM 1220 O TYR A 94 11.805 -9.211 -0.568 1.00 0.79 O ATOM 1221 CB TYR A 94 9.535 -8.774 1.527 1.00 0.71 C ATOM 1222 CG TYR A 94 9.101 -9.677 0.393 1.00 0.71 C ATOM 1223 CD1 TYR A 94 9.188 -11.058 0.508 1.00 0.77 C ATOM 1224 CD2 TYR A 94 8.613 -9.146 -0.791 1.00 0.74 C ATOM 1225 CE1 TYR A 94 8.800 -11.885 -0.526 1.00 0.83 C ATOM 1226 CE2 TYR A 94 8.226 -9.963 -1.833 1.00 0.81 C ATOM 1227 CZ TYR A 94 8.320 -11.332 -1.695 1.00 0.85 C ATOM 1228 OH TYR A 94 7.940 -12.145 -2.735 1.00 0.96 O ATOM 0 H TYR A 94 10.567 -6.831 2.678 1.00 0.61 H new ATOM 0 HA TYR A 94 11.509 -9.498 2.015 1.00 0.67 H new ATOM 0 HB2 TYR A 94 9.163 -9.185 2.466 1.00 0.71 H new ATOM 0 HB3 TYR A 94 9.066 -7.798 1.399 1.00 0.71 H new ATOM 0 HD1 TYR A 94 9.566 -11.492 1.422 1.00 0.77 H new ATOM 0 HD2 TYR A 94 8.534 -8.074 -0.899 1.00 0.74 H new ATOM 0 HE1 TYR A 94 8.872 -12.957 -0.421 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.852 -9.533 -2.751 1.00 0.81 H new ATOM 0 HH TYR A 94 7.956 -13.080 -2.442 1.00 0.96 H new ATOM 1238 N TYR A 95 12.035 -7.065 0.018 1.00 0.77 N ATOM 1239 CA TYR A 95 12.617 -6.697 -1.262 1.00 0.88 C ATOM 1240 C TYR A 95 13.910 -5.935 -1.069 1.00 0.75 C ATOM 1241 O TYR A 95 14.288 -5.598 0.056 1.00 1.04 O ATOM 1242 CB TYR A 95 11.651 -5.865 -2.108 1.00 1.17 C ATOM 1243 CG TYR A 95 10.584 -5.153 -1.319 1.00 0.95 C ATOM 1244 CD1 TYR A 95 10.919 -4.165 -0.408 1.00 1.05 C ATOM 1245 CD2 TYR A 95 9.247 -5.470 -1.484 1.00 0.92 C ATOM 1246 CE1 TYR A 95 9.950 -3.510 0.317 1.00 1.09 C ATOM 1247 CE2 TYR A 95 8.270 -4.818 -0.768 1.00 0.96 C ATOM 1248 CZ TYR A 95 8.616 -3.849 0.130 1.00 1.04 C ATOM 1249 OH TYR A 95 7.659 -3.174 0.842 1.00 1.28 O ATOM 0 H TYR A 95 11.944 -6.297 0.683 1.00 0.77 H new ATOM 0 HA TYR A 95 12.824 -7.625 -1.794 1.00 0.88 H new ATOM 0 HB2 TYR A 95 12.223 -5.127 -2.670 1.00 1.17 H new ATOM 0 HB3 TYR A 95 11.171 -6.518 -2.837 1.00 1.17 H new ATOM 0 HD1 TYR A 95 11.957 -3.905 -0.264 1.00 1.05 H new ATOM 0 HD2 TYR A 95 8.966 -6.241 -2.186 1.00 0.92 H new ATOM 0 HE1 TYR A 95 10.224 -2.741 1.024 1.00 1.09 H new ATOM 0 HE2 TYR A 95 7.231 -5.072 -0.916 1.00 0.96 H new ATOM 0 HH TYR A 95 7.004 -2.787 0.224 1.00 1.28 H new ATOM 1259 N TRP A 96 14.571 -5.663 -2.176 1.00 0.72 N ATOM 1260 CA TRP A 96 15.839 -4.966 -2.164 1.00 0.65 C ATOM 1261 C TRP A 96 15.637 -3.487 -1.857 1.00 0.61 C ATOM 1262 O TRP A 96 16.284 -2.931 -0.974 1.00 0.64 O ATOM 1263 CB TRP A 96 16.534 -5.131 -3.514 1.00 0.68 C ATOM 1264 CG TRP A 96 18.002 -4.860 -3.462 1.00 0.72 C ATOM 1265 CD1 TRP A 96 18.606 -3.722 -3.018 1.00 0.70 C ATOM 1266 CD2 TRP A 96 19.051 -5.740 -3.873 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.968 -3.846 -3.112 1.00 0.79 N ATOM 1268 CE2 TRP A 96 20.268 -5.072 -3.642 1.00 0.86 C ATOM 1269 CE3 TRP A 96 19.079 -7.026 -4.412 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 21.500 -5.652 -3.933 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 20.302 -7.601 -4.700 1.00 1.03 C ATOM 1272 CH2 TRP A 96 21.499 -6.913 -4.461 1.00 1.05 C ATOM 0 H TRP A 96 14.244 -5.919 -3.108 1.00 0.72 H new ATOM 0 HA TRP A 96 16.465 -5.397 -1.383 1.00 0.65 H new ATOM 0 HB2 TRP A 96 16.372 -6.146 -3.876 1.00 0.68 H new ATOM 0 HB3 TRP A 96 16.073 -4.458 -4.236 1.00 0.68 H new ATOM 0 HD1 TRP A 96 18.088 -2.850 -2.647 1.00 0.70 H new ATOM 0 HE1 TRP A 96 20.648 -3.139 -2.832 1.00 0.79 H new ATOM 0 HE3 TRP A 96 18.161 -7.563 -4.601 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 22.424 -5.124 -3.748 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 20.336 -8.597 -5.116 1.00 1.03 H new ATOM 0 HH2 TRP A 96 22.439 -7.388 -4.699 1.00 1.05 H new ATOM 1283 N SER A 97 14.728 -2.863 -2.584 1.00 0.60 N ATOM 1284 CA SER A 97 14.510 -1.439 -2.458 1.00 0.56 C ATOM 1285 C SER A 97 13.023 -1.116 -2.612 1.00 0.54 C ATOM 1286 O SER A 97 12.214 -2.005 -2.887 1.00 0.55 O ATOM 1287 CB SER A 97 15.364 -0.703 -3.497 1.00 0.58 C ATOM 1288 OG SER A 97 15.106 0.693 -3.512 1.00 1.00 O ATOM 0 H SER A 97 14.129 -3.324 -3.269 1.00 0.60 H new ATOM 0 HA SER A 97 14.813 -1.103 -1.466 1.00 0.56 H new ATOM 0 HB2 SER A 97 16.419 -0.873 -3.284 1.00 0.58 H new ATOM 0 HB3 SER A 97 15.168 -1.118 -4.486 1.00 0.58 H new ATOM 0 HG SER A 97 15.954 1.183 -3.472 1.00 1.00 H new ATOM 1294 N ALA A 98 12.674 0.153 -2.451 1.00 0.54 N ATOM 1295 CA ALA A 98 11.281 0.580 -2.439 1.00 0.56 C ATOM 1296 C ALA A 98 10.685 0.602 -3.842 1.00 0.52 C ATOM 1297 O ALA A 98 9.479 0.792 -4.006 1.00 0.53 O ATOM 1298 CB ALA A 98 11.161 1.953 -1.796 1.00 0.66 C ATOM 0 H ALA A 98 13.344 0.912 -2.326 1.00 0.54 H new ATOM 0 HA ALA A 98 10.717 -0.145 -1.852 1.00 0.56 H new ATOM 0 HB1 ALA A 98 10.116 2.263 -1.792 1.00 0.66 H new ATOM 0 HB2 ALA A 98 11.530 1.908 -0.771 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.751 2.673 -2.363 1.00 0.66 H new ATOM 1304 N SER A 99 11.528 0.390 -4.845 1.00 0.52 N ATOM 1305 CA SER A 99 11.095 0.394 -6.238 1.00 0.54 C ATOM 1306 C SER A 99 10.052 -0.695 -6.485 1.00 0.48 C ATOM 1307 O SER A 99 9.139 -0.525 -7.292 1.00 0.50 O ATOM 1308 CB SER A 99 12.314 0.189 -7.135 1.00 0.62 C ATOM 1309 OG SER A 99 13.500 0.175 -6.352 1.00 0.85 O ATOM 0 H SER A 99 12.524 0.212 -4.718 1.00 0.52 H new ATOM 0 HA SER A 99 10.630 1.352 -6.470 1.00 0.54 H new ATOM 0 HB2 SER A 99 12.219 -0.749 -7.682 1.00 0.62 H new ATOM 0 HB3 SER A 99 12.368 0.986 -7.876 1.00 0.62 H new ATOM 0 HG SER A 99 14.276 0.042 -6.936 1.00 0.85 H new ATOM 1315 N GLU A 100 10.180 -1.795 -5.754 1.00 0.46 N ATOM 1316 CA GLU A 100 9.259 -2.915 -5.886 1.00 0.48 C ATOM 1317 C GLU A 100 7.908 -2.574 -5.260 1.00 0.44 C ATOM 1318 O GLU A 100 6.861 -3.005 -5.737 1.00 0.52 O ATOM 1319 CB GLU A 100 9.859 -4.154 -5.217 1.00 0.56 C ATOM 1320 CG GLU A 100 9.120 -5.444 -5.534 1.00 1.03 C ATOM 1321 CD GLU A 100 9.836 -6.663 -4.995 1.00 1.83 C ATOM 1322 OE1 GLU A 100 10.909 -7.015 -5.532 1.00 2.44 O ATOM 1323 OE2 GLU A 100 9.343 -7.271 -4.021 1.00 2.37 O ATOM 0 H GLU A 100 10.916 -1.935 -5.061 1.00 0.46 H new ATOM 0 HA GLU A 100 9.101 -3.122 -6.944 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.898 -4.256 -5.529 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.864 -4.005 -4.137 1.00 0.56 H new ATOM 0 HG2 GLU A 100 8.116 -5.398 -5.111 1.00 1.03 H new ATOM 0 HG3 GLU A 100 9.007 -5.540 -6.614 1.00 1.03 H new ATOM 1330 N CYS A 101 7.947 -1.758 -4.214 1.00 0.41 N ATOM 1331 CA CYS A 101 6.750 -1.413 -3.461 1.00 0.44 C ATOM 1332 C CYS A 101 5.883 -0.414 -4.216 1.00 0.38 C ATOM 1333 O CYS A 101 4.691 -0.276 -3.934 1.00 0.38 O ATOM 1334 CB CYS A 101 7.112 -0.862 -2.086 1.00 0.57 C ATOM 1335 SG CYS A 101 6.011 -1.441 -0.782 1.00 0.95 S ATOM 0 H CYS A 101 8.801 -1.321 -3.867 1.00 0.41 H new ATOM 0 HA CYS A 101 6.174 -2.329 -3.330 1.00 0.44 H new ATOM 0 HB2 CYS A 101 8.135 -1.149 -1.844 1.00 0.57 H new ATOM 0 HB3 CYS A 101 7.086 0.227 -2.119 1.00 0.57 H new ATOM 0 HG CYS A 101 5.285 -2.422 -1.230 1.00 0.95 H new ATOM 1341 N MET A 102 6.485 0.296 -5.164 1.00 0.39 N ATOM 1342 CA MET A 102 5.742 1.230 -6.004 1.00 0.44 C ATOM 1343 C MET A 102 4.611 0.502 -6.729 1.00 0.36 C ATOM 1344 O MET A 102 3.580 1.095 -7.055 1.00 0.39 O ATOM 1345 CB MET A 102 6.672 1.896 -7.020 1.00 0.58 C ATOM 1346 CG MET A 102 6.610 3.417 -6.999 1.00 0.75 C ATOM 1347 SD MET A 102 8.139 4.168 -6.406 1.00 1.02 S ATOM 1348 CE MET A 102 7.501 5.342 -5.212 1.00 1.13 C ATOM 0 H MET A 102 7.483 0.243 -5.370 1.00 0.39 H new ATOM 0 HA MET A 102 5.314 2.003 -5.365 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.697 1.580 -6.824 1.00 0.58 H new ATOM 0 HB3 MET A 102 6.416 1.544 -8.019 1.00 0.58 H new ATOM 0 HG2 MET A 102 6.397 3.782 -8.004 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.784 3.734 -6.363 1.00 0.75 H new ATOM 0 HE1 MET A 102 7.686 6.357 -5.565 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.429 5.190 -5.090 1.00 1.13 H new ATOM 0 HE3 MET A 102 8.000 5.194 -4.254 1.00 1.13 H new ATOM 1358 N GLN A 103 4.808 -0.793 -6.958 1.00 0.34 N ATOM 1359 CA GLN A 103 3.792 -1.618 -7.599 1.00 0.36 C ATOM 1360 C GLN A 103 2.624 -1.863 -6.648 1.00 0.30 C ATOM 1361 O GLN A 103 1.459 -1.822 -7.054 1.00 0.31 O ATOM 1362 CB GLN A 103 4.388 -2.955 -8.048 1.00 0.43 C ATOM 1363 CG GLN A 103 4.673 -3.030 -9.541 1.00 1.36 C ATOM 1364 CD GLN A 103 3.488 -2.597 -10.384 1.00 2.17 C ATOM 1365 OE1 GLN A 103 3.384 -1.435 -10.780 1.00 2.70 O ATOM 1366 NE2 GLN A 103 2.590 -3.526 -10.663 1.00 2.96 N ATOM 0 H GLN A 103 5.662 -1.293 -6.709 1.00 0.34 H new ATOM 0 HA GLN A 103 3.426 -1.085 -8.477 1.00 0.36 H new ATOM 0 HB2 GLN A 103 5.315 -3.131 -7.501 1.00 0.43 H new ATOM 0 HB3 GLN A 103 3.701 -3.757 -7.778 1.00 0.43 H new ATOM 0 HG2 GLN A 103 5.531 -2.399 -9.775 1.00 1.36 H new ATOM 0 HG3 GLN A 103 4.947 -4.052 -9.804 1.00 1.36 H new ATOM 0 HE21 GLN A 103 2.715 -4.477 -10.315 1.00 2.96 H new ATOM 0 HE22 GLN A 103 1.772 -3.292 -11.226 1.00 2.96 H new ATOM 1375 N ASP A 104 2.945 -2.101 -5.382 1.00 0.30 N ATOM 1376 CA ASP A 104 1.934 -2.362 -4.362 1.00 0.32 C ATOM 1377 C ASP A 104 1.089 -1.123 -4.125 1.00 0.29 C ATOM 1378 O ASP A 104 -0.140 -1.195 -4.105 1.00 0.31 O ATOM 1379 CB ASP A 104 2.581 -2.785 -3.041 1.00 0.48 C ATOM 1380 CG ASP A 104 3.736 -3.744 -3.222 1.00 0.88 C ATOM 1381 OD1 ASP A 104 3.576 -4.749 -3.950 1.00 1.09 O ATOM 1382 OD2 ASP A 104 4.802 -3.505 -2.624 1.00 1.87 O ATOM 0 H ASP A 104 3.904 -2.119 -5.035 1.00 0.30 H new ATOM 0 HA ASP A 104 1.303 -3.174 -4.724 1.00 0.32 H new ATOM 0 HB2 ASP A 104 2.934 -1.897 -2.516 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.826 -3.251 -2.407 1.00 0.48 H new ATOM 1387 N PHE A 105 1.759 0.011 -3.950 1.00 0.30 N ATOM 1388 CA PHE A 105 1.077 1.280 -3.721 1.00 0.33 C ATOM 1389 C PHE A 105 0.108 1.581 -4.861 1.00 0.32 C ATOM 1390 O PHE A 105 -1.021 2.015 -4.632 1.00 0.38 O ATOM 1391 CB PHE A 105 2.095 2.414 -3.580 1.00 0.38 C ATOM 1392 CG PHE A 105 2.180 2.993 -2.192 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.194 3.846 -1.717 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.253 2.689 -1.365 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.275 4.383 -0.446 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.337 3.225 -0.092 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.346 4.072 0.365 1.00 0.33 C ATOM 0 H PHE A 105 2.777 0.077 -3.962 1.00 0.30 H new ATOM 0 HA PHE A 105 0.509 1.202 -2.794 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.079 2.043 -3.869 1.00 0.38 H new ATOM 0 HB3 PHE A 105 1.836 3.209 -4.279 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.353 4.093 -2.348 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.030 2.028 -1.719 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.500 5.045 -0.088 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.176 2.982 0.543 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.410 4.491 1.358 1.00 0.33 H new ATOM 1407 N ASN A 106 0.555 1.338 -6.091 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.302 1.500 -7.261 1.00 0.34 C ATOM 1409 C ASN A 106 -1.530 0.601 -7.139 1.00 0.32 C ATOM 1410 O ASN A 106 -2.665 1.058 -7.277 1.00 0.38 O ATOM 1411 CB ASN A 106 0.479 1.176 -8.544 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.405 0.656 -9.664 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -1.125 1.417 -10.312 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.354 -0.646 -9.899 1.00 0.97 N ATOM 0 H ASN A 106 1.504 1.029 -6.302 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.634 2.537 -7.314 1.00 0.34 H new ATOM 0 HB2 ASN A 106 0.996 2.073 -8.884 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.244 0.433 -8.319 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.925 -1.053 -10.640 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.256 -1.242 -9.339 1.00 0.97 H new ATOM 1421 N THR A 107 -1.295 -0.675 -6.848 1.00 0.29 N ATOM 1422 CA THR A 107 -2.365 -1.652 -6.719 1.00 0.30 C ATOM 1423 C THR A 107 -3.372 -1.235 -5.647 1.00 0.26 C ATOM 1424 O THR A 107 -4.575 -1.224 -5.894 1.00 0.27 O ATOM 1425 CB THR A 107 -1.794 -3.042 -6.382 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.783 -3.391 -7.341 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.890 -4.099 -6.381 1.00 0.39 C ATOM 0 H THR A 107 -0.361 -1.057 -6.696 1.00 0.29 H new ATOM 0 HA THR A 107 -2.881 -1.700 -7.678 1.00 0.30 H new ATOM 0 HB THR A 107 -1.358 -3.003 -5.384 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.053 -2.932 -7.117 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.458 -5.070 -6.140 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.643 -3.842 -5.636 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.354 -4.143 -7.366 1.00 0.39 H new ATOM 1435 N MET A 108 -2.863 -0.871 -4.473 1.00 0.26 N ATOM 1436 CA MET A 108 -3.691 -0.443 -3.348 1.00 0.26 C ATOM 1437 C MET A 108 -4.666 0.671 -3.746 1.00 0.24 C ATOM 1438 O MET A 108 -5.817 0.682 -3.305 1.00 0.27 O ATOM 1439 CB MET A 108 -2.793 0.030 -2.199 1.00 0.32 C ATOM 1440 CG MET A 108 -3.460 1.015 -1.247 1.00 0.62 C ATOM 1441 SD MET A 108 -2.402 2.420 -0.849 1.00 0.88 S ATOM 1442 CE MET A 108 -3.615 3.578 -0.220 1.00 0.83 C ATOM 0 H MET A 108 -1.863 -0.864 -4.274 1.00 0.26 H new ATOM 0 HA MET A 108 -4.286 -1.298 -3.025 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.462 -0.839 -1.631 1.00 0.32 H new ATOM 0 HB3 MET A 108 -1.901 0.495 -2.618 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.385 1.377 -1.695 1.00 0.62 H new ATOM 0 HG3 MET A 108 -3.732 0.498 -0.327 1.00 0.62 H new ATOM 0 HE1 MET A 108 -3.114 4.490 0.104 1.00 0.83 H new ATOM 0 HE2 MET A 108 -4.331 3.817 -1.006 1.00 0.83 H new ATOM 0 HE3 MET A 108 -4.139 3.132 0.625 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.219 1.588 -4.596 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.032 2.737 -4.954 1.00 0.23 C ATOM 1454 C PHE A 109 -6.092 2.334 -5.967 1.00 0.23 C ATOM 1455 O PHE A 109 -7.276 2.625 -5.795 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.156 3.863 -5.510 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.623 4.785 -4.447 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.490 5.485 -3.624 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.258 4.949 -4.268 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.007 6.329 -2.642 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.769 5.793 -3.287 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.644 6.483 -2.473 1.00 0.22 C ATOM 0 H PHE A 109 -3.304 1.557 -5.046 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.530 3.105 -4.057 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.319 3.427 -6.055 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.736 4.444 -6.227 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.556 5.370 -3.751 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.568 4.412 -4.902 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.694 6.868 -2.007 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.703 5.912 -3.158 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.265 7.142 -1.706 1.00 0.22 H new ATOM 1472 N THR A 110 -5.662 1.640 -7.011 1.00 0.22 N ATOM 1473 CA THR A 110 -6.567 1.154 -8.033 1.00 0.26 C ATOM 1474 C THR A 110 -7.591 0.176 -7.459 1.00 0.25 C ATOM 1475 O THR A 110 -8.748 0.169 -7.875 1.00 0.27 O ATOM 1476 CB THR A 110 -5.786 0.476 -9.164 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.428 0.940 -9.181 1.00 0.49 O ATOM 1478 CG2 THR A 110 -6.421 0.788 -10.495 1.00 0.66 C ATOM 0 H THR A 110 -4.683 1.401 -7.170 1.00 0.22 H new ATOM 0 HA THR A 110 -7.103 2.017 -8.429 1.00 0.26 H new ATOM 0 HB THR A 110 -5.803 -0.600 -8.990 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.925 0.507 -8.460 1.00 0.49 H new ATOM 0 HG21 THR A 110 -5.857 0.301 -11.290 1.00 0.66 H new ATOM 0 HG22 THR A 110 -7.448 0.423 -10.503 1.00 0.66 H new ATOM 0 HG23 THR A 110 -6.418 1.866 -10.656 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.156 -0.636 -6.500 1.00 0.24 N ATOM 1487 CA ASN A 111 -8.026 -1.606 -5.830 1.00 0.27 C ATOM 1488 C ASN A 111 -9.319 -0.953 -5.359 1.00 0.26 C ATOM 1489 O ASN A 111 -10.418 -1.417 -5.676 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.310 -2.210 -4.622 1.00 0.33 C ATOM 1491 CG ASN A 111 -6.663 -3.547 -4.924 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -6.554 -3.959 -6.080 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -6.224 -4.234 -3.881 1.00 1.61 N ATOM 0 H ASN A 111 -6.193 -0.643 -6.164 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.266 -2.387 -6.551 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.547 -1.514 -4.274 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -8.024 -2.334 -3.808 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -5.776 -5.140 -4.019 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -6.334 -3.857 -2.939 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.172 0.135 -4.615 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.307 0.857 -4.067 1.00 0.30 C ATOM 1502 C CYS A 112 -11.173 1.446 -5.183 1.00 0.31 C ATOM 1503 O CYS A 112 -12.400 1.379 -5.122 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.813 1.966 -3.129 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.990 3.314 -2.880 1.00 0.63 S ATOM 0 H CYS A 112 -8.266 0.539 -4.376 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.922 0.158 -3.500 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.573 1.526 -2.161 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.887 2.378 -3.530 1.00 0.36 H new ATOM 0 HG CYS A 112 -11.286 3.849 -4.027 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.526 1.996 -6.205 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.231 2.644 -7.310 1.00 0.36 C ATOM 1513 C TYR A 113 -12.102 1.649 -8.076 1.00 0.41 C ATOM 1514 O TYR A 113 -13.201 1.984 -8.513 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.230 3.291 -8.274 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.511 4.505 -7.723 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.162 5.377 -6.859 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.185 4.776 -8.050 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.518 6.481 -6.338 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.535 5.882 -7.533 1.00 0.65 C ATOM 1521 CZ TYR A 113 -8.176 6.741 -6.743 1.00 0.66 C ATOM 1522 OH TYR A 113 -7.564 7.824 -6.153 1.00 0.81 O ATOM 0 H TYR A 113 -9.510 2.007 -6.293 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.876 3.411 -6.883 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.488 2.545 -8.559 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.757 3.580 -9.183 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -11.191 5.187 -6.590 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.656 4.112 -8.718 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -10.020 7.134 -5.639 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -6.496 6.051 -7.773 1.00 0.65 H new ATOM 0 HH TYR A 113 -6.668 7.941 -6.533 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.603 0.431 -8.240 1.00 0.37 N ATOM 1533 CA ILE A 114 -12.301 -0.582 -9.020 1.00 0.43 C ATOM 1534 C ILE A 114 -13.418 -1.245 -8.221 1.00 0.47 C ATOM 1535 O ILE A 114 -14.546 -1.368 -8.701 1.00 0.55 O ATOM 1536 CB ILE A 114 -11.332 -1.675 -9.516 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -10.222 -1.062 -10.369 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -12.081 -2.739 -10.312 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -9.016 -1.961 -10.528 1.00 0.44 C ATOM 0 H ILE A 114 -10.716 0.120 -7.843 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.735 -0.063 -9.875 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.880 -2.149 -8.644 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.621 -0.826 -11.355 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.907 -0.121 -9.919 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -11.379 -3.500 -10.652 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.838 -3.201 -9.679 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.562 -2.277 -11.174 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -8.269 -1.462 -11.145 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.592 -2.177 -9.548 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -9.317 -2.893 -11.006 1.00 0.44 H new ATOM 1551 N TYR A 115 -13.103 -1.676 -7.005 1.00 0.44 N ATOM 1552 CA TYR A 115 -14.054 -2.440 -6.201 1.00 0.51 C ATOM 1553 C TYR A 115 -15.217 -1.570 -5.731 1.00 0.52 C ATOM 1554 O TYR A 115 -16.323 -2.067 -5.497 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.354 -3.070 -4.990 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.298 -3.842 -4.087 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.762 -5.101 -4.447 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -14.740 -3.301 -2.881 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.639 -5.797 -3.636 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -15.614 -3.995 -2.065 1.00 1.03 C ATOM 1561 CZ TYR A 115 -16.059 -5.241 -2.448 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.937 -5.931 -1.643 1.00 1.22 O ATOM 0 H TYR A 115 -12.203 -1.512 -6.555 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.454 -3.231 -6.835 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.569 -3.740 -5.341 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -12.868 -2.285 -4.410 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -14.432 -5.543 -5.375 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -14.394 -2.324 -2.579 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.993 -6.773 -3.933 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -15.946 -3.563 -1.133 1.00 1.03 H new ATOM 0 HH TYR A 115 -17.132 -5.401 -0.842 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.978 -0.278 -5.607 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.979 0.612 -5.037 1.00 0.41 C ATOM 1574 C ASN A 116 -16.538 1.559 -6.084 1.00 0.45 C ATOM 1575 O ASN A 116 -16.096 1.571 -7.232 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.392 1.407 -3.868 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.868 0.509 -2.764 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.629 0.011 -1.933 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.561 0.300 -2.750 1.00 0.88 N ATOM 0 H ASN A 116 -14.110 0.178 -5.889 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.797 -0.007 -4.668 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.583 2.040 -4.232 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -16.157 2.069 -3.462 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -13.147 -0.294 -2.031 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.968 0.733 -3.458 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.517 2.347 -5.675 1.00 0.48 N ATOM 1587 CA LYS A 117 -18.189 3.274 -6.569 1.00 0.53 C ATOM 1588 C LYS A 117 -17.590 4.669 -6.432 1.00 0.52 C ATOM 1589 O LYS A 117 -17.080 5.024 -5.372 1.00 0.55 O ATOM 1590 CB LYS A 117 -19.691 3.305 -6.257 1.00 0.65 C ATOM 1591 CG LYS A 117 -20.384 1.963 -6.447 1.00 1.20 C ATOM 1592 CD LYS A 117 -20.673 1.288 -5.114 1.00 1.82 C ATOM 1593 CE LYS A 117 -20.646 -0.226 -5.240 1.00 2.62 C ATOM 1594 NZ LYS A 117 -20.746 -0.896 -3.916 1.00 3.47 N ATOM 0 H LYS A 117 -17.868 2.363 -4.717 1.00 0.48 H new ATOM 0 HA LYS A 117 -18.050 2.938 -7.596 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.832 3.634 -5.228 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -20.171 4.045 -6.897 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -21.317 2.109 -6.992 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -19.757 1.312 -7.057 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -19.936 1.606 -4.376 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -21.649 1.606 -4.748 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -21.470 -0.552 -5.875 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -19.723 -0.533 -5.733 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -20.724 -1.928 -4.046 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -19.946 -0.605 -3.319 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -21.638 -0.624 -3.456 1.00 3.47 H new ATOM 1608 N PRO A 118 -17.646 5.483 -7.502 1.00 0.59 N ATOM 1609 CA PRO A 118 -17.107 6.852 -7.491 1.00 0.68 C ATOM 1610 C PRO A 118 -17.774 7.740 -6.441 1.00 0.70 C ATOM 1611 O PRO A 118 -17.209 8.749 -6.015 1.00 0.81 O ATOM 1612 CB PRO A 118 -17.408 7.373 -8.903 1.00 0.79 C ATOM 1613 CG PRO A 118 -18.459 6.470 -9.446 1.00 0.96 C ATOM 1614 CD PRO A 118 -18.221 5.132 -8.812 1.00 0.68 C ATOM 0 HA PRO A 118 -16.047 6.863 -7.236 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -17.755 8.406 -8.874 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -16.514 7.354 -9.527 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -19.455 6.843 -9.208 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -18.394 6.404 -10.532 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -19.146 4.565 -8.708 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -17.537 4.522 -9.402 1.00 0.68 H new ATOM 1622 N THR A 119 -18.973 7.354 -6.026 1.00 0.67 N ATOM 1623 CA THR A 119 -19.726 8.103 -5.033 1.00 0.77 C ATOM 1624 C THR A 119 -19.572 7.491 -3.639 1.00 0.69 C ATOM 1625 O THR A 119 -20.379 7.745 -2.737 1.00 0.78 O ATOM 1626 CB THR A 119 -21.215 8.149 -5.408 1.00 0.97 C ATOM 1627 OG1 THR A 119 -21.500 7.144 -6.396 1.00 0.98 O ATOM 1628 CG2 THR A 119 -21.591 9.522 -5.944 1.00 1.23 C ATOM 0 H THR A 119 -19.448 6.518 -6.367 1.00 0.67 H new ATOM 0 HA THR A 119 -19.325 9.116 -5.015 1.00 0.77 H new ATOM 0 HB THR A 119 -21.805 7.953 -4.512 1.00 0.97 H new ATOM 0 HG1 THR A 119 -22.451 7.176 -6.631 1.00 0.98 H new ATOM 0 HG21 THR A 119 -22.650 9.534 -6.204 1.00 1.23 H new ATOM 0 HG22 THR A 119 -21.396 10.276 -5.182 1.00 1.23 H new ATOM 0 HG23 THR A 119 -20.997 9.741 -6.831 1.00 1.23 H new ATOM 1636 N ASP A 120 -18.541 6.673 -3.468 1.00 0.59 N ATOM 1637 CA ASP A 120 -18.267 6.049 -2.181 1.00 0.59 C ATOM 1638 C ASP A 120 -17.221 6.847 -1.418 1.00 0.47 C ATOM 1639 O ASP A 120 -16.408 7.557 -2.012 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.798 4.604 -2.358 1.00 0.63 C ATOM 1641 CG ASP A 120 -18.207 3.713 -1.200 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -17.870 4.038 -0.042 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -18.871 2.685 -1.444 1.00 1.19 O ATOM 0 H ASP A 120 -17.881 6.426 -4.205 1.00 0.59 H new ATOM 0 HA ASP A 120 -19.194 6.039 -1.608 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -18.210 4.203 -3.284 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.713 4.588 -2.459 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.239 6.710 -0.105 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.359 7.480 0.763 1.00 0.51 C ATOM 1650 C ASP A 121 -14.927 6.998 0.638 1.00 0.39 C ATOM 1651 O ASP A 121 -13.999 7.801 0.588 1.00 0.39 O ATOM 1652 CB ASP A 121 -16.808 7.371 2.218 1.00 0.70 C ATOM 1653 CG ASP A 121 -17.962 8.292 2.534 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -19.127 7.877 2.358 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -17.710 9.436 2.967 1.00 1.44 O ATOM 0 H ASP A 121 -17.858 6.068 0.390 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.411 8.523 0.451 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -17.099 6.342 2.430 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -15.969 7.606 2.873 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.760 5.684 0.568 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.436 5.082 0.482 1.00 0.27 C ATOM 1662 C ILE A 122 -12.723 5.515 -0.801 1.00 0.25 C ATOM 1663 O ILE A 122 -11.504 5.698 -0.819 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.521 3.538 0.561 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -12.135 2.907 0.402 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.487 2.993 -0.482 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.462 2.610 1.722 1.00 0.42 C ATOM 0 H ILE A 122 -15.528 5.013 0.569 1.00 0.34 H new ATOM 0 HA ILE A 122 -12.854 5.434 1.334 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.903 3.272 1.546 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -12.227 1.982 -0.168 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.502 3.578 -0.179 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -14.529 1.906 -0.406 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.480 3.408 -0.310 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -14.144 3.274 -1.478 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.484 2.164 1.540 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.340 3.536 2.284 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -12.076 1.915 2.295 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.495 5.700 -1.866 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.947 6.172 -3.129 1.00 0.25 C ATOM 1681 C VAL A 123 -12.501 7.625 -2.990 1.00 0.24 C ATOM 1682 O VAL A 123 -11.437 8.014 -3.476 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.983 6.045 -4.276 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -13.950 7.264 -5.190 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.744 4.772 -5.072 1.00 0.32 C ATOM 0 H VAL A 123 -14.501 5.530 -1.879 1.00 0.24 H new ATOM 0 HA VAL A 123 -12.088 5.549 -3.379 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.975 5.993 -3.827 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -14.688 7.144 -5.983 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -14.181 8.159 -4.612 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -12.957 7.363 -5.629 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -14.480 4.700 -5.872 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.742 4.794 -5.501 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.838 3.908 -4.414 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.321 8.415 -2.307 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.032 9.825 -2.100 1.00 0.31 C ATOM 1697 C LEU A 124 -11.778 9.975 -1.260 1.00 0.29 C ATOM 1698 O LEU A 124 -10.980 10.894 -1.457 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.211 10.516 -1.409 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.037 11.441 -2.301 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.513 11.343 -1.947 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.548 12.876 -2.171 1.00 0.49 C ATOM 0 H LEU A 124 -14.195 8.099 -1.886 1.00 0.27 H new ATOM 0 HA LEU A 124 -12.872 10.297 -3.070 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -14.870 9.751 -0.998 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -13.830 11.094 -0.567 1.00 0.37 H new ATOM 0 HG LEU A 124 -14.913 11.127 -3.337 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.087 12.008 -2.592 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -16.854 10.317 -2.089 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.658 11.633 -0.906 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.146 13.524 -2.812 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.645 13.201 -1.135 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.502 12.933 -2.472 1.00 0.49 H new ATOM 1714 N MET A 125 -11.606 9.048 -0.332 1.00 0.25 N ATOM 1715 CA MET A 125 -10.454 9.050 0.542 1.00 0.26 C ATOM 1716 C MET A 125 -9.189 8.721 -0.236 1.00 0.24 C ATOM 1717 O MET A 125 -8.184 9.419 -0.117 1.00 0.25 O ATOM 1718 CB MET A 125 -10.649 8.056 1.690 1.00 0.35 C ATOM 1719 CG MET A 125 -11.763 8.449 2.644 1.00 0.62 C ATOM 1720 SD MET A 125 -12.524 7.031 3.454 1.00 0.54 S ATOM 1721 CE MET A 125 -13.340 7.840 4.825 1.00 0.62 C ATOM 0 H MET A 125 -12.257 8.281 -0.167 1.00 0.25 H new ATOM 0 HA MET A 125 -10.347 10.049 0.964 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.866 7.071 1.276 1.00 0.35 H new ATOM 0 HB3 MET A 125 -9.717 7.969 2.248 1.00 0.35 H new ATOM 0 HG2 MET A 125 -11.365 9.124 3.402 1.00 0.62 H new ATOM 0 HG3 MET A 125 -12.526 9.001 2.096 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.631 7.095 5.566 1.00 0.62 H new ATOM 0 HE2 MET A 125 -12.659 8.559 5.281 1.00 0.62 H new ATOM 0 HE3 MET A 125 -14.228 8.359 4.465 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.258 7.678 -1.055 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.113 7.244 -1.852 1.00 0.27 C ATOM 1733 C ALA A 126 -7.559 8.386 -2.698 1.00 0.25 C ATOM 1734 O ALA A 126 -6.345 8.542 -2.830 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.507 6.078 -2.742 1.00 0.31 C ATOM 0 H ALA A 126 -10.098 7.114 -1.186 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.329 6.923 -1.166 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.646 5.763 -3.331 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.847 5.247 -2.124 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.311 6.386 -3.410 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.455 9.194 -3.247 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.064 10.303 -4.105 1.00 0.30 C ATOM 1743 C GLN A 127 -7.307 11.374 -3.321 1.00 0.28 C ATOM 1744 O GLN A 127 -6.365 11.981 -3.833 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.296 10.910 -4.772 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.018 11.492 -6.144 1.00 0.86 C ATOM 1747 CD GLN A 127 -9.702 12.827 -6.354 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -9.074 13.800 -6.767 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -10.993 12.879 -6.069 1.00 1.62 N ATOM 0 H GLN A 127 -9.462 9.101 -3.113 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.395 9.915 -4.873 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.066 10.143 -4.861 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.698 11.693 -4.129 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -7.943 11.614 -6.273 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -9.353 10.791 -6.908 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -11.474 12.046 -5.729 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -11.507 13.752 -6.190 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.716 11.601 -2.078 1.00 0.27 N ATOM 1759 CA ALA A 128 -7.051 12.580 -1.225 1.00 0.28 C ATOM 1760 C ALA A 128 -5.719 12.032 -0.730 1.00 0.24 C ATOM 1761 O ALA A 128 -4.733 12.761 -0.613 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.944 12.952 -0.052 1.00 0.32 C ATOM 0 H ALA A 128 -8.502 11.122 -1.639 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.858 13.479 -1.810 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.435 13.683 0.576 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.875 13.380 -0.425 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -8.164 12.060 0.535 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.710 10.736 -0.447 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.510 10.036 0.000 1.00 0.17 C ATOM 1770 C LEU A 129 -3.420 10.115 -1.069 1.00 0.17 C ATOM 1771 O LEU A 129 -2.241 10.308 -0.762 1.00 0.19 O ATOM 1772 CB LEU A 129 -4.844 8.566 0.274 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.229 8.201 1.716 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.351 9.086 2.223 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -5.628 6.736 1.781 1.00 0.33 C ATOM 0 H LEU A 129 -6.534 10.139 -0.520 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.149 10.509 0.913 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.666 8.276 -0.381 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -3.982 7.963 -0.011 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.365 8.365 2.361 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.602 8.805 3.246 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -6.031 10.128 2.201 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.228 8.963 1.587 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -5.901 6.478 2.804 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -6.480 6.561 1.123 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -4.790 6.116 1.462 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.837 9.983 -2.325 1.00 0.19 N ATOM 1788 CA GLU A 130 -2.922 9.959 -3.462 1.00 0.22 C ATOM 1789 C GLU A 130 -2.018 11.189 -3.497 1.00 0.20 C ATOM 1790 O GLU A 130 -0.861 11.102 -3.910 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.722 9.880 -4.765 1.00 0.34 C ATOM 1792 CG GLU A 130 -3.518 8.589 -5.543 1.00 0.76 C ATOM 1793 CD GLU A 130 -4.021 8.688 -6.969 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -3.397 9.408 -7.775 1.00 1.47 O ATOM 1795 OE2 GLU A 130 -5.044 8.049 -7.296 1.00 1.27 O ATOM 0 H GLU A 130 -4.819 9.890 -2.583 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.286 9.080 -3.354 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.782 9.989 -4.535 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -3.445 10.722 -5.400 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.458 8.337 -5.551 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -4.035 7.776 -5.034 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.536 12.324 -3.037 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.812 13.582 -3.108 1.00 0.28 C ATOM 1804 C LYS A 131 -0.534 13.513 -2.287 1.00 0.25 C ATOM 1805 O LYS A 131 0.502 14.026 -2.697 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.690 14.731 -2.613 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.534 15.371 -3.706 1.00 0.80 C ATOM 1808 CD LYS A 131 -4.980 14.911 -3.629 1.00 1.18 C ATOM 1809 CE LYS A 131 -5.762 15.315 -4.867 1.00 1.56 C ATOM 1810 NZ LYS A 131 -6.288 16.702 -4.763 1.00 2.24 N ATOM 0 H LYS A 131 -3.459 12.395 -2.610 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.547 13.764 -4.150 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.349 14.361 -1.827 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.055 15.494 -2.163 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -3.490 16.456 -3.613 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -3.121 15.117 -4.682 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -5.012 13.827 -3.515 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -5.452 15.339 -2.744 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -5.120 15.235 -5.744 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -6.591 14.623 -5.015 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.815 16.939 -5.628 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -6.921 16.772 -3.941 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -5.496 17.366 -4.648 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.613 12.859 -1.135 1.00 0.28 N ATOM 1825 CA ILE A 132 0.542 12.712 -0.262 1.00 0.33 C ATOM 1826 C ILE A 132 1.542 11.726 -0.860 1.00 0.26 C ATOM 1827 O ILE A 132 2.756 11.896 -0.725 1.00 0.29 O ATOM 1828 CB ILE A 132 0.128 12.234 1.148 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -0.845 13.236 1.777 1.00 0.46 C ATOM 1830 CG2 ILE A 132 1.354 12.044 2.037 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.171 12.942 3.226 1.00 0.59 C ATOM 0 H ILE A 132 -1.466 12.422 -0.784 1.00 0.28 H new ATOM 0 HA ILE A 132 1.009 13.693 -0.171 1.00 0.33 H new ATOM 0 HB ILE A 132 -0.373 11.270 1.055 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -0.418 14.237 1.706 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.770 13.242 1.200 1.00 0.46 H new ATOM 0 HG21 ILE A 132 1.039 11.707 3.025 1.00 1.23 H new ATOM 0 HG22 ILE A 132 2.013 11.298 1.593 1.00 1.23 H new ATOM 0 HG23 ILE A 132 1.887 12.990 2.129 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -1.865 13.693 3.602 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -1.628 11.955 3.303 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -0.255 12.965 3.817 1.00 0.59 H new ATOM 1843 N PHE A 133 1.021 10.713 -1.546 1.00 0.25 N ATOM 1844 CA PHE A 133 1.857 9.682 -2.147 1.00 0.28 C ATOM 1845 C PHE A 133 2.817 10.288 -3.169 1.00 0.26 C ATOM 1846 O PHE A 133 4.030 10.260 -2.975 1.00 0.28 O ATOM 1847 CB PHE A 133 0.981 8.616 -2.807 1.00 0.34 C ATOM 1848 CG PHE A 133 1.767 7.575 -3.553 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.776 6.867 -2.921 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.506 7.314 -4.888 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.511 5.920 -3.604 1.00 0.39 C ATOM 1852 CE2 PHE A 133 2.236 6.365 -5.578 1.00 0.46 C ATOM 1853 CZ PHE A 133 3.240 5.670 -4.933 1.00 0.44 C ATOM 0 H PHE A 133 0.021 10.585 -1.699 1.00 0.25 H new ATOM 0 HA PHE A 133 2.450 9.216 -1.360 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.379 8.126 -2.042 1.00 0.34 H new ATOM 0 HB3 PHE A 133 0.289 9.101 -3.496 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.990 7.059 -1.880 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.723 7.858 -5.395 1.00 0.42 H new ATOM 0 HE1 PHE A 133 4.296 5.376 -3.100 1.00 0.39 H new ATOM 0 HE2 PHE A 133 2.022 6.168 -6.618 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.814 4.929 -5.470 1.00 0.44 H new ATOM 1863 N LEU A 134 2.268 10.880 -4.229 1.00 0.27 N ATOM 1864 CA LEU A 134 3.085 11.439 -5.305 1.00 0.34 C ATOM 1865 C LEU A 134 3.922 12.603 -4.793 1.00 0.34 C ATOM 1866 O LEU A 134 5.005 12.880 -5.311 1.00 0.43 O ATOM 1867 CB LEU A 134 2.210 11.896 -6.481 1.00 0.42 C ATOM 1868 CG LEU A 134 0.879 12.547 -6.093 1.00 0.47 C ATOM 1869 CD1 LEU A 134 0.956 14.060 -6.238 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.254 11.989 -6.941 1.00 0.59 C ATOM 0 H LEU A 134 1.263 10.985 -4.366 1.00 0.27 H new ATOM 0 HA LEU A 134 3.753 10.654 -5.659 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.780 12.604 -7.083 1.00 0.42 H new ATOM 0 HB3 LEU A 134 2.003 11.034 -7.115 1.00 0.42 H new ATOM 0 HG LEU A 134 0.677 12.314 -5.048 1.00 0.47 H new ATOM 0 HD11 LEU A 134 -0.000 14.502 -5.957 1.00 0.64 H new ATOM 0 HD12 LEU A 134 1.740 14.448 -5.588 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.183 14.315 -7.273 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.192 12.463 -6.652 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.055 12.191 -7.993 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.328 10.913 -6.786 1.00 0.59 H new ATOM 1882 N GLN A 135 3.406 13.275 -3.771 1.00 0.29 N ATOM 1883 CA GLN A 135 4.106 14.364 -3.119 1.00 0.35 C ATOM 1884 C GLN A 135 5.439 13.891 -2.561 1.00 0.36 C ATOM 1885 O GLN A 135 6.494 14.411 -2.921 1.00 0.55 O ATOM 1886 CB GLN A 135 3.247 14.903 -1.983 1.00 0.37 C ATOM 1887 CG GLN A 135 3.041 16.399 -2.035 1.00 0.51 C ATOM 1888 CD GLN A 135 3.492 17.077 -0.759 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.467 16.478 0.319 1.00 1.43 O ATOM 1890 NE2 GLN A 135 3.916 18.325 -0.867 1.00 1.61 N ATOM 0 H GLN A 135 2.488 13.076 -3.374 1.00 0.29 H new ATOM 0 HA GLN A 135 4.294 15.148 -3.853 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.275 14.410 -2.009 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.712 14.642 -1.032 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.592 16.812 -2.880 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.986 16.614 -2.207 1.00 0.51 H new ATOM 0 HE21 GLN A 135 3.921 18.785 -1.777 1.00 1.61 H new ATOM 0 HE22 GLN A 135 4.238 18.828 -0.040 1.00 1.61 H new ATOM 1899 N LYS A 136 5.379 12.887 -1.697 1.00 0.25 N ATOM 1900 CA LYS A 136 6.566 12.380 -1.027 1.00 0.26 C ATOM 1901 C LYS A 136 7.464 11.623 -2.000 1.00 0.23 C ATOM 1902 O LYS A 136 8.678 11.551 -1.810 1.00 0.25 O ATOM 1903 CB LYS A 136 6.165 11.481 0.143 1.00 0.32 C ATOM 1904 CG LYS A 136 6.206 12.183 1.493 1.00 0.54 C ATOM 1905 CD LYS A 136 4.965 13.032 1.730 1.00 0.50 C ATOM 1906 CE LYS A 136 5.254 14.204 2.657 1.00 0.63 C ATOM 1907 NZ LYS A 136 5.510 15.463 1.905 1.00 1.52 N ATOM 0 H LYS A 136 4.516 12.406 -1.444 1.00 0.25 H new ATOM 0 HA LYS A 136 7.131 13.229 -0.642 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.158 11.102 -0.030 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.830 10.618 0.171 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.294 11.440 2.286 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.093 12.814 1.547 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.592 13.406 0.776 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.177 12.413 2.160 1.00 0.50 H new ATOM 0 HE2 LYS A 136 4.409 14.350 3.330 1.00 0.63 H new ATOM 0 HE3 LYS A 136 6.119 13.970 3.277 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 5.769 16.219 2.571 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 6.289 15.313 1.232 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 4.652 15.738 1.386 1.00 1.52 H new ATOM 1921 N VAL A 137 6.867 11.074 -3.050 1.00 0.23 N ATOM 1922 CA VAL A 137 7.624 10.381 -4.083 1.00 0.25 C ATOM 1923 C VAL A 137 8.467 11.377 -4.879 1.00 0.30 C ATOM 1924 O VAL A 137 9.567 11.059 -5.325 1.00 0.33 O ATOM 1925 CB VAL A 137 6.696 9.591 -5.035 1.00 0.30 C ATOM 1926 CG1 VAL A 137 7.468 9.029 -6.217 1.00 0.35 C ATOM 1927 CG2 VAL A 137 6.002 8.470 -4.281 1.00 0.33 C ATOM 0 H VAL A 137 5.860 11.096 -3.208 1.00 0.23 H new ATOM 0 HA VAL A 137 8.282 9.667 -3.588 1.00 0.25 H new ATOM 0 HB VAL A 137 5.945 10.280 -5.421 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.788 8.479 -6.868 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.923 9.846 -6.776 1.00 0.35 H new ATOM 0 HG13 VAL A 137 8.247 8.358 -5.857 1.00 0.35 H new ATOM 0 HG21 VAL A 137 5.352 7.921 -4.962 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.749 7.792 -3.868 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.406 8.891 -3.471 1.00 0.33 H new ATOM 1937 N ALA A 138 7.962 12.596 -5.018 1.00 0.34 N ATOM 1938 CA ALA A 138 8.693 13.649 -5.710 1.00 0.43 C ATOM 1939 C ALA A 138 9.893 14.106 -4.884 1.00 0.43 C ATOM 1940 O ALA A 138 10.771 14.818 -5.376 1.00 0.50 O ATOM 1941 CB ALA A 138 7.777 14.825 -6.009 1.00 0.50 C ATOM 0 H ALA A 138 7.050 12.880 -4.661 1.00 0.34 H new ATOM 0 HA ALA A 138 9.060 13.246 -6.654 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.340 15.602 -6.526 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.953 14.493 -6.640 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.381 15.224 -5.075 1.00 0.50 H new ATOM 1947 N GLN A 139 9.922 13.689 -3.626 1.00 0.39 N ATOM 1948 CA GLN A 139 11.015 14.031 -2.730 1.00 0.43 C ATOM 1949 C GLN A 139 11.937 12.834 -2.539 1.00 0.40 C ATOM 1950 O GLN A 139 12.942 12.914 -1.827 1.00 0.45 O ATOM 1951 CB GLN A 139 10.475 14.494 -1.374 1.00 0.45 C ATOM 1952 CG GLN A 139 9.140 15.210 -1.464 1.00 0.54 C ATOM 1953 CD GLN A 139 8.634 15.680 -0.118 1.00 1.08 C ATOM 1954 OE1 GLN A 139 7.757 15.057 0.480 1.00 1.76 O ATOM 1955 NE2 GLN A 139 9.170 16.787 0.364 1.00 1.56 N ATOM 0 H GLN A 139 9.197 13.110 -3.202 1.00 0.39 H new ATOM 0 HA GLN A 139 11.582 14.847 -3.178 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.370 13.629 -0.719 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.204 15.159 -0.910 1.00 0.45 H new ATOM 0 HG2 GLN A 139 9.237 16.067 -2.130 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.404 14.541 -1.910 1.00 0.54 H new ATOM 0 HE21 GLN A 139 9.895 17.274 -0.163 1.00 1.56 H new ATOM 0 HE22 GLN A 139 8.859 17.155 1.263 1.00 1.56 H new ATOM 1964 N MET A 140 11.583 11.721 -3.174 1.00 0.35 N ATOM 1965 CA MET A 140 12.347 10.485 -3.054 1.00 0.35 C ATOM 1966 C MET A 140 13.713 10.614 -3.721 1.00 0.40 C ATOM 1967 O MET A 140 13.856 11.297 -4.737 1.00 0.48 O ATOM 1968 CB MET A 140 11.574 9.325 -3.681 1.00 0.38 C ATOM 1969 CG MET A 140 10.742 8.538 -2.686 1.00 0.66 C ATOM 1970 SD MET A 140 11.383 6.880 -2.412 1.00 0.86 S ATOM 1971 CE MET A 140 10.828 6.073 -3.909 1.00 0.67 C ATOM 0 H MET A 140 10.766 11.651 -3.781 1.00 0.35 H new ATOM 0 HA MET A 140 12.500 10.287 -1.993 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.919 9.715 -4.460 1.00 0.38 H new ATOM 0 HB3 MET A 140 12.279 8.650 -4.166 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.713 9.074 -1.737 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.716 8.472 -3.047 1.00 0.66 H new ATOM 0 HE1 MET A 140 10.615 5.025 -3.700 1.00 0.67 H new ATOM 0 HE2 MET A 140 9.924 6.562 -4.272 1.00 0.67 H new ATOM 0 HE3 MET A 140 11.607 6.140 -4.669 1.00 0.67 H new ATOM 1981 N PRO A 141 14.740 9.969 -3.148 1.00 0.42 N ATOM 1982 CA PRO A 141 16.080 9.963 -3.726 1.00 0.52 C ATOM 1983 C PRO A 141 16.154 9.059 -4.953 1.00 0.61 C ATOM 1984 O PRO A 141 16.430 7.863 -4.841 1.00 0.67 O ATOM 1985 CB PRO A 141 16.952 9.417 -2.593 1.00 0.55 C ATOM 1986 CG PRO A 141 16.041 8.576 -1.772 1.00 0.53 C ATOM 1987 CD PRO A 141 14.673 9.196 -1.890 1.00 0.46 C ATOM 0 HA PRO A 141 16.393 10.948 -4.072 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.784 8.831 -2.984 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.381 10.226 -2.002 1.00 0.55 H new ATOM 0 HG2 PRO A 141 16.034 7.547 -2.130 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.368 8.549 -0.732 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.892 8.436 -1.929 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.451 9.838 -1.038 1.00 0.46 H new ATOM 1995 N GLN A 142 15.909 9.637 -6.126 1.00 0.76 N ATOM 1996 CA GLN A 142 15.877 8.877 -7.373 1.00 0.94 C ATOM 1997 C GLN A 142 17.277 8.581 -7.893 1.00 0.93 C ATOM 1998 O GLN A 142 17.496 8.397 -9.093 1.00 1.17 O ATOM 1999 CB GLN A 142 15.051 9.620 -8.424 1.00 1.21 C ATOM 2000 CG GLN A 142 14.235 8.701 -9.317 1.00 1.60 C ATOM 2001 CD GLN A 142 13.220 7.881 -8.545 1.00 2.34 C ATOM 2002 OE1 GLN A 142 12.119 8.346 -8.256 1.00 2.87 O ATOM 2003 NE2 GLN A 142 13.585 6.656 -8.206 1.00 2.91 N ATOM 0 H GLN A 142 15.729 10.635 -6.239 1.00 0.76 H new ATOM 0 HA GLN A 142 15.403 7.918 -7.166 1.00 0.94 H new ATOM 0 HB2 GLN A 142 14.379 10.315 -7.921 1.00 1.21 H new ATOM 0 HB3 GLN A 142 15.720 10.216 -9.045 1.00 1.21 H new ATOM 0 HG2 GLN A 142 13.718 9.297 -10.068 1.00 1.60 H new ATOM 0 HG3 GLN A 142 14.907 8.029 -9.851 1.00 1.60 H new ATOM 0 HE21 GLN A 142 14.508 6.309 -8.466 1.00 2.91 H new ATOM 0 HE22 GLN A 142 12.943 6.058 -7.685 1.00 2.91 H new ATOM 2012 N GLU A 143 18.216 8.535 -6.974 1.00 0.80 N ATOM 2013 CA GLU A 143 19.571 8.163 -7.261 1.00 0.91 C ATOM 2014 C GLU A 143 19.872 6.852 -6.551 1.00 0.87 C ATOM 2015 O GLU A 143 20.470 5.938 -7.127 1.00 1.20 O ATOM 2016 CB GLU A 143 20.480 9.281 -6.782 1.00 1.04 C ATOM 2017 CG GLU A 143 19.898 10.657 -7.060 1.00 1.22 C ATOM 2018 CD GLU A 143 19.348 11.319 -5.814 1.00 1.94 C ATOM 2019 OE1 GLU A 143 19.015 10.599 -4.846 1.00 2.30 O ATOM 2020 OE2 GLU A 143 19.250 12.562 -5.792 1.00 2.70 O ATOM 0 H GLU A 143 18.050 8.760 -5.993 1.00 0.80 H new ATOM 0 HA GLU A 143 19.732 8.018 -8.329 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.653 9.172 -5.711 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.450 9.193 -7.272 1.00 1.04 H new ATOM 0 HG2 GLU A 143 20.669 11.293 -7.494 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.103 10.568 -7.801 1.00 1.22 H new ATOM 2027 N GLU A 144 19.415 6.779 -5.297 1.00 0.77 N ATOM 2028 CA GLU A 144 19.439 5.557 -4.494 1.00 0.77 C ATOM 2029 C GLU A 144 20.850 5.189 -4.037 1.00 0.82 C ATOM 2030 O GLU A 144 21.820 5.284 -4.790 1.00 1.16 O ATOM 2031 CB GLU A 144 18.799 4.388 -5.257 1.00 0.82 C ATOM 2032 CG GLU A 144 19.013 3.030 -4.605 1.00 1.04 C ATOM 2033 CD GLU A 144 18.208 2.849 -3.334 1.00 1.58 C ATOM 2034 OE1 GLU A 144 18.319 3.712 -2.438 1.00 2.34 O ATOM 2035 OE2 GLU A 144 17.451 1.857 -3.229 1.00 1.87 O ATOM 0 H GLU A 144 19.013 7.578 -4.807 1.00 0.77 H new ATOM 0 HA GLU A 144 18.851 5.757 -3.598 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.728 4.571 -5.349 1.00 0.82 H new ATOM 0 HB3 GLU A 144 19.206 4.362 -6.268 1.00 0.82 H new ATOM 0 HG2 GLU A 144 18.744 2.247 -5.314 1.00 1.04 H new ATOM 0 HG3 GLU A 144 20.072 2.905 -4.379 1.00 1.04 H new ATOM 2042 N VAL A 145 20.938 4.773 -2.782 1.00 0.63 N ATOM 2043 CA VAL A 145 22.184 4.329 -2.170 1.00 0.68 C ATOM 2044 C VAL A 145 21.850 3.395 -1.020 1.00 0.61 C ATOM 2045 O VAL A 145 20.792 3.527 -0.417 1.00 0.61 O ATOM 2046 CB VAL A 145 23.035 5.496 -1.611 1.00 0.78 C ATOM 2047 CG1 VAL A 145 24.343 5.626 -2.377 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.262 6.801 -1.648 1.00 0.88 C ATOM 0 H VAL A 145 20.137 4.733 -2.152 1.00 0.63 H new ATOM 0 HA VAL A 145 22.768 3.836 -2.947 1.00 0.68 H new ATOM 0 HB VAL A 145 23.268 5.271 -0.570 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.924 6.452 -1.967 1.00 0.99 H new ATOM 0 HG12 VAL A 145 24.912 4.701 -2.285 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.131 5.818 -3.429 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.883 7.603 -1.250 1.00 0.88 H new ATOM 0 HG22 VAL A 145 21.987 7.032 -2.677 1.00 0.88 H new ATOM 0 HG23 VAL A 145 21.360 6.707 -1.044 1.00 0.88 H new ATOM 2058 N GLU A 146 22.721 2.449 -0.714 1.00 0.66 N ATOM 2059 CA GLU A 146 22.499 1.614 0.453 1.00 0.68 C ATOM 2060 C GLU A 146 22.968 2.344 1.698 1.00 0.72 C ATOM 2061 O GLU A 146 23.920 3.125 1.646 1.00 0.75 O ATOM 2062 CB GLU A 146 23.207 0.267 0.353 1.00 0.79 C ATOM 2063 CG GLU A 146 22.945 -0.615 1.567 1.00 1.00 C ATOM 2064 CD GLU A 146 22.374 -1.963 1.208 1.00 1.10 C ATOM 2065 OE1 GLU A 146 21.766 -2.083 0.125 1.00 1.24 O ATOM 2066 OE2 GLU A 146 22.526 -2.905 2.006 1.00 1.53 O ATOM 0 H GLU A 146 23.569 2.243 -1.243 1.00 0.66 H new ATOM 0 HA GLU A 146 21.429 1.414 0.509 1.00 0.68 H new ATOM 0 HB2 GLU A 146 22.875 -0.250 -0.547 1.00 0.79 H new ATOM 0 HB3 GLU A 146 24.280 0.430 0.250 1.00 0.79 H new ATOM 0 HG2 GLU A 146 23.877 -0.756 2.114 1.00 1.00 H new ATOM 0 HG3 GLU A 146 22.256 -0.103 2.239 1.00 1.00 H new ATOM 2073 N LEU A 147 22.311 2.088 2.814 1.00 0.76 N ATOM 2074 CA LEU A 147 22.652 2.759 4.047 1.00 0.86 C ATOM 2075 C LEU A 147 23.560 1.890 4.905 1.00 1.01 C ATOM 2076 O LEU A 147 24.787 2.109 4.886 1.00 1.57 O ATOM 2077 CB LEU A 147 21.393 3.113 4.824 1.00 0.86 C ATOM 2078 CG LEU A 147 20.348 3.877 4.027 1.00 0.76 C ATOM 2079 CD1 LEU A 147 18.994 3.763 4.694 1.00 0.80 C ATOM 2080 CD2 LEU A 147 20.762 5.330 3.876 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.040 0.985 5.592 1.00 1.46 O ATOM 0 H LEU A 147 21.542 1.422 2.889 1.00 0.76 H new ATOM 0 HA LEU A 147 23.185 3.676 3.795 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.943 2.194 5.199 1.00 0.86 H new ATOM 0 HB3 LEU A 147 21.674 3.708 5.693 1.00 0.86 H new ATOM 0 HG LEU A 147 20.273 3.441 3.031 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.255 4.315 4.113 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.703 2.714 4.749 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.048 4.178 5.700 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.005 5.866 3.303 1.00 0.82 H new ATOM 0 HD22 LEU A 147 20.861 5.784 4.862 1.00 0.82 H new ATOM 0 HD23 LEU A 147 21.718 5.384 3.354 1.00 0.82 H new TER 2093 LEU A 147 ATOM 2094 N GLY B 311 -18.931 -0.397 7.593 1.00 2.17 N ATOM 2095 CA GLY B 311 -18.123 -1.295 6.733 1.00 1.75 C ATOM 2096 C GLY B 311 -17.876 -0.681 5.376 1.00 1.45 C ATOM 2097 O GLY B 311 -18.148 0.501 5.178 1.00 1.85 O ATOM 0 HA2 GLY B 311 -17.170 -1.505 7.218 1.00 1.75 H new ATOM 0 HA3 GLY B 311 -18.638 -2.248 6.615 1.00 1.75 H new HETATM 2101 OH ALY B 312 -11.366 -1.156 -1.513 1.00 1.52 O HETATM 2102 CH ALY B 312 -10.957 -1.177 -0.352 1.00 1.37 C HETATM 2103 CH3 ALY B 312 -9.561 -0.727 -0.013 1.00 1.86 C HETATM 2104 NZ ALY B 312 -11.699 -1.594 0.665 1.00 1.27 N HETATM 2105 CE ALY B 312 -13.071 -2.065 0.524 1.00 1.51 C HETATM 2106 CD ALY B 312 -13.948 -1.623 1.684 1.00 1.71 C HETATM 2107 CG ALY B 312 -15.399 -1.468 1.251 1.00 1.76 C HETATM 2108 CB ALY B 312 -16.361 -2.049 2.277 1.00 1.59 C HETATM 2109 CA ALY B 312 -17.098 -0.988 3.095 1.00 1.22 C HETATM 2110 N ALY B 312 -17.365 -1.475 4.442 1.00 1.27 N HETATM 2111 C ALY B 312 -18.401 -0.600 2.404 1.00 1.31 C HETATM 2112 O ALY B 312 -19.390 -1.331 2.473 1.00 1.71 O HETATM 0 HH33 ALY B 312 -8.840 -1.346 -0.546 1.00 1.86 H new HETATM 0 HH32 ALY B 312 -9.433 0.315 -0.307 1.00 1.86 H new HETATM 0 HH31 ALY B 312 -9.398 -0.823 1.060 1.00 1.86 H new HETATM 0 HZ ALY B 312 -11.287 -1.585 1.598 1.00 1.27 H new HETATM 0 HG3 ALY B 312 -15.547 -1.965 0.292 1.00 1.76 H new HETATM 0 HG2 ALY B 312 -15.622 -0.412 1.101 1.00 1.76 H new HETATM 0 HE3 ALY B 312 -13.076 -3.153 0.460 1.00 1.51 H new HETATM 0 HE2 ALY B 312 -13.489 -1.689 -0.410 1.00 1.51 H new HETATM 0 HD3 ALY B 312 -13.581 -0.676 2.080 1.00 1.71 H new HETATM 0 HD2 ALY B 312 -13.883 -2.353 2.491 1.00 1.71 H new HETATM 0 HCA ALY B 312 -16.464 -0.105 3.168 1.00 1.22 H new HETATM 0 HB3 ALY B 312 -15.807 -2.699 2.955 1.00 1.59 H new HETATM 0 HB2 ALY B 312 -17.093 -2.673 1.764 1.00 1.59 H new HETATM 0 H ALY B 312 -17.064 -2.411 4.715 1.00 1.27 H new ATOM 2127 N GLY B 313 -18.400 0.549 1.747 1.00 1.29 N ATOM 2128 CA GLY B 313 -19.604 1.044 1.117 1.00 1.46 C ATOM 2129 C GLY B 313 -20.252 2.134 1.940 1.00 1.36 C ATOM 2130 O GLY B 313 -21.187 1.865 2.699 1.00 1.97 O ATOM 0 H GLY B 313 -17.583 1.150 1.639 1.00 1.29 H new ATOM 0 HA2 GLY B 313 -19.365 1.429 0.125 1.00 1.46 H new ATOM 0 HA3 GLY B 313 -20.308 0.223 0.980 1.00 1.46 H new ATOM 2134 N LYS B 314 -19.747 3.361 1.773 1.00 1.20 N ATOM 2135 CA LYS B 314 -20.170 4.526 2.556 1.00 1.15 C ATOM 2136 C LYS B 314 -19.616 4.442 3.974 1.00 1.02 C ATOM 2137 O LYS B 314 -19.847 3.472 4.693 1.00 1.28 O ATOM 2138 CB LYS B 314 -21.694 4.673 2.581 1.00 1.53 C ATOM 2139 CG LYS B 314 -22.173 6.097 2.346 1.00 1.97 C ATOM 2140 CD LYS B 314 -21.923 6.542 0.913 1.00 2.24 C ATOM 2141 CE LYS B 314 -22.125 8.040 0.751 1.00 2.95 C ATOM 2142 NZ LYS B 314 -20.846 8.748 0.476 1.00 3.58 N ATOM 0 H LYS B 314 -19.026 3.575 1.084 1.00 1.20 H new ATOM 0 HA LYS B 314 -19.765 5.414 2.070 1.00 1.15 H new ATOM 0 HB2 LYS B 314 -22.126 4.023 1.820 1.00 1.53 H new ATOM 0 HB3 LYS B 314 -22.068 4.327 3.545 1.00 1.53 H new ATOM 0 HG2 LYS B 314 -23.238 6.165 2.568 1.00 1.97 H new ATOM 0 HG3 LYS B 314 -21.661 6.772 3.032 1.00 1.97 H new ATOM 0 HD2 LYS B 314 -20.907 6.277 0.621 1.00 2.24 H new ATOM 0 HD3 LYS B 314 -22.597 6.008 0.243 1.00 2.24 H new ATOM 0 HE2 LYS B 314 -22.825 8.225 -0.064 1.00 2.95 H new ATOM 0 HE3 LYS B 314 -22.576 8.445 1.657 1.00 2.95 H new ATOM 0 HZ1 LYS B 314 -21.037 9.756 0.305 1.00 3.58 H new ATOM 0 HZ2 LYS B 314 -20.212 8.649 1.294 1.00 3.58 H new ATOM 0 HZ3 LYS B 314 -20.394 8.334 -0.364 1.00 3.58 H new HETATM 2156 OH ALY B 315 -15.039 -0.182 6.775 1.00 1.76 O HETATM 2157 CH ALY B 315 -14.362 0.801 7.080 1.00 1.07 C HETATM 2158 CH3 ALY B 315 -13.249 0.689 8.086 1.00 1.45 C HETATM 2159 NZ ALY B 315 -14.558 2.005 6.555 1.00 1.04 N HETATM 2160 CE ALY B 315 -15.591 2.301 5.565 1.00 1.26 C HETATM 2161 CD ALY B 315 -15.448 3.700 4.983 1.00 1.06 C HETATM 2162 CG ALY B 315 -15.761 4.770 6.017 1.00 0.98 C HETATM 2163 CB ALY B 315 -16.715 5.818 5.470 1.00 0.92 C HETATM 2164 CA ALY B 315 -18.192 5.461 5.653 1.00 0.90 C HETATM 2165 N ALY B 315 -18.880 5.469 4.371 1.00 0.86 N HETATM 2166 C ALY B 315 -18.841 6.430 6.631 1.00 1.19 C HETATM 2167 O ALY B 315 -19.321 7.499 6.241 1.00 1.94 O HETATM 0 HH33 ALY B 315 -13.654 0.353 9.041 1.00 1.45 H new HETATM 0 HH32 ALY B 315 -12.510 -0.029 7.732 1.00 1.45 H new HETATM 0 HH31 ALY B 315 -12.776 1.663 8.215 1.00 1.45 H new HETATM 0 HZ ALY B 315 -13.953 2.767 6.860 1.00 1.04 H new HETATM 0 HG3 ALY B 315 -14.836 5.251 6.335 1.00 0.98 H new HETATM 0 HG2 ALY B 315 -16.199 4.305 6.901 1.00 0.98 H new HETATM 0 HE3 ALY B 315 -16.573 2.200 6.027 1.00 1.26 H new HETATM 0 HE2 ALY B 315 -15.541 1.568 4.760 1.00 1.26 H new HETATM 0 HD3 ALY B 315 -16.118 3.810 4.130 1.00 1.06 H new HETATM 0 HD2 ALY B 315 -14.433 3.838 4.611 1.00 1.06 H new HETATM 0 HCA ALY B 315 -18.268 4.455 6.065 1.00 0.90 H new HETATM 0 HB3 ALY B 315 -16.514 5.961 4.408 1.00 0.92 H new HETATM 0 HB2 ALY B 315 -16.517 6.770 5.963 1.00 0.92 H new HETATM 0 H ALY B 315 -18.367 5.694 3.518 1.00 0.86 H new ATOM 2182 N LYS B 316 -18.850 6.050 7.899 1.00 1.45 N ATOM 2183 CA LYS B 316 -19.410 6.884 8.949 1.00 1.75 C ATOM 2184 C LYS B 316 -18.311 7.310 9.914 1.00 2.25 C ATOM 2185 O LYS B 316 -17.151 6.895 9.710 1.00 2.57 O ATOM 2186 CB LYS B 316 -20.506 6.127 9.701 1.00 2.43 C ATOM 2187 CG LYS B 316 -21.693 6.995 10.088 1.00 2.91 C ATOM 2188 CD LYS B 316 -22.597 7.263 8.896 1.00 3.60 C ATOM 2189 CE LYS B 316 -23.540 8.425 9.164 1.00 4.12 C ATOM 2190 NZ LYS B 316 -24.901 8.172 8.623 1.00 4.60 N ATOM 0 H LYS B 316 -18.472 5.161 8.227 1.00 1.45 H new ATOM 0 HA LYS B 316 -19.849 7.773 8.496 1.00 1.75 H new ATOM 0 HB2 LYS B 316 -20.857 5.303 9.080 1.00 2.43 H new ATOM 0 HB3 LYS B 316 -20.079 5.688 10.603 1.00 2.43 H new ATOM 0 HG2 LYS B 316 -22.264 6.503 10.876 1.00 2.91 H new ATOM 0 HG3 LYS B 316 -21.336 7.941 10.496 1.00 2.91 H new ATOM 0 HD2 LYS B 316 -21.989 7.481 8.018 1.00 3.60 H new ATOM 0 HD3 LYS B 316 -23.176 6.368 8.668 1.00 3.60 H new ATOM 0 HE2 LYS B 316 -23.603 8.601 10.238 1.00 4.12 H new ATOM 0 HE3 LYS B 316 -23.134 9.332 8.716 1.00 4.12 H new ATOM 0 HZ1 LYS B 316 -25.513 8.988 8.827 1.00 4.60 H new ATOM 0 HZ2 LYS B 316 -24.845 8.030 7.594 1.00 4.60 H new ATOM 0 HZ3 LYS B 316 -25.299 7.321 9.069 1.00 4.60 H new TER 2204 LYS B 316