USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 CYS SG : rot -55:sc= -7.08! USER MOD Set 1.2: A 60 CYS SG : rot -154:sc= -0.904 USER MOD Set 1.3: A 61 GLN : amide:sc= 0.34 K(o=-7.6,f=-12!) USER MOD Set 2.1: A 50 CYS SG : rot -140:sc= -0.466 USER MOD Set 2.2: A 63 CYS SG : rot 150:sc= -3.66! USER MOD Set 3.1: A 48 LYS NZ :NH3+ 170:sc= 0.44 (180deg=-0.633) USER MOD Set 3.2: A 49 ASN : amide:sc= 0.646 K(o=1.1,f=-5.7!) USER MOD Set 4.1: A 40 MET CE :methyl -131:sc= -0.327 (180deg=-0.682) USER MOD Set 4.2: A 42 TYR OH : rot -127:sc= 0.199 USER MOD Set 4.3: A 66 GLN : amide:sc= -1.55! C(o=-1.7!,f=-2.7!) USER MOD Set 5.1: A 37 GLN : amide:sc= 1.26 K(o=-2.6,f=-13!) USER MOD Set 5.2: A 75 LYS NZ :NH3+ 153:sc= -3.89! (180deg=-5.4!) USER MOD Set 6.1: A 18 TYR OH : rot -172:sc= -3.78! USER MOD Set 6.2: A 19 HIS : no HE2:sc= -1.07 K(o=-4.8,f=-7.3) USER MOD Set 6.3: A 29 LYS NZ :NH3+ 159:sc= 0.0398 (180deg=0) USER MOD Set 7.1: A 8 CYS SG : rot 61:sc= -3.67! USER MOD Set 7.2: A 11 CYS SG : rot -38:sc= -0.798 USER MOD Set 7.3: A 25 CYS SG : rot -33:sc= -0.181 USER MOD Set 7.4: A 28 CYS SG : rot 177:sc= 1.74 USER MOD Set 7.5: A 68 CYS SG : rot -137:sc= -0.459 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.516 K(o=0.52,f=0) USER MOD Single : A 16 SER OG : rot 75:sc= 0.717 USER MOD Single : A 20 TYR OH : rot -129:sc= -1.91! USER MOD Single : A 23 SER OG : rot 150:sc= 0 USER MOD Single : A 35 SER OG : rot -150:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.323 K(o=-0.32,f=-2.3!) USER MOD Single : A 43 THR OG1 : rot -4:sc= 0.428 USER MOD Single : A 45 HIS : no HE2:sc= -0.621 X(o=-0.62,f=-0.79) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.534 F(o=-5.4!,f=-0.53) USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= -5.62! (180deg=-5.69!) USER MOD Single : A 56 THR OG1 : rot 33:sc= -4.87! USER MOD Single : A 58 ASN : amide:sc= 0.533 K(o=0.53,f=-0.75) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.57) USER MOD Single : A 73 MET CE :methyl 168:sc= -1.92 (180deg=-2.32) USER MOD Single : A 74 SER OG : rot -54:sc= 1.26 USER MOD Single : A 77 SER OG : rot 43:sc= 0.561 USER MOD Single : A 80 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.713 9.400 -0.611 1.00 0.00 N ATOM 47 CA LYS A 6 6.803 8.287 -0.304 1.00 0.00 C ATOM 48 C LYS A 6 6.341 7.311 -1.393 1.00 0.00 C ATOM 49 O LYS A 6 6.170 6.180 -0.969 1.00 0.00 O ATOM 50 CB LYS A 6 5.676 8.623 0.657 1.00 0.00 C ATOM 51 CG LYS A 6 5.427 10.129 0.775 1.00 0.00 C ATOM 52 CD LYS A 6 6.235 10.811 1.897 1.00 0.00 C ATOM 53 CE LYS A 6 6.070 12.326 1.862 1.00 0.00 C ATOM 54 NZ LYS A 6 6.969 12.957 2.833 1.00 0.00 N ATOM 0 HA LYS A 6 7.554 7.681 0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.761 8.133 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.912 8.220 1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.672 10.603 -0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.365 10.299 0.951 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.908 10.431 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.290 10.556 1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.285 12.699 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.037 12.592 2.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.847 13.989 2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.745 12.613 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.954 12.717 2.601 1.00 0.00 H new ATOM 55 N PRO A 7 5.665 7.723 -2.471 1.00 0.00 N ATOM 56 CA PRO A 7 4.488 8.585 -2.492 1.00 0.00 C ATOM 57 C PRO A 7 3.238 7.813 -2.087 1.00 0.00 C ATOM 58 O PRO A 7 2.156 8.136 -2.549 1.00 0.00 O ATOM 59 CB PRO A 7 4.370 9.056 -3.932 1.00 0.00 C ATOM 60 CG PRO A 7 5.005 7.942 -4.761 1.00 0.00 C ATOM 61 CD PRO A 7 6.154 7.540 -3.841 1.00 0.00 C ATOM 0 HA PRO A 7 4.584 9.413 -1.790 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.329 9.213 -4.213 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.887 10.004 -4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.315 7.119 -4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.354 8.294 -5.732 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.447 6.505 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.034 8.156 -4.026 1.00 0.00 H new ATOM 62 N CYS A 8 3.416 6.905 -1.162 1.00 0.00 N ATOM 63 CA CYS A 8 2.668 5.630 -1.200 1.00 0.00 C ATOM 64 C CYS A 8 1.718 5.125 -0.118 1.00 0.00 C ATOM 65 O CYS A 8 0.719 4.506 -0.475 1.00 0.00 O ATOM 66 CB CYS A 8 3.700 4.569 -1.482 1.00 0.00 C ATOM 67 SG CYS A 8 2.958 2.969 -1.919 1.00 0.00 S ATOM 0 H CYS A 8 4.058 7.002 -0.375 1.00 0.00 H new ATOM 0 HA CYS A 8 1.901 5.863 -1.939 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.344 4.901 -2.297 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.335 4.443 -0.605 1.00 0.00 H new ATOM 0 HG CYS A 8 2.245 3.102 -2.998 1.00 0.00 H new ATOM 68 N PHE A 9 1.891 5.355 1.181 1.00 0.00 N ATOM 69 CA PHE A 9 2.886 6.222 1.817 1.00 0.00 C ATOM 70 C PHE A 9 4.248 5.573 2.216 1.00 0.00 C ATOM 71 O PHE A 9 5.161 6.224 2.725 1.00 0.00 O ATOM 72 CB PHE A 9 2.196 6.965 2.975 1.00 0.00 C ATOM 73 CG PHE A 9 3.061 7.794 3.911 1.00 0.00 C ATOM 74 CD1 PHE A 9 3.372 9.091 3.479 1.00 0.00 C ATOM 75 CD2 PHE A 9 3.085 7.481 5.291 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.648 10.110 4.390 1.00 0.00 C ATOM 77 CE2 PHE A 9 3.316 8.499 6.239 1.00 0.00 C ATOM 78 CZ PHE A 9 3.574 9.811 5.771 1.00 0.00 C ATOM 0 H PHE A 9 1.292 4.905 1.874 1.00 0.00 H new ATOM 0 HA PHE A 9 3.225 6.921 1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.442 7.625 2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.667 6.226 3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.398 9.305 2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.927 6.464 5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.911 11.101 4.051 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.297 8.284 7.297 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.718 10.605 6.488 1.00 0.00 H new ATOM 79 N VAL A 10 4.459 4.406 1.620 1.00 0.00 N ATOM 80 CA VAL A 10 5.471 3.414 2.049 1.00 0.00 C ATOM 81 C VAL A 10 6.532 2.932 1.023 1.00 0.00 C ATOM 82 O VAL A 10 7.718 2.937 1.331 1.00 0.00 O ATOM 83 CB VAL A 10 4.545 2.324 2.575 1.00 0.00 C ATOM 84 CG1 VAL A 10 4.972 0.864 2.543 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.874 2.631 3.929 1.00 0.00 C ATOM 0 H VAL A 10 3.925 4.104 0.805 1.00 0.00 H new ATOM 0 HA VAL A 10 6.184 3.832 2.760 1.00 0.00 H new ATOM 0 HB VAL A 10 3.824 2.396 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.179 0.244 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.164 0.564 1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.880 0.737 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.236 1.795 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.641 2.781 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.271 3.534 3.840 1.00 0.00 H new ATOM 86 N CYS A 11 6.113 2.954 -0.240 1.00 0.00 N ATOM 87 CA CYS A 11 6.827 2.498 -1.457 1.00 0.00 C ATOM 88 C CYS A 11 7.251 3.832 -2.101 1.00 0.00 C ATOM 89 O CYS A 11 6.582 4.485 -2.899 1.00 0.00 O ATOM 90 CB CYS A 11 5.853 1.661 -2.313 1.00 0.00 C ATOM 91 SG CYS A 11 6.098 1.693 -4.128 1.00 0.00 S ATOM 0 H CYS A 11 5.189 3.320 -0.471 1.00 0.00 H new ATOM 0 HA CYS A 11 7.689 1.849 -1.301 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.916 0.625 -1.981 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.839 2.002 -2.102 1.00 0.00 H new ATOM 0 HG CYS A 11 6.443 2.890 -4.498 1.00 0.00 H new ATOM 92 N GLN A 12 8.506 4.057 -1.769 1.00 0.00 N ATOM 93 CA GLN A 12 9.077 5.258 -1.143 1.00 0.00 C ATOM 94 C GLN A 12 9.853 6.174 -2.113 1.00 0.00 C ATOM 95 O GLN A 12 11.051 6.018 -2.346 1.00 0.00 O ATOM 96 CB GLN A 12 9.961 4.700 -0.015 1.00 0.00 C ATOM 97 CG GLN A 12 10.497 5.594 1.091 1.00 0.00 C ATOM 98 CD GLN A 12 9.407 6.302 1.922 1.00 0.00 C ATOM 99 OE1 GLN A 12 9.579 7.402 2.432 1.00 0.00 O ATOM 100 NE2 GLN A 12 8.280 5.654 2.166 1.00 0.00 N ATOM 0 H GLN A 12 9.223 3.352 -1.940 1.00 0.00 H new ATOM 0 HA GLN A 12 8.295 5.924 -0.779 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.393 3.905 0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.823 4.233 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.114 4.994 1.760 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.147 6.349 0.649 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.119 4.737 1.750 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.572 6.072 2.770 1.00 0.00 H new ATOM 124 N SER A 16 2.145 11.868 -4.693 1.00 0.00 N ATOM 125 CA SER A 16 1.267 11.967 -5.877 1.00 0.00 C ATOM 126 C SER A 16 -0.210 12.293 -5.551 1.00 0.00 C ATOM 127 O SER A 16 -1.088 11.437 -5.644 1.00 0.00 O ATOM 128 CB SER A 16 1.388 10.672 -6.681 1.00 0.00 C ATOM 129 OG SER A 16 1.254 9.556 -5.792 1.00 0.00 O ATOM 0 HA SER A 16 1.607 12.819 -6.466 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.618 10.634 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.351 10.634 -7.190 1.00 0.00 H new ATOM 0 HG SER A 16 0.313 9.449 -5.541 1.00 0.00 H new ATOM 130 N GLY A 17 -0.428 13.517 -5.067 1.00 0.00 N ATOM 131 CA GLY A 17 -1.791 14.102 -4.892 1.00 0.00 C ATOM 132 C GLY A 17 -1.926 15.234 -3.847 1.00 0.00 C ATOM 133 O GLY A 17 -1.199 16.228 -3.929 1.00 0.00 O ATOM 0 H GLY A 17 0.324 14.144 -4.781 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.124 14.486 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.474 13.299 -4.616 1.00 0.00 H new ATOM 134 N TYR A 18 -2.709 15.049 -2.772 1.00 0.00 N ATOM 135 CA TYR A 18 -3.264 13.741 -2.392 1.00 0.00 C ATOM 136 C TYR A 18 -4.805 13.518 -2.338 1.00 0.00 C ATOM 137 O TYR A 18 -5.584 14.459 -2.254 1.00 0.00 O ATOM 138 CB TYR A 18 -2.583 13.159 -1.142 1.00 0.00 C ATOM 139 CG TYR A 18 -2.380 11.648 -1.324 1.00 0.00 C ATOM 140 CD1 TYR A 18 -1.913 11.232 -2.594 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.196 10.787 -0.548 1.00 0.00 C ATOM 142 CE1 TYR A 18 -2.456 10.103 -3.198 1.00 0.00 C ATOM 143 CE2 TYR A 18 -3.670 9.586 -1.105 1.00 0.00 C ATOM 144 CZ TYR A 18 -3.342 9.304 -2.449 1.00 0.00 C ATOM 145 OH TYR A 18 -4.030 8.319 -3.077 1.00 0.00 O ATOM 0 H TYR A 18 -2.975 15.805 -2.141 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.006 13.180 -3.290 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.623 13.648 -0.977 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.194 13.351 -0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.136 11.791 -3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.453 11.052 0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.205 9.845 -4.216 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.267 8.900 -0.522 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.691 7.939 -2.462 1.00 0.00 H new ATOM 146 N HIS A 19 -5.147 12.250 -2.611 1.00 0.00 N ATOM 147 CA HIS A 19 -6.503 11.654 -2.559 1.00 0.00 C ATOM 148 C HIS A 19 -6.931 11.326 -1.109 1.00 0.00 C ATOM 149 O HIS A 19 -6.967 12.219 -0.265 1.00 0.00 O ATOM 150 CB HIS A 19 -6.455 10.387 -3.450 1.00 0.00 C ATOM 151 CG HIS A 19 -5.944 10.636 -4.871 1.00 0.00 C ATOM 152 ND1 HIS A 19 -6.169 11.692 -5.642 1.00 0.00 N ATOM 153 CD2 HIS A 19 -4.994 9.906 -5.453 1.00 0.00 C ATOM 154 CE1 HIS A 19 -5.364 11.622 -6.703 1.00 0.00 C ATOM 155 NE2 HIS A 19 -4.653 10.501 -6.581 1.00 0.00 N ATOM 0 H HIS A 19 -4.445 11.566 -2.892 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.252 12.356 -2.925 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -5.816 9.644 -2.972 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.456 9.958 -3.506 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -6.844 12.433 -5.455 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.576 8.987 -5.069 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.300 12.338 -7.509 1.00 0.00 H new ATOM 156 N TYR A 20 -7.051 10.040 -0.750 1.00 0.00 N ATOM 157 CA TYR A 20 -7.630 9.600 0.537 1.00 0.00 C ATOM 158 C TYR A 20 -6.653 9.352 1.701 1.00 0.00 C ATOM 159 O TYR A 20 -5.919 8.369 1.683 1.00 0.00 O ATOM 160 CB TYR A 20 -8.631 8.434 0.394 1.00 0.00 C ATOM 161 CG TYR A 20 -8.413 7.397 -0.714 1.00 0.00 C ATOM 162 CD1 TYR A 20 -7.270 6.564 -0.776 1.00 0.00 C ATOM 163 CD2 TYR A 20 -9.374 7.413 -1.754 1.00 0.00 C ATOM 164 CE1 TYR A 20 -7.068 5.762 -1.907 1.00 0.00 C ATOM 165 CE2 TYR A 20 -9.194 6.574 -2.867 1.00 0.00 C ATOM 166 CZ TYR A 20 -8.046 5.763 -2.929 1.00 0.00 C ATOM 167 OH TYR A 20 -7.782 5.073 -4.065 1.00 0.00 O ATOM 0 H TYR A 20 -6.749 9.268 -1.344 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.176 10.495 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -8.652 7.900 1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.621 8.866 0.249 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.562 6.547 0.039 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.235 8.062 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.180 5.153 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.925 6.552 -3.662 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.935 5.651 -4.842 1.00 0.00 H new ATOM 168 N GLY A 21 -6.508 10.382 2.520 1.00 0.00 N ATOM 169 CA GLY A 21 -5.995 10.319 3.922 1.00 0.00 C ATOM 170 C GLY A 21 -4.475 10.211 4.140 1.00 0.00 C ATOM 171 O GLY A 21 -3.943 10.694 5.149 1.00 0.00 O ATOM 0 H GLY A 21 -6.748 11.332 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.343 11.211 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.462 9.463 4.409 1.00 0.00 H new ATOM 172 N VAL A 22 -3.799 9.637 3.161 1.00 0.00 N ATOM 173 CA VAL A 22 -2.363 9.279 3.172 1.00 0.00 C ATOM 174 C VAL A 22 -1.594 10.160 2.161 1.00 0.00 C ATOM 175 O VAL A 22 -1.860 11.349 1.998 1.00 0.00 O ATOM 176 CB VAL A 22 -2.356 7.749 2.912 1.00 0.00 C ATOM 177 CG1 VAL A 22 -2.920 7.371 1.558 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.087 6.962 2.810 1.00 0.00 C ATOM 0 H VAL A 22 -4.249 9.388 2.280 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.836 9.475 4.106 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.898 7.507 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.886 6.288 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.953 7.712 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.327 7.841 0.773 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.323 5.914 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.484 7.348 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.528 7.050 3.742 1.00 0.00 H new ATOM 179 N SER A 23 -0.457 9.626 1.755 1.00 0.00 N ATOM 180 CA SER A 23 0.165 9.860 0.443 1.00 0.00 C ATOM 181 C SER A 23 0.095 8.512 -0.277 1.00 0.00 C ATOM 182 O SER A 23 0.420 7.490 0.322 1.00 0.00 O ATOM 183 CB SER A 23 1.634 10.184 0.614 1.00 0.00 C ATOM 184 OG SER A 23 2.241 10.488 -0.639 1.00 0.00 O ATOM 0 H SER A 23 0.086 8.994 2.342 1.00 0.00 H new ATOM 0 HA SER A 23 -0.330 10.675 -0.084 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.747 11.031 1.291 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.145 9.338 1.074 1.00 0.00 H new ATOM 0 HG SER A 23 2.975 11.123 -0.502 1.00 0.00 H new ATOM 185 N ALA A 24 -0.609 8.465 -1.394 1.00 0.00 N ATOM 186 CA ALA A 24 -0.584 7.256 -2.227 1.00 0.00 C ATOM 187 C ALA A 24 -0.127 7.415 -3.673 1.00 0.00 C ATOM 188 O ALA A 24 -0.670 8.200 -4.440 1.00 0.00 O ATOM 189 CB ALA A 24 -1.856 6.381 -2.185 1.00 0.00 C ATOM 0 H ALA A 24 -1.193 9.223 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 24 0.212 6.724 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.725 5.517 -2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.031 6.042 -1.164 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.711 6.965 -2.525 1.00 0.00 H new ATOM 190 N CYS A 25 0.551 6.340 -4.057 1.00 0.00 N ATOM 191 CA CYS A 25 1.601 6.323 -5.097 1.00 0.00 C ATOM 192 C CYS A 25 1.090 6.322 -6.548 1.00 0.00 C ATOM 193 O CYS A 25 1.832 6.082 -7.504 1.00 0.00 O ATOM 194 CB CYS A 25 2.299 4.993 -4.844 1.00 0.00 C ATOM 195 SG CYS A 25 3.720 4.419 -5.847 1.00 0.00 S ATOM 0 H CYS A 25 0.388 5.421 -3.646 1.00 0.00 H new ATOM 0 HA CYS A 25 2.211 7.223 -5.020 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.636 5.010 -3.808 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.534 4.220 -4.917 1.00 0.00 H new ATOM 0 HG CYS A 25 3.587 4.841 -7.069 1.00 0.00 H new ATOM 196 N GLU A 26 -0.156 6.744 -6.663 1.00 0.00 N ATOM 197 CA GLU A 26 -1.015 6.857 -7.876 1.00 0.00 C ATOM 198 C GLU A 26 -1.325 5.454 -8.417 1.00 0.00 C ATOM 199 O GLU A 26 -2.441 4.965 -8.233 1.00 0.00 O ATOM 200 CB GLU A 26 -0.398 7.797 -8.911 1.00 0.00 C ATOM 201 CG GLU A 26 -1.335 8.983 -9.174 1.00 0.00 C ATOM 202 CD GLU A 26 -0.762 9.909 -10.243 1.00 0.00 C ATOM 203 OE1 GLU A 26 -0.017 10.841 -9.851 1.00 0.00 O ATOM 204 OE2 GLU A 26 -1.083 9.681 -11.425 1.00 0.00 O ATOM 0 H GLU A 26 -0.664 7.053 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.968 7.316 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.567 8.158 -8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.214 7.257 -9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.311 8.616 -9.492 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.489 9.541 -8.250 1.00 0.00 H new ATOM 205 N GLY A 27 -0.239 4.733 -8.675 1.00 0.00 N ATOM 206 CA GLY A 27 -0.229 3.270 -8.845 1.00 0.00 C ATOM 207 C GLY A 27 -0.846 2.587 -7.611 1.00 0.00 C ATOM 208 O GLY A 27 -1.770 1.798 -7.769 1.00 0.00 O ATOM 0 H GLY A 27 0.685 5.153 -8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.789 2.997 -9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.793 2.920 -8.990 1.00 0.00 H new ATOM 209 N CYS A 28 -0.506 3.061 -6.409 1.00 0.00 N ATOM 210 CA CYS A 28 -1.029 2.447 -5.177 1.00 0.00 C ATOM 211 C CYS A 28 -2.501 2.682 -4.829 1.00 0.00 C ATOM 212 O CYS A 28 -3.134 1.727 -4.408 1.00 0.00 O ATOM 213 CB CYS A 28 -0.161 2.441 -3.954 1.00 0.00 C ATOM 214 SG CYS A 28 1.356 1.468 -4.333 1.00 0.00 S ATOM 0 H CYS A 28 0.118 3.854 -6.259 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.979 1.424 -5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.102 3.460 -3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.694 2.001 -3.111 1.00 0.00 H new ATOM 0 HG CYS A 28 2.157 1.496 -3.309 1.00 0.00 H new ATOM 215 N LYS A 29 -3.032 3.873 -5.086 1.00 0.00 N ATOM 216 CA LYS A 29 -4.494 4.103 -4.958 1.00 0.00 C ATOM 217 C LYS A 29 -5.297 3.228 -5.958 1.00 0.00 C ATOM 218 O LYS A 29 -6.254 2.563 -5.568 1.00 0.00 O ATOM 219 CB LYS A 29 -4.808 5.595 -5.006 1.00 0.00 C ATOM 220 CG LYS A 29 -4.512 6.358 -6.310 1.00 0.00 C ATOM 221 CD LYS A 29 -5.719 6.367 -7.262 1.00 0.00 C ATOM 222 CE LYS A 29 -5.413 7.007 -8.614 1.00 0.00 C ATOM 223 NZ LYS A 29 -5.162 8.451 -8.501 1.00 0.00 N ATOM 0 H LYS A 29 -2.496 4.690 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.830 3.768 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.867 5.720 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.251 6.079 -4.203 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.230 7.384 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.659 5.901 -6.811 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.057 5.343 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.542 6.905 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.542 6.522 -9.055 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.249 6.837 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.626 8.776 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.069 8.958 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.613 8.642 -7.638 1.00 0.00 H new ATOM 224 N GLY A 30 -4.721 3.056 -7.160 1.00 0.00 N ATOM 225 CA GLY A 30 -5.183 2.093 -8.179 1.00 0.00 C ATOM 226 C GLY A 30 -5.165 0.645 -7.646 1.00 0.00 C ATOM 227 O GLY A 30 -6.224 0.059 -7.426 1.00 0.00 O ATOM 0 H GLY A 30 -3.906 3.592 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.194 2.353 -8.493 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.547 2.164 -9.061 1.00 0.00 H new ATOM 228 N PHE A 31 -3.977 0.195 -7.254 1.00 0.00 N ATOM 229 CA PHE A 31 -3.721 -1.083 -6.550 1.00 0.00 C ATOM 230 C PHE A 31 -4.660 -1.373 -5.368 1.00 0.00 C ATOM 231 O PHE A 31 -5.104 -2.509 -5.169 1.00 0.00 O ATOM 232 CB PHE A 31 -2.244 -1.062 -6.156 1.00 0.00 C ATOM 233 CG PHE A 31 -1.780 -1.918 -4.964 1.00 0.00 C ATOM 234 CD1 PHE A 31 -1.985 -1.403 -3.660 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.241 -3.216 -5.148 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.751 -2.205 -2.540 1.00 0.00 C ATOM 237 CE2 PHE A 31 -0.957 -4.012 -4.012 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.251 -3.513 -2.717 1.00 0.00 C ATOM 0 H PHE A 31 -3.121 0.725 -7.420 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.942 -1.916 -7.218 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.666 -1.370 -7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.974 -0.027 -5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.324 -0.386 -3.531 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.049 -3.593 -6.142 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.951 -1.828 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.520 -4.992 -4.131 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.090 -4.143 -1.855 1.00 0.00 H new ATOM 239 N PHE A 32 -5.029 -0.301 -4.685 1.00 0.00 N ATOM 240 CA PHE A 32 -5.726 -0.348 -3.382 1.00 0.00 C ATOM 241 C PHE A 32 -7.127 -0.874 -3.655 1.00 0.00 C ATOM 242 O PHE A 32 -7.408 -2.031 -3.331 1.00 0.00 O ATOM 243 CB PHE A 32 -5.616 1.099 -2.870 1.00 0.00 C ATOM 244 CG PHE A 32 -5.196 1.198 -1.427 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.044 0.477 -1.017 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.057 1.809 -0.494 1.00 0.00 C ATOM 247 CE1 PHE A 32 -3.829 0.262 0.359 1.00 0.00 C ATOM 248 CE2 PHE A 32 -5.857 1.548 0.851 1.00 0.00 C ATOM 249 CZ PHE A 32 -4.776 0.744 1.275 1.00 0.00 C ATOM 0 H PHE A 32 -4.856 0.649 -5.015 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.327 -1.009 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.898 1.640 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.579 1.594 -2.994 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.344 0.099 -1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.852 2.464 -0.819 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.951 -0.265 0.702 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.534 1.963 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.677 0.496 2.321 1.00 0.00 H new ATOM 250 N ARG A 33 -7.835 -0.196 -4.567 1.00 0.00 N ATOM 251 CA ARG A 33 -9.110 -0.714 -5.100 1.00 0.00 C ATOM 252 C ARG A 33 -9.006 -2.024 -5.895 1.00 0.00 C ATOM 253 O ARG A 33 -9.763 -2.960 -5.666 1.00 0.00 O ATOM 254 CB ARG A 33 -9.913 0.316 -5.882 1.00 0.00 C ATOM 255 CG ARG A 33 -9.223 1.045 -7.030 1.00 0.00 C ATOM 256 CD ARG A 33 -10.223 2.045 -7.608 1.00 0.00 C ATOM 257 NE ARG A 33 -10.435 3.191 -6.701 1.00 0.00 N ATOM 258 CZ ARG A 33 -9.798 4.359 -6.712 1.00 0.00 C ATOM 259 NH1 ARG A 33 -8.810 4.633 -7.559 1.00 0.00 N ATOM 260 NH2 ARG A 33 -10.210 5.329 -5.902 1.00 0.00 N ATOM 0 H ARG A 33 -7.553 0.706 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.659 -0.951 -4.189 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.793 -0.184 -6.286 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.269 1.067 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.329 1.558 -6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.902 0.338 -7.795 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.862 2.405 -8.571 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.174 1.545 -7.791 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.151 3.074 -5.984 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.511 3.933 -8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.351 5.543 -7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.005 5.173 -5.283 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.731 6.230 -5.900 1.00 0.00 H new ATOM 261 N ARG A 34 -7.930 -2.108 -6.651 1.00 0.00 N ATOM 262 CA ARG A 34 -7.626 -3.267 -7.499 1.00 0.00 C ATOM 263 C ARG A 34 -7.292 -4.595 -6.798 1.00 0.00 C ATOM 264 O ARG A 34 -6.882 -5.579 -7.417 1.00 0.00 O ATOM 265 CB ARG A 34 -6.482 -2.888 -8.453 1.00 0.00 C ATOM 266 CG ARG A 34 -6.897 -2.956 -9.936 1.00 0.00 C ATOM 267 CD ARG A 34 -7.142 -4.370 -10.451 1.00 0.00 C ATOM 268 NE ARG A 34 -7.677 -4.281 -11.815 1.00 0.00 N ATOM 269 CZ ARG A 34 -8.617 -5.077 -12.356 1.00 0.00 C ATOM 270 NH1 ARG A 34 -9.133 -6.104 -11.713 1.00 0.00 N ATOM 271 NH2 ARG A 34 -9.160 -4.743 -13.511 1.00 0.00 N ATOM 0 H ARG A 34 -7.227 -1.370 -6.702 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.563 -3.482 -8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.140 -1.879 -8.221 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.638 -3.557 -8.285 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.804 -2.368 -10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.119 -2.490 -10.541 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.214 -4.942 -10.444 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.844 -4.894 -9.802 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.299 -3.544 -12.411 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.822 -6.322 -10.766 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.844 -6.682 -12.162 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.866 -3.889 -13.985 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.874 -5.339 -13.930 1.00 0.00 H new ATOM 272 N SER A 35 -7.183 -4.508 -5.473 1.00 0.00 N ATOM 273 CA SER A 35 -7.487 -5.644 -4.609 1.00 0.00 C ATOM 274 C SER A 35 -8.820 -5.460 -3.887 1.00 0.00 C ATOM 275 O SER A 35 -9.814 -6.038 -4.314 1.00 0.00 O ATOM 276 CB SER A 35 -6.368 -5.896 -3.623 1.00 0.00 C ATOM 277 OG SER A 35 -5.214 -6.403 -4.309 1.00 0.00 O ATOM 0 H SER A 35 -6.888 -3.666 -4.978 1.00 0.00 H new ATOM 0 HA SER A 35 -7.577 -6.523 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.115 -4.972 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.693 -6.609 -2.866 1.00 0.00 H new ATOM 0 HG SER A 35 -4.707 -6.988 -3.708 1.00 0.00 H new ATOM 278 N ILE A 36 -8.872 -4.445 -3.035 1.00 0.00 N ATOM 279 CA ILE A 36 -9.920 -4.324 -2.006 1.00 0.00 C ATOM 280 C ILE A 36 -11.346 -4.303 -2.536 1.00 0.00 C ATOM 281 O ILE A 36 -12.126 -5.212 -2.259 1.00 0.00 O ATOM 282 CB ILE A 36 -9.689 -3.119 -1.090 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.315 -3.246 -0.453 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.677 -2.955 0.055 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.826 -1.860 -0.107 1.00 0.00 C ATOM 0 H ILE A 36 -8.197 -3.681 -3.030 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.824 -5.245 -1.431 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.807 -2.253 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.367 -3.865 0.442 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.622 -3.734 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.417 -2.071 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.684 -2.842 -0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.639 -3.835 0.697 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.840 -1.926 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.764 -1.259 -1.014 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.521 -1.393 0.591 1.00 0.00 H new ATOM 286 N GLN A 37 -11.524 -3.417 -3.512 1.00 0.00 N ATOM 287 CA GLN A 37 -12.855 -3.023 -3.996 1.00 0.00 C ATOM 288 C GLN A 37 -13.632 -4.201 -4.620 1.00 0.00 C ATOM 289 O GLN A 37 -14.855 -4.267 -4.549 1.00 0.00 O ATOM 290 CB GLN A 37 -12.588 -1.957 -5.043 1.00 0.00 C ATOM 291 CG GLN A 37 -13.836 -1.201 -5.432 1.00 0.00 C ATOM 292 CD GLN A 37 -13.536 -0.190 -6.546 1.00 0.00 C ATOM 293 OE1 GLN A 37 -13.728 1.010 -6.401 1.00 0.00 O ATOM 294 NE2 GLN A 37 -12.961 -0.640 -7.636 1.00 0.00 N ATOM 0 H GLN A 37 -10.755 -2.950 -3.992 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.476 -2.669 -3.173 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -11.847 -1.255 -4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.159 -2.423 -5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.601 -1.901 -5.767 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.238 -0.682 -4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.803 -1.641 -7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.672 0.011 -8.366 1.00 0.00 H new ATOM 295 N LYS A 38 -12.837 -5.021 -5.286 1.00 0.00 N ATOM 296 CA LYS A 38 -13.257 -6.083 -6.210 1.00 0.00 C ATOM 297 C LYS A 38 -12.759 -7.501 -5.885 1.00 0.00 C ATOM 298 O LYS A 38 -13.556 -8.393 -5.579 1.00 0.00 O ATOM 299 CB LYS A 38 -12.834 -5.577 -7.602 1.00 0.00 C ATOM 300 CG LYS A 38 -11.355 -5.166 -7.722 1.00 0.00 C ATOM 301 CD LYS A 38 -10.977 -4.716 -9.137 1.00 0.00 C ATOM 302 CE LYS A 38 -11.353 -3.261 -9.422 1.00 0.00 C ATOM 303 NZ LYS A 38 -10.874 -2.957 -10.786 1.00 0.00 N ATOM 0 H LYS A 38 -11.822 -4.968 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.333 -6.240 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.039 -6.358 -8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.456 -4.722 -7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.149 -4.357 -7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.724 -6.006 -7.432 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.904 -4.842 -9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.472 -5.362 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.431 -3.119 -9.350 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.894 -2.593 -8.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.109 -1.972 -11.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.843 -3.087 -10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.333 -3.597 -11.466 1.00 0.00 H new ATOM 304 N ASN A 39 -11.444 -7.665 -5.866 1.00 0.00 N ATOM 305 CA ASN A 39 -10.794 -8.979 -5.959 1.00 0.00 C ATOM 306 C ASN A 39 -9.702 -9.363 -4.934 1.00 0.00 C ATOM 307 O ASN A 39 -8.691 -9.984 -5.271 1.00 0.00 O ATOM 308 CB ASN A 39 -10.360 -9.192 -7.435 1.00 0.00 C ATOM 309 CG ASN A 39 -9.353 -8.162 -7.963 1.00 0.00 C ATOM 310 OD1 ASN A 39 -9.502 -7.563 -9.005 1.00 0.00 O ATOM 311 ND2 ASN A 39 -8.238 -8.029 -7.282 1.00 0.00 N ATOM 0 H ASN A 39 -10.787 -6.889 -5.785 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.556 -9.693 -5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.926 -10.187 -7.532 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.248 -9.169 -8.067 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.497 -7.421 -7.631 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.113 -8.534 -6.404 1.00 0.00 H new ATOM 312 N MET A 40 -9.932 -9.034 -3.662 1.00 0.00 N ATOM 313 CA MET A 40 -9.023 -9.482 -2.603 1.00 0.00 C ATOM 314 C MET A 40 -9.579 -10.587 -1.712 1.00 0.00 C ATOM 315 O MET A 40 -10.711 -10.549 -1.232 1.00 0.00 O ATOM 316 CB MET A 40 -8.546 -8.321 -1.725 1.00 0.00 C ATOM 317 CG MET A 40 -9.684 -7.590 -1.019 1.00 0.00 C ATOM 318 SD MET A 40 -10.208 -8.244 0.605 1.00 0.00 S ATOM 319 CE MET A 40 -9.584 -6.910 1.606 1.00 0.00 C ATOM 0 H MET A 40 -10.721 -8.472 -3.343 1.00 0.00 H new ATOM 0 HA MET A 40 -8.180 -9.906 -3.148 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.850 -8.702 -0.978 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.995 -7.611 -2.342 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.387 -6.550 -0.886 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.550 -7.592 -1.681 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.005 -7.317 2.435 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.947 -6.267 0.999 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.418 -6.328 1.998 1.00 0.00 H new ATOM 320 N ILE A 41 -8.935 -11.698 -1.948 1.00 0.00 N ATOM 321 CA ILE A 41 -8.732 -12.688 -0.899 1.00 0.00 C ATOM 322 C ILE A 41 -7.241 -13.093 -0.882 1.00 0.00 C ATOM 323 O ILE A 41 -6.663 -13.467 -1.902 1.00 0.00 O ATOM 324 CB ILE A 41 -9.740 -13.822 -0.962 1.00 0.00 C ATOM 325 CG1 ILE A 41 -9.831 -14.395 0.470 1.00 0.00 C ATOM 326 CG2 ILE A 41 -9.469 -14.914 -2.014 1.00 0.00 C ATOM 327 CD1 ILE A 41 -11.014 -15.351 0.721 1.00 0.00 C ATOM 0 H ILE A 41 -8.538 -11.950 -2.853 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.943 -12.258 0.080 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.690 -13.417 -1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.904 -14.924 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.900 -13.565 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.254 -15.669 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.457 -14.467 -3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.504 -15.380 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.989 -15.698 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.951 -14.826 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.940 -16.206 0.049 1.00 0.00 H new ATOM 328 N TYR A 42 -6.627 -12.822 0.256 1.00 0.00 N ATOM 329 CA TYR A 42 -5.154 -12.779 0.398 1.00 0.00 C ATOM 330 C TYR A 42 -4.684 -12.958 1.847 1.00 0.00 C ATOM 331 O TYR A 42 -5.418 -12.714 2.814 1.00 0.00 O ATOM 332 CB TYR A 42 -4.582 -11.472 -0.182 1.00 0.00 C ATOM 333 CG TYR A 42 -5.188 -10.124 0.247 1.00 0.00 C ATOM 334 CD1 TYR A 42 -6.130 -10.012 1.295 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.728 -9.000 -0.453 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.604 -8.742 1.666 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.200 -7.730 -0.102 1.00 0.00 C ATOM 338 CZ TYR A 42 -6.124 -7.612 0.959 1.00 0.00 C ATOM 339 OH TYR A 42 -6.490 -6.371 1.389 1.00 0.00 O ATOM 0 H TYR A 42 -7.126 -12.622 1.123 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.772 -13.626 -0.171 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.520 -11.444 0.060 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.660 -11.535 -1.267 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.483 -10.895 1.807 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.015 -9.113 -1.257 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.316 -8.630 2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.862 -6.853 -0.635 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.874 -5.866 0.642 1.00 0.00 H new ATOM 340 N THR A 43 -3.596 -13.687 1.940 1.00 0.00 N ATOM 341 CA THR A 43 -2.706 -13.647 3.114 1.00 0.00 C ATOM 342 C THR A 43 -1.288 -13.665 2.529 1.00 0.00 C ATOM 343 O THR A 43 -0.985 -14.501 1.679 1.00 0.00 O ATOM 344 CB THR A 43 -2.945 -14.812 4.065 1.00 0.00 C ATOM 345 OG1 THR A 43 -4.326 -14.821 4.432 1.00 0.00 O ATOM 346 CG2 THR A 43 -2.076 -14.619 5.306 1.00 0.00 C ATOM 0 H THR A 43 -3.288 -14.331 1.211 1.00 0.00 H new ATOM 0 HA THR A 43 -2.886 -12.762 3.724 1.00 0.00 H new ATOM 0 HB THR A 43 -2.688 -15.758 3.589 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.773 -14.040 4.044 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.238 -15.447 5.996 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.026 -14.590 5.014 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.343 -13.682 5.795 1.00 0.00 H new ATOM 347 N CYS A 44 -0.467 -12.780 3.059 1.00 0.00 N ATOM 348 CA CYS A 44 0.753 -12.318 2.383 1.00 0.00 C ATOM 349 C CYS A 44 1.746 -13.347 1.836 1.00 0.00 C ATOM 350 O CYS A 44 2.647 -13.831 2.513 1.00 0.00 O ATOM 351 CB CYS A 44 1.495 -11.299 3.236 1.00 0.00 C ATOM 352 SG CYS A 44 2.773 -10.476 2.231 1.00 0.00 S ATOM 0 H CYS A 44 -0.618 -12.353 3.973 1.00 0.00 H new ATOM 0 HA CYS A 44 0.334 -11.884 1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.796 -10.561 3.629 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.954 -11.792 4.093 1.00 0.00 H new ATOM 0 HG CYS A 44 3.551 -11.372 1.699 1.00 0.00 H new ATOM 353 N HIS A 45 1.482 -13.634 0.570 1.00 0.00 N ATOM 354 CA HIS A 45 2.469 -14.126 -0.403 1.00 0.00 C ATOM 355 C HIS A 45 3.029 -12.956 -1.214 1.00 0.00 C ATOM 356 O HIS A 45 2.604 -12.607 -2.318 1.00 0.00 O ATOM 357 CB HIS A 45 1.723 -15.199 -1.266 1.00 0.00 C ATOM 358 CG HIS A 45 0.361 -14.721 -1.803 1.00 0.00 C ATOM 359 ND1 HIS A 45 0.167 -14.023 -2.920 1.00 0.00 N ATOM 360 CD2 HIS A 45 -0.826 -15.002 -1.286 1.00 0.00 C ATOM 361 CE1 HIS A 45 -1.140 -13.903 -3.109 1.00 0.00 C ATOM 362 NE2 HIS A 45 -1.752 -14.530 -2.115 1.00 0.00 N ATOM 0 H HIS A 45 0.549 -13.531 0.171 1.00 0.00 H new ATOM 0 HA HIS A 45 3.339 -14.587 0.064 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.357 -15.481 -2.107 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.573 -16.096 -0.665 1.00 0.00 H new ATOM 0 HD1 HIS A 45 0.897 -13.646 -3.525 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.009 -15.522 -0.357 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.620 -13.386 -3.927 1.00 0.00 H new ATOM 363 N ARG A 46 4.101 -12.392 -0.669 1.00 0.00 N ATOM 364 CA ARG A 46 5.321 -13.169 -0.353 1.00 0.00 C ATOM 365 C ARG A 46 5.457 -13.475 1.157 1.00 0.00 C ATOM 366 O ARG A 46 5.369 -14.635 1.559 1.00 0.00 O ATOM 367 CB ARG A 46 6.583 -12.471 -0.877 1.00 0.00 C ATOM 368 CG ARG A 46 6.409 -11.923 -2.302 1.00 0.00 C ATOM 369 CD ARG A 46 7.715 -11.476 -2.950 1.00 0.00 C ATOM 370 NE ARG A 46 7.385 -10.770 -4.200 1.00 0.00 N ATOM 371 CZ ARG A 46 8.210 -10.403 -5.182 1.00 0.00 C ATOM 372 NH1 ARG A 46 9.512 -10.665 -5.163 1.00 0.00 N ATOM 373 NH2 ARG A 46 7.727 -9.681 -6.184 1.00 0.00 N ATOM 0 H ARG A 46 4.162 -11.402 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 46 5.216 -14.124 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.845 -11.652 -0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.415 -13.175 -0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.949 -12.691 -2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.719 -11.079 -2.276 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.269 -10.821 -2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.353 -12.336 -3.155 1.00 0.00 H new ATOM 0 HE ARG A 46 6.402 -10.532 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.920 -11.167 -4.374 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.104 -10.364 -5.937 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.742 -9.417 -6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.341 -9.390 -6.945 1.00 0.00 H new ATOM 374 N ASP A 47 5.924 -12.489 1.906 1.00 0.00 N ATOM 375 CA ASP A 47 5.835 -12.445 3.373 1.00 0.00 C ATOM 376 C ASP A 47 5.301 -11.056 3.788 1.00 0.00 C ATOM 377 O ASP A 47 5.529 -10.072 3.099 1.00 0.00 O ATOM 378 CB ASP A 47 7.146 -12.807 4.086 1.00 0.00 C ATOM 379 CG ASP A 47 8.366 -11.926 3.778 1.00 0.00 C ATOM 380 OD1 ASP A 47 8.167 -10.708 3.592 1.00 0.00 O ATOM 381 OD2 ASP A 47 9.486 -12.483 3.773 1.00 0.00 O ATOM 0 H ASP A 47 6.389 -11.672 1.509 1.00 0.00 H new ATOM 0 HA ASP A 47 5.140 -13.220 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.968 -12.777 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.398 -13.837 3.833 1.00 0.00 H new ATOM 382 N LYS A 48 4.905 -10.943 5.047 1.00 0.00 N ATOM 383 CA LYS A 48 4.221 -9.750 5.569 1.00 0.00 C ATOM 384 C LYS A 48 5.172 -8.610 6.019 1.00 0.00 C ATOM 385 O LYS A 48 4.733 -7.537 6.424 1.00 0.00 O ATOM 386 CB LYS A 48 3.262 -10.140 6.721 1.00 0.00 C ATOM 387 CG LYS A 48 3.832 -11.181 7.693 1.00 0.00 C ATOM 388 CD LYS A 48 4.924 -10.620 8.611 1.00 0.00 C ATOM 389 CE LYS A 48 5.851 -11.738 9.123 1.00 0.00 C ATOM 390 NZ LYS A 48 6.623 -12.319 8.022 1.00 0.00 N ATOM 0 H LYS A 48 5.045 -11.674 5.745 1.00 0.00 H new ATOM 0 HA LYS A 48 3.654 -9.345 4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.002 -9.242 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.338 -10.528 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.022 -11.579 8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.240 -12.015 7.123 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.510 -9.877 8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.464 -10.109 9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.529 -11.338 9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.259 -12.514 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.358 -12.947 8.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.989 -12.865 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.071 -11.558 7.472 1.00 0.00 H new ATOM 391 N ASN A 49 6.441 -8.800 5.683 1.00 0.00 N ATOM 392 CA ASN A 49 7.532 -7.818 5.794 1.00 0.00 C ATOM 393 C ASN A 49 8.210 -7.580 4.418 1.00 0.00 C ATOM 394 O ASN A 49 9.358 -7.160 4.358 1.00 0.00 O ATOM 395 CB ASN A 49 8.545 -8.361 6.823 1.00 0.00 C ATOM 396 CG ASN A 49 9.158 -9.706 6.425 1.00 0.00 C ATOM 397 OD1 ASN A 49 8.571 -10.770 6.590 1.00 0.00 O ATOM 398 ND2 ASN A 49 10.258 -9.667 5.701 1.00 0.00 N ATOM 0 H ASN A 49 6.763 -9.690 5.304 1.00 0.00 H new ATOM 0 HA ASN A 49 7.140 -6.855 6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.344 -7.631 6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.049 -8.468 7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.621 -10.521 5.278 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.747 -8.782 5.563 1.00 0.00 H new ATOM 399 N CYS A 50 7.381 -7.651 3.370 1.00 0.00 N ATOM 400 CA CYS A 50 7.749 -7.902 1.949 1.00 0.00 C ATOM 401 C CYS A 50 9.003 -7.086 1.594 1.00 0.00 C ATOM 402 O CYS A 50 10.067 -7.675 1.724 1.00 0.00 O ATOM 403 CB CYS A 50 6.430 -7.775 1.156 1.00 0.00 C ATOM 404 SG CYS A 50 6.199 -8.902 -0.262 1.00 0.00 S ATOM 0 H CYS A 50 6.375 -7.529 3.485 1.00 0.00 H new ATOM 0 HA CYS A 50 8.112 -8.895 1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.603 -7.929 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.353 -6.751 0.790 1.00 0.00 H new ATOM 0 HG CYS A 50 5.639 -8.257 -1.242 1.00 0.00 H new ATOM 405 N VAL A 51 8.908 -6.013 0.825 1.00 0.00 N ATOM 406 CA VAL A 51 9.639 -4.764 1.144 1.00 0.00 C ATOM 407 C VAL A 51 8.773 -3.498 1.118 1.00 0.00 C ATOM 408 O VAL A 51 8.459 -2.889 2.140 1.00 0.00 O ATOM 409 CB VAL A 51 10.985 -4.560 0.390 1.00 0.00 C ATOM 410 CG1 VAL A 51 11.736 -3.340 0.932 1.00 0.00 C ATOM 411 CG2 VAL A 51 11.983 -5.687 0.598 1.00 0.00 C ATOM 0 H VAL A 51 8.341 -5.966 -0.021 1.00 0.00 H new ATOM 0 HA VAL A 51 9.919 -4.929 2.184 1.00 0.00 H new ATOM 0 HB VAL A 51 10.683 -4.478 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.673 -3.219 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.123 -2.448 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.947 -3.484 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.895 -5.473 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.217 -5.774 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.553 -6.624 0.243 1.00 0.00 H new ATOM 412 N ILE A 52 8.682 -3.044 -0.108 1.00 0.00 N ATOM 413 CA ILE A 52 8.232 -1.742 -0.579 1.00 0.00 C ATOM 414 C ILE A 52 8.456 -0.500 0.286 1.00 0.00 C ATOM 415 O ILE A 52 7.575 0.105 0.875 1.00 0.00 O ATOM 416 CB ILE A 52 7.085 -1.675 -1.577 1.00 0.00 C ATOM 417 CG1 ILE A 52 5.994 -2.720 -1.357 1.00 0.00 C ATOM 418 CG2 ILE A 52 7.688 -1.701 -2.988 1.00 0.00 C ATOM 419 CD1 ILE A 52 6.393 -4.145 -1.663 1.00 0.00 C ATOM 0 H ILE A 52 8.950 -3.639 -0.892 1.00 0.00 H new ATOM 0 HA ILE A 52 9.086 -1.632 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 52 6.544 -0.741 -1.427 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.667 -2.667 -0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.135 -2.460 -1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.888 -1.654 -3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.351 -0.845 -3.116 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.254 -2.622 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.548 -4.808 -1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.689 -4.223 -2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.230 -4.433 -1.027 1.00 0.00 H new ATOM 420 N ASN A 53 9.756 -0.212 0.240 1.00 0.00 N ATOM 421 CA ASN A 53 10.333 1.123 0.474 1.00 0.00 C ATOM 422 C ASN A 53 10.971 1.591 -0.857 1.00 0.00 C ATOM 423 O ASN A 53 10.254 1.554 -1.865 1.00 0.00 O ATOM 424 CB ASN A 53 11.258 1.103 1.692 1.00 0.00 C ATOM 425 CG ASN A 53 12.411 0.086 1.672 1.00 0.00 C ATOM 426 OD1 ASN A 53 12.859 -0.301 0.500 1.00 0.00 O flip ATOM 427 ND2 ASN A 53 12.960 -0.302 2.688 1.00 0.00 N flip ATOM 0 H ASN A 53 10.463 -0.918 0.033 1.00 0.00 H new ATOM 0 HA ASN A 53 9.581 1.865 0.741 1.00 0.00 H new ATOM 0 HB2 ASN A 53 11.686 2.099 1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.651 0.910 2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.615 -0.003 3.600 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.765 -0.925 2.626 1.00 0.00 H new ATOM 428 N LYS A 54 12.256 1.968 -0.915 1.00 0.00 N ATOM 429 CA LYS A 54 12.945 2.148 -2.209 1.00 0.00 C ATOM 430 C LYS A 54 14.159 1.273 -2.576 1.00 0.00 C ATOM 431 O LYS A 54 14.369 0.984 -3.750 1.00 0.00 O ATOM 432 CB LYS A 54 13.261 3.639 -2.522 1.00 0.00 C ATOM 433 CG LYS A 54 13.732 4.485 -1.331 1.00 0.00 C ATOM 434 CD LYS A 54 15.058 4.031 -0.706 1.00 0.00 C ATOM 435 CE LYS A 54 14.907 3.849 0.797 1.00 0.00 C ATOM 436 NZ LYS A 54 14.182 2.602 1.112 1.00 0.00 N ATOM 0 H LYS A 54 12.836 2.153 -0.096 1.00 0.00 H new ATOM 0 HA LYS A 54 12.166 1.749 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.029 3.674 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.367 4.101 -2.940 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.835 5.520 -1.656 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.959 4.468 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.379 3.094 -1.161 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.835 4.768 -0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.891 3.829 1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.372 4.700 1.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.078 2.512 2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.241 2.627 0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.715 1.788 0.745 1.00 0.00 H new ATOM 437 N VAL A 55 14.683 0.554 -1.580 1.00 0.00 N ATOM 438 CA VAL A 55 15.717 -0.504 -1.781 1.00 0.00 C ATOM 439 C VAL A 55 14.953 -1.829 -1.580 1.00 0.00 C ATOM 440 O VAL A 55 14.697 -2.284 -0.466 1.00 0.00 O ATOM 441 CB VAL A 55 16.770 -0.387 -0.693 1.00 0.00 C ATOM 442 CG1 VAL A 55 17.861 -1.428 -0.889 1.00 0.00 C ATOM 443 CG2 VAL A 55 17.477 0.981 -0.629 1.00 0.00 C ATOM 0 H VAL A 55 14.412 0.678 -0.604 1.00 0.00 H new ATOM 0 HA VAL A 55 16.206 -0.432 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 55 16.214 -0.532 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.606 -1.328 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.423 -2.426 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.337 -1.278 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 55 18.212 0.974 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 55 17.979 1.176 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.741 1.763 -0.441 1.00 0.00 H new ATOM 444 N THR A 56 14.192 -1.984 -2.642 1.00 0.00 N ATOM 445 CA THR A 56 12.894 -2.667 -2.593 1.00 0.00 C ATOM 446 C THR A 56 12.507 -3.844 -3.504 1.00 0.00 C ATOM 447 O THR A 56 13.083 -4.095 -4.555 1.00 0.00 O ATOM 448 CB THR A 56 11.903 -1.492 -2.690 1.00 0.00 C ATOM 449 OG1 THR A 56 10.727 -1.857 -2.011 1.00 0.00 O ATOM 450 CG2 THR A 56 11.563 -0.992 -4.090 1.00 0.00 C ATOM 0 H THR A 56 14.446 -1.644 -3.570 1.00 0.00 H new ATOM 0 HA THR A 56 12.908 -3.275 -1.688 1.00 0.00 H new ATOM 0 HB THR A 56 12.412 -0.642 -2.235 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.953 -2.438 -1.255 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.857 -0.165 -4.019 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.472 -0.652 -4.586 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.117 -1.802 -4.667 1.00 0.00 H new ATOM 451 N ARG A 57 11.330 -4.334 -3.104 1.00 0.00 N ATOM 452 CA ARG A 57 10.309 -5.169 -3.783 1.00 0.00 C ATOM 453 C ARG A 57 10.837 -6.455 -4.480 1.00 0.00 C ATOM 454 O ARG A 57 11.553 -6.391 -5.460 1.00 0.00 O ATOM 455 CB ARG A 57 9.359 -4.307 -4.587 1.00 0.00 C ATOM 456 CG ARG A 57 9.971 -3.700 -5.862 1.00 0.00 C ATOM 457 CD ARG A 57 8.904 -3.202 -6.845 1.00 0.00 C ATOM 458 NE ARG A 57 8.318 -1.931 -6.394 1.00 0.00 N ATOM 459 CZ ARG A 57 7.271 -1.309 -6.944 1.00 0.00 C ATOM 460 NH1 ARG A 57 6.623 -1.816 -7.983 1.00 0.00 N ATOM 461 NH2 ARG A 57 6.918 -0.106 -6.532 1.00 0.00 N ATOM 0 H ARG A 57 11.017 -4.127 -2.155 1.00 0.00 H new ATOM 0 HA ARG A 57 9.707 -5.628 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.492 -4.906 -4.865 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.997 -3.498 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.624 -2.871 -5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.593 -4.447 -6.354 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.348 -3.071 -7.832 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.119 -3.952 -6.945 1.00 0.00 H new ATOM 0 HE ARG A 57 8.751 -1.483 -5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.920 -2.705 -8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.827 -1.317 -8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.445 0.354 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.118 0.364 -6.956 1.00 0.00 H new ATOM 462 N ASN A 58 10.467 -7.665 -4.033 1.00 0.00 N ATOM 463 CA ASN A 58 9.615 -8.066 -2.882 1.00 0.00 C ATOM 464 C ASN A 58 8.227 -7.417 -2.751 1.00 0.00 C ATOM 465 O ASN A 58 7.942 -6.708 -1.787 1.00 0.00 O ATOM 466 CB ASN A 58 10.371 -7.894 -1.580 1.00 0.00 C ATOM 467 CG ASN A 58 11.510 -8.906 -1.341 1.00 0.00 C ATOM 468 OD1 ASN A 58 12.106 -9.480 -2.247 1.00 0.00 O ATOM 469 ND2 ASN A 58 11.791 -9.167 -0.088 1.00 0.00 N ATOM 0 H ASN A 58 10.795 -8.495 -4.526 1.00 0.00 H new ATOM 0 HA ASN A 58 9.395 -9.111 -3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.789 -6.888 -1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.662 -7.968 -0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.511 -9.853 0.141 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.290 -8.685 0.658 1.00 0.00 H new ATOM 470 N ARG A 59 7.411 -7.608 -3.777 1.00 0.00 N ATOM 471 CA ARG A 59 6.103 -6.985 -3.869 1.00 0.00 C ATOM 472 C ARG A 59 4.995 -8.055 -3.951 1.00 0.00 C ATOM 473 O ARG A 59 5.093 -9.061 -4.638 1.00 0.00 O ATOM 474 CB ARG A 59 6.073 -6.042 -5.052 1.00 0.00 C ATOM 475 CG ARG A 59 4.714 -5.565 -5.620 1.00 0.00 C ATOM 476 CD ARG A 59 3.981 -4.562 -4.729 1.00 0.00 C ATOM 477 NE ARG A 59 4.548 -3.212 -4.908 1.00 0.00 N ATOM 478 CZ ARG A 59 4.022 -2.069 -4.461 1.00 0.00 C ATOM 479 NH1 ARG A 59 2.905 -2.010 -3.748 1.00 0.00 N ATOM 480 NH2 ARG A 59 4.566 -0.931 -4.851 1.00 0.00 N ATOM 0 H ARG A 59 7.641 -8.203 -4.573 1.00 0.00 H new ATOM 0 HA ARG A 59 5.913 -6.402 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.639 -5.153 -4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.615 -6.524 -5.866 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.880 -5.112 -6.598 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.073 -6.433 -5.775 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.919 -4.554 -4.975 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.064 -4.864 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 59 5.426 -3.145 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 59 2.403 -2.867 -3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.549 -1.108 -3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.369 -0.939 -5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.183 -0.044 -4.524 1.00 0.00 H new ATOM 481 N CYS A 60 3.931 -7.710 -3.266 1.00 0.00 N ATOM 482 CA CYS A 60 2.721 -8.528 -3.048 1.00 0.00 C ATOM 483 C CYS A 60 1.559 -7.558 -2.768 1.00 0.00 C ATOM 484 O CYS A 60 1.782 -6.378 -2.515 1.00 0.00 O ATOM 485 CB CYS A 60 3.000 -9.343 -1.803 1.00 0.00 C ATOM 486 SG CYS A 60 1.610 -10.109 -0.909 1.00 0.00 S ATOM 0 H CYS A 60 3.864 -6.799 -2.811 1.00 0.00 H new ATOM 0 HA CYS A 60 2.475 -9.167 -3.896 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.690 -10.140 -2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.526 -8.697 -1.100 1.00 0.00 H new ATOM 0 HG CYS A 60 1.931 -10.264 0.341 1.00 0.00 H new ATOM 487 N GLN A 61 0.333 -8.095 -2.724 1.00 0.00 N ATOM 488 CA GLN A 61 -0.805 -7.289 -2.270 1.00 0.00 C ATOM 489 C GLN A 61 -0.929 -7.036 -0.776 1.00 0.00 C ATOM 490 O GLN A 61 -0.450 -6.003 -0.308 1.00 0.00 O ATOM 491 CB GLN A 61 -2.183 -7.662 -2.843 1.00 0.00 C ATOM 492 CG GLN A 61 -2.284 -8.930 -3.707 1.00 0.00 C ATOM 493 CD GLN A 61 -2.297 -10.221 -2.886 1.00 0.00 C ATOM 494 OE1 GLN A 61 -1.659 -10.385 -1.854 1.00 0.00 O ATOM 495 NE2 GLN A 61 -3.059 -11.181 -3.360 1.00 0.00 N ATOM 0 H GLN A 61 0.108 -9.054 -2.988 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.501 -6.345 -2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.874 -7.771 -2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.535 -6.821 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.192 -8.881 -4.308 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.444 -8.957 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.587 -11.035 -4.220 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.123 -12.072 -2.867 1.00 0.00 H new ATOM 496 N TYR A 62 -1.314 -8.073 -0.031 1.00 0.00 N ATOM 497 CA TYR A 62 -1.669 -7.933 1.392 1.00 0.00 C ATOM 498 C TYR A 62 -0.671 -7.182 2.260 1.00 0.00 C ATOM 499 O TYR A 62 -1.021 -6.130 2.804 1.00 0.00 O ATOM 500 CB TYR A 62 -1.938 -9.371 1.930 1.00 0.00 C ATOM 501 CG TYR A 62 -2.366 -9.490 3.398 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.405 -9.402 4.428 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.691 -9.871 3.673 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.770 -9.726 5.753 1.00 0.00 C ATOM 505 CE2 TYR A 62 -4.075 -10.201 4.986 1.00 0.00 C ATOM 506 CZ TYR A 62 -3.097 -10.130 6.007 1.00 0.00 C ATOM 507 OH TYR A 62 -3.415 -10.589 7.247 1.00 0.00 O ATOM 0 H TYR A 62 -1.390 -9.026 -0.387 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.551 -7.295 1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.712 -9.826 1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.032 -9.961 1.791 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.396 -9.089 4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.417 -9.911 2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.049 -9.666 6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.088 -10.500 5.209 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.365 -10.829 7.273 1.00 0.00 H new ATOM 508 N CYS A 63 0.595 -7.454 2.004 1.00 0.00 N ATOM 509 CA CYS A 63 1.713 -6.818 2.733 1.00 0.00 C ATOM 510 C CYS A 63 1.663 -5.288 2.769 1.00 0.00 C ATOM 511 O CYS A 63 1.616 -4.713 3.855 1.00 0.00 O ATOM 512 CB CYS A 63 3.011 -7.241 2.030 1.00 0.00 C ATOM 513 SG CYS A 63 3.084 -6.820 0.256 1.00 0.00 S ATOM 0 H CYS A 63 0.893 -8.118 1.289 1.00 0.00 H new ATOM 0 HA CYS A 63 1.650 -7.146 3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.854 -6.771 2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.134 -8.318 2.140 1.00 0.00 H new ATOM 0 HG CYS A 63 4.320 -6.611 -0.090 1.00 0.00 H new ATOM 514 N ARG A 64 1.605 -4.677 1.595 1.00 0.00 N ATOM 515 CA ARG A 64 1.571 -3.220 1.461 1.00 0.00 C ATOM 516 C ARG A 64 0.274 -2.663 0.869 1.00 0.00 C ATOM 517 O ARG A 64 0.147 -1.453 0.719 1.00 0.00 O ATOM 518 CB ARG A 64 2.834 -2.684 0.758 1.00 0.00 C ATOM 519 CG ARG A 64 4.055 -2.627 1.691 1.00 0.00 C ATOM 520 CD ARG A 64 4.726 -3.987 1.871 1.00 0.00 C ATOM 521 NE ARG A 64 5.889 -3.938 2.769 1.00 0.00 N ATOM 522 CZ ARG A 64 6.024 -4.590 3.920 1.00 0.00 C ATOM 523 NH1 ARG A 64 5.041 -5.289 4.479 1.00 0.00 N ATOM 524 NH2 ARG A 64 7.205 -4.555 4.538 1.00 0.00 N ATOM 0 H ARG A 64 1.580 -5.174 0.705 1.00 0.00 H new ATOM 0 HA ARG A 64 1.578 -2.835 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.065 -3.319 -0.098 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.632 -1.686 0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.780 -1.919 1.290 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.745 -2.248 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.998 -4.696 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.041 -4.363 0.897 1.00 0.00 H new ATOM 0 HE ARG A 64 6.668 -3.346 2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.130 -5.343 4.023 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.197 -5.771 5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.981 -4.036 4.127 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.333 -5.047 5.422 1.00 0.00 H new ATOM 525 N LEU A 65 -0.757 -3.511 0.822 1.00 0.00 N ATOM 526 CA LEU A 65 -2.118 -3.036 1.118 1.00 0.00 C ATOM 527 C LEU A 65 -2.101 -2.576 2.572 1.00 0.00 C ATOM 528 O LEU A 65 -2.027 -1.378 2.802 1.00 0.00 O ATOM 529 CB LEU A 65 -3.163 -4.150 1.051 1.00 0.00 C ATOM 530 CG LEU A 65 -4.227 -4.197 -0.028 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.704 -2.818 -0.462 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.790 -4.903 -1.299 1.00 0.00 C ATOM 0 H LEU A 65 -0.685 -4.502 0.590 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.377 -2.266 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.615 -5.090 0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.687 -4.146 2.007 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.027 -4.755 0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.464 -2.923 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.128 -2.293 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.862 -2.249 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.607 -4.893 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.927 -4.389 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.522 -5.934 -1.069 1.00 0.00 H new ATOM 533 N GLN A 66 -1.648 -3.499 3.412 1.00 0.00 N ATOM 534 CA GLN A 66 -1.734 -3.434 4.880 1.00 0.00 C ATOM 535 C GLN A 66 -0.694 -2.562 5.580 1.00 0.00 C ATOM 536 O GLN A 66 -1.014 -1.883 6.561 1.00 0.00 O ATOM 537 CB GLN A 66 -1.941 -4.843 5.443 1.00 0.00 C ATOM 538 CG GLN A 66 -3.451 -5.152 5.450 1.00 0.00 C ATOM 539 CD GLN A 66 -4.005 -5.714 4.129 1.00 0.00 C ATOM 540 OE1 GLN A 66 -3.685 -6.802 3.693 1.00 0.00 O ATOM 541 NE2 GLN A 66 -4.950 -5.032 3.517 1.00 0.00 N ATOM 0 H GLN A 66 -1.191 -4.350 3.084 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.623 -2.856 5.132 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.408 -5.575 4.836 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.536 -4.910 6.453 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.657 -5.867 6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.993 -4.238 5.694 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.230 -4.117 3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.403 -5.418 2.689 1.00 0.00 H new ATOM 542 N LYS A 67 0.512 -2.475 5.026 1.00 0.00 N ATOM 543 CA LYS A 67 1.494 -1.472 5.469 1.00 0.00 C ATOM 544 C LYS A 67 1.275 -0.052 4.938 1.00 0.00 C ATOM 545 O LYS A 67 1.426 0.904 5.698 1.00 0.00 O ATOM 546 CB LYS A 67 2.911 -2.012 5.229 1.00 0.00 C ATOM 547 CG LYS A 67 3.989 -1.201 5.943 1.00 0.00 C ATOM 548 CD LYS A 67 5.236 -2.081 6.051 1.00 0.00 C ATOM 549 CE LYS A 67 6.436 -1.373 6.676 1.00 0.00 C ATOM 550 NZ LYS A 67 7.512 -2.359 6.710 1.00 0.00 N ATOM 0 H LYS A 67 0.838 -3.081 4.273 1.00 0.00 H new ATOM 0 HA LYS A 67 1.344 -1.331 6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.961 -3.047 5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.116 -2.015 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.211 -0.289 5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.647 -0.898 6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.997 -2.963 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.510 -2.431 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.724 -0.501 6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.200 -1.018 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.242 -2.053 7.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.130 -3.279 7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.931 -2.448 5.762 1.00 0.00 H new ATOM 551 N CYS A 68 0.788 0.086 3.698 1.00 0.00 N ATOM 552 CA CYS A 68 0.258 1.397 3.260 1.00 0.00 C ATOM 553 C CYS A 68 -1.016 1.788 4.046 1.00 0.00 C ATOM 554 O CYS A 68 -1.120 2.910 4.521 1.00 0.00 O ATOM 555 CB CYS A 68 0.048 1.462 1.745 1.00 0.00 C ATOM 556 SG CYS A 68 1.607 1.358 0.791 1.00 0.00 S ATOM 0 H CYS A 68 0.747 -0.657 3.000 1.00 0.00 H new ATOM 0 HA CYS A 68 1.018 2.142 3.494 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.610 0.648 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -0.461 2.393 1.496 1.00 0.00 H new ATOM 0 HG CYS A 68 1.588 2.234 -0.169 1.00 0.00 H new ATOM 557 N PHE A 69 -1.842 0.782 4.340 1.00 0.00 N ATOM 558 CA PHE A 69 -2.945 0.814 5.335 1.00 0.00 C ATOM 559 C PHE A 69 -2.634 1.245 6.766 1.00 0.00 C ATOM 560 O PHE A 69 -3.547 1.636 7.494 1.00 0.00 O ATOM 561 CB PHE A 69 -3.677 -0.525 5.449 1.00 0.00 C ATOM 562 CG PHE A 69 -4.871 -0.668 4.519 1.00 0.00 C ATOM 563 CD1 PHE A 69 -5.910 0.273 4.690 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.034 -1.808 3.679 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.109 0.115 3.981 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.239 -1.988 2.989 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.218 -0.989 3.115 1.00 0.00 C ATOM 0 H PHE A 69 -1.767 -0.124 3.877 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.549 1.607 4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.972 -1.330 5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.015 -0.654 6.477 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.782 1.108 5.362 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.235 -2.527 3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.922 0.817 4.096 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.410 -2.864 2.381 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.109 -1.073 2.510 1.00 0.00 H new ATOM 568 N GLU A 70 -1.392 1.062 7.200 1.00 0.00 N ATOM 569 CA GLU A 70 -0.918 1.661 8.464 1.00 0.00 C ATOM 570 C GLU A 70 -1.124 3.178 8.535 1.00 0.00 C ATOM 571 O GLU A 70 -1.265 3.756 9.613 1.00 0.00 O ATOM 572 CB GLU A 70 0.543 1.306 8.658 1.00 0.00 C ATOM 573 CG GLU A 70 0.603 -0.176 9.055 1.00 0.00 C ATOM 574 CD GLU A 70 2.000 -0.636 9.495 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.493 -0.092 10.500 1.00 0.00 O ATOM 576 OE2 GLU A 70 2.504 -1.573 8.844 1.00 0.00 O ATOM 0 H GLU A 70 -0.691 0.509 6.706 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.521 1.246 9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.106 1.482 7.741 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.991 1.930 9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.102 -0.355 9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.278 -0.784 8.210 1.00 0.00 H new ATOM 577 N VAL A 71 -1.249 3.769 7.356 1.00 0.00 N ATOM 578 CA VAL A 71 -1.640 5.181 7.150 1.00 0.00 C ATOM 579 C VAL A 71 -2.973 5.147 6.348 1.00 0.00 C ATOM 580 O VAL A 71 -2.967 5.411 5.151 1.00 0.00 O ATOM 581 CB VAL A 71 -0.473 5.898 6.457 1.00 0.00 C ATOM 582 CG1 VAL A 71 -0.760 7.394 6.321 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.849 5.770 7.210 1.00 0.00 C ATOM 0 H VAL A 71 -1.079 3.275 6.480 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.826 5.744 8.065 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.380 5.413 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.080 7.882 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.663 7.539 5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.902 7.829 7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.631 6.299 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.744 6.202 8.205 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.117 4.717 7.298 1.00 0.00 H new ATOM 584 N GLY A 72 -3.915 4.409 6.940 1.00 0.00 N ATOM 585 CA GLY A 72 -5.332 4.155 6.523 1.00 0.00 C ATOM 586 C GLY A 72 -5.870 5.055 5.435 1.00 0.00 C ATOM 587 O GLY A 72 -6.578 6.042 5.615 1.00 0.00 O ATOM 0 H GLY A 72 -3.703 3.919 7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.412 3.122 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.972 4.254 7.400 1.00 0.00 H new ATOM 588 N MET A 73 -5.496 4.564 4.277 1.00 0.00 N ATOM 589 CA MET A 73 -5.833 5.099 2.958 1.00 0.00 C ATOM 590 C MET A 73 -7.246 4.579 2.683 1.00 0.00 C ATOM 591 O MET A 73 -7.555 3.423 2.974 1.00 0.00 O ATOM 592 CB MET A 73 -4.941 4.419 1.908 1.00 0.00 C ATOM 593 CG MET A 73 -3.678 3.691 2.388 1.00 0.00 C ATOM 594 SD MET A 73 -2.084 4.093 1.595 1.00 0.00 S ATOM 595 CE MET A 73 -2.369 3.692 -0.115 1.00 0.00 C ATOM 0 H MET A 73 -4.913 3.730 4.216 1.00 0.00 H new ATOM 0 HA MET A 73 -5.727 6.183 2.921 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.555 3.699 1.367 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.634 5.179 1.190 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.573 3.879 3.456 1.00 0.00 H new ATOM 0 HG3 MET A 73 -3.847 2.621 2.268 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.556 4.090 -0.722 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.413 2.609 -0.232 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.313 4.131 -0.439 1.00 0.00 H new ATOM 596 N SER A 74 -8.025 5.369 1.965 1.00 0.00 N ATOM 597 CA SER A 74 -9.391 4.905 1.695 1.00 0.00 C ATOM 598 C SER A 74 -9.760 4.488 0.279 1.00 0.00 C ATOM 599 O SER A 74 -10.673 4.969 -0.379 1.00 0.00 O ATOM 600 CB SER A 74 -10.451 5.864 2.286 1.00 0.00 C ATOM 601 OG SER A 74 -10.071 6.311 3.592 1.00 0.00 O ATOM 0 H SER A 74 -7.768 6.277 1.577 1.00 0.00 H new ATOM 0 HA SER A 74 -9.395 3.950 2.221 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.577 6.723 1.627 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.415 5.358 2.338 1.00 0.00 H new ATOM 0 HG SER A 74 -9.886 5.536 4.162 1.00 0.00 H new ATOM 602 N LYS A 75 -9.023 3.452 -0.080 1.00 0.00 N ATOM 603 CA LYS A 75 -9.681 2.173 -0.411 1.00 0.00 C ATOM 604 C LYS A 75 -9.517 1.324 0.834 1.00 0.00 C ATOM 605 O LYS A 75 -8.514 0.668 1.059 1.00 0.00 O ATOM 606 CB LYS A 75 -9.200 1.541 -1.709 1.00 0.00 C ATOM 607 CG LYS A 75 -9.269 2.514 -2.907 1.00 0.00 C ATOM 608 CD LYS A 75 -10.607 3.216 -3.173 1.00 0.00 C ATOM 609 CE LYS A 75 -11.700 2.302 -3.717 1.00 0.00 C ATOM 610 NZ LYS A 75 -12.521 3.029 -4.699 1.00 0.00 N ATOM 0 H LYS A 75 -8.006 3.453 -0.152 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.737 2.305 -0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.173 1.199 -1.583 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.805 0.661 -1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.509 3.282 -2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.995 1.961 -3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.957 3.668 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.443 4.028 -3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.253 1.424 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.327 1.945 -2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.931 2.354 -5.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.286 3.533 -4.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.927 3.714 -5.209 1.00 0.00 H new ATOM 611 N GLU A 76 -10.581 1.297 1.602 1.00 0.00 N ATOM 612 CA GLU A 76 -10.486 1.144 3.057 1.00 0.00 C ATOM 613 C GLU A 76 -10.995 -0.277 3.413 1.00 0.00 C ATOM 614 O GLU A 76 -10.349 -1.256 3.076 1.00 0.00 O ATOM 615 CB GLU A 76 -11.326 2.291 3.606 1.00 0.00 C ATOM 616 CG GLU A 76 -11.079 2.570 5.093 1.00 0.00 C ATOM 617 CD GLU A 76 -9.636 3.016 5.390 1.00 0.00 C ATOM 618 OE1 GLU A 76 -9.345 4.198 5.107 1.00 0.00 O ATOM 619 OE2 GLU A 76 -8.873 2.163 5.907 1.00 0.00 O ATOM 0 H GLU A 76 -11.535 1.379 1.251 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.485 1.207 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.112 3.194 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.381 2.062 3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.769 3.343 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.301 1.671 5.667 1.00 0.00 H new ATOM 620 N SER A 77 -12.252 -0.363 3.832 1.00 0.00 N ATOM 621 CA SER A 77 -13.035 -1.609 3.730 1.00 0.00 C ATOM 622 C SER A 77 -14.015 -1.320 2.595 1.00 0.00 C ATOM 623 O SER A 77 -15.105 -0.760 2.734 1.00 0.00 O ATOM 624 CB SER A 77 -13.737 -1.896 5.064 1.00 0.00 C ATOM 625 OG SER A 77 -14.537 -0.764 5.446 1.00 0.00 O ATOM 0 H SER A 77 -12.762 0.416 4.250 1.00 0.00 H new ATOM 0 HA SER A 77 -12.438 -2.498 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.365 -2.782 4.972 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.998 -2.108 5.836 1.00 0.00 H new ATOM 0 HG SER A 77 -15.022 -0.427 4.664 1.00 0.00 H new ATOM 626 N VAL A 78 -13.423 -1.487 1.425 1.00 0.00 N ATOM 627 CA VAL A 78 -13.927 -0.968 0.161 1.00 0.00 C ATOM 628 C VAL A 78 -14.443 -2.049 -0.782 1.00 0.00 C ATOM 629 O VAL A 78 -13.843 -3.108 -0.931 1.00 0.00 O ATOM 630 CB VAL A 78 -12.875 -0.009 -0.393 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.122 -0.372 -1.658 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.203 1.474 -0.262 1.00 0.00 C ATOM 0 H VAL A 78 -12.550 -2.004 1.323 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.841 -0.393 0.310 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.097 -0.211 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.417 0.423 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.578 -1.304 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.828 -0.496 -2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.391 2.065 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.128 1.691 -0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.325 1.728 0.791 1.00 0.00 H new ATOM 633 N ARG A 79 -15.691 -1.856 -1.177 1.00 0.00 N ATOM 634 CA ARG A 79 -16.576 -0.736 -0.742 1.00 0.00 C ATOM 635 C ARG A 79 -17.715 -1.283 0.133 1.00 0.00 C ATOM 636 O ARG A 79 -18.891 -1.307 -0.223 1.00 0.00 O ATOM 637 CB ARG A 79 -17.114 -0.007 -1.970 1.00 0.00 C ATOM 638 CG ARG A 79 -16.032 0.681 -2.791 1.00 0.00 C ATOM 639 CD ARG A 79 -16.727 1.450 -3.923 1.00 0.00 C ATOM 640 NE ARG A 79 -15.778 2.203 -4.756 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.712 3.532 -4.890 1.00 0.00 C ATOM 642 NH1 ARG A 79 -16.505 4.343 -4.213 1.00 0.00 N ATOM 643 NH2 ARG A 79 -15.014 4.049 -5.884 1.00 0.00 N ATOM 0 H ARG A 79 -16.152 -2.486 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.008 -0.023 -0.144 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -17.641 -0.720 -2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.844 0.736 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.451 1.360 -2.167 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.335 -0.052 -3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.279 0.749 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.457 2.138 -3.496 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.100 1.655 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.193 3.960 -3.565 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -16.429 5.352 -4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.531 3.436 -6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.957 5.061 -5.995 1.00 0.00 H new ATOM 644 N ASN A 80 -17.280 -1.815 1.271 1.00 0.00 N ATOM 645 CA ASN A 80 -18.072 -2.741 2.099 1.00 0.00 C ATOM 646 C ASN A 80 -18.113 -2.452 3.610 1.00 0.00 C ATOM 647 O ASN A 80 -17.351 -1.556 4.054 1.00 0.00 O ATOM 648 CB ASN A 80 -17.550 -4.143 1.744 1.00 0.00 C ATOM 649 CG ASN A 80 -16.077 -4.366 2.059 1.00 0.00 C ATOM 650 OD1 ASN A 80 -15.534 -3.921 3.069 1.00 0.00 O ATOM 651 ND2 ASN A 80 -15.358 -4.957 1.123 1.00 0.00 N ATOM 652 OXT ASN A 80 -18.921 -3.106 4.294 1.00 0.00 O ATOM 0 H ASN A 80 -16.356 -1.617 1.656 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.130 -2.622 1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -18.140 -4.884 2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.712 -4.319 0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -14.348 -5.046 1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -15.812 -5.325 0.287 1.00 0.00 H new