USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 968 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 200 ZNZN :(H bumps) USER MOD NoAdj-H: A 54 HIS HE2 : A 54 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 89 HIS HE2 : A 89 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD NoAdj-H: A 113 HIS HE2 : A 113 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD NoAdj-H: A 118 HIS HE2 : A 118 HIS NE2 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 112 SER OG : rot 180:sc= -0.394 USER MOD Set 1.2: A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 93 MET CE :methyl -127:sc= -1.14 (180deg=-3.36!) USER MOD Set 2.2: A 105 MET CE :methyl -170:sc= -3.63 (180deg=-3.81) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 93:sc= 0.0766 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 15 LYS NZ :NH3+ -120:sc= 0.00334 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -1.25 (180deg=-2.36!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -2.51! C(o=-2.5!,f=-9.1!) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= -0.483 (180deg=-0.822) USER MOD Single : A 31 THR OG1 : rot -58:sc= 0.949 USER MOD Single : A 34 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.0201) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0.132 (180deg=0.0859) USER MOD Single : A 44 CYS SG : rot 47:sc= -1.71 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 58 ASN : amide:sc= -0.654 K(o=-0.65,f=-2.9!) USER MOD Single : A 60 MET CE :methyl 172:sc= 0 (180deg=-0.102) USER MOD Single : A 61 ASN : amide:sc= -0.809 K(o=-0.81,f=-6.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -6:sc= 0.859 USER MOD Single : A 73 GLN : amide:sc= -0.669 X(o=-0.67,f=-0.33) USER MOD Single : A 75 THR OG1 : rot 44:sc= 0.0547 USER MOD Single : A 80 MET CE :methyl -141:sc= -1.43 (180deg=-5.67!) USER MOD Single : A 86 MET CE :methyl 163:sc= -5.18 (180deg=-7.62!) USER MOD Single : A 88 SER OG : rot -75:sc= 0.663 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.523 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -53:sc= 0.0679 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 103 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 106 GLN : amide:sc= -1.68! C(o=-1.7!,f=-1.9!) USER MOD Single : A 107 LYS NZ :NH3+ -155:sc= -0.188 (180deg=-1.16) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.849 X(o=-0.85,f=-1.2!) USER MOD Single : A 114 MET CE :methyl 135:sc= -0.523 (180deg=-2.92!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.271 0.244 1.512 1.00 0.00 N ATOM 2 CA GLY A 1 15.537 -0.157 2.698 1.00 0.00 C ATOM 3 C GLY A 1 15.038 1.028 3.500 1.00 0.00 C ATOM 4 O GLY A 1 15.518 1.286 4.604 1.00 0.00 O ATOM 0 H1 GLY A 1 16.590 -0.602 0.999 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.653 0.810 0.896 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.096 0.812 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.689 -0.776 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.179 -0.773 3.328 1.00 0.00 H new ATOM 8 N SER A 2 14.073 1.753 2.944 1.00 0.00 N ATOM 9 CA SER A 2 13.513 2.922 3.612 1.00 0.00 C ATOM 10 C SER A 2 12.529 2.505 4.701 1.00 0.00 C ATOM 11 O SER A 2 11.526 1.847 4.428 1.00 0.00 O ATOM 12 CB SER A 2 12.814 3.830 2.598 1.00 0.00 C ATOM 13 OG SER A 2 13.741 4.368 1.671 1.00 0.00 O ATOM 0 H SER A 2 13.662 1.551 2.032 1.00 0.00 H new ATOM 0 HA SER A 2 14.332 3.471 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.049 3.265 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.306 4.640 3.121 1.00 0.00 H new ATOM 0 HG SER A 2 13.269 4.943 1.033 1.00 0.00 H new ATOM 19 N SER A 3 12.825 2.894 5.937 1.00 0.00 N ATOM 20 CA SER A 3 11.970 2.558 7.070 1.00 0.00 C ATOM 21 C SER A 3 11.974 3.679 8.105 1.00 0.00 C ATOM 22 O SER A 3 12.941 4.432 8.217 1.00 0.00 O ATOM 23 CB SER A 3 12.433 1.251 7.716 1.00 0.00 C ATOM 24 OG SER A 3 12.236 0.153 6.841 1.00 0.00 O ATOM 0 H SER A 3 13.650 3.442 6.180 1.00 0.00 H new ATOM 0 HA SER A 3 10.952 2.432 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.488 1.326 7.980 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.884 1.085 8.643 1.00 0.00 H new ATOM 0 HG SER A 3 12.541 -0.671 7.276 1.00 0.00 H new ATOM 30 N GLY A 4 10.885 3.783 8.860 1.00 0.00 N ATOM 31 CA GLY A 4 10.782 4.814 9.876 1.00 0.00 C ATOM 32 C GLY A 4 9.459 5.553 9.821 1.00 0.00 C ATOM 33 O GLY A 4 9.418 6.776 9.954 1.00 0.00 O ATOM 0 H GLY A 4 10.072 3.172 8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.902 4.362 10.861 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.598 5.526 9.751 1.00 0.00 H new ATOM 37 N SER A 5 8.376 4.809 9.623 1.00 0.00 N ATOM 38 CA SER A 5 7.046 5.401 9.545 1.00 0.00 C ATOM 39 C SER A 5 6.123 4.807 10.605 1.00 0.00 C ATOM 40 O SER A 5 5.500 3.768 10.389 1.00 0.00 O ATOM 41 CB SER A 5 6.449 5.185 8.153 1.00 0.00 C ATOM 42 OG SER A 5 7.192 5.878 7.166 1.00 0.00 O ATOM 0 H SER A 5 8.393 3.795 9.514 1.00 0.00 H new ATOM 0 HA SER A 5 7.141 6.471 9.730 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.435 4.120 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.414 5.527 8.141 1.00 0.00 H new ATOM 0 HG SER A 5 6.791 5.722 6.285 1.00 0.00 H new ATOM 48 N SER A 6 6.042 5.474 11.751 1.00 0.00 N ATOM 49 CA SER A 6 5.199 5.011 12.847 1.00 0.00 C ATOM 50 C SER A 6 3.732 4.981 12.429 1.00 0.00 C ATOM 51 O SER A 6 3.290 5.790 11.614 1.00 0.00 O ATOM 52 CB SER A 6 5.374 5.914 14.070 1.00 0.00 C ATOM 53 OG SER A 6 4.729 7.162 13.879 1.00 0.00 O ATOM 0 H SER A 6 6.550 6.337 11.945 1.00 0.00 H new ATOM 0 HA SER A 6 5.506 3.998 13.105 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.965 5.421 14.952 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.435 6.075 14.258 1.00 0.00 H new ATOM 0 HG SER A 6 4.854 7.720 14.675 1.00 0.00 H new ATOM 59 N GLY A 7 2.981 4.040 12.994 1.00 0.00 N ATOM 60 CA GLY A 7 1.572 3.920 12.668 1.00 0.00 C ATOM 61 C GLY A 7 0.999 2.573 13.060 1.00 0.00 C ATOM 62 O GLY A 7 1.735 1.666 13.447 1.00 0.00 O ATOM 0 H GLY A 7 3.323 3.359 13.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.017 4.709 13.175 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.436 4.072 11.597 1.00 0.00 H new ATOM 66 N VAL A 8 -0.320 2.441 12.961 1.00 0.00 N ATOM 67 CA VAL A 8 -0.992 1.195 13.308 1.00 0.00 C ATOM 68 C VAL A 8 -0.989 0.223 12.134 1.00 0.00 C ATOM 69 O VAL A 8 -0.691 0.603 11.002 1.00 0.00 O ATOM 70 CB VAL A 8 -2.447 1.445 13.749 1.00 0.00 C ATOM 71 CG1 VAL A 8 -2.485 2.323 14.991 1.00 0.00 C ATOM 72 CG2 VAL A 8 -3.245 2.074 12.617 1.00 0.00 C ATOM 0 H VAL A 8 -0.944 3.182 12.643 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.438 0.758 14.139 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.904 0.487 13.997 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.521 2.489 15.288 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.950 1.829 15.802 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.012 3.281 14.774 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.270 2.244 12.945 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.792 3.025 12.337 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.246 1.405 11.757 1.00 0.00 H new ATOM 82 N GLU A 9 -1.324 -1.033 12.411 1.00 0.00 N ATOM 83 CA GLU A 9 -1.359 -2.060 11.376 1.00 0.00 C ATOM 84 C GLU A 9 -2.479 -3.062 11.643 1.00 0.00 C ATOM 85 O GLU A 9 -2.767 -3.398 12.792 1.00 0.00 O ATOM 86 CB GLU A 9 -0.015 -2.787 11.302 1.00 0.00 C ATOM 87 CG GLU A 9 0.034 -3.868 10.235 1.00 0.00 C ATOM 88 CD GLU A 9 1.437 -4.109 9.714 1.00 0.00 C ATOM 89 OE1 GLU A 9 2.357 -4.278 10.542 1.00 0.00 O ATOM 90 OE2 GLU A 9 1.616 -4.130 8.478 1.00 0.00 O ATOM 0 H GLU A 9 -1.575 -1.364 13.343 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.552 -1.572 10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.772 -2.059 11.106 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.200 -3.236 12.272 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.362 -4.797 10.646 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.614 -3.584 9.406 1.00 0.00 H new ATOM 97 N CYS A 10 -3.107 -3.537 10.572 1.00 0.00 N ATOM 98 CA CYS A 10 -4.195 -4.500 10.688 1.00 0.00 C ATOM 99 C CYS A 10 -3.659 -5.929 10.700 1.00 0.00 C ATOM 100 O CYS A 10 -3.078 -6.408 9.726 1.00 0.00 O ATOM 101 CB CYS A 10 -5.184 -4.325 9.534 1.00 0.00 C ATOM 102 SG CYS A 10 -6.461 -5.621 9.445 1.00 0.00 S ATOM 0 H CYS A 10 -2.881 -3.270 9.614 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.710 -4.316 11.631 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.672 -3.355 9.632 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.631 -4.310 8.595 1.00 0.00 H new ATOM 107 N PRO A 11 -3.857 -6.626 11.828 1.00 0.00 N ATOM 108 CA PRO A 11 -3.402 -8.009 11.994 1.00 0.00 C ATOM 109 C PRO A 11 -4.195 -8.988 11.135 1.00 0.00 C ATOM 110 O PRO A 11 -4.206 -10.191 11.395 1.00 0.00 O ATOM 111 CB PRO A 11 -3.644 -8.286 13.480 1.00 0.00 C ATOM 112 CG PRO A 11 -4.736 -7.350 13.867 1.00 0.00 C ATOM 113 CD PRO A 11 -4.542 -6.117 13.029 1.00 0.00 C ATOM 0 HA PRO A 11 -2.364 -8.136 11.685 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.934 -9.323 13.647 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.743 -8.108 14.068 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.714 -7.795 13.685 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.687 -7.111 14.929 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.493 -5.646 12.780 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.942 -5.369 13.547 1.00 0.00 H new ATOM 121 N THR A 12 -4.857 -8.464 10.108 1.00 0.00 N ATOM 122 CA THR A 12 -5.653 -9.291 9.210 1.00 0.00 C ATOM 123 C THR A 12 -5.119 -9.226 7.784 1.00 0.00 C ATOM 124 O THR A 12 -4.736 -10.244 7.206 1.00 0.00 O ATOM 125 CB THR A 12 -7.132 -8.860 9.212 1.00 0.00 C ATOM 126 OG1 THR A 12 -7.575 -8.635 10.555 1.00 0.00 O ATOM 127 CG2 THR A 12 -8.005 -9.919 8.556 1.00 0.00 C ATOM 0 H THR A 12 -4.857 -7.470 9.878 1.00 0.00 H new ATOM 0 HA THR A 12 -5.580 -10.315 9.576 1.00 0.00 H new ATOM 0 HB THR A 12 -7.219 -7.935 8.641 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.455 -7.690 10.785 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.045 -9.593 8.569 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.684 -10.067 7.525 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.912 -10.857 9.103 1.00 0.00 H new ATOM 135 N CYS A 13 -5.095 -8.023 7.220 1.00 0.00 N ATOM 136 CA CYS A 13 -4.608 -7.824 5.861 1.00 0.00 C ATOM 137 C CYS A 13 -3.291 -7.051 5.863 1.00 0.00 C ATOM 138 O CYS A 13 -2.843 -6.565 4.824 1.00 0.00 O ATOM 139 CB CYS A 13 -5.650 -7.075 5.027 1.00 0.00 C ATOM 140 SG CYS A 13 -6.014 -5.394 5.627 1.00 0.00 S ATOM 0 H CYS A 13 -5.408 -7.170 7.684 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.434 -8.804 5.417 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.299 -7.014 3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.574 -7.653 5.015 1.00 0.00 H new ATOM 145 N HIS A 14 -2.677 -6.943 7.036 1.00 0.00 N ATOM 146 CA HIS A 14 -1.412 -6.231 7.174 1.00 0.00 C ATOM 147 C HIS A 14 -1.490 -4.853 6.522 1.00 0.00 C ATOM 148 O HIS A 14 -0.566 -4.430 5.828 1.00 0.00 O ATOM 149 CB HIS A 14 -0.276 -7.040 6.548 1.00 0.00 C ATOM 150 CG HIS A 14 -0.057 -8.370 7.200 1.00 0.00 C ATOM 151 ND1 HIS A 14 -0.021 -8.540 8.568 1.00 0.00 N ATOM 152 CD2 HIS A 14 0.135 -9.598 6.665 1.00 0.00 C ATOM 153 CE1 HIS A 14 0.186 -9.815 8.846 1.00 0.00 C ATOM 154 NE2 HIS A 14 0.284 -10.479 7.708 1.00 0.00 N ATOM 0 H HIS A 14 -3.035 -7.339 7.905 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.212 -6.100 8.237 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.491 -7.194 5.491 1.00 0.00 H new ATOM 0 HB3 HIS A 14 0.646 -6.461 6.605 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.165 -9.840 5.613 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.262 -10.242 9.835 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.444 -11.482 7.619 1.00 0.00 H new ATOM 162 N LYS A 15 -2.599 -4.158 6.751 1.00 0.00 N ATOM 163 CA LYS A 15 -2.799 -2.829 6.187 1.00 0.00 C ATOM 164 C LYS A 15 -2.514 -1.749 7.226 1.00 0.00 C ATOM 165 O LYS A 15 -3.284 -1.561 8.169 1.00 0.00 O ATOM 166 CB LYS A 15 -4.231 -2.684 5.665 1.00 0.00 C ATOM 167 CG LYS A 15 -4.502 -1.347 4.996 1.00 0.00 C ATOM 168 CD LYS A 15 -5.627 -1.450 3.980 1.00 0.00 C ATOM 169 CE LYS A 15 -5.457 -0.440 2.856 1.00 0.00 C ATOM 170 NZ LYS A 15 -5.740 0.949 3.310 1.00 0.00 N ATOM 0 H LYS A 15 -3.373 -4.494 7.324 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.102 -2.705 5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.432 -3.484 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.926 -2.813 6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.761 -0.606 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.596 -0.996 4.503 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.652 -2.457 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.583 -1.286 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.439 -0.495 2.469 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.125 -0.696 2.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.526 1.342 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.999 0.939 4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.893 1.537 3.176 1.00 0.00 H new ATOM 184 N LYS A 16 -1.405 -1.040 7.047 1.00 0.00 N ATOM 185 CA LYS A 16 -1.019 0.023 7.967 1.00 0.00 C ATOM 186 C LYS A 16 -1.755 1.319 7.640 1.00 0.00 C ATOM 187 O LYS A 16 -2.136 1.556 6.494 1.00 0.00 O ATOM 188 CB LYS A 16 0.493 0.254 7.906 1.00 0.00 C ATOM 189 CG LYS A 16 1.309 -0.920 8.421 1.00 0.00 C ATOM 190 CD LYS A 16 2.633 -0.463 9.008 1.00 0.00 C ATOM 191 CE LYS A 16 3.640 -1.602 9.064 1.00 0.00 C ATOM 192 NZ LYS A 16 4.907 -1.191 9.730 1.00 0.00 N ATOM 0 H LYS A 16 -0.757 -1.183 6.272 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.293 -0.286 8.976 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.779 0.460 6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.740 1.141 8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.739 -1.456 9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.493 -1.621 7.607 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.037 0.352 8.407 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.471 -0.069 10.011 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.205 -2.445 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.856 -1.945 8.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.566 -1.995 9.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.336 -0.403 9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.705 -0.888 10.704 1.00 0.00 H new ATOM 206 N PHE A 17 -1.951 2.154 8.655 1.00 0.00 N ATOM 207 CA PHE A 17 -2.641 3.426 8.475 1.00 0.00 C ATOM 208 C PHE A 17 -1.874 4.561 9.148 1.00 0.00 C ATOM 209 O PHE A 17 -0.787 4.355 9.691 1.00 0.00 O ATOM 210 CB PHE A 17 -4.059 3.346 9.045 1.00 0.00 C ATOM 211 CG PHE A 17 -4.942 2.373 8.319 1.00 0.00 C ATOM 212 CD1 PHE A 17 -4.817 1.010 8.534 1.00 0.00 C ATOM 213 CD2 PHE A 17 -5.898 2.820 7.421 1.00 0.00 C ATOM 214 CE1 PHE A 17 -5.629 0.111 7.868 1.00 0.00 C ATOM 215 CE2 PHE A 17 -6.713 1.926 6.752 1.00 0.00 C ATOM 216 CZ PHE A 17 -6.577 0.570 6.975 1.00 0.00 C ATOM 0 H PHE A 17 -1.642 1.973 9.610 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.697 3.632 7.406 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.004 3.061 10.096 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.514 4.336 9.007 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.076 0.645 9.230 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.008 3.879 7.242 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.522 -0.949 8.046 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.455 2.288 6.056 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.211 -0.130 6.452 1.00 0.00 H new ATOM 226 N LEU A 18 -2.446 5.759 9.107 1.00 0.00 N ATOM 227 CA LEU A 18 -1.817 6.928 9.712 1.00 0.00 C ATOM 228 C LEU A 18 -2.294 7.122 11.148 1.00 0.00 C ATOM 229 O LEU A 18 -1.511 7.472 12.031 1.00 0.00 O ATOM 230 CB LEU A 18 -2.123 8.180 8.888 1.00 0.00 C ATOM 231 CG LEU A 18 -3.602 8.470 8.632 1.00 0.00 C ATOM 232 CD1 LEU A 18 -3.838 9.967 8.502 1.00 0.00 C ATOM 233 CD2 LEU A 18 -4.080 7.743 7.383 1.00 0.00 C ATOM 0 H LEU A 18 -3.344 5.947 8.661 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.740 6.763 9.726 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.687 9.040 9.396 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.619 8.089 7.926 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.176 8.105 9.483 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.896 10.154 8.320 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.535 10.465 9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.252 10.357 7.669 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.135 7.961 7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.500 8.078 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.948 6.669 7.514 1.00 0.00 H new ATOM 245 N SER A 19 -3.583 6.889 11.374 1.00 0.00 N ATOM 246 CA SER A 19 -4.165 7.039 12.703 1.00 0.00 C ATOM 247 C SER A 19 -4.991 5.812 13.076 1.00 0.00 C ATOM 248 O SER A 19 -5.642 5.205 12.225 1.00 0.00 O ATOM 249 CB SER A 19 -5.038 8.294 12.761 1.00 0.00 C ATOM 250 OG SER A 19 -5.172 8.760 14.093 1.00 0.00 O ATOM 0 H SER A 19 -4.244 6.596 10.655 1.00 0.00 H new ATOM 0 HA SER A 19 -3.351 7.138 13.421 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.599 9.076 12.141 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.023 8.075 12.348 1.00 0.00 H new ATOM 0 HG SER A 19 -5.733 9.564 14.104 1.00 0.00 H new ATOM 256 N LYS A 20 -4.960 5.452 14.354 1.00 0.00 N ATOM 257 CA LYS A 20 -5.707 4.299 14.843 1.00 0.00 C ATOM 258 C LYS A 20 -7.171 4.381 14.425 1.00 0.00 C ATOM 259 O LYS A 20 -7.766 3.385 14.014 1.00 0.00 O ATOM 260 CB LYS A 20 -5.605 4.208 16.367 1.00 0.00 C ATOM 261 CG LYS A 20 -5.786 2.800 16.906 1.00 0.00 C ATOM 262 CD LYS A 20 -7.247 2.382 16.895 1.00 0.00 C ATOM 263 CE LYS A 20 -7.510 1.249 17.875 1.00 0.00 C ATOM 264 NZ LYS A 20 -8.942 0.841 17.880 1.00 0.00 N ATOM 0 H LYS A 20 -4.425 5.942 15.071 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.272 3.403 14.402 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.632 4.586 16.681 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.358 4.858 16.813 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.202 2.102 16.306 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.399 2.746 17.924 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.873 3.237 17.149 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.529 2.068 15.890 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.889 0.392 17.614 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.218 1.561 18.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.146 0.302 18.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.544 1.688 17.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.137 0.247 17.049 1.00 0.00 H new ATOM 278 N TYR A 21 -7.746 5.574 14.532 1.00 0.00 N ATOM 279 CA TYR A 21 -9.141 5.786 14.165 1.00 0.00 C ATOM 280 C TYR A 21 -9.458 5.129 12.825 1.00 0.00 C ATOM 281 O TYR A 21 -10.561 4.624 12.614 1.00 0.00 O ATOM 282 CB TYR A 21 -9.451 7.282 14.099 1.00 0.00 C ATOM 283 CG TYR A 21 -10.775 7.598 13.439 1.00 0.00 C ATOM 284 CD1 TYR A 21 -10.918 7.533 12.059 1.00 0.00 C ATOM 285 CD2 TYR A 21 -11.881 7.961 14.196 1.00 0.00 C ATOM 286 CE1 TYR A 21 -12.125 7.821 11.452 1.00 0.00 C ATOM 287 CE2 TYR A 21 -13.093 8.250 13.598 1.00 0.00 C ATOM 288 CZ TYR A 21 -13.210 8.178 12.226 1.00 0.00 C ATOM 289 OH TYR A 21 -14.414 8.466 11.626 1.00 0.00 O ATOM 0 H TYR A 21 -7.267 6.409 14.870 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.766 5.326 14.931 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.452 7.689 15.110 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.653 7.786 13.553 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -10.071 7.253 11.450 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -11.793 8.019 15.271 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.219 7.767 10.377 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -13.943 8.531 14.202 1.00 0.00 H new ATOM 0 HH TYR A 21 -15.074 8.698 12.312 1.00 0.00 H new ATOM 299 N TYR A 22 -8.483 5.141 11.923 1.00 0.00 N ATOM 300 CA TYR A 22 -8.658 4.549 10.602 1.00 0.00 C ATOM 301 C TYR A 22 -8.620 3.025 10.679 1.00 0.00 C ATOM 302 O TYR A 22 -9.322 2.337 9.937 1.00 0.00 O ATOM 303 CB TYR A 22 -7.571 5.049 9.648 1.00 0.00 C ATOM 304 CG TYR A 22 -7.870 6.405 9.049 1.00 0.00 C ATOM 305 CD1 TYR A 22 -9.129 6.699 8.540 1.00 0.00 C ATOM 306 CD2 TYR A 22 -6.893 7.392 8.992 1.00 0.00 C ATOM 307 CE1 TYR A 22 -9.406 7.936 7.991 1.00 0.00 C ATOM 308 CE2 TYR A 22 -7.162 8.632 8.446 1.00 0.00 C ATOM 309 CZ TYR A 22 -8.420 8.899 7.947 1.00 0.00 C ATOM 310 OH TYR A 22 -8.691 10.133 7.401 1.00 0.00 O ATOM 0 H TYR A 22 -7.564 5.554 12.082 1.00 0.00 H new ATOM 0 HA TYR A 22 -9.634 4.852 10.222 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.623 5.099 10.184 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -7.444 4.325 8.843 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.904 5.948 8.574 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.907 7.186 9.381 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.390 8.148 7.598 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -6.392 9.388 8.410 1.00 0.00 H new ATOM 0 HH TYR A 22 -7.890 10.695 7.449 1.00 0.00 H new ATOM 320 N LEU A 23 -7.796 2.506 11.582 1.00 0.00 N ATOM 321 CA LEU A 23 -7.665 1.063 11.758 1.00 0.00 C ATOM 322 C LEU A 23 -8.965 0.458 12.278 1.00 0.00 C ATOM 323 O LEU A 23 -9.516 -0.466 11.679 1.00 0.00 O ATOM 324 CB LEU A 23 -6.521 0.749 12.724 1.00 0.00 C ATOM 325 CG LEU A 23 -6.202 -0.733 12.926 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.645 -1.338 11.647 1.00 0.00 C ATOM 327 CD2 LEU A 23 -5.221 -0.914 14.076 1.00 0.00 C ATOM 0 H LEU A 23 -7.209 3.062 12.204 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.443 0.622 10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.621 1.248 12.365 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.761 1.184 13.694 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.126 -1.254 13.177 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.424 -2.393 11.810 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.380 -1.240 10.848 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.731 -0.815 11.365 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.005 -1.974 14.206 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.297 -0.380 13.854 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.658 -0.518 14.993 1.00 0.00 H new ATOM 339 N LYS A 24 -9.453 0.988 13.395 1.00 0.00 N ATOM 340 CA LYS A 24 -10.691 0.503 13.995 1.00 0.00 C ATOM 341 C LYS A 24 -11.837 0.549 12.989 1.00 0.00 C ATOM 342 O LYS A 24 -12.610 -0.402 12.870 1.00 0.00 O ATOM 343 CB LYS A 24 -11.046 1.339 15.227 1.00 0.00 C ATOM 344 CG LYS A 24 -11.336 2.796 14.910 1.00 0.00 C ATOM 345 CD LYS A 24 -11.407 3.637 16.174 1.00 0.00 C ATOM 346 CE LYS A 24 -12.249 4.887 15.964 1.00 0.00 C ATOM 347 NZ LYS A 24 -12.546 5.577 17.250 1.00 0.00 N ATOM 0 H LYS A 24 -9.010 1.754 13.903 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.538 -0.533 14.298 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.917 0.901 15.714 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.223 1.288 15.940 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.559 3.188 14.254 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -12.279 2.871 14.368 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.830 3.043 16.984 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.400 3.922 16.480 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.724 5.571 15.297 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.184 4.617 15.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.121 6.423 17.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.069 4.933 17.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.655 5.857 17.707 1.00 0.00 H new ATOM 361 N VAL A 25 -11.940 1.659 12.266 1.00 0.00 N ATOM 362 CA VAL A 25 -12.990 1.827 11.268 1.00 0.00 C ATOM 363 C VAL A 25 -12.801 0.862 10.104 1.00 0.00 C ATOM 364 O VAL A 25 -13.770 0.327 9.564 1.00 0.00 O ATOM 365 CB VAL A 25 -13.023 3.268 10.726 1.00 0.00 C ATOM 366 CG1 VAL A 25 -14.088 3.409 9.649 1.00 0.00 C ATOM 367 CG2 VAL A 25 -13.263 4.258 11.856 1.00 0.00 C ATOM 0 H VAL A 25 -11.309 2.456 12.352 1.00 0.00 H new ATOM 0 HA VAL A 25 -13.936 1.612 11.764 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.055 3.491 10.278 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -14.097 4.434 9.278 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -13.867 2.727 8.828 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -15.064 3.167 10.069 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.283 5.271 11.454 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -14.217 4.039 12.335 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.461 4.175 12.589 1.00 0.00 H new ATOM 377 N HIS A 26 -11.547 0.642 9.721 1.00 0.00 N ATOM 378 CA HIS A 26 -11.231 -0.261 8.621 1.00 0.00 C ATOM 379 C HIS A 26 -11.519 -1.709 9.006 1.00 0.00 C ATOM 380 O HIS A 26 -12.064 -2.475 8.213 1.00 0.00 O ATOM 381 CB HIS A 26 -9.764 -0.111 8.215 1.00 0.00 C ATOM 382 CG HIS A 26 -9.155 -1.375 7.692 1.00 0.00 C ATOM 383 ND1 HIS A 26 -9.070 -1.670 6.348 1.00 0.00 N ATOM 384 CD2 HIS A 26 -8.596 -2.423 8.342 1.00 0.00 C ATOM 385 CE1 HIS A 26 -8.488 -2.845 6.193 1.00 0.00 C ATOM 386 NE2 HIS A 26 -8.190 -3.323 7.388 1.00 0.00 N ATOM 0 H HIS A 26 -10.734 1.077 10.156 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.864 0.004 7.774 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.684 0.664 7.452 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.190 0.230 9.077 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -9.405 -1.074 5.591 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.489 -2.531 9.411 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.289 -3.332 5.250 1.00 0.00 H new ATOM 394 N ASN A 27 -11.147 -2.076 10.228 1.00 0.00 N ATOM 395 CA ASN A 27 -11.364 -3.433 10.717 1.00 0.00 C ATOM 396 C ASN A 27 -12.802 -3.878 10.467 1.00 0.00 C ATOM 397 O ASN A 27 -13.083 -5.072 10.363 1.00 0.00 O ATOM 398 CB ASN A 27 -11.046 -3.515 12.212 1.00 0.00 C ATOM 399 CG ASN A 27 -11.661 -4.736 12.867 1.00 0.00 C ATOM 400 OD1 ASN A 27 -11.258 -5.868 12.597 1.00 0.00 O ATOM 401 ND2 ASN A 27 -12.642 -4.512 13.734 1.00 0.00 N ATOM 0 H ASN A 27 -10.694 -1.453 10.897 1.00 0.00 H new ATOM 0 HA ASN A 27 -10.696 -4.100 10.172 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.965 -3.538 12.350 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -11.412 -2.616 12.708 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -13.094 -5.295 14.207 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.944 -3.557 13.927 1.00 0.00 H new ATOM 408 N ARG A 28 -13.707 -2.910 10.370 1.00 0.00 N ATOM 409 CA ARG A 28 -15.115 -3.201 10.132 1.00 0.00 C ATOM 410 C ARG A 28 -15.273 -4.423 9.232 1.00 0.00 C ATOM 411 O ARG A 28 -16.171 -5.242 9.429 1.00 0.00 O ATOM 412 CB ARG A 28 -15.808 -1.994 9.498 1.00 0.00 C ATOM 413 CG ARG A 28 -16.327 -0.987 10.512 1.00 0.00 C ATOM 414 CD ARG A 28 -16.942 0.224 9.829 1.00 0.00 C ATOM 415 NE ARG A 28 -18.078 -0.140 8.987 1.00 0.00 N ATOM 416 CZ ARG A 28 -18.978 0.734 8.549 1.00 0.00 C ATOM 417 NH1 ARG A 28 -18.874 2.016 8.871 1.00 0.00 N ATOM 418 NH2 ARG A 28 -19.985 0.326 7.786 1.00 0.00 N ATOM 0 H ARG A 28 -13.490 -1.917 10.453 1.00 0.00 H new ATOM 0 HA ARG A 28 -15.583 -3.416 11.093 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.108 -1.494 8.828 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -16.640 -2.343 8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -17.071 -1.463 11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -15.510 -0.666 11.158 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -17.265 0.940 10.584 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -16.185 0.721 9.222 1.00 0.00 H new ATOM 0 HE ARG A 28 -18.187 -1.119 8.720 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.102 2.334 9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.566 2.684 8.533 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -20.068 -0.659 7.535 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -20.675 0.998 7.450 1.00 0.00 H new ATOM 432 N LYS A 29 -14.394 -4.539 8.242 1.00 0.00 N ATOM 433 CA LYS A 29 -14.434 -5.661 7.311 1.00 0.00 C ATOM 434 C LYS A 29 -14.209 -6.982 8.040 1.00 0.00 C ATOM 435 O LYS A 29 -15.061 -7.870 8.012 1.00 0.00 O ATOM 436 CB LYS A 29 -13.376 -5.482 6.220 1.00 0.00 C ATOM 437 CG LYS A 29 -13.675 -4.340 5.264 1.00 0.00 C ATOM 438 CD LYS A 29 -14.510 -4.805 4.083 1.00 0.00 C ATOM 439 CE LYS A 29 -13.635 -5.224 2.912 1.00 0.00 C ATOM 440 NZ LYS A 29 -12.913 -6.497 3.187 1.00 0.00 N ATOM 0 H LYS A 29 -13.645 -3.870 8.064 1.00 0.00 H new ATOM 0 HA LYS A 29 -15.422 -5.684 6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.408 -5.308 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.292 -6.408 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.204 -3.549 5.795 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.740 -3.912 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -15.138 -5.642 4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.178 -4.003 3.770 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.252 -5.342 2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.913 -4.436 2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.550 -6.890 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.119 -6.313 3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.565 -7.178 3.626 1.00 0.00 H new ATOM 454 N HIS A 30 -13.057 -7.104 8.693 1.00 0.00 N ATOM 455 CA HIS A 30 -12.722 -8.316 9.431 1.00 0.00 C ATOM 456 C HIS A 30 -13.485 -8.377 10.751 1.00 0.00 C ATOM 457 O HIS A 30 -14.402 -9.183 10.914 1.00 0.00 O ATOM 458 CB HIS A 30 -11.217 -8.378 9.695 1.00 0.00 C ATOM 459 CG HIS A 30 -10.389 -7.837 8.570 1.00 0.00 C ATOM 460 ND1 HIS A 30 -10.248 -8.485 7.361 1.00 0.00 N ATOM 461 CD2 HIS A 30 -9.657 -6.703 8.475 1.00 0.00 C ATOM 462 CE1 HIS A 30 -9.463 -7.773 6.572 1.00 0.00 C ATOM 463 NE2 HIS A 30 -9.092 -6.686 7.224 1.00 0.00 N ATOM 0 H HIS A 30 -12.341 -6.379 8.726 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.012 -9.173 8.824 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -10.992 -7.818 10.603 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -10.931 -9.413 9.880 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -10.682 -9.375 7.114 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.539 -5.951 9.241 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.174 -8.035 5.565 1.00 0.00 H new ATOM 471 N THR A 31 -13.100 -7.520 11.692 1.00 0.00 N ATOM 472 CA THR A 31 -13.746 -7.478 12.997 1.00 0.00 C ATOM 473 C THR A 31 -14.291 -8.847 13.386 1.00 0.00 C ATOM 474 O THR A 31 -15.471 -8.989 13.704 1.00 0.00 O ATOM 475 CB THR A 31 -14.897 -6.454 13.022 1.00 0.00 C ATOM 476 OG1 THR A 31 -15.564 -6.498 14.288 1.00 0.00 O ATOM 477 CG2 THR A 31 -15.894 -6.734 11.908 1.00 0.00 C ATOM 0 H THR A 31 -12.344 -6.846 11.574 1.00 0.00 H new ATOM 0 HA THR A 31 -12.985 -7.176 13.716 1.00 0.00 H new ATOM 0 HB THR A 31 -14.474 -5.461 12.869 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.907 -7.402 14.446 1.00 0.00 H new ATOM 0 HG21 THR A 31 -16.698 -5.998 11.946 1.00 0.00 H new ATOM 0 HG22 THR A 31 -15.389 -6.671 10.944 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.311 -7.733 12.035 1.00 0.00 H new ATOM 485 N GLY A 32 -13.423 -9.854 13.359 1.00 0.00 N ATOM 486 CA GLY A 32 -13.836 -11.200 13.711 1.00 0.00 C ATOM 487 C GLY A 32 -12.686 -12.186 13.682 1.00 0.00 C ATOM 488 O GLY A 32 -12.268 -12.630 12.613 1.00 0.00 O ATOM 0 H GLY A 32 -12.441 -9.761 13.100 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -14.278 -11.192 14.707 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.612 -11.531 13.020 1.00 0.00 H new ATOM 492 N GLU A 33 -12.173 -12.530 14.859 1.00 0.00 N ATOM 493 CA GLU A 33 -11.061 -13.468 14.963 1.00 0.00 C ATOM 494 C GLU A 33 -11.438 -14.824 14.372 1.00 0.00 C ATOM 495 O GLU A 33 -12.609 -15.204 14.357 1.00 0.00 O ATOM 496 CB GLU A 33 -10.640 -13.635 16.424 1.00 0.00 C ATOM 497 CG GLU A 33 -9.234 -14.184 16.594 1.00 0.00 C ATOM 498 CD GLU A 33 -8.173 -13.103 16.520 1.00 0.00 C ATOM 499 OE1 GLU A 33 -8.394 -12.015 17.093 1.00 0.00 O ATOM 500 OE2 GLU A 33 -7.123 -13.344 15.889 1.00 0.00 O ATOM 0 H GLU A 33 -12.509 -12.174 15.754 1.00 0.00 H new ATOM 0 HA GLU A 33 -10.223 -13.063 14.396 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.707 -12.669 16.925 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.344 -14.302 16.922 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.161 -14.695 17.554 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.043 -14.929 15.822 1.00 0.00 H new ATOM 507 N LYS A 34 -10.436 -15.549 13.886 1.00 0.00 N ATOM 508 CA LYS A 34 -10.659 -16.863 13.295 1.00 0.00 C ATOM 509 C LYS A 34 -9.780 -17.916 13.961 1.00 0.00 C ATOM 510 O LYS A 34 -8.681 -17.631 14.438 1.00 0.00 O ATOM 511 CB LYS A 34 -10.375 -16.824 11.791 1.00 0.00 C ATOM 512 CG LYS A 34 -11.439 -16.093 10.990 1.00 0.00 C ATOM 513 CD LYS A 34 -12.658 -16.969 10.754 1.00 0.00 C ATOM 514 CE LYS A 34 -13.759 -16.208 10.031 1.00 0.00 C ATOM 515 NZ LYS A 34 -13.646 -16.339 8.553 1.00 0.00 N ATOM 0 H LYS A 34 -9.461 -15.248 13.890 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.703 -17.132 13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.412 -16.342 11.624 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.290 -17.845 11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.737 -15.188 11.520 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.024 -15.780 10.032 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.372 -17.842 10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.034 -17.336 11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.731 -16.580 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.713 -15.154 10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.609 -15.393 8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.778 -16.861 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.471 -16.854 8.186 1.00 0.00 H new ATOM 529 N PRO A 35 -10.272 -19.164 13.996 1.00 0.00 N ATOM 530 CA PRO A 35 -9.546 -20.285 14.600 1.00 0.00 C ATOM 531 C PRO A 35 -8.320 -20.686 13.788 1.00 0.00 C ATOM 532 O PRO A 35 -7.230 -20.856 14.334 1.00 0.00 O ATOM 533 CB PRO A 35 -10.579 -21.415 14.604 1.00 0.00 C ATOM 534 CG PRO A 35 -11.514 -21.077 13.495 1.00 0.00 C ATOM 535 CD PRO A 35 -11.575 -19.576 13.448 1.00 0.00 C ATOM 0 HA PRO A 35 -9.162 -20.037 15.589 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.107 -22.384 14.442 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.101 -21.471 15.559 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.159 -21.483 12.548 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.502 -21.502 13.674 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -11.716 -19.211 12.431 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.402 -19.189 14.043 1.00 0.00 H new ATOM 543 N PHE A 36 -8.505 -20.837 12.481 1.00 0.00 N ATOM 544 CA PHE A 36 -7.414 -21.219 11.593 1.00 0.00 C ATOM 545 C PHE A 36 -7.419 -20.368 10.326 1.00 0.00 C ATOM 546 O PHE A 36 -8.412 -19.714 10.010 1.00 0.00 O ATOM 547 CB PHE A 36 -7.522 -22.700 11.225 1.00 0.00 C ATOM 548 CG PHE A 36 -7.846 -23.586 12.395 1.00 0.00 C ATOM 549 CD1 PHE A 36 -6.856 -23.975 13.282 1.00 0.00 C ATOM 550 CD2 PHE A 36 -9.142 -24.028 12.606 1.00 0.00 C ATOM 551 CE1 PHE A 36 -7.152 -24.790 14.358 1.00 0.00 C ATOM 552 CE2 PHE A 36 -9.444 -24.844 13.681 1.00 0.00 C ATOM 553 CZ PHE A 36 -8.448 -25.224 14.559 1.00 0.00 C ATOM 0 H PHE A 36 -9.401 -20.700 12.013 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.475 -21.050 12.120 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -8.292 -22.822 10.463 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.581 -23.026 10.782 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.841 -23.638 13.131 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.925 -23.732 11.924 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.370 -25.088 15.041 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.458 -25.184 13.834 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.682 -25.859 15.401 1.00 0.00 H new ATOM 563 N GLU A 37 -6.301 -20.382 9.606 1.00 0.00 N ATOM 564 CA GLU A 37 -6.177 -19.610 8.376 1.00 0.00 C ATOM 565 C GLU A 37 -4.976 -20.078 7.559 1.00 0.00 C ATOM 566 O GLU A 37 -3.861 -20.175 8.073 1.00 0.00 O ATOM 567 CB GLU A 37 -6.042 -18.119 8.693 1.00 0.00 C ATOM 568 CG GLU A 37 -5.889 -17.245 7.460 1.00 0.00 C ATOM 569 CD GLU A 37 -5.468 -15.828 7.797 1.00 0.00 C ATOM 570 OE1 GLU A 37 -4.396 -15.659 8.415 1.00 0.00 O ATOM 571 OE2 GLU A 37 -6.211 -14.889 7.443 1.00 0.00 O ATOM 0 H GLU A 37 -5.470 -20.919 9.853 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.080 -19.768 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.920 -17.794 9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.179 -17.971 9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.151 -17.690 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.834 -17.220 6.918 1.00 0.00 H new ATOM 578 N CYS A 38 -5.211 -20.367 6.284 1.00 0.00 N ATOM 579 CA CYS A 38 -4.151 -20.826 5.395 1.00 0.00 C ATOM 580 C CYS A 38 -2.856 -20.061 5.652 1.00 0.00 C ATOM 581 O CYS A 38 -2.727 -18.881 5.326 1.00 0.00 O ATOM 582 CB CYS A 38 -4.573 -20.658 3.934 1.00 0.00 C ATOM 583 SG CYS A 38 -3.808 -21.857 2.796 1.00 0.00 S ATOM 0 H CYS A 38 -6.127 -20.291 5.843 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.975 -21.883 5.596 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.657 -20.751 3.867 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.319 -19.650 3.607 1.00 0.00 H new ATOM 588 N PRO A 39 -1.873 -20.748 6.253 1.00 0.00 N ATOM 589 CA PRO A 39 -0.570 -20.155 6.567 1.00 0.00 C ATOM 590 C PRO A 39 0.256 -19.874 5.317 1.00 0.00 C ATOM 591 O PRO A 39 1.399 -19.424 5.403 1.00 0.00 O ATOM 592 CB PRO A 39 0.109 -21.223 7.428 1.00 0.00 C ATOM 593 CG PRO A 39 -0.536 -22.503 7.020 1.00 0.00 C ATOM 594 CD PRO A 39 -1.957 -22.158 6.670 1.00 0.00 C ATOM 0 HA PRO A 39 -0.671 -19.190 7.063 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.185 -21.248 7.253 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.037 -21.027 8.490 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.021 -22.945 6.167 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.500 -23.233 7.828 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.339 -22.792 5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.623 -22.286 7.523 1.00 0.00 H new ATOM 602 N LYS A 40 -0.329 -20.143 4.154 1.00 0.00 N ATOM 603 CA LYS A 40 0.352 -19.918 2.884 1.00 0.00 C ATOM 604 C LYS A 40 -0.136 -18.632 2.225 1.00 0.00 C ATOM 605 O LYS A 40 0.656 -17.861 1.683 1.00 0.00 O ATOM 606 CB LYS A 40 0.126 -21.104 1.944 1.00 0.00 C ATOM 607 CG LYS A 40 0.587 -22.432 2.517 1.00 0.00 C ATOM 608 CD LYS A 40 2.006 -22.763 2.086 1.00 0.00 C ATOM 609 CE LYS A 40 3.028 -22.243 3.086 1.00 0.00 C ATOM 610 NZ LYS A 40 3.249 -23.203 4.202 1.00 0.00 N ATOM 0 H LYS A 40 -1.274 -20.517 4.065 1.00 0.00 H new ATOM 0 HA LYS A 40 1.419 -19.820 3.085 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.935 -21.170 1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.653 -20.920 1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.535 -22.397 3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.087 -23.224 2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.113 -23.843 1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.201 -22.328 1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.973 -22.055 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.689 -21.289 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.952 -22.812 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.353 -23.363 4.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.597 -24.105 3.820 1.00 0.00 H new ATOM 624 N CYS A 41 -1.444 -18.406 2.277 1.00 0.00 N ATOM 625 CA CYS A 41 -2.039 -17.213 1.686 1.00 0.00 C ATOM 626 C CYS A 41 -2.690 -16.342 2.757 1.00 0.00 C ATOM 627 O CYS A 41 -2.559 -15.119 2.742 1.00 0.00 O ATOM 628 CB CYS A 41 -3.075 -17.603 0.631 1.00 0.00 C ATOM 629 SG CYS A 41 -4.480 -18.560 1.287 1.00 0.00 S ATOM 0 H CYS A 41 -2.113 -19.034 2.723 1.00 0.00 H new ATOM 0 HA CYS A 41 -1.244 -16.639 1.210 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -3.455 -16.697 0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -2.583 -18.187 -0.147 1.00 0.00 H new ATOM 634 N GLY A 42 -3.392 -16.983 3.687 1.00 0.00 N ATOM 635 CA GLY A 42 -4.053 -16.253 4.752 1.00 0.00 C ATOM 636 C GLY A 42 -5.564 -16.330 4.658 1.00 0.00 C ATOM 637 O GLY A 42 -6.264 -15.370 4.980 1.00 0.00 O ATOM 0 H GLY A 42 -3.514 -17.995 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.731 -16.651 5.715 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.743 -15.209 4.719 1.00 0.00 H new ATOM 641 N LYS A 43 -6.070 -17.475 4.212 1.00 0.00 N ATOM 642 CA LYS A 43 -7.507 -17.676 4.075 1.00 0.00 C ATOM 643 C LYS A 43 -8.081 -18.367 5.308 1.00 0.00 C ATOM 644 O LYS A 43 -7.768 -19.526 5.583 1.00 0.00 O ATOM 645 CB LYS A 43 -7.810 -18.505 2.825 1.00 0.00 C ATOM 646 CG LYS A 43 -9.290 -18.579 2.488 1.00 0.00 C ATOM 647 CD LYS A 43 -9.817 -17.241 1.999 1.00 0.00 C ATOM 648 CE LYS A 43 -11.337 -17.192 2.041 1.00 0.00 C ATOM 649 NZ LYS A 43 -11.850 -17.054 3.432 1.00 0.00 N ATOM 0 H LYS A 43 -5.505 -18.279 3.939 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.977 -16.697 3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.274 -18.078 1.977 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.427 -19.516 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.452 -19.337 1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.850 -18.892 3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.409 -16.440 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.474 -17.064 0.980 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.690 -16.355 1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.742 -18.099 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.881 -16.922 3.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.622 -17.913 3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.405 -16.231 3.886 1.00 0.00 H new ATOM 663 N CYS A 44 -8.921 -17.649 6.045 1.00 0.00 N ATOM 664 CA CYS A 44 -9.539 -18.195 7.249 1.00 0.00 C ATOM 665 C CYS A 44 -10.681 -19.140 6.893 1.00 0.00 C ATOM 666 O CYS A 44 -11.333 -18.982 5.861 1.00 0.00 O ATOM 667 CB CYS A 44 -10.055 -17.063 8.139 1.00 0.00 C ATOM 668 SG CYS A 44 -8.764 -15.951 8.742 1.00 0.00 S ATOM 0 H CYS A 44 -9.190 -16.689 5.831 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.782 -18.759 7.793 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -10.788 -16.482 7.580 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -10.575 -17.496 8.994 1.00 0.00 H new ATOM 0 HG CYS A 44 -7.980 -15.623 7.758 1.00 0.00 H new ATOM 674 N TYR A 45 -10.918 -20.124 7.754 1.00 0.00 N ATOM 675 CA TYR A 45 -11.979 -21.098 7.529 1.00 0.00 C ATOM 676 C TYR A 45 -12.368 -21.791 8.831 1.00 0.00 C ATOM 677 O TYR A 45 -11.616 -22.610 9.361 1.00 0.00 O ATOM 678 CB TYR A 45 -11.536 -22.137 6.497 1.00 0.00 C ATOM 679 CG TYR A 45 -11.801 -21.722 5.068 1.00 0.00 C ATOM 680 CD1 TYR A 45 -13.086 -21.408 4.641 1.00 0.00 C ATOM 681 CD2 TYR A 45 -10.767 -21.644 4.143 1.00 0.00 C ATOM 682 CE1 TYR A 45 -13.333 -21.029 3.336 1.00 0.00 C ATOM 683 CE2 TYR A 45 -11.004 -21.264 2.836 1.00 0.00 C ATOM 684 CZ TYR A 45 -12.289 -20.958 2.438 1.00 0.00 C ATOM 685 OH TYR A 45 -12.529 -20.581 1.136 1.00 0.00 O ATOM 0 H TYR A 45 -10.389 -20.268 8.614 1.00 0.00 H new ATOM 0 HA TYR A 45 -12.851 -20.566 7.148 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.470 -22.327 6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -12.052 -23.077 6.695 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -13.906 -21.461 5.342 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.760 -21.885 4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -14.338 -20.790 3.021 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.188 -21.207 2.130 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.687 -20.581 0.635 1.00 0.00 H new ATOM 695 N PHE A 46 -13.548 -21.457 9.342 1.00 0.00 N ATOM 696 CA PHE A 46 -14.038 -22.047 10.583 1.00 0.00 C ATOM 697 C PHE A 46 -13.759 -23.546 10.620 1.00 0.00 C ATOM 698 O PHE A 46 -13.205 -24.061 11.591 1.00 0.00 O ATOM 699 CB PHE A 46 -15.540 -21.792 10.735 1.00 0.00 C ATOM 700 CG PHE A 46 -16.000 -20.518 10.087 1.00 0.00 C ATOM 701 CD1 PHE A 46 -16.366 -20.497 8.750 1.00 0.00 C ATOM 702 CD2 PHE A 46 -16.067 -19.340 10.814 1.00 0.00 C ATOM 703 CE1 PHE A 46 -16.790 -19.327 8.151 1.00 0.00 C ATOM 704 CE2 PHE A 46 -16.492 -18.167 10.220 1.00 0.00 C ATOM 705 CZ PHE A 46 -16.852 -18.160 8.886 1.00 0.00 C ATOM 0 H PHE A 46 -14.183 -20.781 8.917 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.510 -21.577 11.413 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -16.088 -22.629 10.302 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -15.790 -21.762 11.796 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -16.319 -21.407 8.170 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -15.784 -19.339 11.856 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -17.073 -19.325 7.109 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -16.543 -17.256 10.798 1.00 0.00 H new ATOM 0 HZ PHE A 46 -17.181 -17.243 8.419 1.00 0.00 H new ATOM 715 N ARG A 47 -14.148 -24.241 9.556 1.00 0.00 N ATOM 716 CA ARG A 47 -13.942 -25.682 9.467 1.00 0.00 C ATOM 717 C ARG A 47 -12.535 -26.000 8.968 1.00 0.00 C ATOM 718 O ARG A 47 -12.134 -25.563 7.889 1.00 0.00 O ATOM 719 CB ARG A 47 -14.979 -26.310 8.535 1.00 0.00 C ATOM 720 CG ARG A 47 -16.407 -26.188 9.042 1.00 0.00 C ATOM 721 CD ARG A 47 -17.058 -24.899 8.566 1.00 0.00 C ATOM 722 NE ARG A 47 -18.415 -24.748 9.084 1.00 0.00 N ATOM 723 CZ ARG A 47 -19.451 -25.460 8.652 1.00 0.00 C ATOM 724 NH1 ARG A 47 -19.284 -26.368 7.700 1.00 0.00 N ATOM 725 NH2 ARG A 47 -20.655 -25.265 9.173 1.00 0.00 N ATOM 0 H ARG A 47 -14.608 -23.830 8.744 1.00 0.00 H new ATOM 0 HA ARG A 47 -14.059 -26.103 10.466 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.909 -25.837 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -14.740 -27.365 8.398 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -16.991 -27.041 8.697 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -16.411 -26.219 10.132 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -16.453 -24.049 8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.082 -24.886 7.476 1.00 0.00 H new ATOM 0 HE ARG A 47 -18.577 -24.058 9.818 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.359 -26.521 7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -20.080 -26.913 7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -20.787 -24.568 9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -21.449 -25.812 8.841 1.00 0.00 H new ATOM 739 N LYS A 48 -11.790 -26.763 9.760 1.00 0.00 N ATOM 740 CA LYS A 48 -10.429 -27.141 9.401 1.00 0.00 C ATOM 741 C LYS A 48 -10.395 -27.819 8.035 1.00 0.00 C ATOM 742 O LYS A 48 -9.533 -27.525 7.207 1.00 0.00 O ATOM 743 CB LYS A 48 -9.840 -28.075 10.460 1.00 0.00 C ATOM 744 CG LYS A 48 -8.327 -28.199 10.388 1.00 0.00 C ATOM 745 CD LYS A 48 -7.729 -28.513 11.749 1.00 0.00 C ATOM 746 CE LYS A 48 -6.216 -28.656 11.673 1.00 0.00 C ATOM 747 NZ LYS A 48 -5.807 -30.047 11.337 1.00 0.00 N ATOM 0 H LYS A 48 -12.107 -27.132 10.656 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.828 -26.233 9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.120 -27.712 11.449 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.283 -29.064 10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.058 -28.984 9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.902 -27.270 10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.986 -27.721 12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.164 -29.435 12.135 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.824 -27.971 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.776 -28.369 12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.769 -30.103 11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.159 -30.698 12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.206 -30.313 10.414 1.00 0.00 H new ATOM 761 N GLU A 49 -11.340 -28.725 7.806 1.00 0.00 N ATOM 762 CA GLU A 49 -11.418 -29.444 6.539 1.00 0.00 C ATOM 763 C GLU A 49 -11.358 -28.476 5.360 1.00 0.00 C ATOM 764 O GLU A 49 -10.463 -28.560 4.520 1.00 0.00 O ATOM 765 CB GLU A 49 -12.706 -30.267 6.472 1.00 0.00 C ATOM 766 CG GLU A 49 -12.721 -31.452 7.422 1.00 0.00 C ATOM 767 CD GLU A 49 -12.817 -31.033 8.876 1.00 0.00 C ATOM 768 OE1 GLU A 49 -13.936 -30.715 9.330 1.00 0.00 O ATOM 769 OE2 GLU A 49 -11.772 -31.024 9.561 1.00 0.00 O ATOM 0 H GLU A 49 -12.062 -28.979 8.480 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.562 -30.117 6.479 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.553 -29.620 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -12.844 -30.627 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.564 -32.098 7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.815 -32.041 7.277 1.00 0.00 H new ATOM 776 N ASN A 50 -12.317 -27.558 5.306 1.00 0.00 N ATOM 777 CA ASN A 50 -12.375 -26.575 4.230 1.00 0.00 C ATOM 778 C ASN A 50 -11.000 -25.963 3.979 1.00 0.00 C ATOM 779 O ASN A 50 -10.561 -25.844 2.834 1.00 0.00 O ATOM 780 CB ASN A 50 -13.381 -25.474 4.571 1.00 0.00 C ATOM 781 CG ASN A 50 -14.797 -25.841 4.171 1.00 0.00 C ATOM 782 OD1 ASN A 50 -15.269 -26.942 4.456 1.00 0.00 O ATOM 783 ND2 ASN A 50 -15.483 -24.918 3.507 1.00 0.00 N ATOM 0 H ASN A 50 -13.065 -27.474 5.995 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.698 -27.085 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.349 -25.275 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.091 -24.552 4.067 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -16.441 -25.108 3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -15.052 -24.019 3.292 1.00 0.00 H new ATOM 790 N LEU A 51 -10.324 -25.578 5.055 1.00 0.00 N ATOM 791 CA LEU A 51 -8.998 -24.978 4.952 1.00 0.00 C ATOM 792 C LEU A 51 -8.016 -25.940 4.292 1.00 0.00 C ATOM 793 O LEU A 51 -7.365 -25.598 3.304 1.00 0.00 O ATOM 794 CB LEU A 51 -8.487 -24.581 6.338 1.00 0.00 C ATOM 795 CG LEU A 51 -6.996 -24.258 6.437 1.00 0.00 C ATOM 796 CD1 LEU A 51 -6.684 -22.955 5.717 1.00 0.00 C ATOM 797 CD2 LEU A 51 -6.562 -24.182 7.893 1.00 0.00 C ATOM 0 H LEU A 51 -10.672 -25.670 6.009 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.077 -24.085 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.050 -23.711 6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.709 -25.392 7.031 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.437 -25.060 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.618 -22.741 5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.957 -23.046 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.253 -22.143 6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.498 -23.951 7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.127 -23.401 8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.749 -25.140 8.379 1.00 0.00 H new ATOM 809 N LEU A 52 -7.915 -27.145 4.842 1.00 0.00 N ATOM 810 CA LEU A 52 -7.013 -28.158 4.305 1.00 0.00 C ATOM 811 C LEU A 52 -7.254 -28.365 2.813 1.00 0.00 C ATOM 812 O LEU A 52 -6.324 -28.296 2.010 1.00 0.00 O ATOM 813 CB LEU A 52 -7.198 -29.480 5.052 1.00 0.00 C ATOM 814 CG LEU A 52 -6.899 -29.452 6.551 1.00 0.00 C ATOM 815 CD1 LEU A 52 -7.398 -30.724 7.219 1.00 0.00 C ATOM 816 CD2 LEU A 52 -5.408 -29.269 6.794 1.00 0.00 C ATOM 0 H LEU A 52 -8.447 -27.444 5.659 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.990 -27.809 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.227 -29.811 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.557 -30.229 4.588 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.425 -28.605 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.176 -30.686 8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.475 -30.812 7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.901 -31.587 6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.214 -29.251 7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.861 -30.095 6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.080 -28.329 6.350 1.00 0.00 H new ATOM 828 N GLU A 53 -8.508 -28.618 2.451 1.00 0.00 N ATOM 829 CA GLU A 53 -8.870 -28.834 1.055 1.00 0.00 C ATOM 830 C GLU A 53 -8.279 -27.744 0.165 1.00 0.00 C ATOM 831 O GLU A 53 -7.514 -28.027 -0.758 1.00 0.00 O ATOM 832 CB GLU A 53 -10.391 -28.867 0.899 1.00 0.00 C ATOM 833 CG GLU A 53 -11.063 -29.964 1.706 1.00 0.00 C ATOM 834 CD GLU A 53 -12.446 -30.307 1.189 1.00 0.00 C ATOM 835 OE1 GLU A 53 -12.717 -30.039 -0.001 1.00 0.00 O ATOM 836 OE2 GLU A 53 -13.258 -30.841 1.972 1.00 0.00 O ATOM 0 H GLU A 53 -9.289 -28.678 3.104 1.00 0.00 H new ATOM 0 HA GLU A 53 -8.460 -29.795 0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -10.800 -27.903 1.202 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.637 -29.001 -0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.440 -30.858 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.136 -29.650 2.747 1.00 0.00 H new ATOM 843 N HIS A 54 -8.640 -26.497 0.449 1.00 0.00 N ATOM 844 CA HIS A 54 -8.147 -25.363 -0.326 1.00 0.00 C ATOM 845 C HIS A 54 -6.637 -25.459 -0.527 1.00 0.00 C ATOM 846 O HIS A 54 -6.154 -25.483 -1.658 1.00 0.00 O ATOM 847 CB HIS A 54 -8.497 -24.049 0.374 1.00 0.00 C ATOM 848 CG HIS A 54 -7.534 -22.940 0.083 1.00 0.00 C ATOM 849 ND1 HIS A 54 -7.817 -21.905 -0.783 1.00 0.00 N ATOM 850 CD2 HIS A 54 -6.285 -22.707 0.551 1.00 0.00 C ATOM 851 CE1 HIS A 54 -6.783 -21.084 -0.837 1.00 0.00 C ATOM 852 NE2 HIS A 54 -5.841 -21.548 -0.036 1.00 0.00 N ATOM 0 H HIS A 54 -9.272 -26.246 1.209 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.629 -25.385 -1.303 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.497 -23.740 0.070 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -8.529 -24.218 1.450 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -8.688 -21.791 -1.301 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -5.740 -23.319 1.255 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.719 -20.187 -1.434 1.00 0.00 H new ATOM 860 N GLU A 55 -5.900 -25.512 0.578 1.00 0.00 N ATOM 861 CA GLU A 55 -4.446 -25.603 0.521 1.00 0.00 C ATOM 862 C GLU A 55 -3.999 -26.417 -0.690 1.00 0.00 C ATOM 863 O GLU A 55 -3.069 -26.034 -1.400 1.00 0.00 O ATOM 864 CB GLU A 55 -3.901 -26.235 1.803 1.00 0.00 C ATOM 865 CG GLU A 55 -3.606 -25.227 2.901 1.00 0.00 C ATOM 866 CD GLU A 55 -2.658 -25.770 3.952 1.00 0.00 C ATOM 867 OE1 GLU A 55 -1.773 -26.574 3.593 1.00 0.00 O ATOM 868 OE2 GLU A 55 -2.801 -25.391 5.134 1.00 0.00 O ATOM 0 H GLU A 55 -6.285 -25.494 1.522 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.048 -24.593 0.425 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.622 -26.963 2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.988 -26.782 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.176 -24.329 2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.540 -24.931 3.378 1.00 0.00 H new ATOM 875 N ALA A 56 -4.667 -27.543 -0.918 1.00 0.00 N ATOM 876 CA ALA A 56 -4.341 -28.411 -2.043 1.00 0.00 C ATOM 877 C ALA A 56 -5.048 -27.952 -3.314 1.00 0.00 C ATOM 878 O ALA A 56 -4.439 -27.878 -4.381 1.00 0.00 O ATOM 879 CB ALA A 56 -4.710 -29.852 -1.722 1.00 0.00 C ATOM 0 H ALA A 56 -5.438 -27.876 -0.338 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.266 -28.353 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.461 -30.489 -2.571 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.154 -30.183 -0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.779 -29.918 -1.520 1.00 0.00 H new ATOM 885 N ARG A 57 -6.335 -27.646 -3.192 1.00 0.00 N ATOM 886 CA ARG A 57 -7.125 -27.197 -4.332 1.00 0.00 C ATOM 887 C ARG A 57 -6.468 -25.998 -5.009 1.00 0.00 C ATOM 888 O ARG A 57 -6.097 -26.061 -6.181 1.00 0.00 O ATOM 889 CB ARG A 57 -8.542 -26.830 -3.885 1.00 0.00 C ATOM 890 CG ARG A 57 -9.568 -26.893 -5.004 1.00 0.00 C ATOM 891 CD ARG A 57 -10.058 -28.314 -5.232 1.00 0.00 C ATOM 892 NE ARG A 57 -10.775 -28.449 -6.497 1.00 0.00 N ATOM 893 CZ ARG A 57 -11.323 -29.586 -6.913 1.00 0.00 C ATOM 894 NH1 ARG A 57 -11.237 -30.679 -6.168 1.00 0.00 N ATOM 895 NH2 ARG A 57 -11.959 -29.629 -8.077 1.00 0.00 N ATOM 0 H ARG A 57 -6.853 -27.701 -2.315 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.178 -28.015 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.848 -27.504 -3.085 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.533 -25.823 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.414 -26.250 -4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -9.129 -26.507 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.208 -28.996 -5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.712 -28.608 -4.411 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.860 -27.626 -7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.749 -30.649 -5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.659 -31.550 -6.490 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.027 -28.789 -8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.380 -30.502 -8.396 1.00 0.00 H new ATOM 909 N ASN A 58 -6.328 -24.907 -4.264 1.00 0.00 N ATOM 910 CA ASN A 58 -5.716 -23.693 -4.794 1.00 0.00 C ATOM 911 C ASN A 58 -5.167 -22.824 -3.666 1.00 0.00 C ATOM 912 O ASN A 58 -5.570 -22.960 -2.510 1.00 0.00 O ATOM 913 CB ASN A 58 -6.735 -22.900 -5.614 1.00 0.00 C ATOM 914 CG ASN A 58 -6.777 -23.339 -7.065 1.00 0.00 C ATOM 915 OD1 ASN A 58 -5.790 -23.843 -7.601 1.00 0.00 O ATOM 916 ND2 ASN A 58 -7.923 -23.148 -7.708 1.00 0.00 N ATOM 0 H ASN A 58 -6.630 -24.838 -3.292 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.888 -23.985 -5.440 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.724 -23.019 -5.172 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.490 -21.839 -5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.011 -23.423 -8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.715 -22.727 -7.224 1.00 0.00 H new ATOM 923 N CYS A 59 -4.246 -21.930 -4.010 1.00 0.00 N ATOM 924 CA CYS A 59 -3.641 -21.038 -3.029 1.00 0.00 C ATOM 925 C CYS A 59 -2.860 -19.923 -3.717 1.00 0.00 C ATOM 926 O CYS A 59 -2.611 -19.977 -4.921 1.00 0.00 O ATOM 927 CB CYS A 59 -2.717 -21.823 -2.096 1.00 0.00 C ATOM 928 SG CYS A 59 -2.418 -21.014 -0.492 1.00 0.00 S ATOM 0 H CYS A 59 -3.902 -21.804 -4.962 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.441 -20.588 -2.442 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.149 -22.808 -1.919 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.761 -21.979 -2.596 1.00 0.00 H new ATOM 933 N MET A 60 -2.475 -18.913 -2.943 1.00 0.00 N ATOM 934 CA MET A 60 -1.721 -17.785 -3.477 1.00 0.00 C ATOM 935 C MET A 60 -0.243 -18.138 -3.619 1.00 0.00 C ATOM 936 O MET A 60 0.365 -18.685 -2.700 1.00 0.00 O ATOM 937 CB MET A 60 -1.880 -16.562 -2.571 1.00 0.00 C ATOM 938 CG MET A 60 -3.166 -15.790 -2.814 1.00 0.00 C ATOM 939 SD MET A 60 -3.587 -14.694 -1.445 1.00 0.00 S ATOM 940 CE MET A 60 -2.157 -13.615 -1.424 1.00 0.00 C ATOM 0 H MET A 60 -2.673 -18.853 -1.944 1.00 0.00 H new ATOM 0 HA MET A 60 -2.118 -17.550 -4.465 1.00 0.00 H new ATOM 0 HB2 MET A 60 -1.851 -16.885 -1.530 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.031 -15.895 -2.722 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.066 -15.203 -3.727 1.00 0.00 H new ATOM 0 HG3 MET A 60 -3.983 -16.494 -2.976 1.00 0.00 H new ATOM 0 HE1 MET A 60 -2.330 -12.795 -0.727 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.279 -14.180 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.990 -13.212 -2.423 1.00 0.00 H new ATOM 950 N ASN A 61 0.327 -17.822 -4.777 1.00 0.00 N ATOM 951 CA ASN A 61 1.733 -18.108 -5.040 1.00 0.00 C ATOM 952 C ASN A 61 2.482 -16.837 -5.430 1.00 0.00 C ATOM 953 O ASN A 61 3.557 -16.551 -4.902 1.00 0.00 O ATOM 954 CB ASN A 61 1.865 -19.152 -6.150 1.00 0.00 C ATOM 955 CG ASN A 61 1.148 -18.738 -7.421 1.00 0.00 C ATOM 956 OD1 ASN A 61 0.042 -18.200 -7.376 1.00 0.00 O ATOM 957 ND2 ASN A 61 1.777 -18.989 -8.563 1.00 0.00 N ATOM 0 H ASN A 61 -0.163 -17.368 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 61 2.175 -18.504 -4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.920 -19.315 -6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.461 -20.102 -5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.344 -18.734 -9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.693 -19.437 -8.553 1.00 0.00 H new ATOM 964 N ARG A 62 1.907 -16.079 -6.357 1.00 0.00 N ATOM 965 CA ARG A 62 2.520 -14.839 -6.819 1.00 0.00 C ATOM 966 C ARG A 62 2.658 -13.841 -5.673 1.00 0.00 C ATOM 967 O ARG A 62 1.696 -13.567 -4.956 1.00 0.00 O ATOM 968 CB ARG A 62 1.690 -14.224 -7.947 1.00 0.00 C ATOM 969 CG ARG A 62 1.690 -15.049 -9.223 1.00 0.00 C ATOM 970 CD ARG A 62 1.347 -14.199 -10.437 1.00 0.00 C ATOM 971 NE ARG A 62 1.246 -14.999 -11.654 1.00 0.00 N ATOM 972 CZ ARG A 62 2.289 -15.568 -12.249 1.00 0.00 C ATOM 973 NH1 ARG A 62 3.505 -15.426 -11.740 1.00 0.00 N ATOM 974 NH2 ARG A 62 2.116 -16.281 -13.354 1.00 0.00 N ATOM 0 H ARG A 62 1.017 -16.301 -6.803 1.00 0.00 H new ATOM 0 HA ARG A 62 3.515 -15.074 -7.196 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.663 -14.100 -7.605 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.075 -13.228 -8.168 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.670 -15.505 -9.362 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.970 -15.862 -9.132 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.403 -13.683 -10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.110 -13.432 -10.570 1.00 0.00 H new ATOM 0 HE ARG A 62 0.324 -15.128 -12.071 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.641 -14.879 -10.890 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.304 -15.864 -12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.182 -16.393 -13.748 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.917 -16.717 -13.810 1.00 0.00 H new ATOM 988 N SER A 63 3.862 -13.302 -5.506 1.00 0.00 N ATOM 989 CA SER A 63 4.128 -12.339 -4.445 1.00 0.00 C ATOM 990 C SER A 63 4.948 -11.165 -4.970 1.00 0.00 C ATOM 991 O SER A 63 6.129 -11.311 -5.283 1.00 0.00 O ATOM 992 CB SER A 63 4.865 -13.014 -3.287 1.00 0.00 C ATOM 993 OG SER A 63 4.839 -12.204 -2.124 1.00 0.00 O ATOM 0 H SER A 63 4.668 -13.516 -6.093 1.00 0.00 H new ATOM 0 HA SER A 63 3.172 -11.959 -4.085 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.405 -13.979 -3.072 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.898 -13.210 -3.574 1.00 0.00 H new ATOM 0 HG SER A 63 5.315 -12.659 -1.398 1.00 0.00 H new ATOM 999 N GLU A 64 4.313 -10.001 -5.063 1.00 0.00 N ATOM 1000 CA GLU A 64 4.984 -8.802 -5.551 1.00 0.00 C ATOM 1001 C GLU A 64 5.069 -7.742 -4.456 1.00 0.00 C ATOM 1002 O GLU A 64 4.077 -7.437 -3.795 1.00 0.00 O ATOM 1003 CB GLU A 64 4.246 -8.236 -6.766 1.00 0.00 C ATOM 1004 CG GLU A 64 2.867 -7.688 -6.440 1.00 0.00 C ATOM 1005 CD GLU A 64 1.929 -7.720 -7.632 1.00 0.00 C ATOM 1006 OE1 GLU A 64 1.930 -8.734 -8.361 1.00 0.00 O ATOM 1007 OE2 GLU A 64 1.195 -6.730 -7.835 1.00 0.00 O ATOM 0 H GLU A 64 3.335 -9.863 -4.807 1.00 0.00 H new ATOM 0 HA GLU A 64 5.996 -9.078 -5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.848 -7.442 -7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.148 -9.019 -7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.433 -8.268 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.963 -6.662 -6.085 1.00 0.00 H new ATOM 1014 N GLN A 65 6.262 -7.186 -4.271 1.00 0.00 N ATOM 1015 CA GLN A 65 6.478 -6.162 -3.255 1.00 0.00 C ATOM 1016 C GLN A 65 5.872 -4.831 -3.688 1.00 0.00 C ATOM 1017 O GLN A 65 6.435 -4.124 -4.523 1.00 0.00 O ATOM 1018 CB GLN A 65 7.973 -5.991 -2.982 1.00 0.00 C ATOM 1019 CG GLN A 65 8.275 -5.254 -1.688 1.00 0.00 C ATOM 1020 CD GLN A 65 9.620 -5.632 -1.101 1.00 0.00 C ATOM 1021 OE1 GLN A 65 10.255 -6.592 -1.540 1.00 0.00 O ATOM 1022 NE2 GLN A 65 10.064 -4.878 -0.102 1.00 0.00 N ATOM 0 H GLN A 65 7.093 -7.427 -4.811 1.00 0.00 H new ATOM 0 HA GLN A 65 5.984 -6.485 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.442 -6.974 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.426 -5.450 -3.813 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.252 -4.180 -1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.492 -5.469 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.506 -4.092 0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.963 -5.085 0.332 1.00 0.00 H new ATOM 1031 N VAL A 66 4.721 -4.495 -3.113 1.00 0.00 N ATOM 1032 CA VAL A 66 4.039 -3.248 -3.439 1.00 0.00 C ATOM 1033 C VAL A 66 4.395 -2.151 -2.442 1.00 0.00 C ATOM 1034 O VAL A 66 4.986 -2.416 -1.395 1.00 0.00 O ATOM 1035 CB VAL A 66 2.510 -3.433 -3.458 1.00 0.00 C ATOM 1036 CG1 VAL A 66 2.105 -4.417 -4.545 1.00 0.00 C ATOM 1037 CG2 VAL A 66 2.013 -3.895 -2.097 1.00 0.00 C ATOM 0 H VAL A 66 4.242 -5.069 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 66 4.374 -2.954 -4.434 1.00 0.00 H new ATOM 0 HB VAL A 66 2.047 -2.472 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.021 -4.535 -4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.428 -4.040 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.575 -5.382 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.931 -4.021 -2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.481 -4.846 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.270 -3.150 -1.344 1.00 0.00 H new ATOM 1047 N PHE A 67 4.031 -0.917 -2.773 1.00 0.00 N ATOM 1048 CA PHE A 67 4.312 0.222 -1.907 1.00 0.00 C ATOM 1049 C PHE A 67 3.018 0.884 -1.443 1.00 0.00 C ATOM 1050 O PHE A 67 2.019 0.897 -2.164 1.00 0.00 O ATOM 1051 CB PHE A 67 5.186 1.243 -2.639 1.00 0.00 C ATOM 1052 CG PHE A 67 6.529 0.702 -3.041 1.00 0.00 C ATOM 1053 CD1 PHE A 67 6.631 -0.287 -4.006 1.00 0.00 C ATOM 1054 CD2 PHE A 67 7.688 1.184 -2.455 1.00 0.00 C ATOM 1055 CE1 PHE A 67 7.865 -0.786 -4.379 1.00 0.00 C ATOM 1056 CE2 PHE A 67 8.924 0.689 -2.824 1.00 0.00 C ATOM 1057 CZ PHE A 67 9.013 -0.298 -3.786 1.00 0.00 C ATOM 0 H PHE A 67 3.540 -0.680 -3.635 1.00 0.00 H new ATOM 0 HA PHE A 67 4.848 -0.143 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.660 1.588 -3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.330 2.112 -1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.736 -0.672 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.625 1.955 -1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.931 -1.556 -5.133 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.820 1.074 -2.360 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.978 -0.687 -4.074 1.00 0.00 H new ATOM 1067 N THR A 68 3.043 1.435 -0.233 1.00 0.00 N ATOM 1068 CA THR A 68 1.873 2.097 0.330 1.00 0.00 C ATOM 1069 C THR A 68 2.106 3.597 0.473 1.00 0.00 C ATOM 1070 O THR A 68 3.124 4.028 1.015 1.00 0.00 O ATOM 1071 CB THR A 68 1.504 1.513 1.706 1.00 0.00 C ATOM 1072 OG1 THR A 68 1.211 0.116 1.583 1.00 0.00 O ATOM 1073 CG2 THR A 68 0.304 2.237 2.297 1.00 0.00 C ATOM 0 H THR A 68 3.861 1.436 0.376 1.00 0.00 H new ATOM 0 HA THR A 68 1.049 1.924 -0.362 1.00 0.00 H new ATOM 0 HB THR A 68 2.355 1.648 2.373 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.979 -0.248 2.463 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.062 1.807 3.269 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.540 3.294 2.417 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.551 2.129 1.630 1.00 0.00 H new ATOM 1081 N CYS A 69 1.157 4.388 -0.015 1.00 0.00 N ATOM 1082 CA CYS A 69 1.258 5.841 0.059 1.00 0.00 C ATOM 1083 C CYS A 69 1.399 6.303 1.506 1.00 0.00 C ATOM 1084 O CYS A 69 1.264 5.510 2.438 1.00 0.00 O ATOM 1085 CB CYS A 69 0.030 6.492 -0.579 1.00 0.00 C ATOM 1086 SG CYS A 69 0.284 8.224 -1.084 1.00 0.00 S ATOM 0 H CYS A 69 0.308 4.047 -0.467 1.00 0.00 H new ATOM 0 HA CYS A 69 2.149 6.147 -0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -0.264 5.910 -1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -0.799 6.449 0.127 1.00 0.00 H new ATOM 1091 N SER A 70 1.670 7.592 1.686 1.00 0.00 N ATOM 1092 CA SER A 70 1.832 8.160 3.019 1.00 0.00 C ATOM 1093 C SER A 70 0.684 9.110 3.348 1.00 0.00 C ATOM 1094 O SER A 70 0.629 9.682 4.437 1.00 0.00 O ATOM 1095 CB SER A 70 3.167 8.899 3.123 1.00 0.00 C ATOM 1096 OG SER A 70 3.264 9.609 4.345 1.00 0.00 O ATOM 0 H SER A 70 1.782 8.262 0.925 1.00 0.00 H new ATOM 0 HA SER A 70 1.821 7.342 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 70 3.988 8.186 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.269 9.592 2.288 1.00 0.00 H new ATOM 0 HG SER A 70 2.413 9.549 4.827 1.00 0.00 H new ATOM 1102 N VAL A 71 -0.230 9.275 2.397 1.00 0.00 N ATOM 1103 CA VAL A 71 -1.378 10.155 2.585 1.00 0.00 C ATOM 1104 C VAL A 71 -2.686 9.377 2.501 1.00 0.00 C ATOM 1105 O VAL A 71 -3.547 9.492 3.374 1.00 0.00 O ATOM 1106 CB VAL A 71 -1.396 11.284 1.537 1.00 0.00 C ATOM 1107 CG1 VAL A 71 -2.637 12.147 1.704 1.00 0.00 C ATOM 1108 CG2 VAL A 71 -0.133 12.125 1.639 1.00 0.00 C ATOM 0 H VAL A 71 -0.198 8.811 1.489 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.283 10.593 3.579 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.426 10.835 0.544 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.633 12.939 0.955 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.528 11.532 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.641 12.589 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.162 12.918 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.069 12.566 2.634 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.739 11.495 1.465 1.00 0.00 H new ATOM 1118 N CYS A 72 -2.830 8.584 1.444 1.00 0.00 N ATOM 1119 CA CYS A 72 -4.033 7.785 1.245 1.00 0.00 C ATOM 1120 C CYS A 72 -3.729 6.297 1.391 1.00 0.00 C ATOM 1121 O CYS A 72 -4.631 5.462 1.336 1.00 0.00 O ATOM 1122 CB CYS A 72 -4.631 8.062 -0.136 1.00 0.00 C ATOM 1123 SG CYS A 72 -3.508 7.690 -1.521 1.00 0.00 S ATOM 0 H CYS A 72 -2.128 8.478 0.712 1.00 0.00 H new ATOM 0 HA CYS A 72 -4.756 8.066 2.010 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -5.540 7.472 -0.251 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -4.922 9.111 -0.190 1.00 0.00 H new ATOM 1128 N GLN A 73 -2.453 5.975 1.577 1.00 0.00 N ATOM 1129 CA GLN A 73 -2.030 4.588 1.730 1.00 0.00 C ATOM 1130 C GLN A 73 -2.353 3.779 0.478 1.00 0.00 C ATOM 1131 O GLN A 73 -2.667 2.592 0.558 1.00 0.00 O ATOM 1132 CB GLN A 73 -2.709 3.957 2.947 1.00 0.00 C ATOM 1133 CG GLN A 73 -2.591 4.794 4.211 1.00 0.00 C ATOM 1134 CD GLN A 73 -1.195 5.350 4.415 1.00 0.00 C ATOM 1135 OE1 GLN A 73 -0.239 4.600 4.617 1.00 0.00 O ATOM 1136 NE2 GLN A 73 -1.070 6.671 4.362 1.00 0.00 N ATOM 0 H GLN A 73 -1.695 6.655 1.625 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.950 4.578 1.879 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.764 3.799 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.271 2.975 3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.303 5.618 4.164 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.865 4.185 5.072 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.889 7.254 4.192 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.155 7.102 4.491 1.00 0.00 H new ATOM 1145 N GLU A 74 -2.273 4.431 -0.678 1.00 0.00 N ATOM 1146 CA GLU A 74 -2.558 3.771 -1.947 1.00 0.00 C ATOM 1147 C GLU A 74 -1.665 2.549 -2.138 1.00 0.00 C ATOM 1148 O GLU A 74 -0.888 2.188 -1.252 1.00 0.00 O ATOM 1149 CB GLU A 74 -2.361 4.746 -3.110 1.00 0.00 C ATOM 1150 CG GLU A 74 -3.338 4.535 -4.254 1.00 0.00 C ATOM 1151 CD GLU A 74 -4.722 4.142 -3.774 1.00 0.00 C ATOM 1152 OE1 GLU A 74 -5.291 4.878 -2.941 1.00 0.00 O ATOM 1153 OE2 GLU A 74 -5.236 3.100 -4.231 1.00 0.00 O ATOM 0 H GLU A 74 -2.014 5.414 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.597 3.441 -1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -2.464 5.766 -2.739 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.344 4.645 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.408 5.451 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.954 3.760 -4.917 1.00 0.00 H new ATOM 1160 N THR A 75 -1.781 1.913 -3.300 1.00 0.00 N ATOM 1161 CA THR A 75 -0.986 0.731 -3.607 1.00 0.00 C ATOM 1162 C THR A 75 -0.238 0.898 -4.924 1.00 0.00 C ATOM 1163 O THR A 75 -0.836 1.208 -5.955 1.00 0.00 O ATOM 1164 CB THR A 75 -1.865 -0.532 -3.686 1.00 0.00 C ATOM 1165 OG1 THR A 75 -3.015 -0.278 -4.501 1.00 0.00 O ATOM 1166 CG2 THR A 75 -2.308 -0.971 -2.298 1.00 0.00 C ATOM 0 H THR A 75 -2.418 2.197 -4.044 1.00 0.00 H new ATOM 0 HA THR A 75 -0.267 0.615 -2.796 1.00 0.00 H new ATOM 0 HB THR A 75 -1.274 -1.332 -4.131 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.743 0.203 -5.310 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.927 -1.864 -2.379 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.431 -1.191 -1.689 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.883 -0.172 -1.830 1.00 0.00 H new ATOM 1174 N PHE A 76 1.074 0.691 -4.884 1.00 0.00 N ATOM 1175 CA PHE A 76 1.905 0.819 -6.076 1.00 0.00 C ATOM 1176 C PHE A 76 2.856 -0.368 -6.207 1.00 0.00 C ATOM 1177 O PHE A 76 3.751 -0.553 -5.383 1.00 0.00 O ATOM 1178 CB PHE A 76 2.704 2.123 -6.029 1.00 0.00 C ATOM 1179 CG PHE A 76 1.891 3.308 -5.589 1.00 0.00 C ATOM 1180 CD1 PHE A 76 1.695 3.569 -4.243 1.00 0.00 C ATOM 1181 CD2 PHE A 76 1.324 4.160 -6.523 1.00 0.00 C ATOM 1182 CE1 PHE A 76 0.948 4.658 -3.835 1.00 0.00 C ATOM 1183 CE2 PHE A 76 0.577 5.251 -6.121 1.00 0.00 C ATOM 1184 CZ PHE A 76 0.388 5.500 -4.775 1.00 0.00 C ATOM 0 H PHE A 76 1.585 0.434 -4.039 1.00 0.00 H new ATOM 0 HA PHE A 76 1.248 0.834 -6.946 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.548 1.999 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.117 2.323 -7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.131 2.914 -3.503 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.467 3.969 -7.576 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.803 4.850 -2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.141 5.909 -6.858 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.197 6.351 -4.459 1.00 0.00 H new ATOM 1194 N ARG A 77 2.653 -1.168 -7.248 1.00 0.00 N ATOM 1195 CA ARG A 77 3.489 -2.338 -7.486 1.00 0.00 C ATOM 1196 C ARG A 77 4.969 -1.975 -7.401 1.00 0.00 C ATOM 1197 O ARG A 77 5.792 -2.781 -6.967 1.00 0.00 O ATOM 1198 CB ARG A 77 3.180 -2.942 -8.857 1.00 0.00 C ATOM 1199 CG ARG A 77 3.464 -2.001 -10.016 1.00 0.00 C ATOM 1200 CD ARG A 77 2.253 -1.142 -10.346 1.00 0.00 C ATOM 1201 NE ARG A 77 2.346 -0.555 -11.681 1.00 0.00 N ATOM 1202 CZ ARG A 77 1.758 -1.073 -12.753 1.00 0.00 C ATOM 1203 NH1 ARG A 77 1.038 -2.181 -12.649 1.00 0.00 N ATOM 1204 NH2 ARG A 77 1.889 -0.481 -13.934 1.00 0.00 N ATOM 0 H ARG A 77 1.917 -1.027 -7.940 1.00 0.00 H new ATOM 0 HA ARG A 77 3.268 -3.074 -6.714 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.769 -3.850 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.131 -3.235 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.309 -1.360 -9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.751 -2.580 -10.894 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.349 -1.748 -10.278 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.160 -0.347 -9.606 1.00 0.00 H new ATOM 0 HE ARG A 77 2.892 0.299 -11.796 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.934 -2.639 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.588 -2.576 -13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.442 0.372 -14.018 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.437 -0.879 -14.757 1.00 0.00 H new ATOM 1218 N ARG A 78 5.299 -0.757 -7.819 1.00 0.00 N ATOM 1219 CA ARG A 78 6.679 -0.288 -7.792 1.00 0.00 C ATOM 1220 C ARG A 78 6.796 1.011 -7.000 1.00 0.00 C ATOM 1221 O ARG A 78 5.790 1.630 -6.653 1.00 0.00 O ATOM 1222 CB ARG A 78 7.197 -0.078 -9.216 1.00 0.00 C ATOM 1223 CG ARG A 78 7.107 -1.321 -10.086 1.00 0.00 C ATOM 1224 CD ARG A 78 7.012 -0.964 -11.561 1.00 0.00 C ATOM 1225 NE ARG A 78 7.545 -2.021 -12.416 1.00 0.00 N ATOM 1226 CZ ARG A 78 7.597 -1.938 -13.741 1.00 0.00 C ATOM 1227 NH1 ARG A 78 7.152 -0.852 -14.359 1.00 0.00 N ATOM 1228 NH2 ARG A 78 8.096 -2.942 -14.451 1.00 0.00 N ATOM 0 H ARG A 78 4.630 -0.078 -8.180 1.00 0.00 H new ATOM 0 HA ARG A 78 7.285 -1.049 -7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.629 0.726 -9.685 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.236 0.249 -9.171 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.983 -1.948 -9.918 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.235 -1.907 -9.796 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.970 -0.777 -11.822 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.558 -0.039 -11.746 1.00 0.00 H new ATOM 0 HE ARG A 78 7.897 -2.869 -11.972 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.769 -0.078 -13.817 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.193 -0.791 -15.376 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.440 -3.778 -13.980 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.135 -2.877 -15.468 1.00 0.00 H new ATOM 1242 N ARG A 79 8.030 1.417 -6.718 1.00 0.00 N ATOM 1243 CA ARG A 79 8.278 2.641 -5.966 1.00 0.00 C ATOM 1244 C ARG A 79 8.050 3.871 -6.839 1.00 0.00 C ATOM 1245 O ARG A 79 7.189 4.701 -6.548 1.00 0.00 O ATOM 1246 CB ARG A 79 9.706 2.648 -5.419 1.00 0.00 C ATOM 1247 CG ARG A 79 10.100 3.960 -4.761 1.00 0.00 C ATOM 1248 CD ARG A 79 9.793 3.951 -3.272 1.00 0.00 C ATOM 1249 NE ARG A 79 10.937 3.506 -2.480 1.00 0.00 N ATOM 1250 CZ ARG A 79 11.890 4.321 -2.044 1.00 0.00 C ATOM 1251 NH1 ARG A 79 11.837 5.617 -2.321 1.00 0.00 N ATOM 1252 NH2 ARG A 79 12.900 3.841 -1.328 1.00 0.00 N ATOM 0 H ARG A 79 8.873 0.916 -6.999 1.00 0.00 H new ATOM 0 HA ARG A 79 7.577 2.674 -5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.812 1.841 -4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.399 2.437 -6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.164 4.139 -4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.567 4.782 -5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.501 4.952 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.943 3.296 -3.081 1.00 0.00 H new ATOM 0 HE ARG A 79 11.007 2.515 -2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.063 5.990 -2.870 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.571 6.241 -1.985 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.944 2.845 -1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.632 4.468 -0.994 1.00 0.00 H new ATOM 1266 N MET A 80 8.828 3.982 -7.911 1.00 0.00 N ATOM 1267 CA MET A 80 8.711 5.111 -8.827 1.00 0.00 C ATOM 1268 C MET A 80 7.256 5.549 -8.966 1.00 0.00 C ATOM 1269 O MET A 80 6.943 6.734 -8.861 1.00 0.00 O ATOM 1270 CB MET A 80 9.279 4.743 -10.199 1.00 0.00 C ATOM 1271 CG MET A 80 9.117 5.841 -11.238 1.00 0.00 C ATOM 1272 SD MET A 80 10.465 7.038 -11.199 1.00 0.00 S ATOM 1273 CE MET A 80 9.851 8.201 -9.983 1.00 0.00 C ATOM 0 H MET A 80 9.546 3.304 -8.167 1.00 0.00 H new ATOM 0 HA MET A 80 9.284 5.942 -8.416 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.338 4.507 -10.093 1.00 0.00 H new ATOM 0 HB3 MET A 80 8.785 3.839 -10.557 1.00 0.00 H new ATOM 0 HG2 MET A 80 9.063 5.392 -12.230 1.00 0.00 H new ATOM 0 HG3 MET A 80 8.172 6.358 -11.070 1.00 0.00 H new ATOM 0 HE1 MET A 80 10.099 9.216 -10.293 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.769 8.102 -9.899 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.311 7.994 -9.017 1.00 0.00 H new ATOM 1283 N GLU A 81 6.373 4.584 -9.203 1.00 0.00 N ATOM 1284 CA GLU A 81 4.952 4.872 -9.358 1.00 0.00 C ATOM 1285 C GLU A 81 4.453 5.773 -8.231 1.00 0.00 C ATOM 1286 O GLU A 81 3.835 6.810 -8.477 1.00 0.00 O ATOM 1287 CB GLU A 81 4.145 3.573 -9.381 1.00 0.00 C ATOM 1288 CG GLU A 81 4.508 2.652 -10.534 1.00 0.00 C ATOM 1289 CD GLU A 81 4.076 3.202 -11.879 1.00 0.00 C ATOM 1290 OE1 GLU A 81 4.654 4.220 -12.316 1.00 0.00 O ATOM 1291 OE2 GLU A 81 3.161 2.617 -12.495 1.00 0.00 O ATOM 0 H GLU A 81 6.616 3.597 -9.292 1.00 0.00 H new ATOM 0 HA GLU A 81 4.815 5.394 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.299 3.043 -8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.084 3.815 -9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.586 2.492 -10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.042 1.679 -10.377 1.00 0.00 H new ATOM 1298 N LEU A 82 4.725 5.369 -6.995 1.00 0.00 N ATOM 1299 CA LEU A 82 4.305 6.138 -5.829 1.00 0.00 C ATOM 1300 C LEU A 82 4.790 7.581 -5.924 1.00 0.00 C ATOM 1301 O LEU A 82 4.069 8.514 -5.570 1.00 0.00 O ATOM 1302 CB LEU A 82 4.837 5.493 -4.548 1.00 0.00 C ATOM 1303 CG LEU A 82 4.681 6.314 -3.268 1.00 0.00 C ATOM 1304 CD1 LEU A 82 3.211 6.563 -2.969 1.00 0.00 C ATOM 1305 CD2 LEU A 82 5.352 5.610 -2.098 1.00 0.00 C ATOM 0 H LEU A 82 5.235 4.513 -6.775 1.00 0.00 H new ATOM 0 HA LEU A 82 3.215 6.141 -5.801 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.329 4.539 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.895 5.273 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 82 5.169 7.277 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.120 7.149 -2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.759 7.110 -3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.699 5.609 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.231 6.209 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.893 4.633 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.414 5.484 -2.310 1.00 0.00 H new ATOM 1317 N ARG A 83 6.016 7.757 -6.407 1.00 0.00 N ATOM 1318 CA ARG A 83 6.597 9.086 -6.550 1.00 0.00 C ATOM 1319 C ARG A 83 5.769 9.942 -7.503 1.00 0.00 C ATOM 1320 O ARG A 83 5.521 11.120 -7.241 1.00 0.00 O ATOM 1321 CB ARG A 83 8.037 8.984 -7.058 1.00 0.00 C ATOM 1322 CG ARG A 83 8.920 8.082 -6.212 1.00 0.00 C ATOM 1323 CD ARG A 83 9.200 8.696 -4.849 1.00 0.00 C ATOM 1324 NE ARG A 83 10.397 9.533 -4.862 1.00 0.00 N ATOM 1325 CZ ARG A 83 11.632 9.049 -4.801 1.00 0.00 C ATOM 1326 NH1 ARG A 83 11.832 7.741 -4.723 1.00 0.00 N ATOM 1327 NH2 ARG A 83 12.671 9.875 -4.817 1.00 0.00 N ATOM 0 H ARG A 83 6.626 6.996 -6.706 1.00 0.00 H new ATOM 0 HA ARG A 83 6.598 9.562 -5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.026 8.610 -8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.474 9.982 -7.087 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.436 7.114 -6.084 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.861 7.902 -6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.343 9.293 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.320 7.902 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 83 10.278 10.544 -4.921 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.036 7.103 -4.710 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.782 7.372 -4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 83 12.521 10.882 -4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.619 9.503 -4.770 1.00 0.00 H new ATOM 1341 N LEU A 84 5.344 9.343 -8.610 1.00 0.00 N ATOM 1342 CA LEU A 84 4.544 10.051 -9.604 1.00 0.00 C ATOM 1343 C LEU A 84 3.120 10.267 -9.102 1.00 0.00 C ATOM 1344 O LEU A 84 2.357 11.041 -9.682 1.00 0.00 O ATOM 1345 CB LEU A 84 4.520 9.269 -10.919 1.00 0.00 C ATOM 1346 CG LEU A 84 5.822 8.568 -11.307 1.00 0.00 C ATOM 1347 CD1 LEU A 84 5.658 7.828 -12.625 1.00 0.00 C ATOM 1348 CD2 LEU A 84 6.962 9.573 -11.396 1.00 0.00 C ATOM 0 H LEU A 84 5.540 8.369 -8.842 1.00 0.00 H new ATOM 0 HA LEU A 84 5.001 11.025 -9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.731 8.519 -10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.247 9.955 -11.721 1.00 0.00 H new ATOM 0 HG LEU A 84 6.065 7.840 -10.533 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.595 7.335 -12.885 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.870 7.081 -12.527 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.391 8.536 -13.409 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.881 9.057 -11.673 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.726 10.325 -12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.096 10.058 -10.429 1.00 0.00 H new ATOM 1360 N HIS A 85 2.769 9.581 -8.019 1.00 0.00 N ATOM 1361 CA HIS A 85 1.437 9.701 -7.437 1.00 0.00 C ATOM 1362 C HIS A 85 1.414 10.768 -6.346 1.00 0.00 C ATOM 1363 O HIS A 85 0.486 11.571 -6.270 1.00 0.00 O ATOM 1364 CB HIS A 85 0.986 8.358 -6.862 1.00 0.00 C ATOM 1365 CG HIS A 85 -0.128 8.475 -5.868 1.00 0.00 C ATOM 1366 ND1 HIS A 85 -1.459 8.371 -6.213 1.00 0.00 N ATOM 1367 CD2 HIS A 85 -0.103 8.688 -4.531 1.00 0.00 C ATOM 1368 CE1 HIS A 85 -2.205 8.517 -5.132 1.00 0.00 C ATOM 1369 NE2 HIS A 85 -1.406 8.709 -4.098 1.00 0.00 N ATOM 0 H HIS A 85 3.388 8.937 -7.527 1.00 0.00 H new ATOM 0 HA HIS A 85 0.748 10.000 -8.227 1.00 0.00 H new ATOM 0 HB2 HIS A 85 0.666 7.711 -7.679 1.00 0.00 H new ATOM 0 HB3 HIS A 85 1.837 7.872 -6.385 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -1.813 8.207 -7.156 1.00 0.00 H new ATOM 0 HD2 HIS A 85 0.778 8.817 -3.919 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -3.284 8.485 -5.100 1.00 0.00 H new ATOM 1377 N MET A 86 2.443 10.768 -5.504 1.00 0.00 N ATOM 1378 CA MET A 86 2.541 11.737 -4.419 1.00 0.00 C ATOM 1379 C MET A 86 2.291 13.152 -4.929 1.00 0.00 C ATOM 1380 O MET A 86 1.735 13.990 -4.218 1.00 0.00 O ATOM 1381 CB MET A 86 3.918 11.656 -3.757 1.00 0.00 C ATOM 1382 CG MET A 86 4.221 10.296 -3.150 1.00 0.00 C ATOM 1383 SD MET A 86 3.884 10.235 -1.380 1.00 0.00 S ATOM 1384 CE MET A 86 2.155 10.702 -1.348 1.00 0.00 C ATOM 0 H MET A 86 3.220 10.108 -5.552 1.00 0.00 H new ATOM 0 HA MET A 86 1.776 11.496 -3.680 1.00 0.00 H new ATOM 0 HB2 MET A 86 4.682 11.893 -4.497 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.983 12.415 -2.978 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.625 9.536 -3.656 1.00 0.00 H new ATOM 0 HG3 MET A 86 5.268 10.049 -3.325 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.721 10.425 -0.387 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.066 11.779 -1.489 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.624 10.187 -2.148 1.00 0.00 H new ATOM 1394 N VAL A 87 2.705 13.413 -6.164 1.00 0.00 N ATOM 1395 CA VAL A 87 2.525 14.727 -6.770 1.00 0.00 C ATOM 1396 C VAL A 87 1.091 15.216 -6.605 1.00 0.00 C ATOM 1397 O VAL A 87 0.846 16.413 -6.448 1.00 0.00 O ATOM 1398 CB VAL A 87 2.881 14.709 -8.268 1.00 0.00 C ATOM 1399 CG1 VAL A 87 4.248 14.078 -8.485 1.00 0.00 C ATOM 1400 CG2 VAL A 87 1.813 13.970 -9.060 1.00 0.00 C ATOM 0 H VAL A 87 3.168 12.731 -6.765 1.00 0.00 H new ATOM 0 HA VAL A 87 3.200 15.409 -6.253 1.00 0.00 H new ATOM 0 HB VAL A 87 2.921 15.738 -8.626 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.482 14.074 -9.550 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.003 14.653 -7.949 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.239 13.054 -8.112 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.081 13.967 -10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.739 12.943 -8.701 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.853 14.470 -8.930 1.00 0.00 H new ATOM 1410 N SER A 88 0.145 14.283 -6.643 1.00 0.00 N ATOM 1411 CA SER A 88 -1.267 14.619 -6.501 1.00 0.00 C ATOM 1412 C SER A 88 -1.557 15.169 -5.108 1.00 0.00 C ATOM 1413 O SER A 88 -2.474 15.970 -4.922 1.00 0.00 O ATOM 1414 CB SER A 88 -2.135 13.388 -6.767 1.00 0.00 C ATOM 1415 OG SER A 88 -2.142 12.517 -5.649 1.00 0.00 O ATOM 0 H SER A 88 0.331 13.288 -6.771 1.00 0.00 H new ATOM 0 HA SER A 88 -1.507 15.389 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.154 13.700 -6.995 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.761 12.858 -7.643 1.00 0.00 H new ATOM 0 HG SER A 88 -1.289 12.037 -5.603 1.00 0.00 H new ATOM 1421 N HIS A 89 -0.769 14.732 -4.130 1.00 0.00 N ATOM 1422 CA HIS A 89 -0.940 15.180 -2.753 1.00 0.00 C ATOM 1423 C HIS A 89 -0.229 16.510 -2.521 1.00 0.00 C ATOM 1424 O HIS A 89 -0.835 17.481 -2.069 1.00 0.00 O ATOM 1425 CB HIS A 89 -0.407 14.127 -1.781 1.00 0.00 C ATOM 1426 CG HIS A 89 -1.296 12.929 -1.649 1.00 0.00 C ATOM 1427 ND1 HIS A 89 -2.637 13.018 -1.341 1.00 0.00 N ATOM 1428 CD2 HIS A 89 -1.030 11.609 -1.785 1.00 0.00 C ATOM 1429 CE1 HIS A 89 -3.157 11.805 -1.293 1.00 0.00 C ATOM 1430 NE2 HIS A 89 -2.202 10.932 -1.559 1.00 0.00 N ATOM 0 H HIS A 89 -0.006 14.068 -4.266 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.006 15.322 -2.574 1.00 0.00 H new ATOM 0 HB2 HIS A 89 0.579 13.803 -2.114 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -0.277 14.583 -0.799 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -3.148 13.885 -1.176 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -0.073 11.170 -2.026 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.187 11.567 -1.074 1.00 0.00 H new ATOM 1438 N THR A 90 1.063 16.547 -2.834 1.00 0.00 N ATOM 1439 CA THR A 90 1.858 17.755 -2.658 1.00 0.00 C ATOM 1440 C THR A 90 1.400 18.857 -3.607 1.00 0.00 C ATOM 1441 O THR A 90 1.316 20.023 -3.225 1.00 0.00 O ATOM 1442 CB THR A 90 3.356 17.482 -2.892 1.00 0.00 C ATOM 1443 OG1 THR A 90 4.100 18.699 -2.775 1.00 0.00 O ATOM 1444 CG2 THR A 90 3.586 16.870 -4.266 1.00 0.00 C ATOM 0 H THR A 90 1.581 15.753 -3.211 1.00 0.00 H new ATOM 0 HA THR A 90 1.713 18.081 -1.628 1.00 0.00 H new ATOM 0 HB THR A 90 3.697 16.775 -2.135 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.051 18.516 -2.924 1.00 0.00 H new ATOM 0 HG21 THR A 90 4.651 16.686 -4.409 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.042 15.928 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.230 17.557 -5.034 1.00 0.00 H new ATOM 1452 N GLY A 91 1.105 18.479 -4.847 1.00 0.00 N ATOM 1453 CA GLY A 91 0.658 19.447 -5.832 1.00 0.00 C ATOM 1454 C GLY A 91 1.409 19.329 -7.143 1.00 0.00 C ATOM 1455 O GLY A 91 0.810 19.397 -8.216 1.00 0.00 O ATOM 0 H GLY A 91 1.168 17.519 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.408 19.310 -6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.786 20.453 -5.433 1.00 0.00 H new ATOM 1459 N GLU A 92 2.724 19.153 -7.057 1.00 0.00 N ATOM 1460 CA GLU A 92 3.557 19.028 -8.248 1.00 0.00 C ATOM 1461 C GLU A 92 4.991 18.664 -7.873 1.00 0.00 C ATOM 1462 O GLU A 92 5.478 19.037 -6.806 1.00 0.00 O ATOM 1463 CB GLU A 92 3.542 20.332 -9.047 1.00 0.00 C ATOM 1464 CG GLU A 92 4.377 21.438 -8.423 1.00 0.00 C ATOM 1465 CD GLU A 92 3.630 22.193 -7.341 1.00 0.00 C ATOM 1466 OE1 GLU A 92 2.954 23.189 -7.672 1.00 0.00 O ATOM 1467 OE2 GLU A 92 3.721 21.788 -6.163 1.00 0.00 O ATOM 0 H GLU A 92 3.235 19.094 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 92 3.147 18.228 -8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.909 20.135 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.513 20.677 -9.145 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.285 21.008 -8.000 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.687 22.136 -9.200 1.00 0.00 H new ATOM 1474 N MET A 93 5.660 17.934 -8.758 1.00 0.00 N ATOM 1475 CA MET A 93 7.038 17.520 -8.521 1.00 0.00 C ATOM 1476 C MET A 93 7.932 18.729 -8.263 1.00 0.00 C ATOM 1477 O MET A 93 7.664 19.839 -8.724 1.00 0.00 O ATOM 1478 CB MET A 93 7.568 16.725 -9.716 1.00 0.00 C ATOM 1479 CG MET A 93 6.636 15.613 -10.167 1.00 0.00 C ATOM 1480 SD MET A 93 7.433 14.453 -11.295 1.00 0.00 S ATOM 1481 CE MET A 93 7.483 12.977 -10.282 1.00 0.00 C ATOM 0 H MET A 93 5.271 17.617 -9.646 1.00 0.00 H new ATOM 0 HA MET A 93 7.052 16.884 -7.636 1.00 0.00 H new ATOM 0 HB2 MET A 93 7.737 17.407 -10.549 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.535 16.294 -9.456 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.272 15.072 -9.293 1.00 0.00 H new ATOM 0 HG3 MET A 93 5.766 16.050 -10.657 1.00 0.00 H new ATOM 0 HE1 MET A 93 8.503 12.594 -10.248 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.152 13.218 -9.272 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.825 12.220 -10.709 1.00 0.00 H new ATOM 1491 N PRO A 94 9.020 18.512 -7.508 1.00 0.00 N ATOM 1492 CA PRO A 94 9.974 19.573 -7.172 1.00 0.00 C ATOM 1493 C PRO A 94 10.784 20.028 -8.382 1.00 0.00 C ATOM 1494 O PRO A 94 10.905 21.224 -8.645 1.00 0.00 O ATOM 1495 CB PRO A 94 10.887 18.913 -6.136 1.00 0.00 C ATOM 1496 CG PRO A 94 10.800 17.454 -6.427 1.00 0.00 C ATOM 1497 CD PRO A 94 9.401 17.215 -6.925 1.00 0.00 C ATOM 0 HA PRO A 94 9.474 20.471 -6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 94 11.912 19.274 -6.225 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.558 19.134 -5.121 1.00 0.00 H new ATOM 0 HG2 PRO A 94 11.536 17.161 -7.175 1.00 0.00 H new ATOM 0 HG3 PRO A 94 11.002 16.865 -5.533 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.369 16.416 -7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.730 16.926 -6.116 1.00 0.00 H new ATOM 1505 N TYR A 95 11.336 19.067 -9.114 1.00 0.00 N ATOM 1506 CA TYR A 95 12.136 19.369 -10.295 1.00 0.00 C ATOM 1507 C TYR A 95 11.264 19.415 -11.546 1.00 0.00 C ATOM 1508 O TYR A 95 10.240 18.737 -11.630 1.00 0.00 O ATOM 1509 CB TYR A 95 13.242 18.328 -10.468 1.00 0.00 C ATOM 1510 CG TYR A 95 14.172 18.229 -9.280 1.00 0.00 C ATOM 1511 CD1 TYR A 95 15.250 19.095 -9.143 1.00 0.00 C ATOM 1512 CD2 TYR A 95 13.973 17.270 -8.294 1.00 0.00 C ATOM 1513 CE1 TYR A 95 16.103 19.008 -8.060 1.00 0.00 C ATOM 1514 CE2 TYR A 95 14.820 17.177 -7.207 1.00 0.00 C ATOM 1515 CZ TYR A 95 15.883 18.048 -7.094 1.00 0.00 C ATOM 1516 OH TYR A 95 16.730 17.958 -6.013 1.00 0.00 O ATOM 0 H TYR A 95 11.244 18.072 -8.910 1.00 0.00 H new ATOM 0 HA TYR A 95 12.590 20.350 -10.154 1.00 0.00 H new ATOM 0 HB2 TYR A 95 12.787 17.353 -10.645 1.00 0.00 H new ATOM 0 HB3 TYR A 95 13.825 18.574 -11.356 1.00 0.00 H new ATOM 0 HD1 TYR A 95 15.424 19.849 -9.896 1.00 0.00 H new ATOM 0 HD2 TYR A 95 13.142 16.586 -8.379 1.00 0.00 H new ATOM 0 HE1 TYR A 95 16.937 19.688 -7.970 1.00 0.00 H new ATOM 0 HE2 TYR A 95 14.651 16.426 -6.450 1.00 0.00 H new ATOM 0 HH TYR A 95 16.435 17.231 -5.426 1.00 0.00 H new ATOM 1526 N LYS A 96 11.679 20.219 -12.520 1.00 0.00 N ATOM 1527 CA LYS A 96 10.940 20.353 -13.769 1.00 0.00 C ATOM 1528 C LYS A 96 11.864 20.779 -14.905 1.00 0.00 C ATOM 1529 O LYS A 96 12.799 21.554 -14.701 1.00 0.00 O ATOM 1530 CB LYS A 96 9.808 21.371 -13.609 1.00 0.00 C ATOM 1531 CG LYS A 96 8.483 20.749 -13.204 1.00 0.00 C ATOM 1532 CD LYS A 96 7.501 21.800 -12.714 1.00 0.00 C ATOM 1533 CE LYS A 96 7.667 22.067 -11.226 1.00 0.00 C ATOM 1534 NZ LYS A 96 7.150 23.410 -10.842 1.00 0.00 N ATOM 0 H LYS A 96 12.524 20.788 -12.467 1.00 0.00 H new ATOM 0 HA LYS A 96 10.514 19.381 -14.016 1.00 0.00 H new ATOM 0 HB2 LYS A 96 10.097 22.109 -12.861 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.676 21.906 -14.550 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.055 20.217 -14.054 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.651 20.012 -12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.650 22.726 -13.270 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.482 21.469 -12.914 1.00 0.00 H new ATOM 0 HE2 LYS A 96 7.141 21.299 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.721 21.994 -10.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.281 23.554 -9.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.669 24.144 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.138 23.471 -11.073 1.00 0.00 H new ATOM 1548 N CYS A 97 11.597 20.269 -16.103 1.00 0.00 N ATOM 1549 CA CYS A 97 12.403 20.596 -17.272 1.00 0.00 C ATOM 1550 C CYS A 97 12.073 21.995 -17.786 1.00 0.00 C ATOM 1551 O CYS A 97 11.273 22.714 -17.188 1.00 0.00 O ATOM 1552 CB CYS A 97 12.175 19.567 -18.380 1.00 0.00 C ATOM 1553 SG CYS A 97 13.641 19.247 -19.412 1.00 0.00 S ATOM 0 H CYS A 97 10.827 19.626 -16.289 1.00 0.00 H new ATOM 0 HA CYS A 97 13.452 20.574 -16.976 1.00 0.00 H new ATOM 0 HB2 CYS A 97 11.850 18.629 -17.929 1.00 0.00 H new ATOM 0 HB3 CYS A 97 11.362 19.912 -19.019 1.00 0.00 H new ATOM 1558 N SER A 98 12.695 22.373 -18.898 1.00 0.00 N ATOM 1559 CA SER A 98 12.471 23.686 -19.491 1.00 0.00 C ATOM 1560 C SER A 98 11.980 23.556 -20.929 1.00 0.00 C ATOM 1561 O SER A 98 11.021 24.215 -21.332 1.00 0.00 O ATOM 1562 CB SER A 98 13.757 24.513 -19.452 1.00 0.00 C ATOM 1563 OG SER A 98 14.010 25.002 -18.146 1.00 0.00 O ATOM 0 H SER A 98 13.358 21.788 -19.407 1.00 0.00 H new ATOM 0 HA SER A 98 11.703 24.194 -18.908 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.596 23.902 -19.784 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.677 25.349 -20.147 1.00 0.00 H new ATOM 0 HG SER A 98 14.838 25.526 -18.148 1.00 0.00 H new ATOM 1569 N SER A 99 12.645 22.701 -21.700 1.00 0.00 N ATOM 1570 CA SER A 99 12.280 22.486 -23.095 1.00 0.00 C ATOM 1571 C SER A 99 10.925 21.792 -23.201 1.00 0.00 C ATOM 1572 O SER A 99 10.058 22.212 -23.969 1.00 0.00 O ATOM 1573 CB SER A 99 13.350 21.651 -23.801 1.00 0.00 C ATOM 1574 OG SER A 99 13.408 21.960 -25.183 1.00 0.00 O ATOM 0 H SER A 99 13.439 22.146 -21.382 1.00 0.00 H new ATOM 0 HA SER A 99 12.209 23.459 -23.581 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.321 21.836 -23.343 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.133 20.591 -23.671 1.00 0.00 H new ATOM 0 HG SER A 99 14.100 21.415 -25.611 1.00 0.00 H new ATOM 1580 N CYS A 100 10.750 20.728 -22.426 1.00 0.00 N ATOM 1581 CA CYS A 100 9.502 19.974 -22.431 1.00 0.00 C ATOM 1582 C CYS A 100 8.663 20.301 -21.199 1.00 0.00 C ATOM 1583 O CYS A 100 7.446 20.117 -21.197 1.00 0.00 O ATOM 1584 CB CYS A 100 9.790 18.472 -22.481 1.00 0.00 C ATOM 1585 SG CYS A 100 10.531 17.805 -20.957 1.00 0.00 S ATOM 0 H CYS A 100 11.457 20.368 -21.786 1.00 0.00 H new ATOM 0 HA CYS A 100 8.938 20.259 -23.319 1.00 0.00 H new ATOM 0 HB2 CYS A 100 8.859 17.941 -22.682 1.00 0.00 H new ATOM 0 HB3 CYS A 100 10.460 18.269 -23.317 1.00 0.00 H new ATOM 1590 N SER A 101 9.323 20.788 -20.153 1.00 0.00 N ATOM 1591 CA SER A 101 8.640 21.139 -18.914 1.00 0.00 C ATOM 1592 C SER A 101 8.235 19.885 -18.143 1.00 0.00 C ATOM 1593 O SER A 101 7.222 19.874 -17.445 1.00 0.00 O ATOM 1594 CB SER A 101 7.403 21.989 -19.211 1.00 0.00 C ATOM 1595 OG SER A 101 7.000 22.720 -18.066 1.00 0.00 O ATOM 0 H SER A 101 10.330 20.948 -20.139 1.00 0.00 H new ATOM 0 HA SER A 101 9.330 21.717 -18.299 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.618 22.677 -20.028 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.587 21.346 -19.542 1.00 0.00 H new ATOM 0 HG SER A 101 6.897 22.109 -17.307 1.00 0.00 H new ATOM 1601 N GLN A 102 9.035 18.832 -18.277 1.00 0.00 N ATOM 1602 CA GLN A 102 8.760 17.573 -17.595 1.00 0.00 C ATOM 1603 C GLN A 102 8.748 17.765 -16.082 1.00 0.00 C ATOM 1604 O GLN A 102 8.856 18.888 -15.589 1.00 0.00 O ATOM 1605 CB GLN A 102 9.803 16.522 -17.979 1.00 0.00 C ATOM 1606 CG GLN A 102 9.397 15.669 -19.170 1.00 0.00 C ATOM 1607 CD GLN A 102 8.623 14.431 -18.763 1.00 0.00 C ATOM 1608 OE1 GLN A 102 7.557 14.523 -18.155 1.00 0.00 O ATOM 1609 NE2 GLN A 102 9.157 13.262 -19.098 1.00 0.00 N ATOM 0 H GLN A 102 9.878 18.826 -18.851 1.00 0.00 H new ATOM 0 HA GLN A 102 7.774 17.228 -17.907 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.745 17.022 -18.205 1.00 0.00 H new ATOM 0 HB3 GLN A 102 9.985 15.873 -17.123 1.00 0.00 H new ATOM 0 HG2 GLN A 102 8.789 16.266 -19.850 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.290 15.371 -19.720 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.043 13.232 -19.602 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.681 12.394 -18.851 1.00 0.00 H new ATOM 1618 N GLN A 103 8.617 16.663 -15.351 1.00 0.00 N ATOM 1619 CA GLN A 103 8.590 16.711 -13.894 1.00 0.00 C ATOM 1620 C GLN A 103 9.357 15.537 -13.296 1.00 0.00 C ATOM 1621 O GLN A 103 9.318 14.424 -13.821 1.00 0.00 O ATOM 1622 CB GLN A 103 7.146 16.702 -13.390 1.00 0.00 C ATOM 1623 CG GLN A 103 6.300 17.837 -13.945 1.00 0.00 C ATOM 1624 CD GLN A 103 4.882 17.823 -13.409 1.00 0.00 C ATOM 1625 OE1 GLN A 103 3.920 17.708 -14.170 1.00 0.00 O ATOM 1626 NE2 GLN A 103 4.744 17.941 -12.094 1.00 0.00 N ATOM 0 H GLN A 103 8.528 15.726 -15.744 1.00 0.00 H new ATOM 0 HA GLN A 103 9.073 17.635 -13.577 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.683 15.752 -13.656 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.150 16.761 -12.302 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.769 18.789 -13.697 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.274 17.768 -15.032 1.00 0.00 H new ATOM 0 HE21 GLN A 103 5.569 18.034 -11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.813 17.939 -11.677 1.00 0.00 H new ATOM 1635 N PHE A 104 10.056 15.792 -12.195 1.00 0.00 N ATOM 1636 CA PHE A 104 10.834 14.757 -11.526 1.00 0.00 C ATOM 1637 C PHE A 104 10.892 15.006 -10.022 1.00 0.00 C ATOM 1638 O PHE A 104 10.702 16.131 -9.561 1.00 0.00 O ATOM 1639 CB PHE A 104 12.252 14.703 -12.101 1.00 0.00 C ATOM 1640 CG PHE A 104 12.294 14.778 -13.600 1.00 0.00 C ATOM 1641 CD1 PHE A 104 11.986 15.959 -14.257 1.00 0.00 C ATOM 1642 CD2 PHE A 104 12.643 13.669 -14.353 1.00 0.00 C ATOM 1643 CE1 PHE A 104 12.023 16.030 -15.636 1.00 0.00 C ATOM 1644 CE2 PHE A 104 12.683 13.734 -15.733 1.00 0.00 C ATOM 1645 CZ PHE A 104 12.373 14.917 -16.375 1.00 0.00 C ATOM 0 H PHE A 104 10.099 16.707 -11.747 1.00 0.00 H new ATOM 0 HA PHE A 104 10.342 13.800 -11.699 1.00 0.00 H new ATOM 0 HB2 PHE A 104 12.835 15.526 -11.688 1.00 0.00 H new ATOM 0 HB3 PHE A 104 12.732 13.779 -11.778 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.714 16.833 -13.684 1.00 0.00 H new ATOM 0 HD2 PHE A 104 12.887 12.742 -13.856 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.778 16.955 -16.136 1.00 0.00 H new ATOM 0 HE2 PHE A 104 12.956 12.862 -16.308 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.404 14.972 -17.453 1.00 0.00 H new ATOM 1655 N MET A 105 11.155 13.948 -9.262 1.00 0.00 N ATOM 1656 CA MET A 105 11.239 14.051 -7.810 1.00 0.00 C ATOM 1657 C MET A 105 12.681 14.266 -7.363 1.00 0.00 C ATOM 1658 O MET A 105 12.933 14.863 -6.316 1.00 0.00 O ATOM 1659 CB MET A 105 10.671 12.791 -7.154 1.00 0.00 C ATOM 1660 CG MET A 105 9.178 12.870 -6.879 1.00 0.00 C ATOM 1661 SD MET A 105 8.737 14.270 -5.831 1.00 0.00 S ATOM 1662 CE MET A 105 7.119 14.682 -6.480 1.00 0.00 C ATOM 0 H MET A 105 11.314 13.009 -9.628 1.00 0.00 H new ATOM 0 HA MET A 105 10.648 14.912 -7.497 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.869 11.935 -7.799 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.196 12.611 -6.216 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.642 12.946 -7.825 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.851 11.946 -6.401 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.790 15.632 -6.060 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.173 14.764 -7.566 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.409 13.900 -6.210 1.00 0.00 H new ATOM 1672 N GLN A 106 13.623 13.775 -8.161 1.00 0.00 N ATOM 1673 CA GLN A 106 15.040 13.912 -7.845 1.00 0.00 C ATOM 1674 C GLN A 106 15.751 14.763 -8.893 1.00 0.00 C ATOM 1675 O GLN A 106 15.366 14.777 -10.062 1.00 0.00 O ATOM 1676 CB GLN A 106 15.700 12.535 -7.755 1.00 0.00 C ATOM 1677 CG GLN A 106 14.863 11.507 -7.013 1.00 0.00 C ATOM 1678 CD GLN A 106 15.706 10.427 -6.364 1.00 0.00 C ATOM 1679 OE1 GLN A 106 16.107 9.461 -7.014 1.00 0.00 O ATOM 1680 NE2 GLN A 106 15.980 10.585 -5.074 1.00 0.00 N ATOM 0 H GLN A 106 13.431 13.279 -9.031 1.00 0.00 H new ATOM 0 HA GLN A 106 15.125 14.411 -6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 106 15.899 12.170 -8.763 1.00 0.00 H new ATOM 0 HB3 GLN A 106 16.664 12.635 -7.256 1.00 0.00 H new ATOM 0 HG2 GLN A 106 14.271 12.010 -6.248 1.00 0.00 H new ATOM 0 HG3 GLN A 106 14.161 11.046 -7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 106 15.627 11.401 -4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 106 16.543 9.890 -4.583 1.00 0.00 H new ATOM 1689 N LYS A 107 16.791 15.471 -8.466 1.00 0.00 N ATOM 1690 CA LYS A 107 17.558 16.324 -9.366 1.00 0.00 C ATOM 1691 C LYS A 107 18.246 15.496 -10.446 1.00 0.00 C ATOM 1692 O LYS A 107 18.074 15.745 -11.639 1.00 0.00 O ATOM 1693 CB LYS A 107 18.599 17.124 -8.580 1.00 0.00 C ATOM 1694 CG LYS A 107 18.884 18.495 -9.168 1.00 0.00 C ATOM 1695 CD LYS A 107 19.368 19.468 -8.106 1.00 0.00 C ATOM 1696 CE LYS A 107 20.883 19.440 -7.973 1.00 0.00 C ATOM 1697 NZ LYS A 107 21.375 18.111 -7.517 1.00 0.00 N ATOM 0 H LYS A 107 17.122 15.471 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 107 16.867 17.015 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 107 18.254 17.243 -7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.528 16.555 -8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 107 19.637 18.406 -9.952 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.981 18.886 -9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 107 19.043 20.477 -8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 107 18.913 19.218 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 107 21.336 19.685 -8.933 1.00 0.00 H new ATOM 0 HE3 LYS A 107 21.200 20.207 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 22.293 18.225 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 20.690 17.697 -6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 21.486 17.482 -8.337 1.00 0.00 H new ATOM 1711 N LYS A 108 19.026 14.508 -10.020 1.00 0.00 N ATOM 1712 CA LYS A 108 19.739 13.640 -10.950 1.00 0.00 C ATOM 1713 C LYS A 108 18.790 13.071 -11.999 1.00 0.00 C ATOM 1714 O LYS A 108 19.158 12.916 -13.164 1.00 0.00 O ATOM 1715 CB LYS A 108 20.423 12.499 -10.193 1.00 0.00 C ATOM 1716 CG LYS A 108 19.472 11.684 -9.334 1.00 0.00 C ATOM 1717 CD LYS A 108 19.366 12.250 -7.928 1.00 0.00 C ATOM 1718 CE LYS A 108 19.090 11.157 -6.907 1.00 0.00 C ATOM 1719 NZ LYS A 108 19.424 11.594 -5.523 1.00 0.00 N ATOM 0 H LYS A 108 19.180 14.288 -9.036 1.00 0.00 H new ATOM 0 HA LYS A 108 20.497 14.237 -11.457 1.00 0.00 H new ATOM 0 HB2 LYS A 108 20.909 11.838 -10.911 1.00 0.00 H new ATOM 0 HB3 LYS A 108 21.207 12.913 -9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 108 18.485 11.669 -9.796 1.00 0.00 H new ATOM 0 HG3 LYS A 108 19.818 10.651 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 108 20.292 12.764 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 108 18.569 12.992 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 108 18.039 10.873 -6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 108 19.672 10.270 -7.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 19.222 10.821 -4.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 20.433 11.841 -5.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 18.851 12.425 -5.273 1.00 0.00 H new ATOM 1733 N ASP A 109 17.568 12.763 -11.580 1.00 0.00 N ATOM 1734 CA ASP A 109 16.565 12.213 -12.485 1.00 0.00 C ATOM 1735 C ASP A 109 16.311 13.159 -13.654 1.00 0.00 C ATOM 1736 O ASP A 109 16.100 12.722 -14.786 1.00 0.00 O ATOM 1737 CB ASP A 109 15.259 11.949 -11.733 1.00 0.00 C ATOM 1738 CG ASP A 109 14.513 10.745 -12.274 1.00 0.00 C ATOM 1739 OD1 ASP A 109 15.076 9.631 -12.233 1.00 0.00 O ATOM 1740 OD2 ASP A 109 13.366 10.917 -12.736 1.00 0.00 O ATOM 0 H ASP A 109 17.248 12.885 -10.619 1.00 0.00 H new ATOM 0 HA ASP A 109 16.945 11.271 -12.880 1.00 0.00 H new ATOM 0 HB2 ASP A 109 15.477 11.793 -10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.620 12.829 -11.801 1.00 0.00 H new ATOM 1745 N LEU A 110 16.331 14.457 -13.373 1.00 0.00 N ATOM 1746 CA LEU A 110 16.102 15.467 -14.401 1.00 0.00 C ATOM 1747 C LEU A 110 17.342 15.650 -15.270 1.00 0.00 C ATOM 1748 O LEU A 110 17.264 15.600 -16.497 1.00 0.00 O ATOM 1749 CB LEU A 110 15.714 16.799 -13.758 1.00 0.00 C ATOM 1750 CG LEU A 110 15.796 18.030 -14.662 1.00 0.00 C ATOM 1751 CD1 LEU A 110 14.827 17.901 -15.827 1.00 0.00 C ATOM 1752 CD2 LEU A 110 15.511 19.296 -13.867 1.00 0.00 C ATOM 0 H LEU A 110 16.503 14.835 -12.442 1.00 0.00 H new ATOM 0 HA LEU A 110 15.284 15.126 -15.035 1.00 0.00 H new ATOM 0 HB2 LEU A 110 14.694 16.715 -13.384 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.358 16.964 -12.894 1.00 0.00 H new ATOM 0 HG LEU A 110 16.808 18.097 -15.062 1.00 0.00 H new ATOM 0 HD11 LEU A 110 14.899 18.786 -16.460 1.00 0.00 H new ATOM 0 HD12 LEU A 110 15.077 17.016 -16.412 1.00 0.00 H new ATOM 0 HD13 LEU A 110 13.810 17.809 -15.446 1.00 0.00 H new ATOM 0 HD21 LEU A 110 15.574 20.162 -14.526 1.00 0.00 H new ATOM 0 HD22 LEU A 110 14.511 19.239 -13.438 1.00 0.00 H new ATOM 0 HD23 LEU A 110 16.244 19.396 -13.067 1.00 0.00 H new ATOM 1764 N GLN A 111 18.485 15.860 -14.625 1.00 0.00 N ATOM 1765 CA GLN A 111 19.741 16.049 -15.339 1.00 0.00 C ATOM 1766 C GLN A 111 19.931 14.972 -16.402 1.00 0.00 C ATOM 1767 O GLN A 111 20.222 15.272 -17.559 1.00 0.00 O ATOM 1768 CB GLN A 111 20.917 16.029 -14.361 1.00 0.00 C ATOM 1769 CG GLN A 111 20.816 17.079 -13.266 1.00 0.00 C ATOM 1770 CD GLN A 111 22.126 17.286 -12.533 1.00 0.00 C ATOM 1771 OE1 GLN A 111 23.204 17.128 -13.107 1.00 0.00 O ATOM 1772 NE2 GLN A 111 22.040 17.642 -11.256 1.00 0.00 N ATOM 0 H GLN A 111 18.567 15.903 -13.609 1.00 0.00 H new ATOM 0 HA GLN A 111 19.705 17.020 -15.833 1.00 0.00 H new ATOM 0 HB2 GLN A 111 20.980 15.042 -13.902 1.00 0.00 H new ATOM 0 HB3 GLN A 111 21.843 16.182 -14.916 1.00 0.00 H new ATOM 0 HG2 GLN A 111 20.495 18.025 -13.703 1.00 0.00 H new ATOM 0 HG3 GLN A 111 20.048 16.781 -12.552 1.00 0.00 H new ATOM 0 HE21 GLN A 111 21.125 17.762 -10.820 1.00 0.00 H new ATOM 0 HE22 GLN A 111 22.888 17.796 -10.711 1.00 0.00 H new ATOM 1781 N SER A 112 19.763 13.716 -16.001 1.00 0.00 N ATOM 1782 CA SER A 112 19.919 12.593 -16.918 1.00 0.00 C ATOM 1783 C SER A 112 18.872 12.647 -18.026 1.00 0.00 C ATOM 1784 O SER A 112 19.170 12.379 -19.191 1.00 0.00 O ATOM 1785 CB SER A 112 19.809 11.269 -16.160 1.00 0.00 C ATOM 1786 OG SER A 112 20.587 10.260 -16.780 1.00 0.00 O ATOM 0 H SER A 112 19.519 13.450 -15.047 1.00 0.00 H new ATOM 0 HA SER A 112 20.907 12.662 -17.373 1.00 0.00 H new ATOM 0 HB2 SER A 112 20.140 11.407 -15.131 1.00 0.00 H new ATOM 0 HB3 SER A 112 18.766 10.955 -16.120 1.00 0.00 H new ATOM 0 HG SER A 112 20.501 9.424 -16.275 1.00 0.00 H new ATOM 1792 N HIS A 113 17.644 12.994 -17.655 1.00 0.00 N ATOM 1793 CA HIS A 113 16.551 13.084 -18.616 1.00 0.00 C ATOM 1794 C HIS A 113 16.871 14.100 -19.709 1.00 0.00 C ATOM 1795 O HIS A 113 16.557 13.887 -20.879 1.00 0.00 O ATOM 1796 CB HIS A 113 15.252 13.470 -17.909 1.00 0.00 C ATOM 1797 CG HIS A 113 14.317 14.266 -18.767 1.00 0.00 C ATOM 1798 ND1 HIS A 113 13.377 13.686 -19.593 1.00 0.00 N ATOM 1799 CD2 HIS A 113 14.179 15.603 -18.923 1.00 0.00 C ATOM 1800 CE1 HIS A 113 12.703 14.633 -20.222 1.00 0.00 C ATOM 1801 NE2 HIS A 113 13.169 15.805 -19.832 1.00 0.00 N ATOM 0 H HIS A 113 17.381 13.218 -16.695 1.00 0.00 H new ATOM 0 HA HIS A 113 16.426 12.105 -19.079 1.00 0.00 H new ATOM 0 HB2 HIS A 113 14.745 12.564 -17.577 1.00 0.00 H new ATOM 0 HB3 HIS A 113 15.492 14.046 -17.015 1.00 0.00 H new ATOM 0 HD1 HIS A 113 13.226 12.683 -19.701 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.756 16.369 -18.425 1.00 0.00 H new ATOM 0 HE1 HIS A 113 11.906 14.475 -20.934 1.00 0.00 H new ATOM 1809 N MET A 114 17.497 15.205 -19.318 1.00 0.00 N ATOM 1810 CA MET A 114 17.859 16.254 -20.264 1.00 0.00 C ATOM 1811 C MET A 114 19.119 15.876 -21.038 1.00 0.00 C ATOM 1812 O MET A 114 19.303 16.292 -22.182 1.00 0.00 O ATOM 1813 CB MET A 114 18.075 17.580 -19.532 1.00 0.00 C ATOM 1814 CG MET A 114 16.862 18.040 -18.740 1.00 0.00 C ATOM 1815 SD MET A 114 16.856 19.820 -18.451 1.00 0.00 S ATOM 1816 CE MET A 114 16.690 20.435 -20.125 1.00 0.00 C ATOM 0 H MET A 114 17.764 15.397 -18.353 1.00 0.00 H new ATOM 0 HA MET A 114 17.038 16.369 -20.972 1.00 0.00 H new ATOM 0 HB2 MET A 114 18.924 17.478 -18.855 1.00 0.00 H new ATOM 0 HB3 MET A 114 18.337 18.349 -20.259 1.00 0.00 H new ATOM 0 HG2 MET A 114 15.955 17.760 -19.276 1.00 0.00 H new ATOM 0 HG3 MET A 114 16.840 17.520 -17.782 1.00 0.00 H new ATOM 0 HE1 MET A 114 15.943 21.229 -20.149 1.00 0.00 H new ATOM 0 HE2 MET A 114 17.648 20.828 -20.465 1.00 0.00 H new ATOM 0 HE3 MET A 114 16.377 19.623 -20.782 1.00 0.00 H new ATOM 1826 N ILE A 115 19.981 15.088 -20.406 1.00 0.00 N ATOM 1827 CA ILE A 115 21.222 14.654 -21.036 1.00 0.00 C ATOM 1828 C ILE A 115 20.968 13.532 -22.037 1.00 0.00 C ATOM 1829 O ILE A 115 21.688 13.392 -23.026 1.00 0.00 O ATOM 1830 CB ILE A 115 22.246 14.173 -19.991 1.00 0.00 C ATOM 1831 CG1 ILE A 115 22.656 15.329 -19.077 1.00 0.00 C ATOM 1832 CG2 ILE A 115 23.465 13.576 -20.679 1.00 0.00 C ATOM 1833 CD1 ILE A 115 23.040 14.889 -17.681 1.00 0.00 C ATOM 0 H ILE A 115 19.843 14.737 -19.458 1.00 0.00 H new ATOM 0 HA ILE A 115 21.629 15.519 -21.560 1.00 0.00 H new ATOM 0 HB ILE A 115 21.783 13.398 -19.380 1.00 0.00 H new ATOM 0 HG12 ILE A 115 23.497 15.857 -19.527 1.00 0.00 H new ATOM 0 HG13 ILE A 115 21.832 16.040 -19.011 1.00 0.00 H new ATOM 0 HG21 ILE A 115 24.179 13.241 -19.927 1.00 0.00 H new ATOM 0 HG22 ILE A 115 23.158 12.728 -21.292 1.00 0.00 H new ATOM 0 HG23 ILE A 115 23.932 14.331 -21.312 1.00 0.00 H new ATOM 0 HD11 ILE A 115 23.319 15.760 -17.089 1.00 0.00 H new ATOM 0 HD12 ILE A 115 22.194 14.387 -17.212 1.00 0.00 H new ATOM 0 HD13 ILE A 115 23.884 14.202 -17.735 1.00 0.00 H new ATOM 1845 N LYS A 116 19.938 12.736 -21.775 1.00 0.00 N ATOM 1846 CA LYS A 116 19.585 11.627 -22.654 1.00 0.00 C ATOM 1847 C LYS A 116 18.675 12.097 -23.784 1.00 0.00 C ATOM 1848 O LYS A 116 19.005 11.951 -24.962 1.00 0.00 O ATOM 1849 CB LYS A 116 18.894 10.518 -21.857 1.00 0.00 C ATOM 1850 CG LYS A 116 19.860 9.520 -21.240 1.00 0.00 C ATOM 1851 CD LYS A 116 20.345 9.983 -19.877 1.00 0.00 C ATOM 1852 CE LYS A 116 21.479 9.110 -19.362 1.00 0.00 C ATOM 1853 NZ LYS A 116 20.977 7.834 -18.782 1.00 0.00 N ATOM 0 H LYS A 116 19.332 12.838 -20.961 1.00 0.00 H new ATOM 0 HA LYS A 116 20.504 11.235 -23.090 1.00 0.00 H new ATOM 0 HB2 LYS A 116 18.296 10.970 -21.065 1.00 0.00 H new ATOM 0 HB3 LYS A 116 18.205 9.986 -22.513 1.00 0.00 H new ATOM 0 HG2 LYS A 116 19.371 8.551 -21.143 1.00 0.00 H new ATOM 0 HG3 LYS A 116 20.714 9.381 -21.903 1.00 0.00 H new ATOM 0 HD2 LYS A 116 20.682 11.018 -19.942 1.00 0.00 H new ATOM 0 HD3 LYS A 116 19.517 9.961 -19.168 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.168 8.892 -20.178 1.00 0.00 H new ATOM 0 HE3 LYS A 116 22.043 9.656 -18.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 21.780 7.267 -18.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 20.339 8.041 -17.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 20.461 7.301 -19.511 1.00 0.00 H new ATOM 1867 N LEU A 117 17.530 12.663 -23.419 1.00 0.00 N ATOM 1868 CA LEU A 117 16.573 13.156 -24.403 1.00 0.00 C ATOM 1869 C LEU A 117 17.027 14.492 -24.983 1.00 0.00 C ATOM 1870 O LEU A 117 17.167 14.638 -26.198 1.00 0.00 O ATOM 1871 CB LEU A 117 15.190 13.307 -23.768 1.00 0.00 C ATOM 1872 CG LEU A 117 14.760 12.186 -22.821 1.00 0.00 C ATOM 1873 CD1 LEU A 117 13.262 12.247 -22.567 1.00 0.00 C ATOM 1874 CD2 LEU A 117 15.152 10.829 -23.389 1.00 0.00 C ATOM 0 H LEU A 117 17.242 12.792 -22.449 1.00 0.00 H new ATOM 0 HA LEU A 117 16.517 12.429 -25.213 1.00 0.00 H new ATOM 0 HB2 LEU A 117 15.165 14.248 -23.219 1.00 0.00 H new ATOM 0 HB3 LEU A 117 14.452 13.384 -24.567 1.00 0.00 H new ATOM 0 HG LEU A 117 15.275 12.322 -21.870 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.974 11.442 -21.891 1.00 0.00 H new ATOM 0 HD12 LEU A 117 13.008 13.207 -22.117 1.00 0.00 H new ATOM 0 HD13 LEU A 117 12.728 12.136 -23.511 1.00 0.00 H new ATOM 0 HD21 LEU A 117 14.838 10.043 -22.702 1.00 0.00 H new ATOM 0 HD22 LEU A 117 14.665 10.684 -24.353 1.00 0.00 H new ATOM 0 HD23 LEU A 117 16.233 10.787 -23.519 1.00 0.00 H new ATOM 1886 N HIS A 118 17.259 15.464 -24.106 1.00 0.00 N ATOM 1887 CA HIS A 118 17.701 16.787 -24.531 1.00 0.00 C ATOM 1888 C HIS A 118 19.221 16.841 -24.646 1.00 0.00 C ATOM 1889 O HIS A 118 19.840 17.864 -24.353 1.00 0.00 O ATOM 1890 CB HIS A 118 17.215 17.851 -23.546 1.00 0.00 C ATOM 1891 CG HIS A 118 15.727 17.873 -23.375 1.00 0.00 C ATOM 1892 ND1 HIS A 118 14.855 18.163 -24.403 1.00 0.00 N ATOM 1893 CD2 HIS A 118 14.957 17.638 -22.286 1.00 0.00 C ATOM 1894 CE1 HIS A 118 13.614 18.107 -23.955 1.00 0.00 C ATOM 1895 NE2 HIS A 118 13.648 17.790 -22.673 1.00 0.00 N ATOM 0 H HIS A 118 17.148 15.360 -23.097 1.00 0.00 H new ATOM 0 HA HIS A 118 17.272 16.988 -25.513 1.00 0.00 H new ATOM 0 HB2 HIS A 118 17.681 17.677 -22.576 1.00 0.00 H new ATOM 0 HB3 HIS A 118 17.548 18.831 -23.889 1.00 0.00 H new ATOM 0 HD1 HIS A 118 15.126 18.386 -25.361 1.00 0.00 H new ATOM 0 HD2 HIS A 118 15.307 17.379 -21.298 1.00 0.00 H new ATOM 0 HE1 HIS A 118 12.723 18.289 -24.537 1.00 0.00 H new ATOM 1903 N SER A 119 19.817 15.733 -25.074 1.00 0.00 N ATOM 1904 CA SER A 119 21.265 15.652 -25.224 1.00 0.00 C ATOM 1905 C SER A 119 21.808 16.891 -25.931 1.00 0.00 C ATOM 1906 O SER A 119 22.722 17.550 -25.438 1.00 0.00 O ATOM 1907 CB SER A 119 21.649 14.395 -26.007 1.00 0.00 C ATOM 1908 OG SER A 119 23.040 14.367 -26.276 1.00 0.00 O ATOM 0 H SER A 119 19.319 14.878 -25.323 1.00 0.00 H new ATOM 0 HA SER A 119 21.706 15.600 -24.229 1.00 0.00 H new ATOM 0 HB2 SER A 119 21.367 13.509 -25.439 1.00 0.00 H new ATOM 0 HB3 SER A 119 21.093 14.363 -26.944 1.00 0.00 H new ATOM 0 HG SER A 119 23.260 13.553 -26.776 1.00 0.00 H new ATOM 1914 N GLY A 120 21.236 17.201 -27.090 1.00 0.00 N ATOM 1915 CA GLY A 120 21.675 18.359 -27.847 1.00 0.00 C ATOM 1916 C GLY A 120 20.542 19.014 -28.612 1.00 0.00 C ATOM 1917 O GLY A 120 19.412 19.106 -28.133 1.00 0.00 O ATOM 0 H GLY A 120 20.477 16.671 -27.518 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.119 19.087 -27.168 1.00 0.00 H new ATOM 0 HA3 GLY A 120 22.455 18.058 -28.546 1.00 0.00 H new ATOM 1921 N PRO A 121 20.841 19.486 -29.832 1.00 0.00 N ATOM 1922 CA PRO A 121 19.853 20.146 -30.690 1.00 0.00 C ATOM 1923 C PRO A 121 18.802 19.175 -31.216 1.00 0.00 C ATOM 1924 O PRO A 121 18.038 19.504 -32.124 1.00 0.00 O ATOM 1925 CB PRO A 121 20.696 20.699 -31.842 1.00 0.00 C ATOM 1926 CG PRO A 121 21.897 19.818 -31.889 1.00 0.00 C ATOM 1927 CD PRO A 121 22.168 19.412 -30.467 1.00 0.00 C ATOM 0 HA PRO A 121 19.290 20.909 -30.152 1.00 0.00 H new ATOM 0 HB2 PRO A 121 20.147 20.671 -32.783 1.00 0.00 H new ATOM 0 HB3 PRO A 121 20.974 21.738 -31.666 1.00 0.00 H new ATOM 0 HG2 PRO A 121 21.716 18.945 -32.516 1.00 0.00 H new ATOM 0 HG3 PRO A 121 22.751 20.345 -32.314 1.00 0.00 H new ATOM 0 HD2 PRO A 121 22.586 18.407 -30.409 1.00 0.00 H new ATOM 0 HD3 PRO A 121 22.881 20.082 -29.987 1.00 0.00 H new ATOM 1935 N SER A 122 18.768 17.977 -30.641 1.00 0.00 N ATOM 1936 CA SER A 122 17.813 16.957 -31.055 1.00 0.00 C ATOM 1937 C SER A 122 16.428 17.246 -30.484 1.00 0.00 C ATOM 1938 O SER A 122 16.235 18.220 -29.757 1.00 0.00 O ATOM 1939 CB SER A 122 18.285 15.573 -30.604 1.00 0.00 C ATOM 1940 OG SER A 122 17.543 14.548 -31.243 1.00 0.00 O ATOM 0 H SER A 122 19.391 17.689 -29.887 1.00 0.00 H new ATOM 0 HA SER A 122 17.749 16.974 -32.143 1.00 0.00 H new ATOM 0 HB2 SER A 122 19.345 15.455 -30.831 1.00 0.00 H new ATOM 0 HB3 SER A 122 18.179 15.483 -29.523 1.00 0.00 H new ATOM 0 HG SER A 122 17.865 13.673 -30.939 1.00 0.00 H new ATOM 1946 N SER A 123 15.467 16.391 -30.819 1.00 0.00 N ATOM 1947 CA SER A 123 14.098 16.555 -30.343 1.00 0.00 C ATOM 1948 C SER A 123 13.478 17.832 -30.901 1.00 0.00 C ATOM 1949 O SER A 123 12.834 18.591 -30.178 1.00 0.00 O ATOM 1950 CB SER A 123 14.067 16.586 -28.814 1.00 0.00 C ATOM 1951 OG SER A 123 14.578 15.382 -28.269 1.00 0.00 O ATOM 0 H SER A 123 15.611 15.578 -31.418 1.00 0.00 H new ATOM 0 HA SER A 123 13.514 15.704 -30.694 1.00 0.00 H new ATOM 0 HB2 SER A 123 14.654 17.430 -28.452 1.00 0.00 H new ATOM 0 HB3 SER A 123 13.044 16.739 -28.471 1.00 0.00 H new ATOM 0 HG SER A 123 14.549 15.428 -27.290 1.00 0.00 H new ATOM 1957 N GLY A 124 13.678 18.063 -32.196 1.00 0.00 N ATOM 1958 CA GLY A 124 13.134 19.249 -32.831 1.00 0.00 C ATOM 1959 C GLY A 124 11.951 18.936 -33.725 1.00 0.00 C ATOM 1960 O GLY A 124 11.525 19.808 -34.481 1.00 0.00 O ATOM 0 H GLY A 124 14.207 17.450 -32.816 1.00 0.00 H new ATOM 0 HA2 GLY A 124 12.828 19.960 -32.064 1.00 0.00 H new ATOM 0 HA3 GLY A 124 13.913 19.732 -33.420 1.00 0.00 H new TER 1964 GLY A 124 HETATM 1965 ZN ZN A 200 -7.582 -5.299 7.388 1.00 0.00 ZN HETATM 1966 ZN ZN A 300 -4.073 -20.797 0.707 1.00 0.00 ZN HETATM 1967 ZN ZN A 400 -1.761 8.966 -2.055 1.00 0.00 ZN HETATM 1968 ZN ZN A 500 12.771 17.560 -20.828 1.00 0.00 ZN