USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 ASN : amide:sc= -0.295 K(o=-0.29,f=-2.8!) USER MOD Set 1.2: A 139 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 126 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.000423) USER MOD Set 2.2: A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 128 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Set 3.1: A 29 TYR OH : rot -159:sc= 0.98 USER MOD Set 3.2: A 31 SER OG : rot 152:sc= 3.24 USER MOD Set 3.3: A 108 TYR OH : rot 180:sc= 0.849 USER MOD Set 4.1: A 90 SER OG : rot 180:sc= 0.281 USER MOD Set 4.2: A 92 THR OG1 : rot 118:sc= 1.2 USER MOD Set 4.3: A 94 ASN : amide:sc= 0.881 K(o=2.4,f=-0.47) USER MOD Set 5.1: A 72 SER OG : rot -107:sc= -1.84! USER MOD Set 5.2: A 75 THR OG1 : rot 152:sc= 1.19 USER MOD Set 5.3: A 77 GLN : amide:sc= 1.72 K(o=1.1,f=-3.3!) USER MOD Set 6.1: A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 6.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -140:sc= -2.23! USER MOD Single : A 32 ASN : amide:sc= -0.0273! C(o=-0.027!,f=-5.6!) USER MOD Single : A 35 HIS : no HD1:sc= -0.158 K(o=-0.16,f=-0.95) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.0913 K(o=0.091,f=-7!) USER MOD Single : A 55 HIS : no HD1:sc= -0.504 K(o=-0.5,f=-4.4!) USER MOD Single : A 59 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.63) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 143:sc= 0.433 USER MOD Single : A 71 LYS NZ :NH3+ -145:sc= 0 (180deg=-1.35!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 151:sc= -1.56 (180deg=-5.61!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 CYS SG : rot 176:sc= 1.45 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 109 ASN : amide:sc= -1.48 K(o=-1.5,f=-5.4!) USER MOD Single : A 110 THR OG1 : rot -78:sc= 0.935 USER MOD Single : A 111 TYR OH : rot 144:sc= 0 USER MOD Single : A 113 SER OG : rot 108:sc= 0.0454 USER MOD Single : A 114 LYS NZ :NH3+ 166:sc= 0.199 (180deg=0.0288) USER MOD Single : A 115 LYS NZ :NH3+ -112:sc= 1.44 (180deg=-0.6) USER MOD Single : A 116 HIS : no HD1:sc= -0.329 K(o=-0.33,f=-0.93) USER MOD Single : A 119 LYS NZ :NH3+ -169:sc=-0.00234 (180deg=-0.121) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 CYS SG : rot -3:sc= -3.59! USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 125:sc= 0.795 USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 141 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 148:sc= 0.328 (180deg=0.048) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 26 2.625 -4.886 11.717 1.00 0.00 N ATOM 12 CA ALA A 26 2.970 -5.220 10.327 1.00 0.00 C ATOM 13 C ALA A 26 3.741 -4.105 9.622 1.00 0.00 C ATOM 14 O ALA A 26 3.556 -2.923 9.893 1.00 0.00 O ATOM 15 CB ALA A 26 1.724 -5.609 9.519 1.00 0.00 C ATOM 0 HA ALA A 26 3.634 -6.083 10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.014 -5.850 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.251 -6.478 9.976 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.021 -4.776 9.510 1.00 0.00 H new ATOM 16 N LEU A 27 4.730 -4.584 8.875 1.00 0.00 N ATOM 17 CA LEU A 27 5.564 -3.734 7.994 1.00 0.00 C ATOM 18 C LEU A 27 5.340 -4.087 6.524 1.00 0.00 C ATOM 19 O LEU A 27 5.237 -5.257 6.149 1.00 0.00 O ATOM 20 CB LEU A 27 7.054 -3.925 8.283 1.00 0.00 C ATOM 21 CG LEU A 27 7.528 -3.462 9.665 1.00 0.00 C ATOM 22 CD1 LEU A 27 8.925 -4.033 9.909 1.00 0.00 C ATOM 23 CD2 LEU A 27 7.553 -1.944 9.779 1.00 0.00 C ATOM 0 H LEU A 27 4.986 -5.571 8.854 1.00 0.00 H new ATOM 0 HA LEU A 27 5.271 -2.703 8.192 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.294 -4.982 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.624 -3.388 7.525 1.00 0.00 H new ATOM 0 HG LEU A 27 6.828 -3.825 10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.282 -3.715 10.889 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.884 -5.122 9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.606 -3.670 9.139 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.895 -1.659 10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.232 -1.534 9.031 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.550 -1.550 9.613 1.00 0.00 H new ATOM 24 N LEU A 28 5.386 -3.043 5.704 1.00 0.00 N ATOM 25 CA LEU A 28 5.212 -3.160 4.254 1.00 0.00 C ATOM 26 C LEU A 28 6.364 -2.453 3.531 1.00 0.00 C ATOM 27 O LEU A 28 6.465 -1.230 3.562 1.00 0.00 O ATOM 28 CB LEU A 28 3.858 -2.527 3.935 1.00 0.00 C ATOM 29 CG LEU A 28 3.284 -2.889 2.556 1.00 0.00 C ATOM 30 CD1 LEU A 28 3.222 -4.400 2.304 1.00 0.00 C ATOM 31 CD2 LEU A 28 1.870 -2.314 2.432 1.00 0.00 C ATOM 0 H LEU A 28 5.545 -2.087 6.023 1.00 0.00 H new ATOM 0 HA LEU A 28 5.229 -4.197 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.143 -2.828 4.701 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.956 -1.443 3.999 1.00 0.00 H new ATOM 0 HG LEU A 28 3.957 -2.462 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.807 -4.587 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.226 -4.820 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.588 -4.869 3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.458 -2.568 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.237 -2.734 3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.907 -1.230 2.539 1.00 0.00 H new ATOM 32 N TYR A 29 7.311 -3.278 3.114 1.00 0.00 N ATOM 33 CA TYR A 29 8.494 -2.824 2.375 1.00 0.00 C ATOM 34 C TYR A 29 8.225 -2.861 0.860 1.00 0.00 C ATOM 35 O TYR A 29 7.321 -3.536 0.375 1.00 0.00 O ATOM 36 CB TYR A 29 9.677 -3.692 2.822 1.00 0.00 C ATOM 37 CG TYR A 29 10.904 -3.727 1.904 1.00 0.00 C ATOM 38 CD1 TYR A 29 11.769 -2.618 1.776 1.00 0.00 C ATOM 39 CD2 TYR A 29 11.018 -4.862 1.079 1.00 0.00 C ATOM 40 CE1 TYR A 29 12.729 -2.620 0.744 1.00 0.00 C ATOM 41 CE2 TYR A 29 11.973 -4.881 0.061 1.00 0.00 C ATOM 42 CZ TYR A 29 12.794 -3.749 -0.113 1.00 0.00 C ATOM 43 OH TYR A 29 13.550 -3.691 -1.246 1.00 0.00 O ATOM 0 H TYR A 29 7.287 -4.285 3.275 1.00 0.00 H new ATOM 0 HA TYR A 29 8.737 -1.784 2.594 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.999 -3.345 3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.319 -4.714 2.947 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.696 -1.783 2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.371 -5.713 1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.398 -1.783 0.609 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.080 -5.744 -0.579 1.00 0.00 H new ATOM 0 HH TYR A 29 13.245 -4.374 -1.878 1.00 0.00 H new ATOM 44 N CYS A 30 8.909 -1.950 0.175 1.00 0.00 N ATOM 45 CA CYS A 30 8.826 -1.755 -1.273 1.00 0.00 C ATOM 46 C CYS A 30 10.199 -1.733 -1.939 1.00 0.00 C ATOM 47 O CYS A 30 10.980 -0.802 -1.760 1.00 0.00 O ATOM 48 CB CYS A 30 8.026 -0.491 -1.605 1.00 0.00 C ATOM 49 SG CYS A 30 7.738 0.699 -0.251 1.00 0.00 S ATOM 0 H CYS A 30 9.558 -1.305 0.625 1.00 0.00 H new ATOM 0 HA CYS A 30 8.297 -2.615 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 30 8.542 0.033 -2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.056 -0.799 -1.995 1.00 0.00 H new ATOM 0 HG CYS A 30 6.527 1.165 -0.333 1.00 0.00 H new ATOM 50 N SER A 31 10.399 -2.745 -2.783 1.00 0.00 N ATOM 51 CA SER A 31 11.577 -2.860 -3.666 1.00 0.00 C ATOM 52 C SER A 31 11.497 -1.923 -4.892 1.00 0.00 C ATOM 53 O SER A 31 12.348 -1.958 -5.783 1.00 0.00 O ATOM 54 CB SER A 31 11.821 -4.290 -4.143 1.00 0.00 C ATOM 55 OG SER A 31 12.097 -5.126 -3.023 1.00 0.00 O ATOM 0 H SER A 31 9.744 -3.521 -2.880 1.00 0.00 H new ATOM 0 HA SER A 31 12.419 -2.552 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 31 10.947 -4.660 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.657 -4.313 -4.842 1.00 0.00 H new ATOM 0 HG SER A 31 11.812 -6.042 -3.221 1.00 0.00 H new ATOM 56 N ASN A 32 10.405 -1.165 -4.950 1.00 0.00 N ATOM 57 CA ASN A 32 10.262 0.048 -5.778 1.00 0.00 C ATOM 58 C ASN A 32 11.519 0.925 -5.719 1.00 0.00 C ATOM 59 O ASN A 32 11.928 1.531 -6.715 1.00 0.00 O ATOM 60 CB ASN A 32 9.053 0.805 -5.223 1.00 0.00 C ATOM 61 CG ASN A 32 8.495 1.951 -6.095 1.00 0.00 C ATOM 62 OD1 ASN A 32 7.315 2.257 -6.011 1.00 0.00 O ATOM 63 ND2 ASN A 32 9.283 2.627 -6.886 1.00 0.00 N ATOM 0 H ASN A 32 9.566 -1.377 -4.410 1.00 0.00 H new ATOM 0 HA ASN A 32 10.124 -0.218 -6.826 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.251 0.087 -5.050 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.326 1.218 -4.252 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.913 3.406 -7.430 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.269 2.376 -6.960 1.00 0.00 H new ATOM 64 N GLY A 33 11.995 1.105 -4.482 1.00 0.00 N ATOM 65 CA GLY A 33 13.268 1.751 -4.153 1.00 0.00 C ATOM 66 C GLY A 33 13.941 0.873 -3.092 1.00 0.00 C ATOM 67 O GLY A 33 14.263 -0.287 -3.351 1.00 0.00 O ATOM 0 H GLY A 33 11.486 0.794 -3.655 1.00 0.00 H new ATOM 0 HA2 GLY A 33 13.898 1.841 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.104 2.760 -3.775 1.00 0.00 H new ATOM 68 N GLY A 34 13.856 1.364 -1.860 1.00 0.00 N ATOM 69 CA GLY A 34 14.277 0.596 -0.666 1.00 0.00 C ATOM 70 C GLY A 34 13.555 1.104 0.563 1.00 0.00 C ATOM 71 O GLY A 34 14.179 1.469 1.562 1.00 0.00 O ATOM 0 H GLY A 34 13.498 2.296 -1.649 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.062 -0.463 -0.811 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.354 0.687 -0.527 1.00 0.00 H new ATOM 72 N HIS A 35 12.222 1.110 0.476 1.00 0.00 N ATOM 73 CA HIS A 35 11.423 1.888 1.421 1.00 0.00 C ATOM 74 C HIS A 35 10.280 1.110 2.073 1.00 0.00 C ATOM 75 O HIS A 35 9.983 -0.016 1.692 1.00 0.00 O ATOM 76 CB HIS A 35 10.795 3.120 0.739 1.00 0.00 C ATOM 77 CG HIS A 35 11.802 3.910 -0.103 1.00 0.00 C ATOM 78 ND1 HIS A 35 13.053 4.205 0.258 1.00 0.00 N ATOM 79 CD2 HIS A 35 11.645 4.272 -1.371 1.00 0.00 C ATOM 80 CE1 HIS A 35 13.662 4.773 -0.781 1.00 0.00 C ATOM 81 NE2 HIS A 35 12.787 4.811 -1.779 1.00 0.00 N ATOM 0 H HIS A 35 11.685 0.597 -0.223 1.00 0.00 H new ATOM 0 HA HIS A 35 12.135 2.171 2.196 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.971 2.797 0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.372 3.775 1.501 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.750 4.150 -1.963 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.679 5.136 -0.807 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.964 5.192 -2.708 1.00 0.00 H new ATOM 82 N PHE A 36 9.751 1.711 3.120 1.00 0.00 N ATOM 83 CA PHE A 36 8.534 1.271 3.799 1.00 0.00 C ATOM 84 C PHE A 36 7.352 2.202 3.507 1.00 0.00 C ATOM 85 O PHE A 36 7.504 3.395 3.258 1.00 0.00 O ATOM 86 CB PHE A 36 8.814 1.239 5.296 1.00 0.00 C ATOM 87 CG PHE A 36 9.629 -0.003 5.654 1.00 0.00 C ATOM 88 CD1 PHE A 36 11.034 0.028 5.495 1.00 0.00 C ATOM 89 CD2 PHE A 36 8.983 -1.188 6.075 1.00 0.00 C ATOM 90 CE1 PHE A 36 11.807 -1.124 5.751 1.00 0.00 C ATOM 91 CE2 PHE A 36 9.751 -2.349 6.334 1.00 0.00 C ATOM 92 CZ PHE A 36 11.149 -2.304 6.167 1.00 0.00 C ATOM 0 H PHE A 36 10.163 2.544 3.539 1.00 0.00 H new ATOM 0 HA PHE A 36 8.260 0.281 3.434 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.357 2.137 5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.875 1.238 5.849 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.518 0.939 5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.910 -1.208 6.198 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.880 -1.105 5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.270 -3.260 6.657 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.732 -3.192 6.361 1.00 0.00 H new ATOM 93 N LEU A 37 6.180 1.569 3.529 1.00 0.00 N ATOM 94 CA LEU A 37 4.886 2.213 3.291 1.00 0.00 C ATOM 95 C LEU A 37 4.312 2.767 4.604 1.00 0.00 C ATOM 96 O LEU A 37 3.667 2.072 5.394 1.00 0.00 O ATOM 97 CB LEU A 37 3.927 1.205 2.665 1.00 0.00 C ATOM 98 CG LEU A 37 2.821 1.998 1.947 1.00 0.00 C ATOM 99 CD1 LEU A 37 3.317 2.497 0.585 1.00 0.00 C ATOM 100 CD2 LEU A 37 1.561 1.152 1.734 1.00 0.00 C ATOM 0 H LEU A 37 6.100 0.570 3.717 1.00 0.00 H new ATOM 0 HA LEU A 37 5.020 3.049 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.454 0.561 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.499 0.558 3.430 1.00 0.00 H new ATOM 0 HG LEU A 37 2.570 2.844 2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.522 3.056 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.182 3.145 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.600 1.645 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.804 1.748 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.806 0.281 1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.175 0.825 2.699 1.00 0.00 H new ATOM 101 N ARG A 38 4.541 4.062 4.774 1.00 0.00 N ATOM 102 CA ARG A 38 4.230 4.779 6.005 1.00 0.00 C ATOM 103 C ARG A 38 3.053 5.736 5.822 1.00 0.00 C ATOM 104 O ARG A 38 3.083 6.614 4.954 1.00 0.00 O ATOM 105 CB ARG A 38 5.459 5.592 6.389 1.00 0.00 C ATOM 106 CG ARG A 38 5.822 5.293 7.834 1.00 0.00 C ATOM 107 CD ARG A 38 6.904 6.205 8.390 1.00 0.00 C ATOM 108 NE ARG A 38 6.473 7.613 8.302 1.00 0.00 N ATOM 109 CZ ARG A 38 7.038 8.639 8.942 1.00 0.00 C ATOM 110 NH1 ARG A 38 8.009 8.448 9.816 1.00 0.00 N ATOM 111 NH2 ARG A 38 6.605 9.874 8.766 1.00 0.00 N ATOM 0 H ARG A 38 4.953 4.653 4.052 1.00 0.00 H new ATOM 0 HA ARG A 38 3.960 4.056 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.293 5.345 5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.260 6.656 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.928 5.385 8.451 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.156 4.258 7.909 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.113 5.944 9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.831 6.064 7.833 1.00 0.00 H new ATOM 0 HE ARG A 38 5.675 7.820 7.701 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.340 7.503 10.012 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.428 9.245 10.295 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.827 10.056 8.133 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.049 10.646 9.264 1.00 0.00 H new ATOM 112 N ILE A 39 2.140 5.670 6.776 1.00 0.00 N ATOM 113 CA ILE A 39 0.932 6.521 6.752 1.00 0.00 C ATOM 114 C ILE A 39 1.170 7.769 7.618 1.00 0.00 C ATOM 115 O ILE A 39 1.950 7.746 8.562 1.00 0.00 O ATOM 116 CB ILE A 39 -0.291 5.684 7.188 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.599 6.461 6.979 1.00 0.00 C ATOM 118 CG2 ILE A 39 -0.158 5.194 8.634 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.830 5.546 6.918 1.00 0.00 C ATOM 0 H ILE A 39 2.199 5.044 7.579 1.00 0.00 H new ATOM 0 HA ILE A 39 0.721 6.879 5.744 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.323 4.800 6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.724 7.178 7.791 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.532 7.035 6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.038 4.609 8.902 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.733 4.573 8.727 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.074 6.051 9.302 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.725 6.150 6.769 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.722 4.846 6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.918 4.991 7.852 1.00 0.00 H new ATOM 120 N LEU A 40 0.585 8.876 7.170 1.00 0.00 N ATOM 121 CA LEU A 40 0.479 10.070 8.014 1.00 0.00 C ATOM 122 C LEU A 40 -0.971 10.213 8.484 1.00 0.00 C ATOM 123 O LEU A 40 -1.886 10.053 7.671 1.00 0.00 O ATOM 124 CB LEU A 40 0.925 11.308 7.244 1.00 0.00 C ATOM 125 CG LEU A 40 2.433 11.266 6.969 1.00 0.00 C ATOM 126 CD1 LEU A 40 2.757 12.112 5.736 1.00 0.00 C ATOM 127 CD2 LEU A 40 3.241 11.706 8.190 1.00 0.00 C ATOM 0 H LEU A 40 0.180 8.975 6.239 1.00 0.00 H new ATOM 0 HA LEU A 40 1.132 9.968 8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.381 11.371 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.680 12.204 7.814 1.00 0.00 H new ATOM 0 HG LEU A 40 2.722 10.235 6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.829 12.080 5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.222 11.717 4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.451 13.143 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.305 11.663 7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.969 12.727 8.458 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.026 11.042 9.027 1.00 0.00 H new ATOM 128 N PRO A 41 -1.191 10.567 9.758 1.00 0.00 N ATOM 129 CA PRO A 41 -2.522 10.928 10.282 1.00 0.00 C ATOM 130 C PRO A 41 -3.264 11.914 9.355 1.00 0.00 C ATOM 131 O PRO A 41 -4.423 11.695 9.028 1.00 0.00 O ATOM 132 CB PRO A 41 -2.224 11.572 11.640 1.00 0.00 C ATOM 133 CG PRO A 41 -1.014 10.793 12.129 1.00 0.00 C ATOM 134 CD PRO A 41 -0.207 10.521 10.859 1.00 0.00 C ATOM 0 HA PRO A 41 -3.178 10.061 10.356 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.007 12.636 11.543 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.067 11.479 12.324 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.436 11.367 12.853 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.309 9.866 12.620 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.574 11.269 10.721 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.286 9.550 10.906 1.00 0.00 H new ATOM 135 N ASP A 42 -2.518 12.888 8.818 1.00 0.00 N ATOM 136 CA ASP A 42 -3.044 13.881 7.875 1.00 0.00 C ATOM 137 C ASP A 42 -3.005 13.413 6.410 1.00 0.00 C ATOM 138 O ASP A 42 -2.109 13.755 5.632 1.00 0.00 O ATOM 139 CB ASP A 42 -2.351 15.240 8.087 1.00 0.00 C ATOM 140 CG ASP A 42 -0.827 15.230 7.881 1.00 0.00 C ATOM 141 OD1 ASP A 42 -0.169 14.380 8.527 1.00 0.00 O ATOM 142 OD2 ASP A 42 -0.347 16.108 7.139 1.00 0.00 O ATOM 0 H ASP A 42 -1.527 13.009 9.027 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.104 14.007 8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.790 15.966 7.403 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.564 15.586 9.099 1.00 0.00 H new ATOM 143 N GLY A 43 -3.842 12.409 6.191 1.00 0.00 N ATOM 144 CA GLY A 43 -4.219 11.896 4.862 1.00 0.00 C ATOM 145 C GLY A 43 -3.154 10.981 4.254 1.00 0.00 C ATOM 146 O GLY A 43 -3.095 9.793 4.556 1.00 0.00 O ATOM 0 H GLY A 43 -4.298 11.906 6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.158 11.349 4.942 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.396 12.736 4.190 1.00 0.00 H new ATOM 147 N THR A 44 -2.261 11.616 3.522 1.00 0.00 N ATOM 148 CA THR A 44 -1.317 10.973 2.585 1.00 0.00 C ATOM 149 C THR A 44 -0.448 9.875 3.206 1.00 0.00 C ATOM 150 O THR A 44 0.071 9.977 4.322 1.00 0.00 O ATOM 151 CB THR A 44 -0.436 12.055 1.938 1.00 0.00 C ATOM 152 OG1 THR A 44 -1.284 13.127 1.530 1.00 0.00 O ATOM 153 CG2 THR A 44 0.316 11.555 0.706 1.00 0.00 C ATOM 0 H THR A 44 -2.156 12.630 3.553 1.00 0.00 H new ATOM 0 HA THR A 44 -1.923 10.463 1.836 1.00 0.00 H new ATOM 0 HB THR A 44 0.305 12.362 2.676 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.744 13.832 1.115 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.920 12.364 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.964 10.725 0.987 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.399 11.218 -0.045 1.00 0.00 H new ATOM 154 N VAL A 45 -0.290 8.818 2.416 1.00 0.00 N ATOM 155 CA VAL A 45 0.643 7.719 2.717 1.00 0.00 C ATOM 156 C VAL A 45 1.887 7.869 1.825 1.00 0.00 C ATOM 157 O VAL A 45 1.822 8.106 0.623 1.00 0.00 O ATOM 158 CB VAL A 45 -0.003 6.335 2.504 1.00 0.00 C ATOM 159 CG1 VAL A 45 0.845 5.167 2.990 1.00 0.00 C ATOM 160 CG2 VAL A 45 -1.366 6.251 3.221 1.00 0.00 C ATOM 0 H VAL A 45 -0.804 8.692 1.544 1.00 0.00 H new ATOM 0 HA VAL A 45 0.921 7.780 3.769 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.111 6.246 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.318 4.232 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.796 5.161 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.030 5.272 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.803 5.266 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.225 6.412 4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.034 7.015 2.824 1.00 0.00 H new ATOM 161 N ASP A 46 3.007 7.570 2.459 1.00 0.00 N ATOM 162 CA ASP A 46 4.351 7.914 1.986 1.00 0.00 C ATOM 163 C ASP A 46 5.361 6.748 2.004 1.00 0.00 C ATOM 164 O ASP A 46 5.220 5.785 2.760 1.00 0.00 O ATOM 165 CB ASP A 46 4.834 9.095 2.832 1.00 0.00 C ATOM 166 CG ASP A 46 5.172 8.781 4.301 1.00 0.00 C ATOM 167 OD1 ASP A 46 6.310 8.330 4.515 1.00 0.00 O ATOM 168 OD2 ASP A 46 4.303 9.041 5.168 1.00 0.00 O ATOM 0 H ASP A 46 3.015 7.065 3.345 1.00 0.00 H new ATOM 0 HA ASP A 46 4.288 8.175 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.720 9.517 2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.065 9.867 2.814 1.00 0.00 H new ATOM 169 N GLY A 47 6.455 6.962 1.274 1.00 0.00 N ATOM 170 CA GLY A 47 7.572 5.999 1.131 1.00 0.00 C ATOM 171 C GLY A 47 8.794 6.456 1.928 1.00 0.00 C ATOM 172 O GLY A 47 9.358 7.518 1.668 1.00 0.00 O ATOM 0 H GLY A 47 6.603 7.825 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.255 5.015 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.837 5.897 0.079 1.00 0.00 H new ATOM 173 N THR A 48 9.182 5.607 2.872 1.00 0.00 N ATOM 174 CA THR A 48 10.299 5.892 3.820 1.00 0.00 C ATOM 175 C THR A 48 11.382 4.826 3.881 1.00 0.00 C ATOM 176 O THR A 48 11.151 3.673 4.257 1.00 0.00 O ATOM 177 CB THR A 48 9.783 6.230 5.227 1.00 0.00 C ATOM 178 OG1 THR A 48 10.900 6.588 6.053 1.00 0.00 O ATOM 179 CG2 THR A 48 8.995 5.074 5.873 1.00 0.00 C ATOM 0 H THR A 48 8.744 4.697 3.018 1.00 0.00 H new ATOM 0 HA THR A 48 10.786 6.772 3.400 1.00 0.00 H new ATOM 0 HB THR A 48 9.086 7.063 5.136 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.583 6.808 6.954 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.657 5.374 6.865 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.132 4.831 5.253 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.638 4.198 5.958 1.00 0.00 H new ATOM 180 N ARG A 49 12.600 5.270 3.625 1.00 0.00 N ATOM 181 CA ARG A 49 13.823 4.448 3.797 1.00 0.00 C ATOM 182 C ARG A 49 14.106 4.007 5.248 1.00 0.00 C ATOM 183 O ARG A 49 15.041 3.248 5.515 1.00 0.00 O ATOM 184 CB ARG A 49 15.057 5.113 3.167 1.00 0.00 C ATOM 185 CG ARG A 49 15.590 6.390 3.856 1.00 0.00 C ATOM 186 CD ARG A 49 14.681 7.623 3.766 1.00 0.00 C ATOM 187 NE ARG A 49 14.309 7.893 2.369 1.00 0.00 N ATOM 188 CZ ARG A 49 13.081 8.104 1.898 1.00 0.00 C ATOM 189 NH1 ARG A 49 12.082 8.474 2.695 1.00 0.00 N ATOM 190 NH2 ARG A 49 12.885 8.199 0.593 1.00 0.00 N ATOM 0 H ARG A 49 12.788 6.215 3.289 1.00 0.00 H new ATOM 0 HA ARG A 49 13.610 3.528 3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 49 15.863 4.379 3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.819 5.360 2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 49 15.765 6.167 4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.556 6.641 3.418 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.783 7.463 4.362 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.192 8.489 4.186 1.00 0.00 H new ATOM 0 HE ARG A 49 15.070 7.922 1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.247 8.603 3.693 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.151 8.629 2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.673 8.111 -0.049 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.946 8.361 0.229 1.00 0.00 H new ATOM 191 N ASP A 50 13.333 4.558 6.180 1.00 0.00 N ATOM 192 CA ASP A 50 13.399 4.180 7.603 1.00 0.00 C ATOM 193 C ASP A 50 12.114 3.462 8.013 1.00 0.00 C ATOM 194 O ASP A 50 11.018 4.013 7.912 1.00 0.00 O ATOM 195 CB ASP A 50 13.547 5.420 8.479 1.00 0.00 C ATOM 196 CG ASP A 50 14.880 6.108 8.234 1.00 0.00 C ATOM 197 OD1 ASP A 50 15.858 5.695 8.892 1.00 0.00 O ATOM 198 OD2 ASP A 50 14.888 7.023 7.377 1.00 0.00 O ATOM 0 H ASP A 50 12.641 5.280 5.978 1.00 0.00 H new ATOM 0 HA ASP A 50 14.260 3.525 7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.733 6.114 8.272 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.467 5.139 9.529 1.00 0.00 H new ATOM 199 N ARG A 51 12.299 2.274 8.576 1.00 0.00 N ATOM 200 CA ARG A 51 11.203 1.515 9.218 1.00 0.00 C ATOM 201 C ARG A 51 10.792 2.100 10.585 1.00 0.00 C ATOM 202 O ARG A 51 10.864 1.486 11.649 1.00 0.00 O ATOM 203 CB ARG A 51 11.541 0.024 9.284 1.00 0.00 C ATOM 204 CG ARG A 51 12.932 -0.291 9.831 1.00 0.00 C ATOM 205 CD ARG A 51 13.010 -1.774 10.201 1.00 0.00 C ATOM 206 NE ARG A 51 12.154 -1.990 11.371 1.00 0.00 N ATOM 207 CZ ARG A 51 12.190 -3.030 12.196 1.00 0.00 C ATOM 208 NH1 ARG A 51 12.846 -4.138 11.886 1.00 0.00 N ATOM 209 NH2 ARG A 51 11.447 -3.010 13.301 1.00 0.00 N ATOM 0 H ARG A 51 13.203 1.802 8.607 1.00 0.00 H new ATOM 0 HA ARG A 51 10.319 1.619 8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.799 -0.476 9.906 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.455 -0.399 8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.691 -0.051 9.086 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.138 0.325 10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.680 -2.394 9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.039 -2.059 10.423 1.00 0.00 H new ATOM 0 HE ARG A 51 11.461 -1.269 11.572 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.339 -4.207 10.996 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.858 -4.923 12.538 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.859 -2.202 13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.466 -3.803 13.943 1.00 0.00 H new ATOM 210 N SER A 52 10.283 3.324 10.479 1.00 0.00 N ATOM 211 CA SER A 52 9.711 4.122 11.569 1.00 0.00 C ATOM 212 C SER A 52 8.271 3.657 11.822 1.00 0.00 C ATOM 213 O SER A 52 7.265 4.236 11.389 1.00 0.00 O ATOM 214 CB SER A 52 9.745 5.612 11.234 1.00 0.00 C ATOM 215 OG SER A 52 11.099 6.035 11.045 1.00 0.00 O ATOM 0 H SER A 52 10.255 3.815 9.586 1.00 0.00 H new ATOM 0 HA SER A 52 10.306 3.977 12.471 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.165 5.805 10.332 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.284 6.186 12.038 1.00 0.00 H new ATOM 0 HG SER A 52 11.116 6.991 10.829 1.00 0.00 H new ATOM 216 N ASP A 53 8.259 2.526 12.514 1.00 0.00 N ATOM 217 CA ASP A 53 7.048 1.763 12.900 1.00 0.00 C ATOM 218 C ASP A 53 6.070 2.397 13.909 1.00 0.00 C ATOM 219 O ASP A 53 5.283 1.735 14.578 1.00 0.00 O ATOM 220 CB ASP A 53 7.416 0.320 13.307 1.00 0.00 C ATOM 221 CG ASP A 53 8.544 0.248 14.338 1.00 0.00 C ATOM 222 OD1 ASP A 53 8.392 0.843 15.425 1.00 0.00 O ATOM 223 OD2 ASP A 53 9.596 -0.301 13.949 1.00 0.00 O ATOM 0 H ASP A 53 9.119 2.086 12.842 1.00 0.00 H new ATOM 0 HA ASP A 53 6.461 1.775 11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.532 -0.172 13.712 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.711 -0.236 12.417 1.00 0.00 H new ATOM 224 N GLN A 54 6.269 3.685 14.082 1.00 0.00 N ATOM 225 CA GLN A 54 5.320 4.624 14.711 1.00 0.00 C ATOM 226 C GLN A 54 4.156 4.889 13.765 1.00 0.00 C ATOM 227 O GLN A 54 3.006 4.886 14.200 1.00 0.00 O ATOM 228 CB GLN A 54 6.041 5.956 14.965 1.00 0.00 C ATOM 229 CG GLN A 54 7.100 5.869 16.063 1.00 0.00 C ATOM 230 CD GLN A 54 8.396 5.119 15.677 1.00 0.00 C ATOM 231 OE1 GLN A 54 8.675 4.717 14.563 1.00 0.00 O ATOM 232 NE2 GLN A 54 9.297 5.015 16.607 1.00 0.00 N ATOM 0 H GLN A 54 7.129 4.143 13.781 1.00 0.00 H new ATOM 0 HA GLN A 54 4.952 4.196 15.643 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.513 6.288 14.040 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.306 6.713 15.238 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.364 6.881 16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.660 5.377 16.930 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.095 5.342 17.552 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.206 4.606 16.393 1.00 0.00 H new ATOM 233 N HIS A 55 4.473 5.004 12.478 1.00 0.00 N ATOM 234 CA HIS A 55 3.483 5.249 11.414 1.00 0.00 C ATOM 235 C HIS A 55 3.278 4.037 10.488 1.00 0.00 C ATOM 236 O HIS A 55 2.235 3.892 9.871 1.00 0.00 O ATOM 237 CB HIS A 55 3.912 6.455 10.575 1.00 0.00 C ATOM 238 CG HIS A 55 3.968 7.783 11.329 1.00 0.00 C ATOM 239 ND1 HIS A 55 4.871 8.739 11.138 1.00 0.00 N ATOM 240 CD2 HIS A 55 3.116 8.192 12.265 1.00 0.00 C ATOM 241 CE1 HIS A 55 4.592 9.743 11.964 1.00 0.00 C ATOM 242 NE2 HIS A 55 3.513 9.397 12.665 1.00 0.00 N ATOM 0 H HIS A 55 5.430 4.930 12.134 1.00 0.00 H new ATOM 0 HA HIS A 55 2.532 5.442 11.911 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.897 6.253 10.153 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.222 6.559 9.738 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.260 7.646 12.633 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.140 10.670 12.051 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.066 9.962 13.387 1.00 0.00 H new ATOM 243 N ILE A 56 4.340 3.251 10.282 1.00 0.00 N ATOM 244 CA ILE A 56 4.186 1.920 9.676 1.00 0.00 C ATOM 245 C ILE A 56 3.824 0.879 10.749 1.00 0.00 C ATOM 246 O ILE A 56 4.665 0.254 11.385 1.00 0.00 O ATOM 247 CB ILE A 56 5.348 1.607 8.712 1.00 0.00 C ATOM 248 CG1 ILE A 56 5.170 0.207 8.150 1.00 0.00 C ATOM 249 CG2 ILE A 56 6.762 1.824 9.249 1.00 0.00 C ATOM 250 CD1 ILE A 56 5.657 0.180 6.714 1.00 0.00 C ATOM 0 H ILE A 56 5.299 3.505 10.520 1.00 0.00 H new ATOM 0 HA ILE A 56 3.326 1.885 9.007 1.00 0.00 H new ATOM 0 HB ILE A 56 5.277 2.356 7.924 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.728 -0.512 8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.121 -0.086 8.196 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.488 1.569 8.477 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.887 2.869 9.533 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.922 1.189 10.121 1.00 0.00 H new ATOM 0 HD11 ILE A 56 5.531 -0.823 6.306 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.079 0.888 6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.711 0.455 6.682 1.00 0.00 H new ATOM 251 N GLN A 57 2.583 1.105 11.163 1.00 0.00 N ATOM 252 CA GLN A 57 1.807 0.210 12.037 1.00 0.00 C ATOM 253 C GLN A 57 0.452 -0.029 11.360 1.00 0.00 C ATOM 254 O GLN A 57 -0.472 0.781 11.443 1.00 0.00 O ATOM 255 CB GLN A 57 1.633 0.824 13.423 1.00 0.00 C ATOM 256 CG GLN A 57 1.296 -0.289 14.406 1.00 0.00 C ATOM 257 CD GLN A 57 0.867 0.194 15.793 1.00 0.00 C ATOM 258 OE1 GLN A 57 -0.203 -0.163 16.289 1.00 0.00 O ATOM 259 NE2 GLN A 57 1.644 1.045 16.419 1.00 0.00 N ATOM 0 H GLN A 57 2.065 1.942 10.895 1.00 0.00 H new ATOM 0 HA GLN A 57 2.328 -0.737 12.178 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.546 1.335 13.728 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.839 1.571 13.410 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.496 -0.898 13.985 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.166 -0.936 14.514 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.528 1.333 15.999 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.365 1.419 17.326 1.00 0.00 H new ATOM 260 N LEU A 58 0.425 -1.134 10.626 1.00 0.00 N ATOM 261 CA LEU A 58 -0.692 -1.499 9.733 1.00 0.00 C ATOM 262 C LEU A 58 -1.247 -2.907 9.976 1.00 0.00 C ATOM 263 O LEU A 58 -0.586 -3.744 10.587 1.00 0.00 O ATOM 264 CB LEU A 58 -0.296 -1.287 8.263 1.00 0.00 C ATOM 265 CG LEU A 58 0.979 -2.054 7.855 1.00 0.00 C ATOM 266 CD1 LEU A 58 0.649 -3.130 6.834 1.00 0.00 C ATOM 267 CD2 LEU A 58 1.942 -1.043 7.234 1.00 0.00 C ATOM 0 H LEU A 58 1.182 -1.817 10.627 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.515 -0.826 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.121 -1.602 7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.143 -0.222 8.086 1.00 0.00 H new ATOM 0 HG LEU A 58 1.422 -2.537 8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.560 -3.661 6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.064 -3.833 7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.214 -2.669 5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.858 -1.551 6.932 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.476 -0.586 6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.179 -0.270 7.965 1.00 0.00 H new ATOM 268 N GLN A 59 -2.495 -3.086 9.570 1.00 0.00 N ATOM 269 CA GLN A 59 -3.211 -4.364 9.759 1.00 0.00 C ATOM 270 C GLN A 59 -3.806 -4.817 8.435 1.00 0.00 C ATOM 271 O GLN A 59 -4.527 -4.062 7.786 1.00 0.00 O ATOM 272 CB GLN A 59 -4.316 -4.155 10.795 1.00 0.00 C ATOM 273 CG GLN A 59 -4.655 -5.441 11.557 1.00 0.00 C ATOM 274 CD GLN A 59 -3.450 -5.951 12.360 1.00 0.00 C ATOM 275 OE1 GLN A 59 -2.660 -6.780 11.920 1.00 0.00 O ATOM 276 NE2 GLN A 59 -3.264 -5.438 13.561 1.00 0.00 N ATOM 0 H GLN A 59 -3.046 -2.365 9.104 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.523 -5.133 10.110 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.005 -3.387 11.504 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.212 -3.785 10.297 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.491 -5.256 12.231 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.976 -6.209 10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.920 -4.749 13.928 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.464 -5.731 14.122 1.00 0.00 H new ATOM 277 N LEU A 60 -3.451 -6.024 8.015 1.00 0.00 N ATOM 278 CA LEU A 60 -3.962 -6.597 6.761 1.00 0.00 C ATOM 279 C LEU A 60 -5.214 -7.449 6.944 1.00 0.00 C ATOM 280 O LEU A 60 -5.223 -8.680 6.845 1.00 0.00 O ATOM 281 CB LEU A 60 -2.858 -7.363 6.002 1.00 0.00 C ATOM 282 CG LEU A 60 -1.804 -6.424 5.426 1.00 0.00 C ATOM 283 CD1 LEU A 60 -0.532 -6.466 6.287 1.00 0.00 C ATOM 284 CD2 LEU A 60 -1.447 -6.877 4.008 1.00 0.00 C ATOM 0 H LEU A 60 -2.809 -6.633 8.522 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.270 -5.750 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.381 -8.074 6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.308 -7.942 5.195 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.203 -5.410 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.214 -5.792 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.771 -6.155 7.304 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.136 -7.481 6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.693 -6.209 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.054 -7.893 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.339 -6.852 3.383 1.00 0.00 H new ATOM 285 N SER A 61 -6.320 -6.717 6.893 1.00 0.00 N ATOM 286 CA SER A 61 -7.624 -7.244 7.324 1.00 0.00 C ATOM 287 C SER A 61 -8.491 -7.604 6.110 1.00 0.00 C ATOM 288 O SER A 61 -9.189 -6.763 5.528 1.00 0.00 O ATOM 289 CB SER A 61 -8.283 -6.196 8.213 1.00 0.00 C ATOM 290 OG SER A 61 -9.458 -6.762 8.804 1.00 0.00 O ATOM 0 H SER A 61 -6.348 -5.754 6.558 1.00 0.00 H new ATOM 0 HA SER A 61 -7.498 -8.165 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.590 -5.870 8.989 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.543 -5.314 7.627 1.00 0.00 H new ATOM 0 HG SER A 61 -9.888 -6.095 9.379 1.00 0.00 H new ATOM 291 N ALA A 62 -8.072 -8.695 5.504 1.00 0.00 N ATOM 292 CA ALA A 62 -8.842 -9.362 4.431 1.00 0.00 C ATOM 293 C ALA A 62 -10.313 -9.589 4.777 1.00 0.00 C ATOM 294 O ALA A 62 -10.671 -10.193 5.794 1.00 0.00 O ATOM 295 CB ALA A 62 -8.170 -10.684 4.047 1.00 0.00 C ATOM 0 H ALA A 62 -7.191 -9.158 5.728 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.838 -8.681 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.744 -11.168 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.158 -10.488 3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.129 -11.338 4.918 1.00 0.00 H new ATOM 296 N GLU A 63 -11.122 -8.876 4.004 1.00 0.00 N ATOM 297 CA GLU A 63 -12.580 -9.003 4.000 1.00 0.00 C ATOM 298 C GLU A 63 -13.034 -10.294 3.283 1.00 0.00 C ATOM 299 O GLU A 63 -14.056 -10.889 3.589 1.00 0.00 O ATOM 300 CB GLU A 63 -13.130 -7.782 3.258 1.00 0.00 C ATOM 301 CG GLU A 63 -14.658 -7.730 3.210 1.00 0.00 C ATOM 302 CD GLU A 63 -15.144 -6.711 2.181 1.00 0.00 C ATOM 303 OE1 GLU A 63 -15.022 -7.029 0.976 1.00 0.00 O ATOM 304 OE2 GLU A 63 -15.602 -5.639 2.628 1.00 0.00 O ATOM 0 H GLU A 63 -10.778 -8.176 3.346 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.951 -9.056 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.759 -6.877 3.740 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.743 -7.782 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.050 -8.716 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.047 -7.470 4.195 1.00 0.00 H new ATOM 305 N SER A 64 -12.258 -10.593 2.251 1.00 0.00 N ATOM 306 CA SER A 64 -12.449 -11.712 1.307 1.00 0.00 C ATOM 307 C SER A 64 -11.206 -11.818 0.415 1.00 0.00 C ATOM 308 O SER A 64 -10.241 -11.071 0.582 1.00 0.00 O ATOM 309 CB SER A 64 -13.711 -11.473 0.464 1.00 0.00 C ATOM 310 OG SER A 64 -13.524 -10.374 -0.436 1.00 0.00 O ATOM 0 H SER A 64 -11.431 -10.039 2.028 1.00 0.00 H new ATOM 0 HA SER A 64 -12.580 -12.647 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.952 -12.374 -0.101 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.558 -11.271 1.119 1.00 0.00 H new ATOM 0 HG SER A 64 -14.339 -10.241 -0.964 1.00 0.00 H new ATOM 311 N VAL A 65 -11.235 -12.812 -0.473 1.00 0.00 N ATOM 312 CA VAL A 65 -10.235 -13.192 -1.493 1.00 0.00 C ATOM 313 C VAL A 65 -9.302 -12.052 -1.898 1.00 0.00 C ATOM 314 O VAL A 65 -9.702 -11.085 -2.547 1.00 0.00 O ATOM 315 CB VAL A 65 -10.925 -13.816 -2.727 1.00 0.00 C ATOM 316 CG1 VAL A 65 -9.919 -14.332 -3.760 1.00 0.00 C ATOM 317 CG2 VAL A 65 -11.841 -14.993 -2.341 1.00 0.00 C ATOM 0 H VAL A 65 -12.038 -13.440 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.595 -13.941 -1.026 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.514 -13.008 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.455 -14.761 -4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.296 -13.507 -4.105 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.289 -15.096 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.306 -15.402 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -11.251 -15.768 -1.853 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.616 -14.643 -1.659 1.00 0.00 H new ATOM 318 N GLY A 66 -8.204 -12.076 -1.152 1.00 0.00 N ATOM 319 CA GLY A 66 -6.998 -11.235 -1.335 1.00 0.00 C ATOM 320 C GLY A 66 -7.130 -9.769 -0.890 1.00 0.00 C ATOM 321 O GLY A 66 -6.151 -9.154 -0.485 1.00 0.00 O ATOM 0 H GLY A 66 -8.113 -12.711 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.174 -11.689 -0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.723 -11.251 -2.390 1.00 0.00 H new ATOM 322 N GLU A 67 -8.298 -9.196 -1.144 1.00 0.00 N ATOM 323 CA GLU A 67 -8.661 -7.794 -0.843 1.00 0.00 C ATOM 324 C GLU A 67 -8.614 -7.478 0.658 1.00 0.00 C ATOM 325 O GLU A 67 -9.510 -7.757 1.458 1.00 0.00 O ATOM 326 CB GLU A 67 -9.972 -7.395 -1.529 1.00 0.00 C ATOM 327 CG GLU A 67 -11.170 -8.295 -1.195 1.00 0.00 C ATOM 328 CD GLU A 67 -12.387 -7.993 -2.060 1.00 0.00 C ATOM 329 OE1 GLU A 67 -12.322 -8.241 -3.292 1.00 0.00 O ATOM 330 OE2 GLU A 67 -13.380 -7.505 -1.466 1.00 0.00 O ATOM 0 H GLU A 67 -9.062 -9.708 -1.585 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.892 -7.155 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.216 -6.370 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.819 -7.403 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.884 -9.338 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.434 -8.168 -0.145 1.00 0.00 H new ATOM 331 N VAL A 68 -7.457 -6.923 0.976 1.00 0.00 N ATOM 332 CA VAL A 68 -7.088 -6.557 2.354 1.00 0.00 C ATOM 333 C VAL A 68 -7.339 -5.078 2.645 1.00 0.00 C ATOM 334 O VAL A 68 -6.986 -4.188 1.865 1.00 0.00 O ATOM 335 CB VAL A 68 -5.662 -6.950 2.761 1.00 0.00 C ATOM 336 CG1 VAL A 68 -5.440 -8.457 2.795 1.00 0.00 C ATOM 337 CG2 VAL A 68 -4.559 -6.310 1.895 1.00 0.00 C ATOM 0 H VAL A 68 -6.735 -6.708 0.289 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.754 -7.156 2.975 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.576 -6.551 3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.412 -8.667 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.123 -8.909 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.626 -8.875 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.582 -6.639 2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.690 -6.613 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.624 -5.224 1.967 1.00 0.00 H new ATOM 338 N TYR A 69 -8.098 -4.910 3.703 1.00 0.00 N ATOM 339 CA TYR A 69 -8.296 -3.616 4.380 1.00 0.00 C ATOM 340 C TYR A 69 -7.069 -3.354 5.241 1.00 0.00 C ATOM 341 O TYR A 69 -6.835 -4.066 6.215 1.00 0.00 O ATOM 342 CB TYR A 69 -9.523 -3.640 5.297 1.00 0.00 C ATOM 343 CG TYR A 69 -10.847 -3.573 4.561 1.00 0.00 C ATOM 344 CD1 TYR A 69 -11.083 -2.466 3.711 1.00 0.00 C ATOM 345 CD2 TYR A 69 -11.872 -4.480 4.912 1.00 0.00 C ATOM 346 CE1 TYR A 69 -12.385 -2.255 3.221 1.00 0.00 C ATOM 347 CE2 TYR A 69 -13.177 -4.255 4.423 1.00 0.00 C ATOM 348 CZ TYR A 69 -13.410 -3.148 3.582 1.00 0.00 C ATOM 349 OH TYR A 69 -14.675 -2.851 3.185 1.00 0.00 O ATOM 0 H TYR A 69 -8.613 -5.675 4.139 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.446 -2.844 3.625 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.498 -4.550 5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.462 -2.801 5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.279 -1.796 3.444 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.661 -5.330 5.543 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -12.595 -1.416 2.574 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -13.985 -4.921 4.689 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.142 -3.676 2.937 1.00 0.00 H new ATOM 350 N ILE A 70 -6.201 -2.513 4.711 1.00 0.00 N ATOM 351 CA ILE A 70 -4.968 -2.170 5.448 1.00 0.00 C ATOM 352 C ILE A 70 -5.231 -1.059 6.456 1.00 0.00 C ATOM 353 O ILE A 70 -5.001 0.125 6.247 1.00 0.00 O ATOM 354 CB ILE A 70 -3.805 -1.915 4.484 1.00 0.00 C ATOM 355 CG1 ILE A 70 -3.613 -3.122 3.544 1.00 0.00 C ATOM 356 CG2 ILE A 70 -2.513 -1.553 5.237 1.00 0.00 C ATOM 357 CD1 ILE A 70 -2.659 -2.904 2.359 1.00 0.00 C ATOM 0 H ILE A 70 -6.307 -2.060 3.803 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.649 -3.023 6.047 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.053 -1.051 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.244 -3.962 4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.588 -3.412 3.152 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.711 -1.379 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.676 -0.650 5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.236 -2.373 5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.600 -3.817 1.766 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.032 -2.091 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.667 -2.649 2.732 1.00 0.00 H new ATOM 358 N LYS A 71 -5.814 -1.512 7.549 1.00 0.00 N ATOM 359 CA LYS A 71 -6.191 -0.698 8.700 1.00 0.00 C ATOM 360 C LYS A 71 -4.914 -0.309 9.438 1.00 0.00 C ATOM 361 O LYS A 71 -4.246 -1.119 10.079 1.00 0.00 O ATOM 362 CB LYS A 71 -7.075 -1.567 9.583 1.00 0.00 C ATOM 363 CG LYS A 71 -7.893 -0.733 10.570 1.00 0.00 C ATOM 364 CD LYS A 71 -7.213 -0.608 11.930 1.00 0.00 C ATOM 365 CE LYS A 71 -8.126 0.181 12.864 1.00 0.00 C ATOM 366 NZ LYS A 71 -7.600 0.089 14.231 1.00 0.00 N ATOM 0 H LYS A 71 -6.050 -2.497 7.669 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.725 0.208 8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.749 -2.153 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.455 -2.275 10.133 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.054 0.262 10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.875 -1.187 10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.012 -1.596 12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.252 -0.104 11.827 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.178 1.223 12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.141 -0.215 12.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.391 0.062 14.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.033 -0.777 14.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.004 0.917 14.430 1.00 0.00 H new ATOM 367 N SER A 72 -4.643 0.973 9.420 1.00 0.00 N ATOM 368 CA SER A 72 -3.493 1.558 10.109 1.00 0.00 C ATOM 369 C SER A 72 -3.849 1.756 11.582 1.00 0.00 C ATOM 370 O SER A 72 -4.483 2.726 11.992 1.00 0.00 O ATOM 371 CB SER A 72 -3.022 2.828 9.428 1.00 0.00 C ATOM 372 OG SER A 72 -2.156 3.546 10.310 1.00 0.00 O ATOM 0 H SER A 72 -5.215 1.657 8.924 1.00 0.00 H new ATOM 0 HA SER A 72 -2.643 0.878 10.057 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.498 2.585 8.504 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.877 3.447 9.156 1.00 0.00 H new ATOM 0 HG SER A 72 -2.622 4.337 10.654 1.00 0.00 H new ATOM 373 N THR A 73 -3.782 0.592 12.214 1.00 0.00 N ATOM 374 CA THR A 73 -3.877 0.355 13.671 1.00 0.00 C ATOM 375 C THR A 73 -3.238 1.394 14.608 1.00 0.00 C ATOM 376 O THR A 73 -3.598 1.472 15.783 1.00 0.00 O ATOM 377 CB THR A 73 -3.512 -1.112 14.024 1.00 0.00 C ATOM 378 OG1 THR A 73 -3.315 -1.298 15.428 1.00 0.00 O ATOM 379 CG2 THR A 73 -2.354 -1.721 13.217 1.00 0.00 C ATOM 0 H THR A 73 -3.651 -0.278 11.699 1.00 0.00 H new ATOM 0 HA THR A 73 -4.932 0.516 13.890 1.00 0.00 H new ATOM 0 HB THR A 73 -4.393 -1.675 13.716 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.089 -2.235 15.605 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.183 -2.747 13.544 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.607 -1.715 12.157 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.450 -1.134 13.378 1.00 0.00 H new ATOM 380 N GLU A 74 -2.427 2.296 14.062 1.00 0.00 N ATOM 381 CA GLU A 74 -1.852 3.429 14.819 1.00 0.00 C ATOM 382 C GLU A 74 -2.857 4.591 14.976 1.00 0.00 C ATOM 383 O GLU A 74 -3.010 5.180 16.040 1.00 0.00 O ATOM 384 CB GLU A 74 -0.638 3.970 14.076 1.00 0.00 C ATOM 385 CG GLU A 74 0.182 4.819 15.058 1.00 0.00 C ATOM 386 CD GLU A 74 0.573 6.212 14.550 1.00 0.00 C ATOM 387 OE1 GLU A 74 0.464 6.479 13.325 1.00 0.00 O ATOM 388 OE2 GLU A 74 1.001 7.008 15.411 1.00 0.00 O ATOM 0 H GLU A 74 -2.143 2.271 13.083 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.586 3.053 15.807 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.035 3.151 13.685 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.951 4.571 13.222 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.389 4.933 15.979 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.091 4.274 15.312 1.00 0.00 H new ATOM 389 N THR A 75 -3.357 4.979 13.819 1.00 0.00 N ATOM 390 CA THR A 75 -4.147 6.210 13.605 1.00 0.00 C ATOM 391 C THR A 75 -5.661 5.905 13.649 1.00 0.00 C ATOM 392 O THR A 75 -6.478 6.808 13.825 1.00 0.00 O ATOM 393 CB THR A 75 -3.824 6.865 12.260 1.00 0.00 C ATOM 394 OG1 THR A 75 -4.085 5.988 11.162 1.00 0.00 O ATOM 395 CG2 THR A 75 -2.375 7.367 12.214 1.00 0.00 C ATOM 0 H THR A 75 -3.229 4.439 12.963 1.00 0.00 H new ATOM 0 HA THR A 75 -3.880 6.896 14.409 1.00 0.00 H new ATOM 0 HB THR A 75 -4.487 7.725 12.163 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.314 6.516 10.369 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.180 7.826 11.245 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.220 8.103 13.003 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.695 6.528 12.362 1.00 0.00 H new ATOM 396 N GLY A 76 -5.969 4.664 13.295 1.00 0.00 N ATOM 397 CA GLY A 76 -7.332 4.107 13.221 1.00 0.00 C ATOM 398 C GLY A 76 -7.937 4.137 11.803 1.00 0.00 C ATOM 399 O GLY A 76 -9.067 3.691 11.605 1.00 0.00 O ATOM 0 H GLY A 76 -5.254 3.983 13.039 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.314 3.077 13.577 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.981 4.666 13.895 1.00 0.00 H new ATOM 400 N GLN A 77 -7.088 4.418 10.825 1.00 0.00 N ATOM 401 CA GLN A 77 -7.499 4.699 9.436 1.00 0.00 C ATOM 402 C GLN A 77 -7.122 3.564 8.484 1.00 0.00 C ATOM 403 O GLN A 77 -6.001 3.081 8.495 1.00 0.00 O ATOM 404 CB GLN A 77 -6.768 5.939 8.906 1.00 0.00 C ATOM 405 CG GLN A 77 -7.033 7.218 9.705 1.00 0.00 C ATOM 406 CD GLN A 77 -5.920 8.230 9.445 1.00 0.00 C ATOM 407 OE1 GLN A 77 -4.738 7.908 9.305 1.00 0.00 O ATOM 408 NE2 GLN A 77 -6.273 9.486 9.430 1.00 0.00 N ATOM 0 H GLN A 77 -6.078 4.460 10.965 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.580 4.833 9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.696 5.741 8.905 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.063 6.105 7.870 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.996 7.642 9.421 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.087 6.988 10.769 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.254 9.742 9.547 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.568 10.212 9.302 1.00 0.00 H new ATOM 409 N TYR A 78 -7.998 3.343 7.519 1.00 0.00 N ATOM 410 CA TYR A 78 -7.824 2.335 6.454 1.00 0.00 C ATOM 411 C TYR A 78 -7.044 2.942 5.288 1.00 0.00 C ATOM 412 O TYR A 78 -7.324 4.064 4.860 1.00 0.00 O ATOM 413 CB TYR A 78 -9.207 1.893 5.968 1.00 0.00 C ATOM 414 CG TYR A 78 -10.002 1.167 7.052 1.00 0.00 C ATOM 415 CD1 TYR A 78 -10.667 1.902 8.065 1.00 0.00 C ATOM 416 CD2 TYR A 78 -9.980 -0.242 7.049 1.00 0.00 C ATOM 417 CE1 TYR A 78 -11.305 1.210 9.106 1.00 0.00 C ATOM 418 CE2 TYR A 78 -10.651 -0.933 8.073 1.00 0.00 C ATOM 419 CZ TYR A 78 -11.299 -0.195 9.089 1.00 0.00 C ATOM 420 OH TYR A 78 -12.042 -0.875 10.004 1.00 0.00 O ATOM 0 H TYR A 78 -8.872 3.863 7.441 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.272 1.479 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.768 2.766 5.634 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.093 1.238 5.105 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.683 2.982 8.036 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.457 -0.782 6.274 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.792 1.748 9.906 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.671 -2.013 8.083 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.934 -1.839 9.862 1.00 0.00 H new ATOM 421 N LEU A 79 -6.035 2.206 4.853 1.00 0.00 N ATOM 422 CA LEU A 79 -5.318 2.524 3.606 1.00 0.00 C ATOM 423 C LEU A 79 -6.303 2.452 2.449 1.00 0.00 C ATOM 424 O LEU A 79 -7.150 1.570 2.414 1.00 0.00 O ATOM 425 CB LEU A 79 -4.206 1.480 3.453 1.00 0.00 C ATOM 426 CG LEU A 79 -3.020 2.008 2.646 1.00 0.00 C ATOM 427 CD1 LEU A 79 -2.170 2.902 3.547 1.00 0.00 C ATOM 428 CD2 LEU A 79 -2.155 0.859 2.157 1.00 0.00 C ATOM 0 H LEU A 79 -5.685 1.380 5.338 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.885 3.524 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.862 1.172 4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.609 0.593 2.964 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.397 2.565 1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.320 3.285 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.773 3.736 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.809 2.324 4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.316 1.254 1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.779 0.297 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.749 0.201 1.523 1.00 0.00 H new ATOM 429 N ALA A 80 -6.289 3.540 1.689 1.00 0.00 N ATOM 430 CA ALA A 80 -7.354 3.838 0.717 1.00 0.00 C ATOM 431 C ALA A 80 -6.797 4.561 -0.507 1.00 0.00 C ATOM 432 O ALA A 80 -5.963 5.451 -0.376 1.00 0.00 O ATOM 433 CB ALA A 80 -8.356 4.742 1.416 1.00 0.00 C ATOM 0 H ALA A 80 -5.549 4.241 1.722 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.813 2.910 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.165 4.988 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.763 4.229 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.859 5.658 1.734 1.00 0.00 H new ATOM 434 N MET A 81 -7.263 4.118 -1.660 1.00 0.00 N ATOM 435 CA MET A 81 -6.807 4.708 -2.936 1.00 0.00 C ATOM 436 C MET A 81 -7.840 5.633 -3.577 1.00 0.00 C ATOM 437 O MET A 81 -9.003 5.288 -3.770 1.00 0.00 O ATOM 438 CB MET A 81 -6.468 3.558 -3.892 1.00 0.00 C ATOM 439 CG MET A 81 -5.638 4.054 -5.071 1.00 0.00 C ATOM 440 SD MET A 81 -6.389 3.732 -6.708 1.00 0.00 S ATOM 441 CE MET A 81 -5.401 2.358 -7.224 1.00 0.00 C ATOM 0 H MET A 81 -7.945 3.366 -1.755 1.00 0.00 H new ATOM 0 HA MET A 81 -5.935 5.329 -2.731 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.918 2.785 -3.356 1.00 0.00 H new ATOM 0 HB3 MET A 81 -7.388 3.101 -4.257 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.478 5.127 -4.962 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.657 3.580 -5.035 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.983 1.721 -7.890 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.518 2.722 -7.749 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.093 1.783 -6.351 1.00 0.00 H new ATOM 442 N ASP A 82 -7.361 6.838 -3.862 1.00 0.00 N ATOM 443 CA ASP A 82 -8.056 7.819 -4.712 1.00 0.00 C ATOM 444 C ASP A 82 -7.705 7.554 -6.183 1.00 0.00 C ATOM 445 O ASP A 82 -6.613 7.068 -6.469 1.00 0.00 O ATOM 446 CB ASP A 82 -7.624 9.216 -4.263 1.00 0.00 C ATOM 447 CG ASP A 82 -8.765 10.245 -4.363 1.00 0.00 C ATOM 448 OD1 ASP A 82 -9.254 10.423 -5.503 1.00 0.00 O ATOM 449 OD2 ASP A 82 -9.099 10.824 -3.310 1.00 0.00 O ATOM 0 H ASP A 82 -6.466 7.174 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.139 7.737 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.269 9.170 -3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.785 9.548 -4.875 1.00 0.00 H new ATOM 450 N THR A 83 -8.517 8.111 -7.066 1.00 0.00 N ATOM 451 CA THR A 83 -8.482 8.023 -8.551 1.00 0.00 C ATOM 452 C THR A 83 -7.358 8.782 -9.271 1.00 0.00 C ATOM 453 O THR A 83 -7.398 9.040 -10.474 1.00 0.00 O ATOM 454 CB THR A 83 -9.821 8.495 -9.101 1.00 0.00 C ATOM 455 OG1 THR A 83 -10.155 9.743 -8.480 1.00 0.00 O ATOM 456 CG2 THR A 83 -10.913 7.441 -8.873 1.00 0.00 C ATOM 0 H THR A 83 -9.294 8.693 -6.753 1.00 0.00 H new ATOM 0 HA THR A 83 -8.274 6.973 -8.755 1.00 0.00 H new ATOM 0 HB THR A 83 -9.747 8.639 -10.179 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.015 10.061 -8.826 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.859 7.804 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.636 6.515 -9.377 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.021 7.254 -7.805 1.00 0.00 H new ATOM 457 N ASP A 84 -6.334 9.051 -8.490 1.00 0.00 N ATOM 458 CA ASP A 84 -4.989 9.425 -8.974 1.00 0.00 C ATOM 459 C ASP A 84 -3.910 8.445 -8.455 1.00 0.00 C ATOM 460 O ASP A 84 -2.724 8.749 -8.374 1.00 0.00 O ATOM 461 CB ASP A 84 -4.644 10.834 -8.482 1.00 0.00 C ATOM 462 CG ASP A 84 -5.548 11.903 -9.108 1.00 0.00 C ATOM 463 OD1 ASP A 84 -5.173 12.415 -10.178 1.00 0.00 O ATOM 464 OD2 ASP A 84 -6.586 12.194 -8.471 1.00 0.00 O ATOM 0 H ASP A 84 -6.398 9.020 -7.472 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.003 9.388 -10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.738 10.871 -7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.604 11.056 -8.720 1.00 0.00 H new ATOM 465 N GLY A 85 -4.392 7.244 -8.157 1.00 0.00 N ATOM 466 CA GLY A 85 -3.703 6.195 -7.360 1.00 0.00 C ATOM 467 C GLY A 85 -3.061 6.751 -6.081 1.00 0.00 C ATOM 468 O GLY A 85 -1.945 6.395 -5.723 1.00 0.00 O ATOM 0 H GLY A 85 -5.315 6.946 -8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.419 5.417 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.934 5.725 -7.973 1.00 0.00 H new ATOM 469 N LEU A 86 -3.836 7.560 -5.370 1.00 0.00 N ATOM 470 CA LEU A 86 -3.293 8.298 -4.220 1.00 0.00 C ATOM 471 C LEU A 86 -3.780 7.671 -2.930 1.00 0.00 C ATOM 472 O LEU A 86 -4.989 7.649 -2.644 1.00 0.00 O ATOM 473 CB LEU A 86 -3.658 9.781 -4.329 1.00 0.00 C ATOM 474 CG LEU A 86 -2.858 10.632 -3.337 1.00 0.00 C ATOM 475 CD1 LEU A 86 -2.598 12.008 -3.959 1.00 0.00 C ATOM 476 CD2 LEU A 86 -3.564 10.779 -1.982 1.00 0.00 C ATOM 0 H LEU A 86 -4.825 7.725 -5.558 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.205 8.236 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.468 10.130 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.724 9.909 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.915 10.123 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.029 12.621 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.031 11.889 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.549 12.494 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.953 11.391 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.533 11.256 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.708 9.794 -1.538 1.00 0.00 H new ATOM 477 N LEU A 87 -2.826 7.067 -2.249 1.00 0.00 N ATOM 478 CA LEU A 87 -3.083 6.501 -0.914 1.00 0.00 C ATOM 479 C LEU A 87 -3.094 7.518 0.205 1.00 0.00 C ATOM 480 O LEU A 87 -2.213 8.352 0.402 1.00 0.00 O ATOM 481 CB LEU A 87 -2.124 5.377 -0.526 1.00 0.00 C ATOM 482 CG LEU A 87 -2.289 4.106 -1.371 1.00 0.00 C ATOM 483 CD1 LEU A 87 -1.157 3.120 -1.078 1.00 0.00 C ATOM 484 CD2 LEU A 87 -3.616 3.420 -1.063 1.00 0.00 C ATOM 0 H LEU A 87 -1.870 6.950 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.088 6.095 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.099 5.736 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.277 5.127 0.524 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.264 4.402 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.289 2.224 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.200 3.583 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.175 2.849 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.712 2.522 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.648 3.147 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.438 4.100 -1.287 1.00 0.00 H new ATOM 485 N TYR A 88 -4.244 7.426 0.840 1.00 0.00 N ATOM 486 CA TYR A 88 -4.626 8.205 2.027 1.00 0.00 C ATOM 487 C TYR A 88 -5.218 7.319 3.135 1.00 0.00 C ATOM 488 O TYR A 88 -5.646 6.183 2.895 1.00 0.00 O ATOM 489 CB TYR A 88 -5.594 9.353 1.666 1.00 0.00 C ATOM 490 CG TYR A 88 -6.918 8.890 1.040 1.00 0.00 C ATOM 491 CD1 TYR A 88 -6.922 8.531 -0.315 1.00 0.00 C ATOM 492 CD2 TYR A 88 -8.079 8.791 1.847 1.00 0.00 C ATOM 493 CE1 TYR A 88 -8.096 8.014 -0.881 1.00 0.00 C ATOM 494 CE2 TYR A 88 -9.261 8.288 1.274 1.00 0.00 C ATOM 495 CZ TYR A 88 -9.243 7.882 -0.080 1.00 0.00 C ATOM 496 OH TYR A 88 -10.314 7.230 -0.596 1.00 0.00 O ATOM 0 H TYR A 88 -4.977 6.783 0.540 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.709 8.647 2.417 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.812 9.925 2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.094 10.029 0.972 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.032 8.651 -0.915 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -8.056 9.096 2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.118 7.721 -1.920 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -10.166 8.213 1.858 1.00 0.00 H new ATOM 0 HH TYR A 88 -11.036 7.212 0.066 1.00 0.00 H new ATOM 497 N GLY A 89 -5.101 7.836 4.346 1.00 0.00 N ATOM 498 CA GLY A 89 -5.692 7.281 5.565 1.00 0.00 C ATOM 499 C GLY A 89 -7.182 7.653 5.666 1.00 0.00 C ATOM 500 O GLY A 89 -7.537 8.811 5.808 1.00 0.00 O ATOM 0 H GLY A 89 -4.571 8.690 4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.582 6.197 5.567 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.158 7.657 6.438 1.00 0.00 H new ATOM 501 N SER A 90 -8.010 6.628 5.521 1.00 0.00 N ATOM 502 CA SER A 90 -9.480 6.778 5.567 1.00 0.00 C ATOM 503 C SER A 90 -10.169 6.165 6.767 1.00 0.00 C ATOM 504 O SER A 90 -10.149 4.966 7.032 1.00 0.00 O ATOM 505 CB SER A 90 -10.083 6.263 4.258 1.00 0.00 C ATOM 506 OG SER A 90 -11.515 6.399 4.241 1.00 0.00 O ATOM 0 H SER A 90 -7.696 5.669 5.368 1.00 0.00 H new ATOM 0 HA SER A 90 -9.664 7.846 5.685 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.655 6.813 3.420 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.815 5.215 4.122 1.00 0.00 H new ATOM 0 HG SER A 90 -11.866 6.062 3.390 1.00 0.00 H new ATOM 507 N GLN A 91 -11.139 6.998 7.072 1.00 0.00 N ATOM 508 CA GLN A 91 -12.161 6.860 8.112 1.00 0.00 C ATOM 509 C GLN A 91 -13.179 5.733 7.848 1.00 0.00 C ATOM 510 O GLN A 91 -13.895 5.287 8.738 1.00 0.00 O ATOM 511 CB GLN A 91 -12.847 8.215 8.237 1.00 0.00 C ATOM 512 CG GLN A 91 -13.445 8.673 6.916 1.00 0.00 C ATOM 513 CD GLN A 91 -14.156 10.024 7.020 1.00 0.00 C ATOM 514 OE1 GLN A 91 -13.570 11.094 7.060 1.00 0.00 O ATOM 515 NE2 GLN A 91 -15.466 9.985 7.121 1.00 0.00 N ATOM 0 H GLN A 91 -11.252 7.872 6.558 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.679 6.566 9.045 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.633 8.156 8.990 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.127 8.955 8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -12.654 8.741 6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -14.152 7.922 6.564 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -15.954 9.090 7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.995 10.850 7.233 1.00 0.00 H new ATOM 516 N THR A 92 -13.266 5.323 6.577 1.00 0.00 N ATOM 517 CA THR A 92 -14.245 4.330 6.105 1.00 0.00 C ATOM 518 C THR A 92 -13.593 3.186 5.330 1.00 0.00 C ATOM 519 O THR A 92 -12.822 3.438 4.390 1.00 0.00 O ATOM 520 CB THR A 92 -15.328 4.977 5.231 1.00 0.00 C ATOM 521 OG1 THR A 92 -14.717 5.743 4.192 1.00 0.00 O ATOM 522 CG2 THR A 92 -16.333 5.787 6.054 1.00 0.00 C ATOM 0 H THR A 92 -12.655 5.673 5.839 1.00 0.00 H new ATOM 0 HA THR A 92 -14.704 3.917 7.003 1.00 0.00 H new ATOM 0 HB THR A 92 -15.914 4.185 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.975 5.376 3.320 1.00 0.00 H new ATOM 0 HG21 THR A 92 -17.079 6.224 5.390 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.826 5.132 6.772 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.811 6.582 6.586 1.00 0.00 H new ATOM 523 N PRO A 93 -13.878 1.944 5.743 1.00 0.00 N ATOM 524 CA PRO A 93 -13.549 0.742 4.970 1.00 0.00 C ATOM 525 C PRO A 93 -14.461 0.636 3.745 1.00 0.00 C ATOM 526 O PRO A 93 -15.683 0.493 3.848 1.00 0.00 O ATOM 527 CB PRO A 93 -13.746 -0.412 5.952 1.00 0.00 C ATOM 528 CG PRO A 93 -14.781 0.109 6.944 1.00 0.00 C ATOM 529 CD PRO A 93 -14.427 1.591 7.065 1.00 0.00 C ATOM 0 HA PRO A 93 -12.533 0.747 4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.098 -1.310 5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.813 -0.673 6.451 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.798 -0.034 6.579 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.712 -0.402 7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.305 2.191 7.304 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.698 1.762 7.857 1.00 0.00 H new ATOM 530 N ASN A 94 -13.868 0.951 2.591 1.00 0.00 N ATOM 531 CA ASN A 94 -14.598 0.966 1.311 1.00 0.00 C ATOM 532 C ASN A 94 -13.897 0.120 0.258 1.00 0.00 C ATOM 533 O ASN A 94 -12.731 -0.250 0.392 1.00 0.00 O ATOM 534 CB ASN A 94 -14.702 2.420 0.821 1.00 0.00 C ATOM 535 CG ASN A 94 -15.482 3.366 1.734 1.00 0.00 C ATOM 536 OD1 ASN A 94 -15.079 4.498 1.953 1.00 0.00 O ATOM 537 ND2 ASN A 94 -16.588 2.919 2.303 1.00 0.00 N ATOM 0 H ASN A 94 -12.882 1.200 2.512 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.590 0.542 1.469 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.694 2.815 0.693 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.173 2.421 -0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -17.116 3.522 2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -16.913 1.971 2.111 1.00 0.00 H new ATOM 538 N GLU A 95 -14.540 0.083 -0.908 1.00 0.00 N ATOM 539 CA GLU A 95 -14.024 -0.496 -2.171 1.00 0.00 C ATOM 540 C GLU A 95 -12.595 -0.029 -2.529 1.00 0.00 C ATOM 541 O GLU A 95 -11.739 -0.833 -2.869 1.00 0.00 O ATOM 542 CB GLU A 95 -15.006 -0.114 -3.272 1.00 0.00 C ATOM 543 CG GLU A 95 -14.771 -0.900 -4.566 1.00 0.00 C ATOM 544 CD GLU A 95 -15.659 -0.390 -5.701 1.00 0.00 C ATOM 545 OE1 GLU A 95 -15.456 0.781 -6.108 1.00 0.00 O ATOM 546 OE2 GLU A 95 -16.535 -1.169 -6.123 1.00 0.00 O ATOM 0 H GLU A 95 -15.478 0.470 -1.015 1.00 0.00 H new ATOM 0 HA GLU A 95 -13.946 -1.577 -2.054 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.024 -0.290 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -14.919 0.953 -3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.724 -0.818 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.972 -1.957 -4.392 1.00 0.00 H new ATOM 547 N GLU A 96 -12.303 1.214 -2.157 1.00 0.00 N ATOM 548 CA GLU A 96 -11.021 1.898 -2.477 1.00 0.00 C ATOM 549 C GLU A 96 -9.855 1.397 -1.632 1.00 0.00 C ATOM 550 O GLU A 96 -8.685 1.532 -1.966 1.00 0.00 O ATOM 551 CB GLU A 96 -11.152 3.387 -2.166 1.00 0.00 C ATOM 552 CG GLU A 96 -12.073 4.119 -3.140 1.00 0.00 C ATOM 553 CD GLU A 96 -12.113 5.624 -2.850 1.00 0.00 C ATOM 554 OE1 GLU A 96 -12.671 5.967 -1.778 1.00 0.00 O ATOM 555 OE2 GLU A 96 -11.719 6.391 -3.750 1.00 0.00 O ATOM 0 H GLU A 96 -12.946 1.794 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.823 1.696 -3.530 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.533 3.509 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.164 3.847 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.730 3.953 -4.161 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.080 3.707 -3.070 1.00 0.00 H new ATOM 556 N CYS A 97 -10.285 1.040 -0.435 1.00 0.00 N ATOM 557 CA CYS A 97 -9.468 0.589 0.690 1.00 0.00 C ATOM 558 C CYS A 97 -9.142 -0.914 0.640 1.00 0.00 C ATOM 559 O CYS A 97 -8.424 -1.444 1.479 1.00 0.00 O ATOM 560 CB CYS A 97 -10.266 0.870 1.967 1.00 0.00 C ATOM 561 SG CYS A 97 -11.012 2.542 2.066 1.00 0.00 S ATOM 0 H CYS A 97 -11.278 1.057 -0.202 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.517 1.120 0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -11.061 0.129 2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.609 0.731 2.825 1.00 0.00 H new ATOM 0 HG CYS A 97 -11.726 2.635 3.149 1.00 0.00 H new ATOM 562 N LEU A 98 -9.758 -1.602 -0.330 1.00 0.00 N ATOM 563 CA LEU A 98 -9.527 -3.033 -0.568 1.00 0.00 C ATOM 564 C LEU A 98 -8.408 -3.228 -1.567 1.00 0.00 C ATOM 565 O LEU A 98 -8.386 -2.662 -2.665 1.00 0.00 O ATOM 566 CB LEU A 98 -10.843 -3.636 -1.042 1.00 0.00 C ATOM 567 CG LEU A 98 -11.755 -3.847 0.166 1.00 0.00 C ATOM 568 CD1 LEU A 98 -13.231 -3.765 -0.240 1.00 0.00 C ATOM 569 CD2 LEU A 98 -11.484 -5.142 0.943 1.00 0.00 C ATOM 0 H LEU A 98 -10.431 -1.182 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.210 -3.539 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.322 -2.975 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.662 -4.584 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.519 -3.033 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.859 -3.919 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.437 -2.783 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.448 -4.535 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.174 -5.213 1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.625 -5.998 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.459 -5.136 1.315 1.00 0.00 H new ATOM 570 N PHE A 99 -7.393 -3.881 -1.038 1.00 0.00 N ATOM 571 CA PHE A 99 -6.165 -4.161 -1.778 1.00 0.00 C ATOM 572 C PHE A 99 -5.920 -5.654 -1.956 1.00 0.00 C ATOM 573 O PHE A 99 -5.611 -6.395 -1.030 1.00 0.00 O ATOM 574 CB PHE A 99 -4.940 -3.542 -1.115 1.00 0.00 C ATOM 575 CG PHE A 99 -5.065 -2.030 -0.929 1.00 0.00 C ATOM 576 CD1 PHE A 99 -5.085 -1.211 -2.084 1.00 0.00 C ATOM 577 CD2 PHE A 99 -5.334 -1.498 0.348 1.00 0.00 C ATOM 578 CE1 PHE A 99 -5.418 0.151 -1.964 1.00 0.00 C ATOM 579 CE2 PHE A 99 -5.643 -0.128 0.456 1.00 0.00 C ATOM 580 CZ PHE A 99 -5.692 0.683 -0.696 1.00 0.00 C ATOM 0 H PHE A 99 -7.390 -4.236 -0.082 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.312 -3.707 -2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.783 -4.011 -0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.058 -3.757 -1.719 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.846 -1.629 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.304 -2.127 1.225 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.462 0.781 -2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.843 0.303 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.944 1.729 -0.601 1.00 0.00 H new ATOM 581 N LEU A 100 -6.217 -6.052 -3.169 1.00 0.00 N ATOM 582 CA LEU A 100 -6.091 -7.432 -3.611 1.00 0.00 C ATOM 583 C LEU A 100 -4.649 -7.918 -3.711 1.00 0.00 C ATOM 584 O LEU A 100 -3.843 -7.353 -4.445 1.00 0.00 O ATOM 585 CB LEU A 100 -6.828 -7.625 -4.943 1.00 0.00 C ATOM 586 CG LEU A 100 -7.894 -8.662 -4.685 1.00 0.00 C ATOM 587 CD1 LEU A 100 -9.260 -8.227 -5.210 1.00 0.00 C ATOM 588 CD2 LEU A 100 -7.530 -10.031 -5.264 1.00 0.00 C ATOM 0 H LEU A 100 -6.559 -5.421 -3.894 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.554 -8.049 -2.841 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.270 -6.688 -5.283 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.143 -7.956 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.954 -8.756 -3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.994 -9.005 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.561 -7.302 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.201 -8.063 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.330 -10.740 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.398 -9.946 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.603 -10.383 -4.811 1.00 0.00 H new ATOM 589 N GLU A 101 -4.338 -8.720 -2.697 1.00 0.00 N ATOM 590 CA GLU A 101 -3.034 -9.409 -2.564 1.00 0.00 C ATOM 591 C GLU A 101 -2.664 -10.220 -3.812 1.00 0.00 C ATOM 592 O GLU A 101 -2.983 -11.397 -3.983 1.00 0.00 O ATOM 593 CB GLU A 101 -2.991 -10.330 -1.354 1.00 0.00 C ATOM 594 CG GLU A 101 -3.097 -9.601 -0.011 1.00 0.00 C ATOM 595 CD GLU A 101 -3.037 -10.606 1.135 1.00 0.00 C ATOM 596 OE1 GLU A 101 -1.896 -10.926 1.548 1.00 0.00 O ATOM 597 OE2 GLU A 101 -4.116 -11.105 1.513 1.00 0.00 O ATOM 0 H GLU A 101 -4.982 -8.919 -1.931 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.304 -8.610 -2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.805 -11.050 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.061 -10.897 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.286 -8.879 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.030 -9.040 0.035 1.00 0.00 H new ATOM 598 N ARG A 102 -1.877 -9.540 -4.637 1.00 0.00 N ATOM 599 CA ARG A 102 -1.403 -10.060 -5.935 1.00 0.00 C ATOM 600 C ARG A 102 0.059 -10.519 -5.845 1.00 0.00 C ATOM 601 O ARG A 102 1.001 -9.842 -6.267 1.00 0.00 O ATOM 602 CB ARG A 102 -1.602 -9.012 -7.025 1.00 0.00 C ATOM 603 CG ARG A 102 -2.963 -9.090 -7.721 1.00 0.00 C ATOM 604 CD ARG A 102 -3.169 -10.383 -8.514 1.00 0.00 C ATOM 605 NE ARG A 102 -2.131 -10.564 -9.539 1.00 0.00 N ATOM 606 CZ ARG A 102 -1.367 -11.648 -9.712 1.00 0.00 C ATOM 607 NH1 ARG A 102 -1.504 -12.728 -8.949 1.00 0.00 N ATOM 608 NH2 ARG A 102 -0.449 -11.689 -10.669 1.00 0.00 N ATOM 0 H ARG A 102 -1.540 -8.600 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.996 -10.936 -6.199 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.485 -8.021 -6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.816 -9.125 -7.772 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.751 -9.003 -6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.067 -8.239 -8.394 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.159 -11.233 -7.832 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.150 -10.366 -8.989 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.978 -9.787 -10.181 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.206 -12.744 -8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -0.907 -13.541 -9.104 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.318 -10.887 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 102 0.126 -12.523 -10.789 1.00 0.00 H new ATOM 609 N LEU A 103 0.222 -11.466 -4.937 1.00 0.00 N ATOM 610 CA LEU A 103 1.467 -12.245 -4.776 1.00 0.00 C ATOM 611 C LEU A 103 1.866 -12.895 -6.104 1.00 0.00 C ATOM 612 O LEU A 103 1.158 -13.712 -6.685 1.00 0.00 O ATOM 613 CB LEU A 103 1.286 -13.206 -3.601 1.00 0.00 C ATOM 614 CG LEU A 103 2.437 -14.179 -3.261 1.00 0.00 C ATOM 615 CD1 LEU A 103 2.329 -15.478 -4.056 1.00 0.00 C ATOM 616 CD2 LEU A 103 3.833 -13.557 -3.314 1.00 0.00 C ATOM 0 H LEU A 103 -0.508 -11.729 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 103 2.315 -11.608 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.083 -12.609 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.394 -13.802 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 103 2.305 -14.431 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.155 -16.137 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.384 -15.969 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.370 -15.256 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.578 -14.312 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.025 -13.179 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.893 -12.736 -2.600 1.00 0.00 H new ATOM 617 N GLU A 104 2.839 -12.188 -6.663 1.00 0.00 N ATOM 618 CA GLU A 104 3.352 -12.407 -8.024 1.00 0.00 C ATOM 619 C GLU A 104 4.152 -13.707 -8.148 1.00 0.00 C ATOM 620 O GLU A 104 4.362 -14.427 -7.162 1.00 0.00 O ATOM 621 CB GLU A 104 4.193 -11.188 -8.407 1.00 0.00 C ATOM 622 CG GLU A 104 3.404 -9.874 -8.521 1.00 0.00 C ATOM 623 CD GLU A 104 2.289 -9.849 -9.569 1.00 0.00 C ATOM 624 OE1 GLU A 104 2.527 -10.370 -10.686 1.00 0.00 O ATOM 625 OE2 GLU A 104 1.253 -9.205 -9.277 1.00 0.00 O ATOM 0 H GLU A 104 3.310 -11.425 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 104 2.514 -12.519 -8.712 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.981 -11.060 -7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.682 -11.386 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.966 -9.651 -7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.105 -9.071 -8.747 1.00 0.00 H new ATOM 626 N GLU A 105 4.518 -14.047 -9.382 1.00 0.00 N ATOM 627 CA GLU A 105 5.400 -15.197 -9.701 1.00 0.00 C ATOM 628 C GLU A 105 6.870 -14.943 -9.313 1.00 0.00 C ATOM 629 O GLU A 105 7.807 -15.012 -10.113 1.00 0.00 O ATOM 630 CB GLU A 105 5.274 -15.547 -11.186 1.00 0.00 C ATOM 631 CG GLU A 105 3.973 -16.295 -11.512 1.00 0.00 C ATOM 632 CD GLU A 105 3.870 -16.669 -12.997 1.00 0.00 C ATOM 633 OE1 GLU A 105 4.885 -17.149 -13.557 1.00 0.00 O ATOM 634 OE2 GLU A 105 2.775 -16.455 -13.544 1.00 0.00 O ATOM 0 H GLU A 105 4.213 -13.533 -10.208 1.00 0.00 H new ATOM 0 HA GLU A 105 5.070 -16.045 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.319 -14.631 -11.776 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.125 -16.160 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 105 3.916 -17.200 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.121 -15.674 -11.237 1.00 0.00 H new ATOM 635 N ASN A 106 6.999 -14.568 -8.042 1.00 0.00 N ATOM 636 CA ASN A 106 8.216 -14.161 -7.319 1.00 0.00 C ATOM 637 C ASN A 106 7.777 -13.855 -5.872 1.00 0.00 C ATOM 638 O ASN A 106 6.594 -13.994 -5.532 1.00 0.00 O ATOM 639 CB ASN A 106 8.929 -12.956 -7.973 1.00 0.00 C ATOM 640 CG ASN A 106 8.013 -11.770 -8.304 1.00 0.00 C ATOM 641 OD1 ASN A 106 7.673 -10.950 -7.460 1.00 0.00 O ATOM 642 ND2 ASN A 106 7.588 -11.689 -9.554 1.00 0.00 N ATOM 0 H ASN A 106 6.183 -14.536 -7.431 1.00 0.00 H new ATOM 0 HA ASN A 106 8.956 -14.961 -7.346 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.718 -12.612 -7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.412 -13.292 -8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.964 -10.932 -9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.885 -12.384 -10.240 1.00 0.00 H new ATOM 643 N HIS A 107 8.727 -13.494 -5.020 1.00 0.00 N ATOM 644 CA HIS A 107 8.472 -13.254 -3.585 1.00 0.00 C ATOM 645 C HIS A 107 7.443 -12.170 -3.239 1.00 0.00 C ATOM 646 O HIS A 107 6.742 -12.267 -2.232 1.00 0.00 O ATOM 647 CB HIS A 107 9.810 -12.943 -2.933 1.00 0.00 C ATOM 648 CG HIS A 107 10.659 -14.218 -2.858 1.00 0.00 C ATOM 649 ND1 HIS A 107 10.351 -15.320 -2.178 1.00 0.00 N ATOM 650 CD2 HIS A 107 11.774 -14.443 -3.533 1.00 0.00 C ATOM 651 CE1 HIS A 107 11.280 -16.233 -2.430 1.00 0.00 C ATOM 652 NE2 HIS A 107 12.163 -15.690 -3.269 1.00 0.00 N ATOM 0 H HIS A 107 9.700 -13.356 -5.293 1.00 0.00 H new ATOM 0 HA HIS A 107 8.009 -14.162 -3.200 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.335 -12.178 -3.505 1.00 0.00 H new ATOM 0 HB3 HIS A 107 9.653 -12.540 -1.932 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.279 -13.742 -4.182 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.315 -17.235 -2.028 1.00 0.00 H new ATOM 0 HE2 HIS A 107 12.993 -16.150 -3.644 1.00 0.00 H new ATOM 653 N TYR A 108 7.409 -11.148 -4.087 1.00 0.00 N ATOM 654 CA TYR A 108 6.597 -9.940 -3.890 1.00 0.00 C ATOM 655 C TYR A 108 5.089 -10.184 -3.915 1.00 0.00 C ATOM 656 O TYR A 108 4.477 -10.546 -4.920 1.00 0.00 O ATOM 657 CB TYR A 108 7.002 -8.877 -4.929 1.00 0.00 C ATOM 658 CG TYR A 108 8.451 -8.452 -4.686 1.00 0.00 C ATOM 659 CD1 TYR A 108 8.689 -7.505 -3.677 1.00 0.00 C ATOM 660 CD2 TYR A 108 9.490 -9.233 -5.236 1.00 0.00 C ATOM 661 CE1 TYR A 108 9.997 -7.335 -3.188 1.00 0.00 C ATOM 662 CE2 TYR A 108 10.793 -9.073 -4.745 1.00 0.00 C ATOM 663 CZ TYR A 108 11.024 -8.121 -3.732 1.00 0.00 C ATOM 664 OH TYR A 108 12.309 -7.755 -3.477 1.00 0.00 O ATOM 0 H TYR A 108 7.954 -11.130 -4.949 1.00 0.00 H new ATOM 0 HA TYR A 108 6.806 -9.583 -2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.894 -9.278 -5.937 1.00 0.00 H new ATOM 0 HB3 TYR A 108 6.342 -8.013 -4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 108 7.877 -6.914 -3.281 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.284 -9.943 -6.023 1.00 0.00 H new ATOM 0 HE1 TYR A 108 10.206 -6.615 -2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 108 11.605 -9.668 -5.136 1.00 0.00 H new ATOM 0 HH TYR A 108 12.921 -8.385 -3.912 1.00 0.00 H new ATOM 665 N ASN A 109 4.544 -9.565 -2.872 1.00 0.00 N ATOM 666 CA ASN A 109 3.098 -9.568 -2.648 1.00 0.00 C ATOM 667 C ASN A 109 2.604 -8.145 -2.806 1.00 0.00 C ATOM 668 O ASN A 109 2.780 -7.275 -1.955 1.00 0.00 O ATOM 669 CB ASN A 109 2.628 -10.146 -1.310 1.00 0.00 C ATOM 670 CG ASN A 109 1.133 -10.508 -1.309 1.00 0.00 C ATOM 671 OD1 ASN A 109 0.321 -10.006 -2.092 1.00 0.00 O ATOM 672 ND2 ASN A 109 0.757 -11.504 -0.540 1.00 0.00 N ATOM 0 H ASN A 109 5.079 -9.055 -2.169 1.00 0.00 H new ATOM 0 HA ASN A 109 2.672 -10.245 -3.388 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.213 -11.036 -1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 109 2.822 -9.422 -0.518 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -0.199 -11.856 -0.593 1.00 0.00 H new ATOM 0 HD22 ASN A 109 1.421 -11.925 0.110 1.00 0.00 H new ATOM 673 N THR A 110 1.903 -8.042 -3.910 1.00 0.00 N ATOM 674 CA THR A 110 1.554 -6.730 -4.471 1.00 0.00 C ATOM 675 C THR A 110 0.066 -6.448 -4.216 1.00 0.00 C ATOM 676 O THR A 110 -0.641 -7.276 -3.664 1.00 0.00 O ATOM 677 CB THR A 110 1.903 -6.593 -5.963 1.00 0.00 C ATOM 678 OG1 THR A 110 0.952 -7.280 -6.770 1.00 0.00 O ATOM 679 CG2 THR A 110 3.327 -7.074 -6.265 1.00 0.00 C ATOM 0 H THR A 110 1.558 -8.838 -4.446 1.00 0.00 H new ATOM 0 HA THR A 110 2.162 -5.982 -3.962 1.00 0.00 H new ATOM 0 HB THR A 110 1.862 -5.532 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.142 -8.241 -6.752 1.00 0.00 H new ATOM 0 HG21 THR A 110 3.532 -6.960 -7.329 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.040 -6.481 -5.693 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.423 -8.124 -5.988 1.00 0.00 H new ATOM 680 N TYR A 111 -0.370 -5.274 -4.635 1.00 0.00 N ATOM 681 CA TYR A 111 -1.710 -4.796 -4.262 1.00 0.00 C ATOM 682 C TYR A 111 -2.351 -4.075 -5.417 1.00 0.00 C ATOM 683 O TYR A 111 -1.748 -3.183 -6.030 1.00 0.00 O ATOM 684 CB TYR A 111 -1.677 -3.900 -3.020 1.00 0.00 C ATOM 685 CG TYR A 111 -1.203 -4.688 -1.796 1.00 0.00 C ATOM 686 CD1 TYR A 111 -2.062 -5.654 -1.237 1.00 0.00 C ATOM 687 CD2 TYR A 111 0.155 -4.575 -1.421 1.00 0.00 C ATOM 688 CE1 TYR A 111 -1.536 -6.571 -0.316 1.00 0.00 C ATOM 689 CE2 TYR A 111 0.687 -5.512 -0.514 1.00 0.00 C ATOM 690 CZ TYR A 111 -0.168 -6.515 -0.002 1.00 0.00 C ATOM 691 OH TYR A 111 0.407 -7.514 0.706 1.00 0.00 O ATOM 0 H TYR A 111 0.165 -4.636 -5.224 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.310 -5.671 -4.013 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.012 -3.054 -3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -2.670 -3.492 -2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.106 -5.688 -1.512 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.773 -3.785 -1.822 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.174 -7.310 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.724 -5.465 -0.216 1.00 0.00 H new ATOM 0 HH TYR A 111 1.318 -7.666 0.377 1.00 0.00 H new ATOM 692 N ILE A 112 -3.411 -4.717 -5.871 1.00 0.00 N ATOM 693 CA ILE A 112 -4.286 -4.082 -6.857 1.00 0.00 C ATOM 694 C ILE A 112 -5.556 -3.626 -6.151 1.00 0.00 C ATOM 695 O ILE A 112 -6.216 -4.381 -5.444 1.00 0.00 O ATOM 696 CB ILE A 112 -4.484 -5.012 -8.074 1.00 0.00 C ATOM 697 CG1 ILE A 112 -4.995 -4.179 -9.247 1.00 0.00 C ATOM 698 CG2 ILE A 112 -5.373 -6.230 -7.790 1.00 0.00 C ATOM 699 CD1 ILE A 112 -4.746 -4.922 -10.570 1.00 0.00 C ATOM 0 H ILE A 112 -3.689 -5.656 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.842 -3.183 -7.284 1.00 0.00 H new ATOM 0 HB ILE A 112 -3.517 -5.448 -8.326 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.060 -3.982 -9.126 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.492 -3.212 -9.263 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.463 -6.833 -8.693 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -4.926 -6.829 -6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.362 -5.894 -7.478 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.114 -4.320 -11.400 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -3.677 -5.096 -10.694 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.270 -5.878 -10.555 1.00 0.00 H new ATOM 700 N SER A 113 -5.711 -2.306 -6.139 1.00 0.00 N ATOM 701 CA SER A 113 -6.896 -1.722 -5.486 1.00 0.00 C ATOM 702 C SER A 113 -8.153 -2.188 -6.211 1.00 0.00 C ATOM 703 O SER A 113 -8.325 -1.962 -7.405 1.00 0.00 O ATOM 704 CB SER A 113 -6.909 -0.191 -5.442 1.00 0.00 C ATOM 705 OG SER A 113 -8.103 0.251 -4.773 1.00 0.00 O ATOM 0 H SER A 113 -5.064 -1.636 -6.554 1.00 0.00 H new ATOM 0 HA SER A 113 -6.862 -2.067 -4.453 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.027 0.178 -4.919 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.873 0.214 -6.453 1.00 0.00 H new ATOM 0 HG SER A 113 -7.871 0.600 -3.887 1.00 0.00 H new ATOM 706 N LYS A 114 -8.971 -2.885 -5.427 1.00 0.00 N ATOM 707 CA LYS A 114 -10.238 -3.495 -5.870 1.00 0.00 C ATOM 708 C LYS A 114 -11.042 -2.559 -6.800 1.00 0.00 C ATOM 709 O LYS A 114 -11.453 -2.946 -7.891 1.00 0.00 O ATOM 710 CB LYS A 114 -11.086 -3.854 -4.648 1.00 0.00 C ATOM 711 CG LYS A 114 -12.421 -4.488 -5.013 1.00 0.00 C ATOM 712 CD LYS A 114 -13.210 -4.796 -3.742 1.00 0.00 C ATOM 713 CE LYS A 114 -14.614 -5.324 -4.019 1.00 0.00 C ATOM 714 NZ LYS A 114 -14.558 -6.558 -4.805 1.00 0.00 N ATOM 0 H LYS A 114 -8.773 -3.050 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.992 -4.392 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.526 -4.541 -4.014 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.267 -2.953 -4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.992 -3.814 -5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.256 -5.404 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.663 -5.531 -3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.282 -3.891 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.130 -5.510 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.192 -4.571 -4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -15.486 -7.026 -4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.308 -6.332 -5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.840 -7.194 -4.403 1.00 0.00 H new ATOM 715 N LYS A 115 -11.119 -1.286 -6.404 1.00 0.00 N ATOM 716 CA LYS A 115 -11.822 -0.225 -7.139 1.00 0.00 C ATOM 717 C LYS A 115 -11.358 -0.036 -8.597 1.00 0.00 C ATOM 718 O LYS A 115 -12.197 0.006 -9.502 1.00 0.00 O ATOM 719 CB LYS A 115 -11.721 1.058 -6.285 1.00 0.00 C ATOM 720 CG LYS A 115 -12.360 2.297 -6.917 1.00 0.00 C ATOM 721 CD LYS A 115 -11.321 3.217 -7.552 1.00 0.00 C ATOM 722 CE LYS A 115 -10.414 3.883 -6.512 1.00 0.00 C ATOM 723 NZ LYS A 115 -9.317 4.554 -7.220 1.00 0.00 N ATOM 0 H LYS A 115 -10.685 -0.954 -5.543 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.865 -0.511 -7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.193 0.874 -5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -10.669 1.267 -6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -13.080 1.987 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.914 2.847 -6.156 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -10.710 2.643 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -11.829 3.987 -8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -10.980 4.602 -5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -10.020 3.139 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.422 4.066 -7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.498 4.529 -8.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.253 5.543 -6.904 1.00 0.00 H new ATOM 724 N HIS A 116 -10.051 0.067 -8.819 1.00 0.00 N ATOM 725 CA HIS A 116 -9.502 0.141 -10.186 1.00 0.00 C ATOM 726 C HIS A 116 -8.721 -1.101 -10.667 1.00 0.00 C ATOM 727 O HIS A 116 -7.870 -1.020 -11.558 1.00 0.00 O ATOM 728 CB HIS A 116 -8.717 1.431 -10.408 1.00 0.00 C ATOM 729 CG HIS A 116 -9.628 2.597 -10.808 1.00 0.00 C ATOM 730 ND1 HIS A 116 -10.946 2.559 -10.992 1.00 0.00 N ATOM 731 CD2 HIS A 116 -9.205 3.799 -11.177 1.00 0.00 C ATOM 732 CE1 HIS A 116 -11.343 3.732 -11.463 1.00 0.00 C ATOM 733 NE2 HIS A 116 -10.263 4.495 -11.585 1.00 0.00 N ATOM 0 H HIS A 116 -9.349 0.102 -8.080 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.384 0.154 -10.826 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -8.178 1.689 -9.496 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -7.970 1.271 -11.186 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -8.184 4.150 -11.151 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -12.357 4.015 -11.703 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -10.247 5.454 -11.933 1.00 0.00 H new ATOM 734 N ALA A 117 -9.289 -2.254 -10.317 1.00 0.00 N ATOM 735 CA ALA A 117 -8.773 -3.579 -10.726 1.00 0.00 C ATOM 736 C ALA A 117 -8.715 -3.804 -12.244 1.00 0.00 C ATOM 737 O ALA A 117 -7.687 -4.226 -12.776 1.00 0.00 O ATOM 738 CB ALA A 117 -9.638 -4.667 -10.064 1.00 0.00 C ATOM 0 H ALA A 117 -10.127 -2.306 -9.737 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.737 -3.629 -10.391 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -9.271 -5.651 -10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.584 -4.566 -8.980 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -10.673 -4.556 -10.387 1.00 0.00 H new ATOM 739 N GLU A 118 -9.650 -3.166 -12.933 1.00 0.00 N ATOM 740 CA GLU A 118 -9.851 -3.295 -14.392 1.00 0.00 C ATOM 741 C GLU A 118 -8.926 -2.433 -15.261 1.00 0.00 C ATOM 742 O GLU A 118 -8.546 -2.806 -16.369 1.00 0.00 O ATOM 743 CB GLU A 118 -11.327 -3.146 -14.810 1.00 0.00 C ATOM 744 CG GLU A 118 -12.169 -2.068 -14.099 1.00 0.00 C ATOM 745 CD GLU A 118 -11.730 -0.620 -14.342 1.00 0.00 C ATOM 746 OE1 GLU A 118 -12.152 -0.053 -15.369 1.00 0.00 O ATOM 747 OE2 GLU A 118 -10.967 -0.143 -13.477 1.00 0.00 O ATOM 0 H GLU A 118 -10.312 -2.526 -12.494 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.550 -4.322 -14.598 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.353 -2.940 -15.880 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.817 -4.108 -14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -13.206 -2.173 -14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -12.144 -2.261 -13.027 1.00 0.00 H new ATOM 748 N LYS A 119 -8.545 -1.320 -14.665 1.00 0.00 N ATOM 749 CA LYS A 119 -7.466 -0.424 -15.131 1.00 0.00 C ATOM 750 C LYS A 119 -6.085 -0.907 -14.668 1.00 0.00 C ATOM 751 O LYS A 119 -5.074 -0.285 -14.979 1.00 0.00 O ATOM 752 CB LYS A 119 -7.810 0.952 -14.572 1.00 0.00 C ATOM 753 CG LYS A 119 -8.658 1.787 -15.537 1.00 0.00 C ATOM 754 CD LYS A 119 -8.864 3.183 -14.933 1.00 0.00 C ATOM 755 CE LYS A 119 -9.527 4.162 -15.899 1.00 0.00 C ATOM 756 NZ LYS A 119 -8.630 4.485 -17.022 1.00 0.00 N ATOM 0 H LYS A 119 -8.987 -0.988 -13.807 1.00 0.00 H new ATOM 0 HA LYS A 119 -7.404 -0.404 -16.219 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -8.348 0.833 -13.631 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.889 1.489 -14.347 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.163 1.864 -16.505 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.620 1.304 -15.709 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -9.476 3.097 -14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.899 3.584 -14.624 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.453 3.731 -16.281 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -9.796 5.076 -15.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.021 5.285 -17.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -7.692 4.741 -16.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.543 3.658 -17.646 1.00 0.00 H new ATOM 757 N ASN A 120 -6.076 -2.071 -14.020 1.00 0.00 N ATOM 758 CA ASN A 120 -4.907 -2.728 -13.410 1.00 0.00 C ATOM 759 C ASN A 120 -4.037 -1.836 -12.518 1.00 0.00 C ATOM 760 O ASN A 120 -2.840 -2.081 -12.332 1.00 0.00 O ATOM 761 CB ASN A 120 -4.126 -3.472 -14.490 1.00 0.00 C ATOM 762 CG ASN A 120 -4.931 -4.642 -15.058 1.00 0.00 C ATOM 763 OD1 ASN A 120 -4.888 -5.779 -14.593 1.00 0.00 O ATOM 764 ND2 ASN A 120 -5.738 -4.376 -16.067 1.00 0.00 N ATOM 0 H ASN A 120 -6.929 -2.616 -13.896 1.00 0.00 H new ATOM 0 HA ASN A 120 -5.289 -3.451 -12.689 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.867 -2.783 -15.294 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -3.189 -3.842 -14.074 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -6.324 -5.113 -16.459 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -5.776 -3.433 -16.455 1.00 0.00 H new ATOM 765 N TRP A 121 -4.715 -0.905 -11.854 1.00 0.00 N ATOM 766 CA TRP A 121 -4.102 0.047 -10.904 1.00 0.00 C ATOM 767 C TRP A 121 -3.574 -0.632 -9.639 1.00 0.00 C ATOM 768 O TRP A 121 -4.260 -0.919 -8.663 1.00 0.00 O ATOM 769 CB TRP A 121 -5.079 1.181 -10.572 1.00 0.00 C ATOM 770 CG TRP A 121 -5.156 2.262 -11.644 1.00 0.00 C ATOM 771 CD1 TRP A 121 -4.990 2.156 -12.969 1.00 0.00 C ATOM 772 CD2 TRP A 121 -5.438 3.598 -11.382 1.00 0.00 C ATOM 773 NE1 TRP A 121 -5.145 3.333 -13.558 1.00 0.00 N ATOM 774 CE2 TRP A 121 -5.435 4.242 -12.626 1.00 0.00 C ATOM 775 CE3 TRP A 121 -5.697 4.310 -10.198 1.00 0.00 C ATOM 776 CZ2 TRP A 121 -5.689 5.610 -12.722 1.00 0.00 C ATOM 777 CZ3 TRP A 121 -6.042 5.667 -10.306 1.00 0.00 C ATOM 778 CH2 TRP A 121 -6.035 6.319 -11.553 1.00 0.00 C ATOM 0 H TRP A 121 -5.722 -0.780 -11.955 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.231 0.477 -11.398 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -6.073 0.759 -10.423 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -4.782 1.639 -9.628 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -4.761 1.236 -13.487 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -5.057 3.514 -14.558 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -5.633 3.828 -9.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -5.622 6.117 -13.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -6.317 6.218 -9.419 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -6.295 7.365 -11.615 1.00 0.00 H new ATOM 779 N PHE A 122 -2.278 -0.848 -9.768 1.00 0.00 N ATOM 780 CA PHE A 122 -1.445 -1.502 -8.762 1.00 0.00 C ATOM 781 C PHE A 122 -0.777 -0.461 -7.850 1.00 0.00 C ATOM 782 O PHE A 122 -1.027 0.736 -7.970 1.00 0.00 O ATOM 783 CB PHE A 122 -0.367 -2.305 -9.498 1.00 0.00 C ATOM 784 CG PHE A 122 -0.709 -3.757 -9.791 1.00 0.00 C ATOM 785 CD1 PHE A 122 -0.616 -4.714 -8.749 1.00 0.00 C ATOM 786 CD2 PHE A 122 -0.871 -4.168 -11.136 1.00 0.00 C ATOM 787 CE1 PHE A 122 -0.674 -6.092 -9.069 1.00 0.00 C ATOM 788 CE2 PHE A 122 -0.913 -5.543 -11.452 1.00 0.00 C ATOM 789 CZ PHE A 122 -0.815 -6.491 -10.413 1.00 0.00 C ATOM 0 H PHE A 122 -1.756 -0.567 -10.598 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.059 -2.152 -8.139 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.149 -1.805 -10.442 1.00 0.00 H new ATOM 0 HB3 PHE A 122 0.547 -2.279 -8.905 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.502 -4.396 -7.723 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -0.962 -3.430 -11.919 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.610 -6.834 -8.287 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -1.019 -5.865 -12.477 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.849 -7.544 -10.652 1.00 0.00 H new ATOM 790 N VAL A 123 0.058 -0.970 -6.956 1.00 0.00 N ATOM 791 CA VAL A 123 0.875 -0.136 -6.039 1.00 0.00 C ATOM 792 C VAL A 123 2.191 0.373 -6.609 1.00 0.00 C ATOM 793 O VAL A 123 2.686 -0.139 -7.606 1.00 0.00 O ATOM 794 CB VAL A 123 1.122 -0.838 -4.682 1.00 0.00 C ATOM 795 CG1 VAL A 123 -0.036 -0.596 -3.720 1.00 0.00 C ATOM 796 CG2 VAL A 123 1.517 -2.325 -4.799 1.00 0.00 C ATOM 0 H VAL A 123 0.200 -1.973 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 123 0.258 0.750 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 123 2.007 -0.369 -4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.165 -1.101 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.145 0.474 -3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -0.956 -0.988 -4.153 1.00 0.00 H new ATOM 0 HG21 VAL A 123 1.671 -2.740 -3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 123 0.721 -2.874 -5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 123 2.438 -2.413 -5.375 1.00 0.00 H new ATOM 797 N GLY A 124 2.572 1.538 -6.080 1.00 0.00 N ATOM 798 CA GLY A 124 3.854 2.173 -6.411 1.00 0.00 C ATOM 799 C GLY A 124 3.984 3.602 -5.882 1.00 0.00 C ATOM 800 O GLY A 124 3.016 4.319 -5.655 1.00 0.00 O ATOM 0 H GLY A 124 2.007 2.066 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.665 1.569 -6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.976 2.183 -7.494 1.00 0.00 H new ATOM 801 N LEU A 125 5.245 3.910 -5.625 1.00 0.00 N ATOM 802 CA LEU A 125 5.681 5.211 -5.089 1.00 0.00 C ATOM 803 C LEU A 125 6.175 6.186 -6.149 1.00 0.00 C ATOM 804 O LEU A 125 7.044 5.914 -6.971 1.00 0.00 O ATOM 805 CB LEU A 125 6.814 4.982 -4.072 1.00 0.00 C ATOM 806 CG LEU A 125 6.436 4.037 -2.924 1.00 0.00 C ATOM 807 CD1 LEU A 125 7.708 3.583 -2.219 1.00 0.00 C ATOM 808 CD2 LEU A 125 5.467 4.698 -1.930 1.00 0.00 C ATOM 0 H LEU A 125 6.015 3.260 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 125 4.801 5.662 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.681 4.576 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.114 5.943 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 125 5.916 3.174 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.450 2.911 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.351 3.062 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.234 4.451 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.226 3.994 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.934 5.584 -1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.553 4.985 -2.449 1.00 0.00 H new ATOM 809 N LYS A 126 5.780 7.411 -5.832 1.00 0.00 N ATOM 810 CA LYS A 126 6.159 8.647 -6.524 1.00 0.00 C ATOM 811 C LYS A 126 7.467 9.103 -5.868 1.00 0.00 C ATOM 812 O LYS A 126 7.593 9.096 -4.640 1.00 0.00 O ATOM 813 CB LYS A 126 5.026 9.649 -6.306 1.00 0.00 C ATOM 814 CG LYS A 126 5.278 10.926 -7.103 1.00 0.00 C ATOM 815 CD LYS A 126 4.820 12.168 -6.356 1.00 0.00 C ATOM 816 CE LYS A 126 4.902 13.404 -7.259 1.00 0.00 C ATOM 817 NZ LYS A 126 6.289 13.776 -7.576 1.00 0.00 N ATOM 0 H LYS A 126 5.154 7.585 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 126 6.310 8.533 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.078 9.206 -6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 126 4.942 9.886 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 126 6.342 11.009 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 126 4.756 10.865 -8.058 1.00 0.00 H new ATOM 0 HD2 LYS A 126 3.796 12.033 -6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.440 12.316 -5.472 1.00 0.00 H new ATOM 0 HE2 LYS A 126 4.360 13.211 -8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 126 4.407 14.242 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.333 14.790 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.898 13.578 -6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 6.618 13.224 -8.393 1.00 0.00 H new ATOM 818 N LYS A 127 8.364 9.614 -6.714 1.00 0.00 N ATOM 819 CA LYS A 127 9.731 10.035 -6.342 1.00 0.00 C ATOM 820 C LYS A 127 9.920 10.939 -5.109 1.00 0.00 C ATOM 821 O LYS A 127 10.910 10.799 -4.400 1.00 0.00 O ATOM 822 CB LYS A 127 10.440 10.591 -7.584 1.00 0.00 C ATOM 823 CG LYS A 127 9.669 11.725 -8.264 1.00 0.00 C ATOM 824 CD LYS A 127 10.529 12.977 -8.255 1.00 0.00 C ATOM 825 CE LYS A 127 9.780 14.153 -8.868 1.00 0.00 C ATOM 826 NZ LYS A 127 10.712 15.286 -8.761 1.00 0.00 N ATOM 0 H LYS A 127 8.162 9.753 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 127 10.200 9.119 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 127 11.428 10.953 -7.299 1.00 0.00 H new ATOM 0 HB3 LYS A 127 10.591 9.783 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 127 9.416 11.448 -9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 127 8.730 11.909 -7.742 1.00 0.00 H new ATOM 0 HD2 LYS A 127 10.818 13.218 -7.232 1.00 0.00 H new ATOM 0 HD3 LYS A 127 11.449 12.796 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 127 9.514 13.955 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.851 14.353 -8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 10.270 16.138 -9.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 10.941 15.454 -7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 11.584 15.069 -9.284 1.00 0.00 H new ATOM 827 N ASN A 128 8.871 11.675 -4.754 1.00 0.00 N ATOM 828 CA ASN A 128 8.827 12.552 -3.564 1.00 0.00 C ATOM 829 C ASN A 128 8.383 11.832 -2.272 1.00 0.00 C ATOM 830 O ASN A 128 7.689 12.389 -1.423 1.00 0.00 O ATOM 831 CB ASN A 128 7.877 13.701 -3.889 1.00 0.00 C ATOM 832 CG ASN A 128 8.469 14.712 -4.874 1.00 0.00 C ATOM 833 OD1 ASN A 128 9.596 14.640 -5.332 1.00 0.00 O ATOM 834 ND2 ASN A 128 7.687 15.709 -5.204 1.00 0.00 N ATOM 0 H ASN A 128 8.003 11.686 -5.290 1.00 0.00 H new ATOM 0 HA ASN A 128 9.838 12.904 -3.356 1.00 0.00 H new ATOM 0 HB2 ASN A 128 6.955 13.295 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 128 7.611 14.216 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 128 8.021 16.428 -5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 128 6.744 15.767 -4.819 1.00 0.00 H new ATOM 835 N GLY A 129 8.744 10.550 -2.206 1.00 0.00 N ATOM 836 CA GLY A 129 8.390 9.625 -1.114 1.00 0.00 C ATOM 837 C GLY A 129 6.883 9.609 -0.838 1.00 0.00 C ATOM 838 O GLY A 129 6.462 9.654 0.310 1.00 0.00 O ATOM 0 H GLY A 129 9.309 10.107 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 129 8.722 8.619 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 129 8.921 9.915 -0.207 1.00 0.00 H new ATOM 839 N SER A 130 6.094 9.491 -1.901 1.00 0.00 N ATOM 840 CA SER A 130 4.617 9.534 -1.829 1.00 0.00 C ATOM 841 C SER A 130 4.049 8.283 -2.490 1.00 0.00 C ATOM 842 O SER A 130 4.585 7.817 -3.496 1.00 0.00 O ATOM 843 CB SER A 130 4.066 10.736 -2.604 1.00 0.00 C ATOM 844 OG SER A 130 4.328 11.915 -1.861 1.00 0.00 O ATOM 0 H SER A 130 6.452 9.362 -2.847 1.00 0.00 H new ATOM 0 HA SER A 130 4.334 9.603 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.532 10.798 -3.587 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.994 10.622 -2.766 1.00 0.00 H new ATOM 0 HG SER A 130 3.982 12.692 -2.347 1.00 0.00 H new ATOM 845 N CYS A 131 2.938 7.790 -1.975 1.00 0.00 N ATOM 846 CA CYS A 131 2.264 6.659 -2.618 1.00 0.00 C ATOM 847 C CYS A 131 1.166 7.130 -3.573 1.00 0.00 C ATOM 848 O CYS A 131 0.006 7.367 -3.221 1.00 0.00 O ATOM 849 CB CYS A 131 1.743 5.607 -1.645 1.00 0.00 C ATOM 850 SG CYS A 131 1.839 3.945 -2.429 1.00 0.00 S ATOM 0 H CYS A 131 2.484 8.140 -1.131 1.00 0.00 H new ATOM 0 HA CYS A 131 3.036 6.157 -3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 131 2.331 5.622 -0.727 1.00 0.00 H new ATOM 0 HB3 CYS A 131 0.713 5.831 -1.368 1.00 0.00 H new ATOM 0 HG CYS A 131 2.259 4.066 -3.653 1.00 0.00 H new ATOM 851 N LYS A 132 1.755 7.541 -4.680 1.00 0.00 N ATOM 852 CA LYS A 132 1.057 7.986 -5.897 1.00 0.00 C ATOM 853 C LYS A 132 1.377 7.006 -7.043 1.00 0.00 C ATOM 854 O LYS A 132 2.516 6.854 -7.474 1.00 0.00 O ATOM 855 CB LYS A 132 1.402 9.427 -6.272 1.00 0.00 C ATOM 856 CG LYS A 132 0.452 9.919 -7.377 1.00 0.00 C ATOM 857 CD LYS A 132 1.172 10.552 -8.569 1.00 0.00 C ATOM 858 CE LYS A 132 2.094 9.576 -9.308 1.00 0.00 C ATOM 859 NZ LYS A 132 2.163 10.004 -10.707 1.00 0.00 N ATOM 0 H LYS A 132 2.770 7.580 -4.772 1.00 0.00 H new ATOM 0 HA LYS A 132 -0.016 7.980 -5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 132 1.320 10.070 -5.396 1.00 0.00 H new ATOM 0 HB3 LYS A 132 2.435 9.486 -6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -0.147 9.079 -7.730 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -0.239 10.647 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 132 0.431 10.941 -9.268 1.00 0.00 H new ATOM 0 HD3 LYS A 132 1.759 11.402 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 132 3.087 9.573 -8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 132 1.710 8.558 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 2.784 9.359 -11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 1.210 9.987 -11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 2.545 10.970 -10.756 1.00 0.00 H new ATOM 860 N ARG A 133 0.397 6.123 -7.137 1.00 0.00 N ATOM 861 CA ARG A 133 0.273 5.030 -8.113 1.00 0.00 C ATOM 862 C ARG A 133 -0.276 5.560 -9.457 1.00 0.00 C ATOM 863 O ARG A 133 0.464 5.995 -10.337 1.00 0.00 O ATOM 864 CB ARG A 133 -0.631 3.939 -7.499 1.00 0.00 C ATOM 865 CG ARG A 133 -0.297 3.575 -6.051 1.00 0.00 C ATOM 866 CD ARG A 133 -1.546 3.199 -5.234 1.00 0.00 C ATOM 867 NE ARG A 133 -2.069 1.883 -5.606 1.00 0.00 N ATOM 868 CZ ARG A 133 -2.801 1.067 -4.831 1.00 0.00 C ATOM 869 NH1 ARG A 133 -3.086 1.371 -3.569 1.00 0.00 N ATOM 870 NH2 ARG A 133 -3.202 -0.112 -5.273 1.00 0.00 N ATOM 0 H ARG A 133 -0.393 6.144 -6.492 1.00 0.00 H new ATOM 0 HA ARG A 133 1.249 4.597 -8.332 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.667 4.275 -7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.560 3.040 -8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 133 0.404 2.740 -6.042 1.00 0.00 H new ATOM 0 HG3 ARG A 133 0.205 4.417 -5.575 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -1.300 3.204 -4.172 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -2.319 3.952 -5.386 1.00 0.00 H new ATOM 0 HE ARG A 133 -1.856 1.553 -6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -2.746 2.244 -3.165 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -3.645 0.731 -3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -2.956 -0.414 -6.216 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -3.758 -0.720 -4.671 1.00 0.00 H new ATOM 871 N GLY A 134 -1.600 5.584 -9.549 1.00 0.00 N ATOM 872 CA GLY A 134 -2.425 5.999 -10.692 1.00 0.00 C ATOM 873 C GLY A 134 -2.170 5.106 -11.907 1.00 0.00 C ATOM 874 O GLY A 134 -1.902 3.915 -11.729 1.00 0.00 O ATOM 0 H GLY A 134 -2.179 5.290 -8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.479 5.955 -10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.205 7.036 -10.946 1.00 0.00 H new ATOM 875 N PRO A 135 -2.249 5.635 -13.135 1.00 0.00 N ATOM 876 CA PRO A 135 -2.330 4.780 -14.320 1.00 0.00 C ATOM 877 C PRO A 135 -0.966 4.338 -14.905 1.00 0.00 C ATOM 878 O PRO A 135 -0.844 3.994 -16.076 1.00 0.00 O ATOM 879 CB PRO A 135 -3.157 5.586 -15.306 1.00 0.00 C ATOM 880 CG PRO A 135 -2.842 7.041 -14.966 1.00 0.00 C ATOM 881 CD PRO A 135 -2.388 7.059 -13.497 1.00 0.00 C ATOM 0 HA PRO A 135 -2.783 3.821 -14.069 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -2.888 5.351 -16.336 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -4.221 5.374 -15.199 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -2.061 7.431 -15.618 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -3.720 7.671 -15.108 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -1.445 7.592 -13.380 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.118 7.560 -12.862 1.00 0.00 H new ATOM 882 N ARG A 136 0.019 4.272 -14.015 1.00 0.00 N ATOM 883 CA ARG A 136 1.407 3.887 -14.334 1.00 0.00 C ATOM 884 C ARG A 136 1.927 2.650 -13.577 1.00 0.00 C ATOM 885 O ARG A 136 2.931 2.046 -13.965 1.00 0.00 O ATOM 886 CB ARG A 136 2.355 5.076 -14.112 1.00 0.00 C ATOM 887 CG ARG A 136 2.375 5.567 -12.665 1.00 0.00 C ATOM 888 CD ARG A 136 3.425 6.630 -12.405 1.00 0.00 C ATOM 889 NE ARG A 136 3.653 6.686 -10.948 1.00 0.00 N ATOM 890 CZ ARG A 136 4.808 6.420 -10.342 1.00 0.00 C ATOM 891 NH1 ARG A 136 5.912 6.164 -11.022 1.00 0.00 N ATOM 892 NH2 ARG A 136 4.900 6.409 -9.020 1.00 0.00 N ATOM 0 H ARG A 136 -0.119 4.488 -13.028 1.00 0.00 H new ATOM 0 HA ARG A 136 1.390 3.601 -15.386 1.00 0.00 H new ATOM 0 HB2 ARG A 136 3.364 4.787 -14.405 1.00 0.00 H new ATOM 0 HB3 ARG A 136 2.056 5.897 -14.764 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.393 5.967 -12.411 1.00 0.00 H new ATOM 0 HG3 ARG A 136 2.555 4.719 -12.004 1.00 0.00 H new ATOM 0 HD2 ARG A 136 4.351 6.390 -12.928 1.00 0.00 H new ATOM 0 HD3 ARG A 136 3.090 7.598 -12.778 1.00 0.00 H new ATOM 0 HE ARG A 136 2.863 6.949 -10.359 1.00 0.00 H new ATOM 0 HH11 ARG A 136 5.895 6.167 -12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 136 6.781 5.964 -10.527 1.00 0.00 H new ATOM 0 HH21 ARG A 136 4.078 6.606 -8.450 1.00 0.00 H new ATOM 0 HH22 ARG A 136 5.793 6.203 -8.573 1.00 0.00 H new ATOM 893 N THR A 137 1.264 2.338 -12.467 1.00 0.00 N ATOM 894 CA THR A 137 1.619 1.220 -11.597 1.00 0.00 C ATOM 895 C THR A 137 0.980 -0.075 -12.080 1.00 0.00 C ATOM 896 O THR A 137 -0.224 -0.309 -11.974 1.00 0.00 O ATOM 897 CB THR A 137 1.182 1.499 -10.162 1.00 0.00 C ATOM 898 OG1 THR A 137 -0.148 1.992 -10.161 1.00 0.00 O ATOM 899 CG2 THR A 137 2.141 2.452 -9.436 1.00 0.00 C ATOM 0 H THR A 137 0.452 2.863 -12.141 1.00 0.00 H new ATOM 0 HA THR A 137 2.703 1.108 -11.628 1.00 0.00 H new ATOM 0 HB THR A 137 1.213 0.562 -9.606 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.705 1.430 -9.582 1.00 0.00 H new ATOM 0 HG21 THR A 137 1.787 2.619 -8.419 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.138 2.012 -9.405 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.181 3.403 -9.967 1.00 0.00 H new ATOM 900 N HIS A 138 1.838 -0.834 -12.742 1.00 0.00 N ATOM 901 CA HIS A 138 1.562 -2.190 -13.245 1.00 0.00 C ATOM 902 C HIS A 138 2.846 -2.989 -13.402 1.00 0.00 C ATOM 903 O HIS A 138 3.985 -2.500 -13.376 1.00 0.00 O ATOM 904 CB HIS A 138 0.722 -2.185 -14.526 1.00 0.00 C ATOM 905 CG HIS A 138 1.246 -1.231 -15.601 1.00 0.00 C ATOM 906 ND1 HIS A 138 2.402 -1.333 -16.251 1.00 0.00 N ATOM 907 CD2 HIS A 138 0.690 -0.059 -15.917 1.00 0.00 C ATOM 908 CE1 HIS A 138 2.590 -0.200 -16.928 1.00 0.00 C ATOM 909 NE2 HIS A 138 1.531 0.573 -16.724 1.00 0.00 N ATOM 0 H HIS A 138 2.784 -0.520 -12.957 1.00 0.00 H new ATOM 0 HA HIS A 138 0.953 -2.692 -12.493 1.00 0.00 H new ATOM 0 HB2 HIS A 138 0.691 -3.196 -14.933 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -0.303 -1.910 -14.277 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -0.268 0.307 -15.578 1.00 0.00 H new ATOM 0 HE1 HIS A 138 3.450 0.045 -17.534 1.00 0.00 H new ATOM 0 HE2 HIS A 138 1.387 1.501 -17.123 1.00 0.00 H new ATOM 910 N TYR A 139 2.587 -4.288 -13.336 1.00 0.00 N ATOM 911 CA TYR A 139 3.586 -5.348 -13.378 1.00 0.00 C ATOM 912 C TYR A 139 4.481 -5.311 -14.623 1.00 0.00 C ATOM 913 O TYR A 139 4.089 -4.982 -15.743 1.00 0.00 O ATOM 914 CB TYR A 139 2.818 -6.655 -13.231 1.00 0.00 C ATOM 915 CG TYR A 139 3.713 -7.873 -12.978 1.00 0.00 C ATOM 916 CD1 TYR A 139 4.683 -7.858 -11.937 1.00 0.00 C ATOM 917 CD2 TYR A 139 3.525 -8.998 -13.801 1.00 0.00 C ATOM 918 CE1 TYR A 139 5.471 -8.994 -11.722 1.00 0.00 C ATOM 919 CE2 TYR A 139 4.326 -10.139 -13.581 1.00 0.00 C ATOM 920 CZ TYR A 139 5.267 -10.130 -12.537 1.00 0.00 C ATOM 921 OH TYR A 139 5.931 -11.274 -12.250 1.00 0.00 O ATOM 0 H TYR A 139 1.636 -4.647 -13.248 1.00 0.00 H new ATOM 0 HA TYR A 139 4.303 -5.222 -12.567 1.00 0.00 H new ATOM 0 HB2 TYR A 139 2.110 -6.559 -12.408 1.00 0.00 H new ATOM 0 HB3 TYR A 139 2.234 -6.826 -14.135 1.00 0.00 H new ATOM 0 HD1 TYR A 139 4.809 -6.980 -11.320 1.00 0.00 H new ATOM 0 HD2 TYR A 139 2.783 -8.989 -14.585 1.00 0.00 H new ATOM 0 HE1 TYR A 139 6.222 -9.002 -10.946 1.00 0.00 H new ATOM 0 HE2 TYR A 139 4.217 -11.011 -14.209 1.00 0.00 H new ATOM 0 HH TYR A 139 5.686 -11.966 -12.899 1.00 0.00 H new ATOM 922 N GLY A 140 5.643 -5.860 -14.332 1.00 0.00 N ATOM 923 CA GLY A 140 6.879 -5.752 -15.131 1.00 0.00 C ATOM 924 C GLY A 140 7.914 -4.893 -14.386 1.00 0.00 C ATOM 925 O GLY A 140 9.043 -5.321 -14.145 1.00 0.00 O ATOM 0 H GLY A 140 5.773 -6.425 -13.493 1.00 0.00 H new ATOM 0 HA2 GLY A 140 7.287 -6.745 -15.321 1.00 0.00 H new ATOM 0 HA3 GLY A 140 6.657 -5.308 -16.101 1.00 0.00 H new ATOM 926 N GLN A 141 7.399 -3.814 -13.801 1.00 0.00 N ATOM 927 CA GLN A 141 8.167 -2.777 -13.103 1.00 0.00 C ATOM 928 C GLN A 141 8.241 -3.069 -11.596 1.00 0.00 C ATOM 929 O GLN A 141 7.226 -3.244 -10.915 1.00 0.00 O ATOM 930 CB GLN A 141 7.350 -1.509 -13.316 1.00 0.00 C ATOM 931 CG GLN A 141 8.182 -0.353 -13.872 1.00 0.00 C ATOM 932 CD GLN A 141 7.304 0.857 -14.211 1.00 0.00 C ATOM 933 OE1 GLN A 141 6.132 0.663 -14.787 1.00 0.00 O flip ATOM 934 NE2 GLN A 141 7.696 2.003 -14.009 1.00 0.00 N flip ATOM 0 H GLN A 141 6.396 -3.628 -13.798 1.00 0.00 H new ATOM 0 HA GLN A 141 9.190 -2.712 -13.472 1.00 0.00 H new ATOM 0 HB2 GLN A 141 6.529 -1.722 -14.001 1.00 0.00 H new ATOM 0 HB3 GLN A 141 6.904 -1.206 -12.369 1.00 0.00 H new ATOM 0 HG2 GLN A 141 8.938 -0.063 -13.142 1.00 0.00 H new ATOM 0 HG3 GLN A 141 8.712 -0.681 -14.766 1.00 0.00 H new ATOM 0 HE21 GLN A 141 8.600 2.162 -13.565 1.00 0.00 H new ATOM 0 HE22 GLN A 141 7.117 2.796 -14.286 1.00 0.00 H new ATOM 935 N LYS A 142 9.462 -2.920 -11.098 1.00 0.00 N ATOM 936 CA LYS A 142 9.771 -2.933 -9.647 1.00 0.00 C ATOM 937 C LYS A 142 8.977 -1.926 -8.793 1.00 0.00 C ATOM 938 O LYS A 142 8.786 -2.132 -7.601 1.00 0.00 O ATOM 939 CB LYS A 142 11.284 -2.879 -9.403 1.00 0.00 C ATOM 940 CG LYS A 142 12.058 -1.775 -10.142 1.00 0.00 C ATOM 941 CD LYS A 142 11.818 -0.386 -9.545 1.00 0.00 C ATOM 942 CE LYS A 142 12.446 0.688 -10.436 1.00 0.00 C ATOM 943 NZ LYS A 142 12.172 1.977 -9.800 1.00 0.00 N ATOM 0 H LYS A 142 10.285 -2.784 -11.685 1.00 0.00 H new ATOM 0 HA LYS A 142 9.409 -3.894 -9.282 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.453 -2.757 -8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.710 -3.842 -9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 142 13.124 -2.001 -10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 142 11.764 -1.771 -11.192 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.748 -0.205 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 142 12.245 -0.334 -8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 142 13.519 0.527 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 142 12.022 0.654 -11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.954 2.634 -9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.287 2.370 -10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 12.080 1.845 -8.773 1.00 0.00 H new ATOM 944 N ALA A 143 8.427 -0.923 -9.480 1.00 0.00 N ATOM 945 CA ALA A 143 7.413 0.013 -8.953 1.00 0.00 C ATOM 946 C ALA A 143 6.333 -0.664 -8.097 1.00 0.00 C ATOM 947 O ALA A 143 6.131 -0.284 -6.954 1.00 0.00 O ATOM 948 CB ALA A 143 6.752 0.740 -10.131 1.00 0.00 C ATOM 0 H ALA A 143 8.678 -0.728 -10.449 1.00 0.00 H new ATOM 0 HA ALA A 143 7.932 0.710 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.001 1.434 -9.755 1.00 0.00 H new ATOM 0 HB2 ALA A 143 7.509 1.291 -10.689 1.00 0.00 H new ATOM 0 HB3 ALA A 143 6.276 0.011 -10.787 1.00 0.00 H new ATOM 949 N ILE A 144 5.911 -1.847 -8.551 1.00 0.00 N ATOM 950 CA ILE A 144 4.823 -2.605 -7.892 1.00 0.00 C ATOM 951 C ILE A 144 5.322 -3.695 -6.925 1.00 0.00 C ATOM 952 O ILE A 144 4.546 -4.289 -6.195 1.00 0.00 O ATOM 953 CB ILE A 144 3.839 -3.194 -8.927 1.00 0.00 C ATOM 954 CG1 ILE A 144 4.427 -4.356 -9.727 1.00 0.00 C ATOM 955 CG2 ILE A 144 3.310 -2.120 -9.880 1.00 0.00 C ATOM 956 CD1 ILE A 144 3.603 -5.612 -9.497 1.00 0.00 C ATOM 0 H ILE A 144 6.301 -2.308 -9.373 1.00 0.00 H new ATOM 0 HA ILE A 144 4.292 -1.878 -7.278 1.00 0.00 H new ATOM 0 HB ILE A 144 3.009 -3.590 -8.342 1.00 0.00 H new ATOM 0 HG12 ILE A 144 4.440 -4.108 -10.788 1.00 0.00 H new ATOM 0 HG13 ILE A 144 5.461 -4.529 -9.427 1.00 0.00 H new ATOM 0 HG21 ILE A 144 2.621 -2.573 -10.593 1.00 0.00 H new ATOM 0 HG22 ILE A 144 2.788 -1.352 -9.309 1.00 0.00 H new ATOM 0 HG23 ILE A 144 4.144 -1.668 -10.418 1.00 0.00 H new ATOM 0 HD11 ILE A 144 4.028 -6.436 -10.070 1.00 0.00 H new ATOM 0 HD12 ILE A 144 3.613 -5.865 -8.437 1.00 0.00 H new ATOM 0 HD13 ILE A 144 2.576 -5.438 -9.819 1.00 0.00 H new ATOM 957 N LEU A 145 6.642 -3.867 -6.877 1.00 0.00 N ATOM 958 CA LEU A 145 7.303 -4.915 -6.088 1.00 0.00 C ATOM 959 C LEU A 145 7.354 -4.515 -4.612 1.00 0.00 C ATOM 960 O LEU A 145 8.187 -3.710 -4.180 1.00 0.00 O ATOM 961 CB LEU A 145 8.705 -5.174 -6.657 1.00 0.00 C ATOM 962 CG LEU A 145 8.766 -6.382 -7.601 1.00 0.00 C ATOM 963 CD1 LEU A 145 7.852 -6.277 -8.825 1.00 0.00 C ATOM 964 CD2 LEU A 145 10.220 -6.592 -8.051 1.00 0.00 C ATOM 0 H LEU A 145 7.295 -3.276 -7.391 1.00 0.00 H new ATOM 0 HA LEU A 145 6.732 -5.841 -6.153 1.00 0.00 H new ATOM 0 HB2 LEU A 145 9.041 -4.286 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 145 9.400 -5.331 -5.832 1.00 0.00 H new ATOM 0 HG LEU A 145 8.398 -7.237 -7.034 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.959 -7.173 -9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 145 6.816 -6.182 -8.499 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.129 -5.402 -9.412 1.00 0.00 H new ATOM 0 HD21 LEU A 145 10.273 -7.449 -8.723 1.00 0.00 H new ATOM 0 HD22 LEU A 145 10.572 -5.701 -8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 145 10.848 -6.775 -7.179 1.00 0.00 H new ATOM 965 N PHE A 146 6.330 -4.967 -3.894 1.00 0.00 N ATOM 966 CA PHE A 146 6.178 -4.702 -2.463 1.00 0.00 C ATOM 967 C PHE A 146 6.178 -6.039 -1.733 1.00 0.00 C ATOM 968 O PHE A 146 5.645 -7.049 -2.199 1.00 0.00 O ATOM 969 CB PHE A 146 4.870 -3.969 -2.161 1.00 0.00 C ATOM 970 CG PHE A 146 4.795 -2.482 -2.555 1.00 0.00 C ATOM 971 CD1 PHE A 146 5.231 -2.016 -3.810 1.00 0.00 C ATOM 972 CD2 PHE A 146 4.251 -1.574 -1.611 1.00 0.00 C ATOM 973 CE1 PHE A 146 5.139 -0.643 -4.140 1.00 0.00 C ATOM 974 CE2 PHE A 146 4.155 -0.196 -1.928 1.00 0.00 C ATOM 975 CZ PHE A 146 4.602 0.251 -3.188 1.00 0.00 C ATOM 0 H PHE A 146 5.577 -5.531 -4.289 1.00 0.00 H new ATOM 0 HA PHE A 146 7.001 -4.067 -2.133 1.00 0.00 H new ATOM 0 HB2 PHE A 146 4.062 -4.495 -2.669 1.00 0.00 H new ATOM 0 HB3 PHE A 146 4.678 -4.046 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 146 5.639 -2.713 -4.527 1.00 0.00 H new ATOM 0 HD2 PHE A 146 3.910 -1.933 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.473 -0.285 -5.103 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.745 0.502 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.532 1.301 -3.431 1.00 0.00 H new ATOM 976 N LEU A 147 6.870 -5.993 -0.613 1.00 0.00 N ATOM 977 CA LEU A 147 7.150 -7.167 0.204 1.00 0.00 C ATOM 978 C LEU A 147 6.685 -6.939 1.653 1.00 0.00 C ATOM 979 O LEU A 147 7.157 -6.018 2.326 1.00 0.00 O ATOM 980 CB LEU A 147 8.651 -7.467 0.132 1.00 0.00 C ATOM 981 CG LEU A 147 8.976 -8.897 0.593 1.00 0.00 C ATOM 982 CD1 LEU A 147 8.381 -9.956 -0.332 1.00 0.00 C ATOM 983 CD2 LEU A 147 10.497 -9.065 0.622 1.00 0.00 C ATOM 0 H LEU A 147 7.261 -5.130 -0.235 1.00 0.00 H new ATOM 0 HA LEU A 147 6.599 -8.028 -0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 147 9.000 -7.328 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 147 9.193 -6.754 0.753 1.00 0.00 H new ATOM 0 HG LEU A 147 8.538 -9.038 1.581 1.00 0.00 H new ATOM 0 HD11 LEU A 147 8.639 -10.948 0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.297 -9.849 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 147 8.782 -9.828 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 147 10.745 -10.075 0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 147 10.901 -8.896 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 147 10.930 -8.344 1.316 1.00 0.00 H new ATOM 984 N PRO A 148 5.633 -7.659 2.039 1.00 0.00 N ATOM 985 CA PRO A 148 5.211 -7.745 3.444 1.00 0.00 C ATOM 986 C PRO A 148 6.343 -8.320 4.294 1.00 0.00 C ATOM 987 O PRO A 148 6.986 -9.299 3.913 1.00 0.00 O ATOM 988 CB PRO A 148 4.037 -8.730 3.411 1.00 0.00 C ATOM 989 CG PRO A 148 3.404 -8.473 2.051 1.00 0.00 C ATOM 990 CD PRO A 148 4.612 -8.250 1.144 1.00 0.00 C ATOM 0 HA PRO A 148 4.947 -6.777 3.869 1.00 0.00 H new ATOM 0 HB2 PRO A 148 4.374 -9.762 3.509 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.334 -8.546 4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 148 2.802 -9.319 1.720 1.00 0.00 H new ATOM 0 HG3 PRO A 148 2.748 -7.603 2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 148 4.960 -9.186 0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 148 4.372 -7.581 0.317 1.00 0.00 H new ATOM 991 N LEU A 149 6.718 -7.539 5.303 1.00 0.00 N ATOM 992 CA LEU A 149 7.558 -8.015 6.428 1.00 0.00 C ATOM 993 C LEU A 149 6.799 -7.856 7.764 1.00 0.00 C ATOM 994 O LEU A 149 7.120 -6.983 8.566 1.00 0.00 O ATOM 995 CB LEU A 149 8.906 -7.276 6.410 1.00 0.00 C ATOM 996 CG LEU A 149 9.756 -7.662 5.197 1.00 0.00 C ATOM 997 CD1 LEU A 149 10.880 -6.649 5.010 1.00 0.00 C ATOM 998 CD2 LEU A 149 10.310 -9.081 5.314 1.00 0.00 C ATOM 0 H LEU A 149 6.455 -6.556 5.376 1.00 0.00 H new ATOM 0 HA LEU A 149 7.771 -9.078 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 149 8.730 -6.200 6.401 1.00 0.00 H new ATOM 0 HB3 LEU A 149 9.455 -7.502 7.324 1.00 0.00 H new ATOM 0 HG LEU A 149 9.114 -7.648 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 149 11.482 -6.929 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 149 10.454 -5.658 4.851 1.00 0.00 H new ATOM 0 HD13 LEU A 149 11.509 -6.635 5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.907 -9.313 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 149 10.935 -9.156 6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.485 -9.789 5.390 1.00 0.00 H new ATOM 999 N PRO A 150 5.756 -8.666 8.001 1.00 0.00 N ATOM 1000 CA PRO A 150 4.877 -8.425 9.139 1.00 0.00 C ATOM 1001 C PRO A 150 5.349 -9.049 10.453 1.00 0.00 C ATOM 1002 O PRO A 150 5.723 -10.215 10.547 1.00 0.00 O ATOM 1003 CB PRO A 150 3.509 -8.886 8.657 1.00 0.00 C ATOM 1004 CG PRO A 150 3.812 -10.021 7.685 1.00 0.00 C ATOM 1005 CD PRO A 150 5.218 -9.750 7.148 1.00 0.00 C ATOM 0 HA PRO A 150 4.862 -7.373 9.425 1.00 0.00 H new ATOM 0 HB2 PRO A 150 2.890 -9.228 9.486 1.00 0.00 H new ATOM 0 HB3 PRO A 150 2.967 -8.077 8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 150 3.765 -10.988 8.187 1.00 0.00 H new ATOM 0 HG3 PRO A 150 3.083 -10.047 6.875 1.00 0.00 H new ATOM 0 HD2 PRO A 150 5.841 -10.643 7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 150 5.189 -9.449 6.101 1.00 0.00 H new