USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 862 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 94 THR OG1 : rot -160:sc= -1.87! USER MOD Set 1.2: A 96 TYR OH : rot 21:sc= 1.05 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 2 LYS NZ :NH3+ -118:sc= 1.24 (180deg=-0.258) USER MOD Single : A 4 LYS NZ :NH3+ 144:sc= 2.35 (180deg=0.46) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.49 USER MOD Single : A 10 THR OG1 : rot -34:sc= 0.242 USER MOD Single : A 11 SER OG : rot -14:sc= -2.44! USER MOD Single : A 13 SER OG : rot 96:sc= -0.181 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0381) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0159) USER MOD Single : A 43 HIS : no HD1:sc=-0.00803 X(o=-0.008,f=-0.14) USER MOD Single : A 45 ASN : amide:sc= -0.0231 K(o=-0.023,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.914 X(o=-0.91,f=-0.5) USER MOD Single : A 69 ASN : amide:sc= -0.0418 K(o=-0.042,f=-2.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -3.22! C(o=-3.2!,f=-17!) USER MOD Single : A 79 ASN : amide:sc= -0.486 K(o=-0.49,f=-1.7) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= -0.0503 (180deg=-0.442) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 85 ASN : amide:sc= -2.05! C(o=-2.1!,f=-2.3!) USER MOD Single : A 88 MET CE :methyl 157:sc= -0.0797 (180deg=-0.682) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.504 K(o=-0.5,f=-3.8!) USER MOD Single : A 93 ASN : amide:sc= -2.81! C(o=-2.8!,f=-5.6!) USER MOD Single : A 97 SER OG : rot 176:sc= 1.04 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.9!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= -5.99! (180deg=-5.99!) USER MOD Single : A 117 ASN : amide:sc= -0.099 K(o=-0.099,f=-1.3!) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 25:sc= -0.0182 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 116.950 12.182 -4.713 1.00 0.00 N ATOM 19 CA LYS A 2 116.627 10.756 -4.424 1.00 0.00 C ATOM 20 C LYS A 2 116.654 10.531 -2.913 1.00 0.00 C ATOM 21 O LYS A 2 117.257 11.281 -2.174 1.00 0.00 O ATOM 22 CB LYS A 2 117.664 9.855 -5.102 1.00 0.00 C ATOM 23 CG LYS A 2 117.761 10.206 -6.591 1.00 0.00 C ATOM 24 CD LYS A 2 116.514 9.708 -7.327 1.00 0.00 C ATOM 25 CE LYS A 2 116.651 10.000 -8.821 1.00 0.00 C ATOM 26 NZ LYS A 2 115.442 9.502 -9.537 1.00 0.00 N ATOM 0 HA LYS A 2 115.636 10.515 -4.807 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.636 9.981 -4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.384 8.808 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 2 117.860 11.285 -6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 2 118.654 9.753 -7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 2 116.387 8.638 -7.165 1.00 0.00 H new ATOM 0 HD3 LYS A 2 115.625 10.198 -6.930 1.00 0.00 H new ATOM 0 HE2 LYS A 2 116.768 11.071 -8.984 1.00 0.00 H new ATOM 0 HE3 LYS A 2 117.545 9.518 -9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 115.720 8.766 -10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 114.772 9.102 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 114.990 10.289 -10.044 1.00 0.00 H new ATOM 40 N VAL A 3 115.989 9.509 -2.446 1.00 0.00 N ATOM 41 CA VAL A 3 115.958 9.241 -0.979 1.00 0.00 C ATOM 42 C VAL A 3 116.898 8.084 -0.640 1.00 0.00 C ATOM 43 O VAL A 3 116.883 7.053 -1.281 1.00 0.00 O ATOM 44 CB VAL A 3 114.532 8.859 -0.568 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.529 8.354 0.880 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.618 10.081 -0.691 1.00 0.00 C ATOM 0 H VAL A 3 115.465 8.847 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 3 116.277 10.136 -0.445 1.00 0.00 H new ATOM 0 HB VAL A 3 114.167 8.068 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.513 8.083 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.175 7.480 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.897 9.140 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.604 9.808 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.982 10.875 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.616 10.431 -1.723 1.00 0.00 H new ATOM 56 N LYS A 4 117.715 8.243 0.370 1.00 0.00 N ATOM 57 CA LYS A 4 118.640 7.137 0.742 1.00 0.00 C ATOM 58 C LYS A 4 117.808 5.929 1.166 1.00 0.00 C ATOM 59 O LYS A 4 117.071 5.982 2.131 1.00 0.00 O ATOM 60 CB LYS A 4 119.537 7.573 1.906 1.00 0.00 C ATOM 61 CG LYS A 4 120.602 8.553 1.407 1.00 0.00 C ATOM 62 CD LYS A 4 121.795 7.775 0.845 1.00 0.00 C ATOM 63 CE LYS A 4 122.873 8.757 0.385 1.00 0.00 C ATOM 64 NZ LYS A 4 123.394 9.512 1.560 1.00 0.00 N ATOM 0 H LYS A 4 117.780 9.082 0.946 1.00 0.00 H new ATOM 0 HA LYS A 4 119.269 6.881 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 4 118.935 8.042 2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.014 6.702 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 4 120.182 9.200 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 4 120.928 9.198 2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 4 122.198 7.106 1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 4 121.475 7.152 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 4 123.685 8.219 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.460 9.448 -0.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 124.413 9.682 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 122.898 10.423 1.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 123.235 8.959 2.426 1.00 0.00 H new ATOM 78 N GLY A 5 117.917 4.844 0.457 1.00 0.00 N ATOM 79 CA GLY A 5 117.121 3.641 0.822 1.00 0.00 C ATOM 80 C GLY A 5 117.414 2.514 -0.164 1.00 0.00 C ATOM 81 O GLY A 5 117.819 2.746 -1.292 1.00 0.00 O ATOM 0 H GLY A 5 118.521 4.737 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.367 3.324 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.057 3.879 0.812 1.00 0.00 H new ATOM 85 N CYS A 6 117.211 1.292 0.252 1.00 0.00 N ATOM 86 CA CYS A 6 117.475 0.140 -0.654 1.00 0.00 C ATOM 87 C CYS A 6 116.158 -0.351 -1.251 1.00 0.00 C ATOM 88 O CYS A 6 115.175 -0.547 -0.555 1.00 0.00 O ATOM 89 CB CYS A 6 118.129 -0.987 0.146 1.00 0.00 C ATOM 90 SG CYS A 6 119.038 -2.083 -0.971 1.00 0.00 S ATOM 0 H CYS A 6 116.873 1.043 1.182 1.00 0.00 H new ATOM 0 HA CYS A 6 118.141 0.450 -1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.806 -0.571 0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.368 -1.552 0.685 1.00 0.00 H new ATOM 95 N ASP A 7 116.129 -0.547 -2.541 1.00 0.00 N ATOM 96 CA ASP A 7 114.881 -1.031 -3.195 1.00 0.00 C ATOM 97 C ASP A 7 115.041 -2.509 -3.559 1.00 0.00 C ATOM 98 O ASP A 7 115.762 -2.857 -4.473 1.00 0.00 O ATOM 99 CB ASP A 7 114.624 -0.216 -4.465 1.00 0.00 C ATOM 100 CG ASP A 7 113.198 -0.467 -4.955 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.543 -1.332 -4.394 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.784 0.206 -5.885 1.00 0.00 O ATOM 0 H ASP A 7 116.917 -0.393 -3.170 1.00 0.00 H new ATOM 0 HA ASP A 7 114.040 -0.913 -2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.769 0.845 -4.264 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.340 -0.494 -5.239 1.00 0.00 H new ATOM 107 N PHE A 8 114.363 -3.379 -2.861 1.00 0.00 N ATOM 108 CA PHE A 8 114.469 -4.832 -3.176 1.00 0.00 C ATOM 109 C PHE A 8 113.426 -5.185 -4.238 1.00 0.00 C ATOM 110 O PHE A 8 113.310 -6.316 -4.664 1.00 0.00 O ATOM 111 CB PHE A 8 114.207 -5.653 -1.912 1.00 0.00 C ATOM 112 CG PHE A 8 115.289 -5.385 -0.893 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.507 -6.069 -0.969 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.071 -4.457 0.132 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.508 -5.824 -0.022 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.071 -4.212 1.079 1.00 0.00 C ATOM 117 CZ PHE A 8 117.290 -4.896 1.003 1.00 0.00 C ATOM 0 H PHE A 8 113.741 -3.147 -2.087 1.00 0.00 H new ATOM 0 HA PHE A 8 115.469 -5.056 -3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.232 -5.397 -1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.180 -6.715 -2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.675 -6.786 -1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.130 -3.930 0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.449 -6.351 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.903 -3.495 1.869 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.062 -4.708 1.735 1.00 0.00 H new ATOM 127 N THR A 9 112.651 -4.218 -4.650 1.00 0.00 N ATOM 128 CA THR A 9 111.596 -4.486 -5.668 1.00 0.00 C ATOM 129 C THR A 9 112.057 -4.018 -7.052 1.00 0.00 C ATOM 130 O THR A 9 111.488 -4.392 -8.057 1.00 0.00 O ATOM 131 CB THR A 9 110.324 -3.728 -5.278 1.00 0.00 C ATOM 132 OG1 THR A 9 110.058 -3.931 -3.897 1.00 0.00 O ATOM 133 CG2 THR A 9 109.146 -4.241 -6.106 1.00 0.00 C ATOM 0 H THR A 9 112.704 -3.253 -4.325 1.00 0.00 H new ATOM 0 HA THR A 9 111.401 -5.558 -5.706 1.00 0.00 H new ATOM 0 HB THR A 9 110.463 -2.664 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.245 -3.445 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.242 -3.700 -5.827 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.350 -4.084 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.005 -5.305 -5.917 1.00 0.00 H new ATOM 141 N THR A 10 113.070 -3.196 -7.122 1.00 0.00 N ATOM 142 CA THR A 10 113.530 -2.715 -8.457 1.00 0.00 C ATOM 143 C THR A 10 114.991 -2.263 -8.381 1.00 0.00 C ATOM 144 O THR A 10 115.352 -1.420 -7.583 1.00 0.00 O ATOM 145 CB THR A 10 112.657 -1.537 -8.894 1.00 0.00 C ATOM 146 OG1 THR A 10 111.294 -1.841 -8.638 1.00 0.00 O ATOM 147 CG2 THR A 10 112.852 -1.278 -10.389 1.00 0.00 C ATOM 0 H THR A 10 113.594 -2.840 -6.322 1.00 0.00 H new ATOM 0 HA THR A 10 113.448 -3.528 -9.178 1.00 0.00 H new ATOM 0 HB THR A 10 112.943 -0.646 -8.335 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.144 -2.801 -8.765 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.229 -0.438 -10.697 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.899 -1.044 -10.584 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.568 -2.167 -10.952 1.00 0.00 H new ATOM 155 N SER A 11 115.832 -2.813 -9.217 1.00 0.00 N ATOM 156 CA SER A 11 117.267 -2.406 -9.195 1.00 0.00 C ATOM 157 C SER A 11 117.379 -0.956 -9.659 1.00 0.00 C ATOM 158 O SER A 11 118.291 -0.239 -9.291 1.00 0.00 O ATOM 159 CB SER A 11 118.069 -3.306 -10.134 1.00 0.00 C ATOM 160 OG SER A 11 117.546 -3.199 -11.451 1.00 0.00 O ATOM 0 H SER A 11 115.589 -3.522 -9.909 1.00 0.00 H new ATOM 0 HA SER A 11 117.661 -2.501 -8.183 1.00 0.00 H new ATOM 0 HB2 SER A 11 119.120 -3.017 -10.124 1.00 0.00 H new ATOM 0 HB3 SER A 11 118.020 -4.341 -9.794 1.00 0.00 H new ATOM 0 HG SER A 11 116.667 -2.767 -11.420 1.00 0.00 H new ATOM 166 N GLU A 12 116.446 -0.517 -10.462 1.00 0.00 N ATOM 167 CA GLU A 12 116.480 0.888 -10.956 1.00 0.00 C ATOM 168 C GLU A 12 115.352 1.673 -10.285 1.00 0.00 C ATOM 169 O GLU A 12 114.356 1.996 -10.902 1.00 0.00 O ATOM 170 CB GLU A 12 116.272 0.898 -12.472 1.00 0.00 C ATOM 171 CG GLU A 12 117.433 0.173 -13.158 1.00 0.00 C ATOM 172 CD GLU A 12 117.161 -1.332 -13.165 1.00 0.00 C ATOM 173 OE1 GLU A 12 116.176 -1.738 -12.572 1.00 0.00 O ATOM 174 OE2 GLU A 12 117.948 -2.054 -13.754 1.00 0.00 O ATOM 0 H GLU A 12 115.660 -1.074 -10.797 1.00 0.00 H new ATOM 0 HA GLU A 12 117.442 1.342 -10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.329 0.412 -12.722 1.00 0.00 H new ATOM 0 HB3 GLU A 12 116.208 1.924 -12.833 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.551 0.537 -14.179 1.00 0.00 H new ATOM 0 HG3 GLU A 12 118.366 0.382 -12.635 1.00 0.00 H new ATOM 181 N SER A 13 115.496 1.970 -9.025 1.00 0.00 N ATOM 182 CA SER A 13 114.427 2.720 -8.309 1.00 0.00 C ATOM 183 C SER A 13 114.438 4.186 -8.735 1.00 0.00 C ATOM 184 O SER A 13 115.425 4.703 -9.217 1.00 0.00 O ATOM 185 CB SER A 13 114.661 2.632 -6.805 1.00 0.00 C ATOM 186 OG SER A 13 113.454 2.963 -6.130 1.00 0.00 O ATOM 0 H SER A 13 116.309 1.726 -8.459 1.00 0.00 H new ATOM 0 HA SER A 13 113.461 2.281 -8.558 1.00 0.00 H new ATOM 0 HB2 SER A 13 114.982 1.627 -6.532 1.00 0.00 H new ATOM 0 HB3 SER A 13 115.458 3.313 -6.507 1.00 0.00 H new ATOM 0 HG SER A 13 112.970 2.142 -5.903 1.00 0.00 H new ATOM 192 N THR A 14 113.340 4.860 -8.547 1.00 0.00 N ATOM 193 CA THR A 14 113.268 6.299 -8.915 1.00 0.00 C ATOM 194 C THR A 14 113.367 7.143 -7.642 1.00 0.00 C ATOM 195 O THR A 14 114.113 8.100 -7.569 1.00 0.00 O ATOM 196 CB THR A 14 111.935 6.578 -9.619 1.00 0.00 C ATOM 197 OG1 THR A 14 111.645 7.967 -9.551 1.00 0.00 O ATOM 198 CG2 THR A 14 110.818 5.786 -8.937 1.00 0.00 C ATOM 0 H THR A 14 112.483 4.473 -8.151 1.00 0.00 H new ATOM 0 HA THR A 14 114.088 6.553 -9.587 1.00 0.00 H new ATOM 0 HB THR A 14 112.006 6.273 -10.663 1.00 0.00 H new ATOM 0 HG1 THR A 14 110.794 8.146 -10.002 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.871 5.986 -9.439 1.00 0.00 H new ATOM 0 HG22 THR A 14 111.041 4.720 -8.993 1.00 0.00 H new ATOM 0 HG23 THR A 14 110.745 6.086 -7.892 1.00 0.00 H new ATOM 206 N ILE A 15 112.590 6.804 -6.648 1.00 0.00 N ATOM 207 CA ILE A 15 112.603 7.585 -5.384 1.00 0.00 C ATOM 208 C ILE A 15 113.696 7.059 -4.450 1.00 0.00 C ATOM 209 O ILE A 15 114.037 7.696 -3.474 1.00 0.00 O ATOM 210 CB ILE A 15 111.237 7.459 -4.699 1.00 0.00 C ATOM 211 CG1 ILE A 15 110.858 5.981 -4.588 1.00 0.00 C ATOM 212 CG2 ILE A 15 110.177 8.193 -5.521 1.00 0.00 C ATOM 213 CD1 ILE A 15 109.595 5.836 -3.737 1.00 0.00 C ATOM 0 H ILE A 15 111.944 6.015 -6.661 1.00 0.00 H new ATOM 0 HA ILE A 15 112.807 8.631 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 15 111.292 7.900 -3.704 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.690 5.563 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 15 111.677 5.418 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.208 8.101 -5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.444 9.247 -5.601 1.00 0.00 H new ATOM 0 HG23 ILE A 15 110.122 7.755 -6.518 1.00 0.00 H new ATOM 0 HD11 ILE A 15 109.327 4.782 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 15 109.780 6.238 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 15 108.777 6.385 -4.204 1.00 0.00 H new ATOM 225 N PHE A 16 114.253 5.909 -4.737 1.00 0.00 N ATOM 226 CA PHE A 16 115.324 5.358 -3.848 1.00 0.00 C ATOM 227 C PHE A 16 116.670 5.404 -4.576 1.00 0.00 C ATOM 228 O PHE A 16 116.770 5.099 -5.748 1.00 0.00 O ATOM 229 CB PHE A 16 114.996 3.911 -3.473 1.00 0.00 C ATOM 230 CG PHE A 16 113.791 3.885 -2.566 1.00 0.00 C ATOM 231 CD1 PHE A 16 113.884 4.379 -1.260 1.00 0.00 C ATOM 232 CD2 PHE A 16 112.575 3.368 -3.033 1.00 0.00 C ATOM 233 CE1 PHE A 16 112.765 4.357 -0.421 1.00 0.00 C ATOM 234 CE2 PHE A 16 111.456 3.346 -2.194 1.00 0.00 C ATOM 235 CZ PHE A 16 111.550 3.839 -0.887 1.00 0.00 C ATOM 0 H PHE A 16 114.015 5.330 -5.543 1.00 0.00 H new ATOM 0 HA PHE A 16 115.380 5.960 -2.941 1.00 0.00 H new ATOM 0 HB2 PHE A 16 114.800 3.327 -4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 16 115.849 3.451 -2.974 1.00 0.00 H new ATOM 0 HD1 PHE A 16 114.821 4.778 -0.899 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.502 2.987 -4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 16 112.838 4.740 0.586 1.00 0.00 H new ATOM 0 HE2 PHE A 16 110.519 2.948 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 16 110.686 3.820 -0.239 1.00 0.00 H new ATOM 245 N SER A 17 117.703 5.808 -3.887 1.00 0.00 N ATOM 246 CA SER A 17 119.050 5.903 -4.522 1.00 0.00 C ATOM 247 C SER A 17 119.663 4.516 -4.727 1.00 0.00 C ATOM 248 O SER A 17 120.485 4.328 -5.603 1.00 0.00 O ATOM 249 CB SER A 17 119.973 6.724 -3.621 1.00 0.00 C ATOM 250 OG SER A 17 121.055 7.230 -4.393 1.00 0.00 O ATOM 0 H SER A 17 117.672 6.078 -2.904 1.00 0.00 H new ATOM 0 HA SER A 17 118.938 6.381 -5.495 1.00 0.00 H new ATOM 0 HB2 SER A 17 119.420 7.546 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 17 120.350 6.105 -2.807 1.00 0.00 H new ATOM 0 HG SER A 17 121.648 7.758 -3.819 1.00 0.00 H new ATOM 256 N LYS A 18 119.295 3.547 -3.926 1.00 0.00 N ATOM 257 CA LYS A 18 119.900 2.188 -4.089 1.00 0.00 C ATOM 258 C LYS A 18 118.815 1.134 -4.309 1.00 0.00 C ATOM 259 O LYS A 18 117.818 1.098 -3.620 1.00 0.00 O ATOM 260 CB LYS A 18 120.692 1.843 -2.827 1.00 0.00 C ATOM 261 CG LYS A 18 121.838 2.841 -2.643 1.00 0.00 C ATOM 262 CD LYS A 18 122.884 2.631 -3.741 1.00 0.00 C ATOM 263 CE LYS A 18 124.220 3.220 -3.296 1.00 0.00 C ATOM 264 NZ LYS A 18 124.106 4.703 -3.213 1.00 0.00 N ATOM 0 H LYS A 18 118.610 3.635 -3.175 1.00 0.00 H new ATOM 0 HA LYS A 18 120.557 2.196 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.035 1.865 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.088 0.830 -2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.455 3.861 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.294 2.709 -1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 18 122.996 1.567 -3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.556 3.106 -4.665 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.505 2.812 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 18 125.004 2.944 -4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 125.050 5.117 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 123.691 5.069 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 123.497 4.960 -2.410 1.00 0.00 H new ATOM 278 N GLY A 19 119.016 0.267 -5.264 1.00 0.00 N ATOM 279 CA GLY A 19 118.010 -0.800 -5.529 1.00 0.00 C ATOM 280 C GLY A 19 118.728 -2.084 -5.950 1.00 0.00 C ATOM 281 O GLY A 19 119.838 -2.051 -6.441 1.00 0.00 O ATOM 0 H GLY A 19 119.834 0.252 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.412 -0.981 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.323 -0.481 -6.313 1.00 0.00 H new ATOM 285 N TYR A 20 118.100 -3.216 -5.764 1.00 0.00 N ATOM 286 CA TYR A 20 118.736 -4.511 -6.152 1.00 0.00 C ATOM 287 C TYR A 20 117.840 -5.245 -7.152 1.00 0.00 C ATOM 288 O TYR A 20 116.638 -5.071 -7.168 1.00 0.00 O ATOM 289 CB TYR A 20 118.920 -5.382 -4.910 1.00 0.00 C ATOM 290 CG TYR A 20 120.147 -4.938 -4.148 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.150 -3.710 -3.478 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.279 -5.761 -4.109 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.286 -3.306 -2.767 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.415 -5.356 -3.398 1.00 0.00 C ATOM 295 CZ TYR A 20 122.418 -4.127 -2.728 1.00 0.00 C ATOM 296 OH TYR A 20 123.536 -3.728 -2.026 1.00 0.00 O ATOM 0 H TYR A 20 117.168 -3.300 -5.358 1.00 0.00 H new ATOM 0 HA TYR A 20 119.706 -4.312 -6.608 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.039 -5.311 -4.272 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.020 -6.428 -5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.277 -3.075 -3.509 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.276 -6.708 -4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.289 -2.359 -2.248 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.288 -5.991 -3.367 1.00 0.00 H new ATOM 0 HH TYR A 20 124.231 -4.415 -2.101 1.00 0.00 H new ATOM 527 N ILE A 36 121.007 -10.512 2.501 1.00 0.00 N ATOM 528 CA ILE A 36 121.281 -9.319 1.651 1.00 0.00 C ATOM 529 C ILE A 36 121.332 -8.086 2.551 1.00 0.00 C ATOM 530 O ILE A 36 120.394 -7.797 3.268 1.00 0.00 O ATOM 531 CB ILE A 36 120.158 -9.152 0.626 1.00 0.00 C ATOM 532 CG1 ILE A 36 119.762 -10.524 0.071 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.646 -8.262 -0.520 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.002 -11.242 -0.457 1.00 0.00 C ATOM 0 HA ILE A 36 122.229 -9.443 1.127 1.00 0.00 H new ATOM 0 HB ILE A 36 119.294 -8.692 1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.289 -11.120 0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.030 -10.407 -0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 36 119.848 -8.141 -1.252 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.929 -7.285 -0.127 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.509 -8.725 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 36 120.717 -12.218 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 36 121.456 -10.648 -1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 36 121.719 -11.373 0.353 1.00 0.00 H new ATOM 546 N VAL A 37 122.421 -7.366 2.537 1.00 0.00 N ATOM 547 CA VAL A 37 122.528 -6.161 3.411 1.00 0.00 C ATOM 548 C VAL A 37 122.777 -4.914 2.567 1.00 0.00 C ATOM 549 O VAL A 37 123.709 -4.850 1.791 1.00 0.00 O ATOM 550 CB VAL A 37 123.695 -6.346 4.382 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.828 -5.102 5.262 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.436 -7.568 5.266 1.00 0.00 C ATOM 0 H VAL A 37 123.240 -7.559 1.960 1.00 0.00 H new ATOM 0 HA VAL A 37 121.595 -6.039 3.961 1.00 0.00 H new ATOM 0 HB VAL A 37 124.616 -6.494 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.660 -5.233 5.954 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.013 -4.230 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.907 -4.955 5.825 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.268 -7.699 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.515 -7.420 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.340 -8.456 4.641 1.00 0.00 H new ATOM 562 N CYS A 38 121.964 -3.907 2.738 1.00 0.00 N ATOM 563 CA CYS A 38 122.171 -2.648 1.971 1.00 0.00 C ATOM 564 C CYS A 38 122.802 -1.617 2.905 1.00 0.00 C ATOM 565 O CYS A 38 122.135 -1.025 3.731 1.00 0.00 O ATOM 566 CB CYS A 38 120.824 -2.117 1.473 1.00 0.00 C ATOM 567 SG CYS A 38 120.118 -3.265 0.263 1.00 0.00 S ATOM 0 H CYS A 38 121.167 -3.903 3.375 1.00 0.00 H new ATOM 0 HA CYS A 38 122.818 -2.836 1.114 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.139 -1.993 2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.955 -1.134 1.021 1.00 0.00 H new ATOM 572 N THR A 39 124.081 -1.395 2.787 1.00 0.00 N ATOM 573 CA THR A 39 124.746 -0.408 3.682 1.00 0.00 C ATOM 574 C THR A 39 124.816 0.953 2.992 1.00 0.00 C ATOM 575 O THR A 39 125.402 1.100 1.936 1.00 0.00 O ATOM 576 CB THR A 39 126.164 -0.886 4.005 1.00 0.00 C ATOM 577 OG1 THR A 39 126.096 -2.092 4.753 1.00 0.00 O ATOM 578 CG2 THR A 39 126.892 0.182 4.824 1.00 0.00 C ATOM 0 H THR A 39 124.693 -1.853 2.112 1.00 0.00 H new ATOM 0 HA THR A 39 124.171 -0.316 4.603 1.00 0.00 H new ATOM 0 HB THR A 39 126.708 -1.062 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.003 -2.401 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.901 -0.160 5.053 1.00 0.00 H new ATOM 0 HG22 THR A 39 126.944 1.108 4.251 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.350 0.361 5.753 1.00 0.00 H new ATOM 586 N VAL A 40 124.230 1.955 3.589 1.00 0.00 N ATOM 587 CA VAL A 40 124.270 3.316 2.979 1.00 0.00 C ATOM 588 C VAL A 40 124.481 4.351 4.084 1.00 0.00 C ATOM 589 O VAL A 40 124.172 4.112 5.235 1.00 0.00 O ATOM 590 CB VAL A 40 122.951 3.597 2.254 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.813 2.653 1.059 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.782 3.372 3.214 1.00 0.00 C ATOM 0 H VAL A 40 123.725 1.891 4.473 1.00 0.00 H new ATOM 0 HA VAL A 40 125.088 3.372 2.261 1.00 0.00 H new ATOM 0 HB VAL A 40 122.944 4.630 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.874 2.854 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.645 2.811 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.822 1.620 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 40 120.843 3.572 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.791 2.339 3.563 1.00 0.00 H new ATOM 0 HG23 VAL A 40 121.877 4.044 4.067 1.00 0.00 H new ATOM 602 N LYS A 41 124.996 5.502 3.750 1.00 0.00 N ATOM 603 CA LYS A 41 125.216 6.547 4.791 1.00 0.00 C ATOM 604 C LYS A 41 124.083 7.573 4.729 1.00 0.00 C ATOM 605 O LYS A 41 123.729 8.061 3.674 1.00 0.00 O ATOM 606 CB LYS A 41 126.553 7.244 4.539 1.00 0.00 C ATOM 607 CG LYS A 41 127.695 6.251 4.761 1.00 0.00 C ATOM 608 CD LYS A 41 129.034 6.947 4.512 1.00 0.00 C ATOM 609 CE LYS A 41 130.177 5.971 4.790 1.00 0.00 C ATOM 610 NZ LYS A 41 130.312 5.027 3.645 1.00 0.00 N ATOM 0 H LYS A 41 125.274 5.764 2.804 1.00 0.00 H new ATOM 0 HA LYS A 41 125.231 6.082 5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.587 7.632 3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.663 8.097 5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 41 127.659 5.862 5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.586 5.399 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 41 129.086 7.300 3.482 1.00 0.00 H new ATOM 0 HD3 LYS A 41 129.125 7.823 5.154 1.00 0.00 H new ATOM 0 HE2 LYS A 41 131.109 6.517 4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 41 129.983 5.419 5.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 131.151 4.429 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 129.465 4.427 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 130.415 5.566 2.761 1.00 0.00 H new ATOM 624 N ALA A 42 123.507 7.899 5.854 1.00 0.00 N ATOM 625 CA ALA A 42 122.392 8.888 5.860 1.00 0.00 C ATOM 626 C ALA A 42 122.937 10.272 6.213 1.00 0.00 C ATOM 627 O ALA A 42 123.991 10.401 6.805 1.00 0.00 O ATOM 628 CB ALA A 42 121.349 8.470 6.895 1.00 0.00 C ATOM 0 H ALA A 42 123.760 7.524 6.768 1.00 0.00 H new ATOM 0 HA ALA A 42 121.931 8.923 4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.533 9.192 6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 42 120.960 7.484 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 42 121.810 8.435 7.882 1.00 0.00 H new ATOM 634 N HIS A 43 122.232 11.312 5.850 1.00 0.00 N ATOM 635 CA HIS A 43 122.717 12.689 6.160 1.00 0.00 C ATOM 636 C HIS A 43 121.564 13.522 6.730 1.00 0.00 C ATOM 637 O HIS A 43 120.407 13.270 6.460 1.00 0.00 O ATOM 638 CB HIS A 43 123.237 13.344 4.879 1.00 0.00 C ATOM 639 CG HIS A 43 124.179 14.460 5.232 1.00 0.00 C ATOM 640 ND1 HIS A 43 125.411 14.225 5.830 1.00 0.00 N ATOM 641 CD2 HIS A 43 124.091 15.821 5.077 1.00 0.00 C ATOM 642 CE1 HIS A 43 126.007 15.418 6.012 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.244 16.419 5.570 1.00 0.00 N ATOM 0 H HIS A 43 121.342 11.267 5.353 1.00 0.00 H new ATOM 0 HA HIS A 43 123.521 12.635 6.894 1.00 0.00 H new ATOM 0 HB2 HIS A 43 123.748 12.605 4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.404 13.730 4.291 1.00 0.00 H new ATOM 0 HD2 HIS A 43 123.255 16.346 4.639 1.00 0.00 H new ATOM 0 HE1 HIS A 43 126.981 15.549 6.460 1.00 0.00 H new ATOM 0 HE2 HIS A 43 125.462 17.415 5.590 1.00 0.00 H new ATOM 652 N ALA A 44 121.876 14.507 7.526 1.00 0.00 N ATOM 653 CA ALA A 44 120.807 15.353 8.131 1.00 0.00 C ATOM 654 C ALA A 44 119.904 15.913 7.029 1.00 0.00 C ATOM 655 O ALA A 44 118.757 16.238 7.260 1.00 0.00 O ATOM 656 CB ALA A 44 121.452 16.512 8.894 1.00 0.00 C ATOM 0 H ALA A 44 122.829 14.764 7.785 1.00 0.00 H new ATOM 0 HA ALA A 44 120.210 14.748 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.674 17.133 9.338 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.094 16.117 9.681 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.048 17.113 8.207 1.00 0.00 H new ATOM 662 N ASN A 45 120.410 16.034 5.833 1.00 0.00 N ATOM 663 CA ASN A 45 119.578 16.576 4.722 1.00 0.00 C ATOM 664 C ASN A 45 119.045 15.424 3.869 1.00 0.00 C ATOM 665 O ASN A 45 118.026 15.539 3.219 1.00 0.00 O ATOM 666 CB ASN A 45 120.434 17.496 3.848 1.00 0.00 C ATOM 667 CG ASN A 45 120.785 18.765 4.629 1.00 0.00 C ATOM 668 OD1 ASN A 45 120.119 19.107 5.587 1.00 0.00 O ATOM 669 ND2 ASN A 45 121.811 19.482 4.258 1.00 0.00 N ATOM 0 H ASN A 45 121.364 15.781 5.577 1.00 0.00 H new ATOM 0 HA ASN A 45 118.742 17.137 5.139 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.345 16.981 3.543 1.00 0.00 H new ATOM 0 HB3 ASN A 45 119.894 17.755 2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 45 122.054 20.329 4.772 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.370 19.195 3.454 1.00 0.00 H new ATOM 676 N ASP A 46 119.735 14.317 3.857 1.00 0.00 N ATOM 677 CA ASP A 46 119.282 13.161 3.035 1.00 0.00 C ATOM 678 C ASP A 46 118.096 12.471 3.710 1.00 0.00 C ATOM 679 O ASP A 46 118.107 12.217 4.898 1.00 0.00 O ATOM 680 CB ASP A 46 120.431 12.160 2.899 1.00 0.00 C ATOM 681 CG ASP A 46 121.409 12.637 1.822 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.037 13.507 1.053 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.514 12.123 1.785 1.00 0.00 O ATOM 0 H ASP A 46 120.595 14.163 4.383 1.00 0.00 H new ATOM 0 HA ASP A 46 118.978 13.519 2.051 1.00 0.00 H new ATOM 0 HB2 ASP A 46 120.949 12.055 3.852 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.040 11.177 2.638 1.00 0.00 H new ATOM 688 N LEU A 47 117.074 12.154 2.961 1.00 0.00 N ATOM 689 CA LEU A 47 115.899 11.466 3.562 1.00 0.00 C ATOM 690 C LEU A 47 116.256 10.000 3.791 1.00 0.00 C ATOM 691 O LEU A 47 117.018 9.422 3.040 1.00 0.00 O ATOM 692 CB LEU A 47 114.704 11.547 2.606 1.00 0.00 C ATOM 693 CG LEU A 47 114.385 13.010 2.292 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.207 13.075 1.313 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.015 13.745 3.585 1.00 0.00 C ATOM 0 H LEU A 47 117.004 12.342 1.961 1.00 0.00 H new ATOM 0 HA LEU A 47 115.637 11.945 4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 47 114.927 11.009 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 47 113.835 11.065 3.054 1.00 0.00 H new ATOM 0 HG LEU A 47 115.259 13.484 1.845 1.00 0.00 H new ATOM 0 HD11 LEU A 47 112.978 14.117 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.470 12.554 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.334 12.600 1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.788 14.787 3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.142 13.273 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 47 114.852 13.699 4.282 1.00 0.00 H new ATOM 707 N ILE A 48 115.722 9.387 4.819 1.00 0.00 N ATOM 708 CA ILE A 48 116.048 7.951 5.078 1.00 0.00 C ATOM 709 C ILE A 48 114.778 7.100 4.963 1.00 0.00 C ATOM 710 O ILE A 48 113.724 7.462 5.448 1.00 0.00 O ATOM 711 CB ILE A 48 116.626 7.807 6.487 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.748 8.565 7.485 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.043 8.383 6.518 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.015 8.045 8.898 1.00 0.00 C ATOM 0 H ILE A 48 115.079 9.815 5.485 1.00 0.00 H new ATOM 0 HA ILE A 48 116.778 7.611 4.343 1.00 0.00 H new ATOM 0 HB ILE A 48 116.654 6.752 6.759 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.959 9.633 7.433 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.696 8.436 7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.455 8.281 7.522 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.671 7.842 5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.013 9.438 6.244 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.389 8.585 9.609 1.00 0.00 H new ATOM 0 HD12 ILE A 48 115.782 6.981 8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.065 8.197 9.150 1.00 0.00 H new ATOM 726 N GLY A 49 114.880 5.971 4.318 1.00 0.00 N ATOM 727 CA GLY A 49 113.689 5.089 4.160 1.00 0.00 C ATOM 728 C GLY A 49 114.058 3.885 3.291 1.00 0.00 C ATOM 729 O GLY A 49 115.191 3.729 2.888 1.00 0.00 O ATOM 0 H GLY A 49 115.738 5.620 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.340 4.753 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.870 5.644 3.702 1.00 0.00 H new ATOM 733 N PHE A 50 113.113 3.032 2.995 1.00 0.00 N ATOM 734 CA PHE A 50 113.425 1.845 2.146 1.00 0.00 C ATOM 735 C PHE A 50 112.127 1.222 1.626 1.00 0.00 C ATOM 736 O PHE A 50 111.042 1.574 2.051 1.00 0.00 O ATOM 737 CB PHE A 50 114.200 0.810 2.965 1.00 0.00 C ATOM 738 CG PHE A 50 113.343 0.320 4.106 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.361 0.990 5.334 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.533 -0.809 3.936 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.569 0.532 6.393 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.741 -1.268 4.995 1.00 0.00 C ATOM 743 CZ PHE A 50 111.759 -0.597 6.223 1.00 0.00 C ATOM 0 H PHE A 50 112.143 3.105 3.303 1.00 0.00 H new ATOM 0 HA PHE A 50 114.034 2.163 1.300 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.491 -0.027 2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.119 1.251 3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 50 113.986 1.861 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.519 -1.326 2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.583 1.049 7.341 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.116 -2.139 4.864 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.148 -0.950 7.040 1.00 0.00 H new ATOM 753 N LYS A 51 112.228 0.300 0.704 1.00 0.00 N ATOM 754 CA LYS A 51 110.997 -0.341 0.155 1.00 0.00 C ATOM 755 C LYS A 51 111.266 -1.815 -0.141 1.00 0.00 C ATOM 756 O LYS A 51 112.339 -2.187 -0.579 1.00 0.00 O ATOM 757 CB LYS A 51 110.587 0.374 -1.133 1.00 0.00 C ATOM 758 CG LYS A 51 109.330 -0.280 -1.709 1.00 0.00 C ATOM 759 CD LYS A 51 108.892 0.477 -2.966 1.00 0.00 C ATOM 760 CE LYS A 51 107.627 -0.165 -3.537 1.00 0.00 C ATOM 761 NZ LYS A 51 107.186 0.591 -4.743 1.00 0.00 N ATOM 0 H LYS A 51 113.106 -0.036 0.309 1.00 0.00 H new ATOM 0 HA LYS A 51 110.194 -0.266 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.400 1.429 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.398 0.328 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.528 -1.324 -1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.530 -0.271 -0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.704 1.523 -2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.689 0.459 -3.710 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.821 -1.205 -3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 51 106.837 -0.166 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 106.326 0.154 -5.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 106.985 1.577 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.939 0.570 -5.460 1.00 0.00 H new ATOM 775 N CYS A 52 110.295 -2.662 0.090 1.00 0.00 N ATOM 776 CA CYS A 52 110.468 -4.117 -0.182 1.00 0.00 C ATOM 777 C CYS A 52 109.314 -4.579 -1.088 1.00 0.00 C ATOM 778 O CYS A 52 108.242 -4.010 -1.064 1.00 0.00 O ATOM 779 CB CYS A 52 110.418 -4.884 1.145 1.00 0.00 C ATOM 780 SG CYS A 52 111.931 -4.575 2.091 1.00 0.00 S ATOM 0 H CYS A 52 109.381 -2.402 0.460 1.00 0.00 H new ATOM 0 HA CYS A 52 111.424 -4.304 -0.670 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.547 -4.573 1.723 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.309 -5.952 0.954 1.00 0.00 H new ATOM 785 N PRO A 53 109.523 -5.599 -1.882 1.00 0.00 N ATOM 786 CA PRO A 53 108.472 -6.124 -2.804 1.00 0.00 C ATOM 787 C PRO A 53 107.149 -6.398 -2.076 1.00 0.00 C ATOM 788 O PRO A 53 107.126 -6.720 -0.906 1.00 0.00 O ATOM 789 CB PRO A 53 109.071 -7.428 -3.364 1.00 0.00 C ATOM 790 CG PRO A 53 110.293 -7.706 -2.544 1.00 0.00 C ATOM 791 CD PRO A 53 110.766 -6.365 -1.999 1.00 0.00 C ATOM 0 HA PRO A 53 108.225 -5.403 -3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.357 -8.248 -3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.325 -7.320 -4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.066 -8.396 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.069 -8.173 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.265 -6.474 -1.036 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.475 -5.883 -2.672 1.00 0.00 H new ATOM 799 N SER A 54 106.051 -6.254 -2.763 1.00 0.00 N ATOM 800 CA SER A 54 104.722 -6.485 -2.124 1.00 0.00 C ATOM 801 C SER A 54 104.499 -7.978 -1.866 1.00 0.00 C ATOM 802 O SER A 54 103.570 -8.363 -1.184 1.00 0.00 O ATOM 803 CB SER A 54 103.622 -5.962 -3.046 1.00 0.00 C ATOM 804 OG SER A 54 103.640 -6.701 -4.260 1.00 0.00 O ATOM 0 H SER A 54 106.015 -5.985 -3.746 1.00 0.00 H new ATOM 0 HA SER A 54 104.695 -5.957 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 54 102.650 -6.057 -2.563 1.00 0.00 H new ATOM 0 HB3 SER A 54 103.774 -4.902 -3.249 1.00 0.00 H new ATOM 0 HG SER A 54 102.935 -6.370 -4.855 1.00 0.00 H new ATOM 810 N ASN A 55 105.327 -8.826 -2.410 1.00 0.00 N ATOM 811 CA ASN A 55 105.136 -10.290 -2.195 1.00 0.00 C ATOM 812 C ASN A 55 105.915 -10.747 -0.959 1.00 0.00 C ATOM 813 O ASN A 55 105.898 -11.908 -0.606 1.00 0.00 O ATOM 814 CB ASN A 55 105.645 -11.053 -3.419 1.00 0.00 C ATOM 815 CG ASN A 55 104.801 -10.685 -4.641 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.590 -10.775 -4.607 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.394 -10.267 -5.725 1.00 0.00 N ATOM 0 H ASN A 55 106.125 -8.571 -2.992 1.00 0.00 H new ATOM 0 HA ASN A 55 104.075 -10.491 -2.045 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.692 -10.811 -3.601 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.593 -12.127 -3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.841 -10.016 -6.544 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.411 -10.191 -5.753 1.00 0.00 H new ATOM 824 N TYR A 56 106.594 -9.850 -0.299 1.00 0.00 N ATOM 825 CA TYR A 56 107.373 -10.235 0.917 1.00 0.00 C ATOM 826 C TYR A 56 106.721 -9.648 2.172 1.00 0.00 C ATOM 827 O TYR A 56 105.878 -8.775 2.096 1.00 0.00 O ATOM 828 CB TYR A 56 108.802 -9.716 0.782 1.00 0.00 C ATOM 829 CG TYR A 56 109.595 -10.655 -0.098 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.311 -10.746 -1.466 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.620 -11.430 0.455 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.053 -11.611 -2.279 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.363 -12.295 -0.358 1.00 0.00 C ATOM 834 CZ TYR A 56 111.078 -12.386 -1.725 1.00 0.00 C ATOM 835 OH TYR A 56 111.808 -13.239 -2.526 1.00 0.00 O ATOM 0 H TYR A 56 106.645 -8.862 -0.549 1.00 0.00 H new ATOM 0 HA TYR A 56 107.385 -11.321 1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.798 -8.714 0.353 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.268 -9.640 1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.519 -10.149 -1.894 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.839 -11.361 1.510 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.834 -11.680 -3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.155 -12.891 0.070 1.00 0.00 H new ATOM 0 HH TYR A 56 112.481 -13.701 -1.984 1.00 0.00 H new ATOM 845 N SER A 57 107.112 -10.119 3.330 1.00 0.00 N ATOM 846 CA SER A 57 106.523 -9.584 4.592 1.00 0.00 C ATOM 847 C SER A 57 107.522 -8.625 5.244 1.00 0.00 C ATOM 848 O SER A 57 108.697 -8.920 5.354 1.00 0.00 O ATOM 849 CB SER A 57 106.229 -10.742 5.546 1.00 0.00 C ATOM 850 OG SER A 57 105.686 -10.228 6.755 1.00 0.00 O ATOM 0 H SER A 57 107.813 -10.850 3.454 1.00 0.00 H new ATOM 0 HA SER A 57 105.597 -9.054 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.528 -11.438 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.143 -11.299 5.752 1.00 0.00 H new ATOM 0 HG SER A 57 105.495 -10.968 7.368 1.00 0.00 H new ATOM 856 N VAL A 58 107.075 -7.474 5.671 1.00 0.00 N ATOM 857 CA VAL A 58 108.017 -6.505 6.298 1.00 0.00 C ATOM 858 C VAL A 58 108.071 -6.720 7.815 1.00 0.00 C ATOM 859 O VAL A 58 107.073 -6.654 8.506 1.00 0.00 O ATOM 860 CB VAL A 58 107.560 -5.073 5.995 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.073 -4.987 4.548 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.421 -4.680 6.939 1.00 0.00 C ATOM 0 H VAL A 58 106.105 -7.165 5.613 1.00 0.00 H new ATOM 0 HA VAL A 58 109.013 -6.664 5.885 1.00 0.00 H new ATOM 0 HB VAL A 58 108.399 -4.392 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 58 106.748 -3.969 4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 58 107.885 -5.259 3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.238 -5.672 4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.101 -3.662 6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.582 -5.362 6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.768 -4.736 7.971 1.00 0.00 H new ATOM 872 N GLU A 59 109.246 -6.955 8.331 1.00 0.00 N ATOM 873 CA GLU A 59 109.412 -7.154 9.798 1.00 0.00 C ATOM 874 C GLU A 59 110.559 -6.255 10.271 1.00 0.00 C ATOM 875 O GLU A 59 111.629 -6.271 9.695 1.00 0.00 O ATOM 876 CB GLU A 59 109.771 -8.615 10.087 1.00 0.00 C ATOM 877 CG GLU A 59 108.504 -9.473 10.101 1.00 0.00 C ATOM 878 CD GLU A 59 108.858 -10.914 9.728 1.00 0.00 C ATOM 879 OE1 GLU A 59 109.885 -11.389 10.181 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.093 -11.520 8.994 1.00 0.00 O ATOM 0 H GLU A 59 110.109 -7.018 7.791 1.00 0.00 H new ATOM 0 HA GLU A 59 108.486 -6.906 10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.462 -8.985 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.281 -8.690 11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.044 -9.445 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.774 -9.073 9.398 1.00 0.00 H new ATOM 887 N PRO A 60 110.357 -5.469 11.298 1.00 0.00 N ATOM 888 CA PRO A 60 111.419 -4.562 11.809 1.00 0.00 C ATOM 889 C PRO A 60 112.455 -5.308 12.650 1.00 0.00 C ATOM 890 O PRO A 60 112.163 -5.784 13.724 1.00 0.00 O ATOM 891 CB PRO A 60 110.645 -3.571 12.677 1.00 0.00 C ATOM 892 CG PRO A 60 109.465 -4.335 13.175 1.00 0.00 C ATOM 893 CD PRO A 60 109.115 -5.349 12.084 1.00 0.00 C ATOM 0 HA PRO A 60 111.984 -4.094 11.003 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.257 -3.207 13.502 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.336 -2.699 12.101 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.696 -4.839 14.114 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.625 -3.668 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.818 -6.307 12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.285 -5.003 11.468 1.00 0.00 H new ATOM 901 N HIS A 61 113.667 -5.390 12.179 1.00 0.00 N ATOM 902 CA HIS A 61 114.723 -6.083 12.967 1.00 0.00 C ATOM 903 C HIS A 61 115.417 -5.048 13.850 1.00 0.00 C ATOM 904 O HIS A 61 115.945 -5.354 14.900 1.00 0.00 O ATOM 905 CB HIS A 61 115.736 -6.730 12.020 1.00 0.00 C ATOM 906 CG HIS A 61 116.606 -7.682 12.793 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.629 -8.404 12.192 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.627 -8.038 14.120 1.00 0.00 C ATOM 909 CE1 HIS A 61 118.214 -9.151 13.147 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.640 -8.962 14.337 1.00 0.00 N ATOM 0 H HIS A 61 113.972 -5.008 11.284 1.00 0.00 H new ATOM 0 HA HIS A 61 114.281 -6.864 13.585 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.217 -7.261 11.222 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.349 -5.963 11.546 1.00 0.00 H new ATOM 0 HD2 HIS A 61 115.958 -7.657 14.878 1.00 0.00 H new ATOM 0 HE1 HIS A 61 119.044 -9.820 12.972 1.00 0.00 H new ATOM 0 HE2 HIS A 61 117.893 -9.404 15.221 1.00 0.00 H new ATOM 919 N ASP A 62 115.404 -3.817 13.421 1.00 0.00 N ATOM 920 CA ASP A 62 116.041 -2.727 14.207 1.00 0.00 C ATOM 921 C ASP A 62 115.641 -1.387 13.586 1.00 0.00 C ATOM 922 O ASP A 62 116.424 -0.464 13.515 1.00 0.00 O ATOM 923 CB ASP A 62 117.562 -2.885 14.176 1.00 0.00 C ATOM 924 CG ASP A 62 118.207 -1.788 15.027 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.484 -0.926 15.496 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.415 -1.826 15.190 1.00 0.00 O ATOM 0 H ASP A 62 114.973 -3.517 12.547 1.00 0.00 H new ATOM 0 HA ASP A 62 115.710 -2.770 15.245 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.844 -3.867 14.555 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.924 -2.824 13.150 1.00 0.00 H new ATOM 931 N CYS A 63 114.423 -1.286 13.122 1.00 0.00 N ATOM 932 CA CYS A 63 113.955 -0.019 12.488 1.00 0.00 C ATOM 933 C CYS A 63 114.041 1.127 13.499 1.00 0.00 C ATOM 934 O CYS A 63 114.828 1.083 14.423 1.00 0.00 O ATOM 935 CB CYS A 63 112.511 -0.194 12.010 1.00 0.00 C ATOM 936 SG CYS A 63 112.455 -1.469 10.725 1.00 0.00 S ATOM 0 H CYS A 63 113.728 -2.032 13.156 1.00 0.00 H new ATOM 0 HA CYS A 63 114.589 0.218 11.633 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.871 -0.476 12.846 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.128 0.749 11.619 1.00 0.00 H new ATOM 941 N PHE A 64 113.257 2.165 13.324 1.00 0.00 N ATOM 942 CA PHE A 64 113.326 3.317 14.275 1.00 0.00 C ATOM 943 C PHE A 64 112.048 3.420 15.121 1.00 0.00 C ATOM 944 O PHE A 64 112.110 3.418 16.336 1.00 0.00 O ATOM 945 CB PHE A 64 113.540 4.614 13.493 1.00 0.00 C ATOM 946 CG PHE A 64 112.719 4.598 12.226 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.186 3.908 11.099 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.496 5.274 12.176 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.428 3.896 9.923 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.738 5.262 11.000 1.00 0.00 C ATOM 951 CZ PHE A 64 111.204 4.573 9.873 1.00 0.00 C ATOM 0 H PHE A 64 112.578 2.263 12.569 1.00 0.00 H new ATOM 0 HA PHE A 64 114.164 3.153 14.952 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.258 5.469 14.107 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.596 4.731 13.250 1.00 0.00 H new ATOM 0 HD1 PHE A 64 114.131 3.386 11.138 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.137 5.805 13.045 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.787 3.365 9.054 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.793 5.784 10.961 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.619 4.564 8.965 1.00 0.00 H new ATOM 961 N VAL A 65 110.892 3.528 14.515 1.00 0.00 N ATOM 962 CA VAL A 65 109.649 3.653 15.339 1.00 0.00 C ATOM 963 C VAL A 65 109.669 2.590 16.437 1.00 0.00 C ATOM 964 O VAL A 65 109.565 2.891 17.609 1.00 0.00 O ATOM 965 CB VAL A 65 108.410 3.449 14.459 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.162 3.390 15.344 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.275 4.616 13.477 1.00 0.00 C ATOM 0 H VAL A 65 110.755 3.535 13.504 1.00 0.00 H new ATOM 0 HA VAL A 65 109.610 4.648 15.782 1.00 0.00 H new ATOM 0 HB VAL A 65 108.514 2.517 13.903 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.280 3.245 14.720 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.252 2.560 16.044 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.065 4.323 15.898 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.393 4.467 12.854 1.00 0.00 H new ATOM 0 HG22 VAL A 65 108.174 5.549 14.032 1.00 0.00 H new ATOM 0 HG23 VAL A 65 109.162 4.664 12.845 1.00 0.00 H new ATOM 977 N SER A 66 109.825 1.352 16.064 1.00 0.00 N ATOM 978 CA SER A 66 109.876 0.260 17.075 1.00 0.00 C ATOM 979 C SER A 66 110.590 -0.937 16.449 1.00 0.00 C ATOM 980 O SER A 66 110.263 -1.353 15.356 1.00 0.00 O ATOM 981 CB SER A 66 108.458 -0.137 17.482 1.00 0.00 C ATOM 982 OG SER A 66 108.520 -1.051 18.570 1.00 0.00 O ATOM 0 H SER A 66 109.920 1.047 15.095 1.00 0.00 H new ATOM 0 HA SER A 66 110.411 0.595 17.964 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.888 0.747 17.767 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.939 -0.592 16.638 1.00 0.00 H new ATOM 0 HG SER A 66 107.612 -1.306 18.835 1.00 0.00 H new ATOM 988 N ALA A 67 111.566 -1.492 17.114 1.00 0.00 N ATOM 989 CA ALA A 67 112.288 -2.650 16.516 1.00 0.00 C ATOM 990 C ALA A 67 113.267 -3.249 17.527 1.00 0.00 C ATOM 991 O ALA A 67 113.375 -2.798 18.648 1.00 0.00 O ATOM 992 CB ALA A 67 113.067 -2.169 15.293 1.00 0.00 C ATOM 0 H ALA A 67 111.892 -1.198 18.035 1.00 0.00 H new ATOM 0 HA ALA A 67 111.563 -3.413 16.231 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.600 -3.009 14.847 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.375 -1.749 14.563 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.783 -1.405 15.595 1.00 0.00 H new ATOM 998 N PHE A 68 113.979 -4.268 17.127 1.00 0.00 N ATOM 999 CA PHE A 68 114.951 -4.915 18.051 1.00 0.00 C ATOM 1000 C PHE A 68 116.327 -4.273 17.837 1.00 0.00 C ATOM 1001 O PHE A 68 116.841 -4.244 16.737 1.00 0.00 O ATOM 1002 CB PHE A 68 115.045 -6.413 17.737 1.00 0.00 C ATOM 1003 CG PHE A 68 113.659 -6.988 17.550 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.959 -6.746 16.361 1.00 0.00 C ATOM 1005 CD2 PHE A 68 113.081 -7.776 18.553 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.680 -7.289 16.177 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.802 -8.316 18.369 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.102 -8.071 17.179 1.00 0.00 C ATOM 0 H PHE A 68 113.928 -4.681 16.196 1.00 0.00 H new ATOM 0 HA PHE A 68 114.624 -4.783 19.082 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.637 -6.568 16.835 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.557 -6.932 18.547 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.405 -6.141 15.586 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.621 -7.967 19.468 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.141 -7.102 15.260 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.355 -8.921 19.144 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.116 -8.487 17.037 1.00 0.00 H new ATOM 1018 N ASN A 69 116.919 -3.743 18.873 1.00 0.00 N ATOM 1019 CA ASN A 69 118.251 -3.093 18.712 1.00 0.00 C ATOM 1020 C ASN A 69 119.318 -4.157 18.449 1.00 0.00 C ATOM 1021 O ASN A 69 119.020 -5.322 18.285 1.00 0.00 O ATOM 1022 CB ASN A 69 118.604 -2.325 19.987 1.00 0.00 C ATOM 1023 CG ASN A 69 117.711 -1.088 20.099 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.110 -0.668 19.130 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.601 -0.481 21.249 1.00 0.00 N ATOM 0 H ASN A 69 116.540 -3.732 19.820 1.00 0.00 H new ATOM 0 HA ASN A 69 118.213 -2.403 17.869 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.469 -2.965 20.859 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.653 -2.029 19.968 1.00 0.00 H new ATOM 0 HD21 ASN A 69 117.010 0.346 21.335 1.00 0.00 H new ATOM 0 HD22 ASN A 69 118.106 -0.834 22.062 1.00 0.00 H new ATOM 1032 N LEU A 70 120.561 -3.764 18.409 1.00 0.00 N ATOM 1033 CA LEU A 70 121.649 -4.748 18.156 1.00 0.00 C ATOM 1034 C LEU A 70 121.685 -5.758 19.305 1.00 0.00 C ATOM 1035 O LEU A 70 122.185 -6.857 19.165 1.00 0.00 O ATOM 1036 CB LEU A 70 122.994 -4.020 18.066 1.00 0.00 C ATOM 1037 CG LEU A 70 123.152 -3.404 16.673 1.00 0.00 C ATOM 1038 CD1 LEU A 70 122.144 -2.268 16.498 1.00 0.00 C ATOM 1039 CD2 LEU A 70 124.571 -2.851 16.514 1.00 0.00 C ATOM 0 H LEU A 70 120.870 -2.801 18.541 1.00 0.00 H new ATOM 0 HA LEU A 70 121.463 -5.267 17.216 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.050 -3.242 18.827 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.810 -4.716 18.262 1.00 0.00 H new ATOM 0 HG LEU A 70 122.973 -4.170 15.919 1.00 0.00 H new ATOM 0 HD11 LEU A 70 122.258 -1.830 15.506 1.00 0.00 H new ATOM 0 HD12 LEU A 70 121.133 -2.659 16.609 1.00 0.00 H new ATOM 0 HD13 LEU A 70 122.322 -1.504 17.254 1.00 0.00 H new ATOM 0 HD21 LEU A 70 124.682 -2.413 15.522 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.751 -2.087 17.270 1.00 0.00 H new ATOM 0 HD23 LEU A 70 125.292 -3.659 16.636 1.00 0.00 H new ATOM 1051 N SER A 71 121.147 -5.396 20.438 1.00 0.00 N ATOM 1052 CA SER A 71 121.135 -6.335 21.593 1.00 0.00 C ATOM 1053 C SER A 71 119.957 -7.296 21.437 1.00 0.00 C ATOM 1054 O SER A 71 119.807 -8.241 22.187 1.00 0.00 O ATOM 1055 CB SER A 71 120.976 -5.543 22.893 1.00 0.00 C ATOM 1056 OG SER A 71 122.075 -4.655 23.039 1.00 0.00 O ATOM 0 H SER A 71 120.715 -4.489 20.613 1.00 0.00 H new ATOM 0 HA SER A 71 122.070 -6.895 21.624 1.00 0.00 H new ATOM 0 HB2 SER A 71 120.041 -4.983 22.879 1.00 0.00 H new ATOM 0 HB3 SER A 71 120.928 -6.223 23.743 1.00 0.00 H new ATOM 0 HG SER A 71 121.975 -4.145 23.870 1.00 0.00 H new ATOM 1062 N GLY A 72 119.120 -7.060 20.463 1.00 0.00 N ATOM 1063 CA GLY A 72 117.949 -7.950 20.245 1.00 0.00 C ATOM 1064 C GLY A 72 116.826 -7.562 21.206 1.00 0.00 C ATOM 1065 O GLY A 72 115.928 -8.335 21.472 1.00 0.00 O ATOM 0 H GLY A 72 119.200 -6.284 19.806 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.604 -7.868 19.214 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.235 -8.990 20.404 1.00 0.00 H new ATOM 1069 N LYS A 73 116.868 -6.367 21.731 1.00 0.00 N ATOM 1070 CA LYS A 73 115.802 -5.927 22.678 1.00 0.00 C ATOM 1071 C LYS A 73 114.837 -4.992 21.943 1.00 0.00 C ATOM 1072 O LYS A 73 115.247 -4.155 21.166 1.00 0.00 O ATOM 1073 CB LYS A 73 116.447 -5.180 23.850 1.00 0.00 C ATOM 1074 CG LYS A 73 117.558 -6.038 24.467 1.00 0.00 C ATOM 1075 CD LYS A 73 116.943 -7.186 25.270 1.00 0.00 C ATOM 1076 CE LYS A 73 118.053 -7.995 25.939 1.00 0.00 C ATOM 1077 NZ LYS A 73 117.450 -9.094 26.745 1.00 0.00 N ATOM 0 H LYS A 73 117.595 -5.676 21.545 1.00 0.00 H new ATOM 0 HA LYS A 73 115.257 -6.793 23.055 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.857 -4.231 23.506 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.694 -4.948 24.603 1.00 0.00 H new ATOM 0 HG2 LYS A 73 118.201 -6.435 23.682 1.00 0.00 H new ATOM 0 HG3 LYS A 73 118.186 -5.425 25.114 1.00 0.00 H new ATOM 0 HD2 LYS A 73 116.261 -6.792 26.024 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.356 -7.828 24.614 1.00 0.00 H new ATOM 0 HE2 LYS A 73 118.722 -8.408 25.184 1.00 0.00 H new ATOM 0 HE3 LYS A 73 118.654 -7.348 26.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 118.205 -9.645 27.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 116.829 -8.689 27.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 116.895 -9.716 26.123 1.00 0.00 H new ATOM 1091 N ASN A 74 113.559 -5.132 22.178 1.00 0.00 N ATOM 1092 CA ASN A 74 112.575 -4.256 21.477 1.00 0.00 C ATOM 1093 C ASN A 74 112.439 -2.924 22.218 1.00 0.00 C ATOM 1094 O ASN A 74 111.872 -2.851 23.291 1.00 0.00 O ATOM 1095 CB ASN A 74 111.212 -4.954 21.431 1.00 0.00 C ATOM 1096 CG ASN A 74 110.234 -4.109 20.614 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.566 -3.640 19.543 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.032 -3.892 21.075 1.00 0.00 N ATOM 0 H ASN A 74 113.155 -5.812 22.822 1.00 0.00 H new ATOM 0 HA ASN A 74 112.926 -4.067 20.462 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.313 -5.944 20.986 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.830 -5.096 22.442 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.373 -3.330 20.537 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.752 -4.285 21.974 1.00 0.00 H new ATOM 1105 N GLU A 75 112.955 -1.866 21.648 1.00 0.00 N ATOM 1106 CA GLU A 75 112.860 -0.535 22.313 1.00 0.00 C ATOM 1107 C GLU A 75 112.672 0.563 21.257 1.00 0.00 C ATOM 1108 O GLU A 75 113.293 0.546 20.212 1.00 0.00 O ATOM 1109 CB GLU A 75 114.150 -0.261 23.094 1.00 0.00 C ATOM 1110 CG GLU A 75 114.279 -1.260 24.246 1.00 0.00 C ATOM 1111 CD GLU A 75 113.126 -1.057 25.231 1.00 0.00 C ATOM 1112 OE1 GLU A 75 112.537 0.011 25.208 1.00 0.00 O ATOM 1113 OE2 GLU A 75 112.854 -1.971 25.991 1.00 0.00 O ATOM 0 H GLU A 75 113.438 -1.868 20.750 1.00 0.00 H new ATOM 0 HA GLU A 75 112.008 -0.536 22.993 1.00 0.00 H new ATOM 0 HB2 GLU A 75 115.012 -0.342 22.431 1.00 0.00 H new ATOM 0 HB3 GLU A 75 114.142 0.757 23.483 1.00 0.00 H new ATOM 0 HG2 GLU A 75 114.266 -2.279 23.860 1.00 0.00 H new ATOM 0 HG3 GLU A 75 115.234 -1.124 24.754 1.00 0.00 H new ATOM 1120 N ASN A 76 111.820 1.515 21.524 1.00 0.00 N ATOM 1121 CA ASN A 76 111.586 2.604 20.527 1.00 0.00 C ATOM 1122 C ASN A 76 112.908 3.332 20.266 1.00 0.00 C ATOM 1123 O ASN A 76 113.727 3.476 21.146 1.00 0.00 O ATOM 1124 CB ASN A 76 110.556 3.592 21.087 1.00 0.00 C ATOM 1125 CG ASN A 76 110.137 4.579 19.992 1.00 0.00 C ATOM 1126 OD1 ASN A 76 110.869 4.805 19.051 1.00 0.00 O ATOM 1127 ND2 ASN A 76 108.977 5.177 20.075 1.00 0.00 N ATOM 0 H ASN A 76 111.277 1.588 22.384 1.00 0.00 H new ATOM 0 HA ASN A 76 111.210 2.181 19.595 1.00 0.00 H new ATOM 0 HB2 ASN A 76 109.684 3.052 21.456 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.979 4.132 21.934 1.00 0.00 H new ATOM 0 HD21 ASN A 76 108.688 5.833 19.349 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.361 4.988 20.866 1.00 0.00 H new ATOM 1134 N LEU A 77 113.123 3.782 19.059 1.00 0.00 N ATOM 1135 CA LEU A 77 114.398 4.492 18.735 1.00 0.00 C ATOM 1136 C LEU A 77 114.182 6.008 18.806 1.00 0.00 C ATOM 1137 O LEU A 77 115.041 6.784 18.440 1.00 0.00 O ATOM 1138 CB LEU A 77 114.847 4.108 17.321 1.00 0.00 C ATOM 1139 CG LEU A 77 116.348 4.374 17.153 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.150 3.400 18.028 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.738 4.175 15.687 1.00 0.00 C ATOM 0 H LEU A 77 112.470 3.689 18.281 1.00 0.00 H new ATOM 0 HA LEU A 77 115.164 4.204 19.456 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.634 3.055 17.137 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.284 4.681 16.584 1.00 0.00 H new ATOM 0 HG LEU A 77 116.568 5.397 17.457 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.216 3.593 17.905 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.874 3.539 19.073 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.930 2.376 17.728 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.805 4.364 15.565 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.514 3.151 15.387 1.00 0.00 H new ATOM 0 HD23 LEU A 77 116.174 4.868 15.063 1.00 0.00 H new ATOM 1153 N GLU A 78 113.037 6.437 19.262 1.00 0.00 N ATOM 1154 CA GLU A 78 112.772 7.904 19.342 1.00 0.00 C ATOM 1155 C GLU A 78 113.632 8.534 20.442 1.00 0.00 C ATOM 1156 O GLU A 78 114.131 9.633 20.300 1.00 0.00 O ATOM 1157 CB GLU A 78 111.288 8.148 19.636 1.00 0.00 C ATOM 1158 CG GLU A 78 110.920 7.544 20.997 1.00 0.00 C ATOM 1159 CD GLU A 78 111.002 8.627 22.076 1.00 0.00 C ATOM 1160 OE1 GLU A 78 111.813 9.525 21.925 1.00 0.00 O ATOM 1161 OE2 GLU A 78 110.249 8.542 23.031 1.00 0.00 O ATOM 0 H GLU A 78 112.275 5.839 19.582 1.00 0.00 H new ATOM 0 HA GLU A 78 113.028 8.363 18.387 1.00 0.00 H new ATOM 0 HB2 GLU A 78 111.079 9.218 19.635 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.675 7.702 18.853 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.914 7.127 20.961 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.597 6.724 21.238 1.00 0.00 H new ATOM 1168 N ASN A 79 113.814 7.849 21.537 1.00 0.00 N ATOM 1169 CA ASN A 79 114.645 8.415 22.638 1.00 0.00 C ATOM 1170 C ASN A 79 116.078 8.611 22.136 1.00 0.00 C ATOM 1171 O ASN A 79 116.771 9.526 22.539 1.00 0.00 O ATOM 1172 CB ASN A 79 114.640 7.457 23.830 1.00 0.00 C ATOM 1173 CG ASN A 79 113.198 7.194 24.269 1.00 0.00 C ATOM 1174 OD1 ASN A 79 112.456 8.116 24.543 1.00 0.00 O ATOM 1175 ND2 ASN A 79 112.766 5.965 24.344 1.00 0.00 N ATOM 0 H ASN A 79 113.424 6.924 21.717 1.00 0.00 H new ATOM 0 HA ASN A 79 114.235 9.375 22.952 1.00 0.00 H new ATOM 0 HB2 ASN A 79 115.125 6.519 23.558 1.00 0.00 H new ATOM 0 HB3 ASN A 79 115.210 7.884 24.655 1.00 0.00 H new ATOM 0 HD21 ASN A 79 111.806 5.779 24.633 1.00 0.00 H new ATOM 0 HD22 ASN A 79 113.389 5.191 24.114 1.00 0.00 H new ATOM 1182 N LYS A 80 116.525 7.758 21.254 1.00 0.00 N ATOM 1183 CA LYS A 80 117.904 7.896 20.709 1.00 0.00 C ATOM 1184 C LYS A 80 117.963 9.092 19.756 1.00 0.00 C ATOM 1185 O LYS A 80 118.824 9.945 19.862 1.00 0.00 O ATOM 1186 CB LYS A 80 118.277 6.618 19.954 1.00 0.00 C ATOM 1187 CG LYS A 80 119.601 6.821 19.211 1.00 0.00 C ATOM 1188 CD LYS A 80 120.171 5.463 18.797 1.00 0.00 C ATOM 1189 CE LYS A 80 121.012 4.889 19.941 1.00 0.00 C ATOM 1190 NZ LYS A 80 121.581 3.575 19.533 1.00 0.00 N ATOM 0 H LYS A 80 115.992 6.970 20.887 1.00 0.00 H new ATOM 0 HA LYS A 80 118.606 8.055 21.527 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.365 5.785 20.652 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.489 6.359 19.247 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.444 7.444 18.331 1.00 0.00 H new ATOM 0 HG3 LYS A 80 120.311 7.345 19.850 1.00 0.00 H new ATOM 0 HD2 LYS A 80 119.361 4.778 18.548 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.783 5.572 17.901 1.00 0.00 H new ATOM 0 HE2 LYS A 80 121.815 5.580 20.198 1.00 0.00 H new ATOM 0 HE3 LYS A 80 120.397 4.769 20.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 122.152 3.187 20.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 120.808 2.916 19.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 122.182 3.702 18.694 1.00 0.00 H new ATOM 1204 N LEU A 81 117.048 9.158 18.826 1.00 0.00 N ATOM 1205 CA LEU A 81 117.039 10.291 17.859 1.00 0.00 C ATOM 1206 C LEU A 81 115.594 10.740 17.628 1.00 0.00 C ATOM 1207 O LEU A 81 114.729 9.938 17.334 1.00 0.00 O ATOM 1208 CB LEU A 81 117.650 9.828 16.536 1.00 0.00 C ATOM 1209 CG LEU A 81 117.994 11.041 15.664 1.00 0.00 C ATOM 1210 CD1 LEU A 81 119.098 11.865 16.341 1.00 0.00 C ATOM 1211 CD2 LEU A 81 118.489 10.554 14.297 1.00 0.00 C ATOM 0 H LEU A 81 116.304 8.473 18.695 1.00 0.00 H new ATOM 0 HA LEU A 81 117.621 11.123 18.256 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.548 9.241 16.727 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.950 9.179 16.010 1.00 0.00 H new ATOM 0 HG LEU A 81 117.107 11.661 15.536 1.00 0.00 H new ATOM 0 HD11 LEU A 81 119.341 12.727 15.720 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.751 12.207 17.316 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.987 11.247 16.469 1.00 0.00 H new ATOM 0 HD21 LEU A 81 118.735 11.413 13.672 1.00 0.00 H new ATOM 0 HD22 LEU A 81 119.377 9.936 14.431 1.00 0.00 H new ATOM 0 HD23 LEU A 81 117.707 9.967 13.815 1.00 0.00 H new ATOM 1223 N LYS A 82 115.321 12.008 17.758 1.00 0.00 N ATOM 1224 CA LYS A 82 113.927 12.491 17.546 1.00 0.00 C ATOM 1225 C LYS A 82 113.643 12.601 16.045 1.00 0.00 C ATOM 1226 O LYS A 82 113.844 13.634 15.439 1.00 0.00 O ATOM 1227 CB LYS A 82 113.753 13.862 18.205 1.00 0.00 C ATOM 1228 CG LYS A 82 113.824 13.711 19.727 1.00 0.00 C ATOM 1229 CD LYS A 82 113.646 15.079 20.388 1.00 0.00 C ATOM 1230 CE LYS A 82 113.663 14.917 21.910 1.00 0.00 C ATOM 1231 NZ LYS A 82 114.992 14.399 22.340 1.00 0.00 N ATOM 0 H LYS A 82 116.000 12.729 18.001 1.00 0.00 H new ATOM 0 HA LYS A 82 113.228 11.784 17.994 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.530 14.544 17.860 1.00 0.00 H new ATOM 0 HB3 LYS A 82 112.796 14.297 17.916 1.00 0.00 H new ATOM 0 HG2 LYS A 82 113.049 13.026 20.071 1.00 0.00 H new ATOM 0 HG3 LYS A 82 114.782 13.279 20.015 1.00 0.00 H new ATOM 0 HD2 LYS A 82 114.443 15.753 20.074 1.00 0.00 H new ATOM 0 HD3 LYS A 82 112.705 15.529 20.070 1.00 0.00 H new ATOM 0 HE2 LYS A 82 113.461 15.874 22.390 1.00 0.00 H new ATOM 0 HE3 LYS A 82 112.875 14.231 22.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 115.120 14.572 23.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 115.043 13.377 22.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 115.742 14.885 21.809 1.00 0.00 H new ATOM 1245 N LEU A 83 113.186 11.538 15.442 1.00 0.00 N ATOM 1246 CA LEU A 83 112.894 11.569 13.980 1.00 0.00 C ATOM 1247 C LEU A 83 111.624 12.380 13.719 1.00 0.00 C ATOM 1248 O LEU A 83 110.737 12.450 14.545 1.00 0.00 O ATOM 1249 CB LEU A 83 112.687 10.141 13.470 1.00 0.00 C ATOM 1250 CG LEU A 83 114.006 9.367 13.547 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.747 7.890 13.244 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.994 9.928 12.520 1.00 0.00 C ATOM 0 H LEU A 83 113.001 10.646 15.900 1.00 0.00 H new ATOM 0 HA LEU A 83 113.734 12.031 13.460 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.925 9.639 14.066 1.00 0.00 H new ATOM 0 HB3 LEU A 83 112.326 10.161 12.442 1.00 0.00 H new ATOM 0 HG LEU A 83 114.426 9.469 14.548 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.685 7.337 13.298 1.00 0.00 H new ATOM 0 HD12 LEU A 83 113.045 7.486 13.974 1.00 0.00 H new ATOM 0 HD13 LEU A 83 113.326 7.792 12.243 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.932 9.375 12.577 1.00 0.00 H new ATOM 0 HD22 LEU A 83 114.574 9.828 11.519 1.00 0.00 H new ATOM 0 HD23 LEU A 83 115.180 10.981 12.732 1.00 0.00 H new ATOM 1264 N THR A 84 111.536 12.994 12.568 1.00 0.00 N ATOM 1265 CA THR A 84 110.322 13.805 12.240 1.00 0.00 C ATOM 1266 C THR A 84 109.759 13.345 10.894 1.00 0.00 C ATOM 1267 O THR A 84 110.424 12.666 10.138 1.00 0.00 O ATOM 1268 CB THR A 84 110.703 15.285 12.147 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.629 15.469 11.085 1.00 0.00 O ATOM 1270 CG2 THR A 84 111.335 15.739 13.463 1.00 0.00 C ATOM 0 H THR A 84 112.251 12.970 11.840 1.00 0.00 H new ATOM 0 HA THR A 84 109.573 13.671 13.021 1.00 0.00 H new ATOM 0 HB THR A 84 109.808 15.877 11.956 1.00 0.00 H new ATOM 0 HG1 THR A 84 111.872 16.416 11.024 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.605 16.793 13.393 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.622 15.600 14.276 1.00 0.00 H new ATOM 0 HG23 THR A 84 112.229 15.148 13.660 1.00 0.00 H new ATOM 1278 N ASN A 85 108.541 13.708 10.587 1.00 0.00 N ATOM 1279 CA ASN A 85 107.947 13.296 9.284 1.00 0.00 C ATOM 1280 C ASN A 85 107.993 11.774 9.148 1.00 0.00 C ATOM 1281 O ASN A 85 108.498 11.244 8.178 1.00 0.00 O ATOM 1282 CB ASN A 85 108.730 13.939 8.138 1.00 0.00 C ATOM 1283 CG ASN A 85 108.459 15.446 8.113 1.00 0.00 C ATOM 1284 OD1 ASN A 85 107.632 15.938 8.854 1.00 0.00 O ATOM 1285 ND2 ASN A 85 109.111 16.201 7.270 1.00 0.00 N ATOM 0 H ASN A 85 107.934 14.271 11.182 1.00 0.00 H new ATOM 0 HA ASN A 85 106.909 13.626 9.244 1.00 0.00 H new ATOM 0 HB2 ASN A 85 109.797 13.753 8.264 1.00 0.00 H new ATOM 0 HB3 ASN A 85 108.438 13.491 7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 85 108.926 17.203 7.234 1.00 0.00 H new ATOM 0 HD22 ASN A 85 109.806 15.788 6.647 1.00 0.00 H new ATOM 1292 N ILE A 86 107.480 11.069 10.116 1.00 0.00 N ATOM 1293 CA ILE A 86 107.500 9.580 10.051 1.00 0.00 C ATOM 1294 C ILE A 86 106.371 9.082 9.143 1.00 0.00 C ATOM 1295 O ILE A 86 105.216 9.402 9.339 1.00 0.00 O ATOM 1296 CB ILE A 86 107.313 9.020 11.463 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.515 9.419 12.325 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.212 7.496 11.403 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.223 9.102 13.793 1.00 0.00 C ATOM 0 H ILE A 86 107.046 11.460 10.952 1.00 0.00 H new ATOM 0 HA ILE A 86 108.453 9.244 9.643 1.00 0.00 H new ATOM 0 HB ILE A 86 106.398 9.423 11.897 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.405 8.882 11.997 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.723 10.482 12.207 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.079 7.100 12.410 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.360 7.212 10.786 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.125 7.088 10.970 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.080 9.387 14.404 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.344 9.659 14.118 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.037 8.034 13.905 1.00 0.00 H new ATOM 1311 N ILE A 87 106.704 8.294 8.151 1.00 0.00 N ATOM 1312 CA ILE A 87 105.663 7.760 7.220 1.00 0.00 C ATOM 1313 C ILE A 87 105.724 6.230 7.218 1.00 0.00 C ATOM 1314 O ILE A 87 106.749 5.651 6.917 1.00 0.00 O ATOM 1315 CB ILE A 87 105.942 8.267 5.800 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.901 9.800 5.773 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.894 7.708 4.837 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.554 10.297 6.305 1.00 0.00 C ATOM 0 H ILE A 87 107.658 7.996 7.945 1.00 0.00 H new ATOM 0 HA ILE A 87 104.678 8.094 7.547 1.00 0.00 H new ATOM 0 HB ILE A 87 106.932 7.931 5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.712 10.204 6.378 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.054 10.158 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.096 8.071 3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.936 6.619 4.846 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.902 8.035 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.533 11.387 6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.750 9.906 5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.418 9.953 7.330 1.00 0.00 H new ATOM 1330 N MET A 88 104.642 5.565 7.551 1.00 0.00 N ATOM 1331 CA MET A 88 104.659 4.069 7.560 1.00 0.00 C ATOM 1332 C MET A 88 103.558 3.534 6.636 1.00 0.00 C ATOM 1333 O MET A 88 102.394 3.525 6.983 1.00 0.00 O ATOM 1334 CB MET A 88 104.421 3.562 8.984 1.00 0.00 C ATOM 1335 CG MET A 88 105.466 4.167 9.925 1.00 0.00 C ATOM 1336 SD MET A 88 105.165 3.592 11.615 1.00 0.00 S ATOM 1337 CE MET A 88 105.733 1.889 11.387 1.00 0.00 C ATOM 0 H MET A 88 103.754 5.992 7.815 1.00 0.00 H new ATOM 0 HA MET A 88 105.629 3.719 7.207 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.418 3.833 9.315 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.481 2.474 9.008 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.468 3.880 9.605 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.419 5.255 9.886 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.022 1.470 12.351 1.00 0.00 H new ATOM 0 HE2 MET A 88 104.929 1.292 10.958 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.591 1.879 10.715 1.00 0.00 H new ATOM 1347 N ASP A 89 103.924 3.075 5.466 1.00 0.00 N ATOM 1348 CA ASP A 89 102.908 2.524 4.518 1.00 0.00 C ATOM 1349 C ASP A 89 103.111 1.011 4.392 1.00 0.00 C ATOM 1350 O ASP A 89 103.994 0.546 3.694 1.00 0.00 O ATOM 1351 CB ASP A 89 103.083 3.181 3.148 1.00 0.00 C ATOM 1352 CG ASP A 89 102.619 4.638 3.215 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.985 4.994 4.194 1.00 0.00 O ATOM 1354 OD2 ASP A 89 102.903 5.372 2.283 1.00 0.00 O ATOM 0 H ASP A 89 104.885 3.058 5.125 1.00 0.00 H new ATOM 0 HA ASP A 89 101.904 2.729 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.128 3.135 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.507 2.639 2.397 1.00 0.00 H new ATOM 1359 N HIS A 90 102.303 0.231 5.059 1.00 0.00 N ATOM 1360 CA HIS A 90 102.455 -1.250 4.980 1.00 0.00 C ATOM 1361 C HIS A 90 101.981 -1.771 3.619 1.00 0.00 C ATOM 1362 O HIS A 90 102.532 -2.710 3.082 1.00 0.00 O ATOM 1363 CB HIS A 90 101.635 -1.903 6.093 1.00 0.00 C ATOM 1364 CG HIS A 90 102.287 -1.631 7.420 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.347 -2.394 7.894 1.00 0.00 N ATOM 1366 CD2 HIS A 90 102.044 -0.685 8.386 1.00 0.00 C ATOM 1367 CE1 HIS A 90 103.697 -1.898 9.096 1.00 0.00 C ATOM 1368 NE2 HIS A 90 102.935 -0.858 9.439 1.00 0.00 N ATOM 0 H HIS A 90 101.543 0.557 5.656 1.00 0.00 H new ATOM 0 HA HIS A 90 103.509 -1.502 5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.618 -1.511 6.088 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.563 -2.977 5.924 1.00 0.00 H new ATOM 0 HD2 HIS A 90 101.279 0.076 8.335 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.495 -2.293 9.707 1.00 0.00 H new ATOM 0 HE2 HIS A 90 102.994 -0.306 10.294 1.00 0.00 H new ATOM 1377 N TYR A 91 100.958 -1.184 3.060 1.00 0.00 N ATOM 1378 CA TYR A 91 100.459 -1.671 1.741 1.00 0.00 C ATOM 1379 C TYR A 91 101.571 -1.551 0.696 1.00 0.00 C ATOM 1380 O TYR A 91 101.820 -2.465 -0.063 1.00 0.00 O ATOM 1381 CB TYR A 91 99.254 -0.838 1.303 1.00 0.00 C ATOM 1382 CG TYR A 91 98.842 -1.252 -0.089 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.178 -2.469 -0.291 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.126 -0.422 -1.179 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.800 -2.854 -1.584 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.748 -0.806 -2.471 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.085 -2.023 -2.673 1.00 0.00 C ATOM 1388 OH TYR A 91 97.713 -2.403 -3.947 1.00 0.00 O ATOM 0 H TYR A 91 100.449 -0.394 3.456 1.00 0.00 H new ATOM 0 HA TYR A 91 100.159 -2.715 1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.426 -0.981 1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.505 0.223 1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.958 -3.110 0.550 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.638 0.516 -1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.289 -3.792 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.967 -0.164 -3.311 1.00 0.00 H new ATOM 0 HH TYR A 91 97.985 -1.712 -4.587 1.00 0.00 H new ATOM 1398 N ASN A 92 102.247 -0.435 0.656 1.00 0.00 N ATOM 1399 CA ASN A 92 103.344 -0.271 -0.338 1.00 0.00 C ATOM 1400 C ASN A 92 104.656 -0.757 0.281 1.00 0.00 C ATOM 1401 O ASN A 92 105.681 -0.811 -0.371 1.00 0.00 O ATOM 1402 CB ASN A 92 103.471 1.204 -0.726 1.00 0.00 C ATOM 1403 CG ASN A 92 102.294 1.599 -1.621 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.640 0.749 -2.191 1.00 0.00 O ATOM 1405 ND2 ASN A 92 101.999 2.861 -1.771 1.00 0.00 N ATOM 0 H ASN A 92 102.088 0.367 1.266 1.00 0.00 H new ATOM 0 HA ASN A 92 103.122 -0.856 -1.231 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.486 1.826 0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.412 1.374 -1.249 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.218 3.135 -2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.549 3.574 -1.292 1.00 0.00 H new ATOM 1412 N ASN A 93 104.625 -1.128 1.534 1.00 0.00 N ATOM 1413 CA ASN A 93 105.858 -1.634 2.198 1.00 0.00 C ATOM 1414 C ASN A 93 106.991 -0.615 2.054 1.00 0.00 C ATOM 1415 O ASN A 93 108.099 -0.959 1.690 1.00 0.00 O ATOM 1416 CB ASN A 93 106.275 -2.958 1.552 1.00 0.00 C ATOM 1417 CG ASN A 93 105.249 -4.041 1.894 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.486 -3.898 2.828 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.200 -5.129 1.173 1.00 0.00 N ATOM 0 H ASN A 93 103.795 -1.102 2.126 1.00 0.00 H new ATOM 0 HA ASN A 93 105.655 -1.789 3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.348 -2.840 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.262 -3.253 1.907 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.521 -5.858 1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.840 -5.250 0.388 1.00 0.00 H new ATOM 1426 N THR A 94 106.728 0.638 2.336 1.00 0.00 N ATOM 1427 CA THR A 94 107.796 1.675 2.218 1.00 0.00 C ATOM 1428 C THR A 94 107.791 2.557 3.470 1.00 0.00 C ATOM 1429 O THR A 94 106.749 2.922 3.980 1.00 0.00 O ATOM 1430 CB THR A 94 107.540 2.538 0.980 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.434 3.643 0.983 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.099 3.046 0.995 1.00 0.00 C ATOM 0 H THR A 94 105.819 0.986 2.643 1.00 0.00 H new ATOM 0 HA THR A 94 108.766 1.187 2.122 1.00 0.00 H new ATOM 0 HB THR A 94 107.701 1.941 0.082 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.086 4.347 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 94 105.920 3.660 0.112 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.414 2.198 0.992 1.00 0.00 H new ATOM 0 HG23 THR A 94 105.933 3.643 1.892 1.00 0.00 H new ATOM 1440 N PHE A 95 108.953 2.893 3.975 1.00 0.00 N ATOM 1441 CA PHE A 95 109.012 3.744 5.205 1.00 0.00 C ATOM 1442 C PHE A 95 109.949 4.931 4.973 1.00 0.00 C ATOM 1443 O PHE A 95 110.981 4.794 4.360 1.00 0.00 O ATOM 1444 CB PHE A 95 109.547 2.899 6.363 1.00 0.00 C ATOM 1445 CG PHE A 95 108.684 1.670 6.528 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.952 0.521 5.771 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.619 1.677 7.435 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.153 -0.619 5.924 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.821 0.537 7.588 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.087 -0.611 6.831 1.00 0.00 C ATOM 0 H PHE A 95 109.857 2.617 3.592 1.00 0.00 H new ATOM 0 HA PHE A 95 108.015 4.117 5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.579 2.608 6.169 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.548 3.483 7.284 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.774 0.515 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.412 2.563 8.018 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.360 -1.505 5.342 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.000 0.543 8.290 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.470 -1.490 6.947 1.00 0.00 H new ATOM 1460 N TYR A 96 109.595 6.093 5.465 1.00 0.00 N ATOM 1461 CA TYR A 96 110.467 7.293 5.277 1.00 0.00 C ATOM 1462 C TYR A 96 110.527 8.089 6.587 1.00 0.00 C ATOM 1463 O TYR A 96 109.582 8.116 7.351 1.00 0.00 O ATOM 1464 CB TYR A 96 109.880 8.205 4.195 1.00 0.00 C ATOM 1465 CG TYR A 96 109.666 7.435 2.914 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.719 7.268 2.007 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.404 6.900 2.625 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.512 6.566 0.814 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.196 6.199 1.432 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.250 6.032 0.527 1.00 0.00 C ATOM 1471 OH TYR A 96 109.043 5.345 -0.652 1.00 0.00 O ATOM 0 H TYR A 96 108.737 6.262 5.990 1.00 0.00 H new ATOM 0 HA TYR A 96 111.462 6.959 4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.933 8.623 4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.552 9.044 4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.692 7.681 2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.591 7.029 3.324 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.325 6.436 0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.223 5.787 1.210 1.00 0.00 H new ATOM 0 HH TYR A 96 109.903 5.032 -1.004 1.00 0.00 H new ATOM 1481 N SER A 97 111.624 8.747 6.848 1.00 0.00 N ATOM 1482 CA SER A 97 111.736 9.552 8.098 1.00 0.00 C ATOM 1483 C SER A 97 112.723 10.703 7.869 1.00 0.00 C ATOM 1484 O SER A 97 113.601 10.624 7.025 1.00 0.00 O ATOM 1485 CB SER A 97 112.237 8.668 9.243 1.00 0.00 C ATOM 1486 OG SER A 97 111.305 7.619 9.469 1.00 0.00 O ATOM 0 H SER A 97 112.449 8.762 6.248 1.00 0.00 H new ATOM 0 HA SER A 97 110.757 9.953 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 97 113.215 8.254 8.997 1.00 0.00 H new ATOM 0 HB3 SER A 97 112.361 9.262 10.149 1.00 0.00 H new ATOM 0 HG SER A 97 111.650 7.018 10.162 1.00 0.00 H new ATOM 1492 N ARG A 98 112.595 11.770 8.616 1.00 0.00 N ATOM 1493 CA ARG A 98 113.532 12.920 8.448 1.00 0.00 C ATOM 1494 C ARG A 98 114.572 12.908 9.572 1.00 0.00 C ATOM 1495 O ARG A 98 114.246 12.696 10.727 1.00 0.00 O ATOM 1496 CB ARG A 98 112.749 14.237 8.496 1.00 0.00 C ATOM 1497 CG ARG A 98 112.153 14.549 7.117 1.00 0.00 C ATOM 1498 CD ARG A 98 113.150 15.385 6.307 1.00 0.00 C ATOM 1499 NE ARG A 98 112.469 15.920 5.094 1.00 0.00 N ATOM 1500 CZ ARG A 98 113.052 16.821 4.342 1.00 0.00 C ATOM 1501 NH1 ARG A 98 114.179 17.364 4.714 1.00 0.00 N ATOM 1502 NH2 ARG A 98 112.483 17.201 3.229 1.00 0.00 N ATOM 0 H ARG A 98 111.882 11.894 9.335 1.00 0.00 H new ATOM 0 HA ARG A 98 114.036 12.831 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 98 111.953 14.169 9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.406 15.048 8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 98 111.925 13.623 6.589 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.214 15.091 7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 98 113.534 16.205 6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 98 114.006 14.774 6.019 1.00 0.00 H new ATOM 0 HE ARG A 98 111.539 15.581 4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 98 114.612 17.088 5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 98 114.627 18.065 4.123 1.00 0.00 H new ATOM 0 HH21 ARG A 98 111.589 16.797 2.949 1.00 0.00 H new ATOM 0 HH22 ARG A 98 112.932 17.902 2.640 1.00 0.00 H new ATOM 1516 N LEU A 99 115.816 13.131 9.237 1.00 0.00 N ATOM 1517 CA LEU A 99 116.888 13.134 10.269 1.00 0.00 C ATOM 1518 C LEU A 99 117.060 14.551 10.832 1.00 0.00 C ATOM 1519 O LEU A 99 117.092 15.509 10.083 1.00 0.00 O ATOM 1520 CB LEU A 99 118.213 12.707 9.631 1.00 0.00 C ATOM 1521 CG LEU A 99 118.165 11.231 9.234 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.508 10.829 8.619 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.896 10.371 10.475 1.00 0.00 C ATOM 0 H LEU A 99 116.135 13.312 8.285 1.00 0.00 H new ATOM 0 HA LEU A 99 116.612 12.444 11.067 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.414 13.320 8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.031 12.875 10.331 1.00 0.00 H new ATOM 0 HG LEU A 99 117.367 11.077 8.508 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.478 9.777 8.335 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.701 11.438 7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.303 10.985 9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.862 9.320 10.189 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.693 10.524 11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 99 116.941 10.658 10.916 1.00 0.00 H new ATOM 1535 N PRO A 100 117.203 14.696 12.129 1.00 0.00 N ATOM 1536 CA PRO A 100 117.409 16.030 12.751 1.00 0.00 C ATOM 1537 C PRO A 100 118.457 16.841 11.986 1.00 0.00 C ATOM 1538 O PRO A 100 119.042 16.365 11.034 1.00 0.00 O ATOM 1539 CB PRO A 100 117.907 15.703 14.158 1.00 0.00 C ATOM 1540 CG PRO A 100 117.348 14.356 14.472 1.00 0.00 C ATOM 1541 CD PRO A 100 117.178 13.623 13.139 1.00 0.00 C ATOM 0 HA PRO A 100 116.502 16.635 12.749 1.00 0.00 H new ATOM 0 HB2 PRO A 100 118.996 15.695 14.198 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.567 16.447 14.878 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.017 13.805 15.133 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.392 14.445 14.988 1.00 0.00 H new ATOM 0 HD2 PRO A 100 117.980 12.904 12.975 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.241 13.068 13.107 1.00 0.00 H new ATOM 1549 N SER A 101 118.697 18.056 12.383 1.00 0.00 N ATOM 1550 CA SER A 101 119.707 18.881 11.666 1.00 0.00 C ATOM 1551 C SER A 101 121.102 18.598 12.224 1.00 0.00 C ATOM 1552 O SER A 101 122.099 18.965 11.634 1.00 0.00 O ATOM 1553 CB SER A 101 119.377 20.362 11.849 1.00 0.00 C ATOM 1554 OG SER A 101 118.350 20.730 10.938 1.00 0.00 O ATOM 0 H SER A 101 118.239 18.514 13.171 1.00 0.00 H new ATOM 0 HA SER A 101 119.687 18.629 10.606 1.00 0.00 H new ATOM 0 HB2 SER A 101 119.055 20.551 12.873 1.00 0.00 H new ATOM 0 HB3 SER A 101 120.266 20.969 11.677 1.00 0.00 H new ATOM 0 HG SER A 101 118.135 21.679 11.054 1.00 0.00 H new ATOM 1560 N LEU A 102 121.185 17.964 13.365 1.00 0.00 N ATOM 1561 CA LEU A 102 122.520 17.676 13.972 1.00 0.00 C ATOM 1562 C LEU A 102 122.709 16.168 14.163 1.00 0.00 C ATOM 1563 O LEU A 102 121.866 15.492 14.717 1.00 0.00 O ATOM 1564 CB LEU A 102 122.606 18.378 15.329 1.00 0.00 C ATOM 1565 CG LEU A 102 124.003 18.193 15.925 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.051 18.806 14.992 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.063 18.891 17.286 1.00 0.00 C ATOM 0 H LEU A 102 120.385 17.633 13.904 1.00 0.00 H new ATOM 0 HA LEU A 102 123.303 18.041 13.308 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.389 19.440 15.213 1.00 0.00 H new ATOM 0 HB3 LEU A 102 121.855 17.971 16.007 1.00 0.00 H new ATOM 0 HG LEU A 102 124.209 17.129 16.044 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.044 18.671 15.421 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.006 18.313 14.021 1.00 0.00 H new ATOM 0 HD13 LEU A 102 124.850 19.870 14.869 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.056 18.763 17.717 1.00 0.00 H new ATOM 0 HD22 LEU A 102 123.856 19.954 17.159 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.319 18.454 17.952 1.00 0.00 H new ATOM 1579 N ILE A 103 123.823 15.641 13.721 1.00 0.00 N ATOM 1580 CA ILE A 103 124.088 14.182 13.893 1.00 0.00 C ATOM 1581 C ILE A 103 125.598 13.970 14.016 1.00 0.00 C ATOM 1582 O ILE A 103 126.318 14.013 13.037 1.00 0.00 O ATOM 1583 CB ILE A 103 123.569 13.408 12.680 1.00 0.00 C ATOM 1584 CG1 ILE A 103 122.087 13.722 12.461 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.729 11.904 12.925 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.555 12.910 11.276 1.00 0.00 C ATOM 0 H ILE A 103 124.562 16.161 13.247 1.00 0.00 H new ATOM 0 HA ILE A 103 123.580 13.822 14.788 1.00 0.00 H new ATOM 0 HB ILE A 103 124.140 13.702 11.799 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.519 13.485 13.360 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.955 14.787 12.272 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.359 11.353 12.060 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.782 11.671 13.080 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.160 11.617 13.809 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.500 13.137 11.124 1.00 0.00 H new ATOM 0 HD12 ILE A 103 122.115 13.168 10.377 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.671 11.846 11.482 1.00 0.00 H new ATOM 1598 N SER A 104 126.088 13.750 15.208 1.00 0.00 N ATOM 1599 CA SER A 104 127.558 13.548 15.388 1.00 0.00 C ATOM 1600 C SER A 104 127.819 12.168 15.993 1.00 0.00 C ATOM 1601 O SER A 104 128.942 11.817 16.296 1.00 0.00 O ATOM 1602 CB SER A 104 128.104 14.627 16.324 1.00 0.00 C ATOM 1603 OG SER A 104 127.657 14.371 17.649 1.00 0.00 O ATOM 0 H SER A 104 125.536 13.701 16.064 1.00 0.00 H new ATOM 0 HA SER A 104 128.055 13.615 14.420 1.00 0.00 H new ATOM 0 HB2 SER A 104 129.193 14.636 16.291 1.00 0.00 H new ATOM 0 HB3 SER A 104 127.767 15.611 15.998 1.00 0.00 H new ATOM 0 HG SER A 104 128.007 15.060 18.251 1.00 0.00 H new ATOM 1609 N ASP A 105 126.793 11.384 16.181 1.00 0.00 N ATOM 1610 CA ASP A 105 126.987 10.031 16.776 1.00 0.00 C ATOM 1611 C ASP A 105 127.144 8.990 15.665 1.00 0.00 C ATOM 1612 O ASP A 105 126.738 9.201 14.543 1.00 0.00 O ATOM 1613 CB ASP A 105 125.775 9.678 17.640 1.00 0.00 C ATOM 1614 CG ASP A 105 126.060 8.393 18.420 1.00 0.00 C ATOM 1615 OD1 ASP A 105 127.137 8.291 18.983 1.00 0.00 O ATOM 1616 OD2 ASP A 105 125.195 7.532 18.441 1.00 0.00 O ATOM 0 H ASP A 105 125.829 11.622 15.948 1.00 0.00 H new ATOM 0 HA ASP A 105 127.887 10.035 17.391 1.00 0.00 H new ATOM 0 HB2 ASP A 105 125.557 10.494 18.330 1.00 0.00 H new ATOM 0 HB3 ASP A 105 124.894 9.547 17.012 1.00 0.00 H new ATOM 1621 N ASN A 106 127.727 7.865 15.978 1.00 0.00 N ATOM 1622 CA ASN A 106 127.912 6.793 14.956 1.00 0.00 C ATOM 1623 C ASN A 106 126.768 5.784 15.078 1.00 0.00 C ATOM 1624 O ASN A 106 126.951 4.599 14.891 1.00 0.00 O ATOM 1625 CB ASN A 106 129.241 6.076 15.197 1.00 0.00 C ATOM 1626 CG ASN A 106 130.404 6.998 14.827 1.00 0.00 C ATOM 1627 OD1 ASN A 106 130.230 7.953 14.098 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.593 6.746 15.304 1.00 0.00 N ATOM 0 H ASN A 106 128.086 7.640 16.906 1.00 0.00 H new ATOM 0 HA ASN A 106 127.915 7.236 13.960 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.320 5.779 16.243 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.285 5.164 14.602 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.378 7.352 15.064 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.737 5.943 15.916 1.00 0.00 H new ATOM 1635 N TRP A 107 125.596 6.240 15.428 1.00 0.00 N ATOM 1636 CA TRP A 107 124.453 5.297 15.602 1.00 0.00 C ATOM 1637 C TRP A 107 124.082 4.647 14.267 1.00 0.00 C ATOM 1638 O TRP A 107 124.324 5.188 13.205 1.00 0.00 O ATOM 1639 CB TRP A 107 123.240 6.056 16.154 1.00 0.00 C ATOM 1640 CG TRP A 107 122.735 7.024 15.132 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.389 8.135 14.721 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.475 6.998 14.397 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.617 8.787 13.778 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.428 8.126 13.544 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.383 6.113 14.386 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.336 8.367 12.710 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.281 6.354 13.548 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.258 7.479 12.713 1.00 0.00 C ATOM 0 H TRP A 107 125.380 7.222 15.601 1.00 0.00 H new ATOM 0 HA TRP A 107 124.750 4.516 16.302 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.451 5.353 16.422 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.516 6.587 17.065 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.357 8.460 15.073 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.892 9.651 13.312 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.391 5.243 15.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.324 9.234 12.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.447 5.668 13.548 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.407 7.659 12.072 1.00 0.00 H new ATOM 1659 N LYS A 108 123.500 3.478 14.328 1.00 0.00 N ATOM 1660 CA LYS A 108 123.105 2.759 13.086 1.00 0.00 C ATOM 1661 C LYS A 108 121.815 1.980 13.354 1.00 0.00 C ATOM 1662 O LYS A 108 121.518 1.628 14.479 1.00 0.00 O ATOM 1663 CB LYS A 108 124.218 1.788 12.686 1.00 0.00 C ATOM 1664 CG LYS A 108 124.336 0.680 13.738 1.00 0.00 C ATOM 1665 CD LYS A 108 125.542 -0.207 13.420 1.00 0.00 C ATOM 1666 CE LYS A 108 125.255 -1.040 12.168 1.00 0.00 C ATOM 1667 NZ LYS A 108 126.247 -2.148 12.071 1.00 0.00 N ATOM 0 H LYS A 108 123.280 2.988 15.195 1.00 0.00 H new ATOM 0 HA LYS A 108 122.943 3.472 12.278 1.00 0.00 H new ATOM 0 HB2 LYS A 108 124.003 1.355 11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 108 125.165 2.321 12.597 1.00 0.00 H new ATOM 0 HG2 LYS A 108 124.446 1.118 14.730 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.426 0.081 13.753 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.427 0.409 13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 108 125.755 -0.863 14.264 1.00 0.00 H new ATOM 0 HE2 LYS A 108 124.244 -1.445 12.212 1.00 0.00 H new ATOM 0 HE3 LYS A 108 125.308 -0.411 11.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 126.053 -2.714 11.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 127.206 -1.751 12.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 126.175 -2.753 12.914 1.00 0.00 H new ATOM 1681 N PHE A 109 121.051 1.696 12.334 1.00 0.00 N ATOM 1682 CA PHE A 109 119.789 0.926 12.548 1.00 0.00 C ATOM 1683 C PHE A 109 119.435 0.192 11.253 1.00 0.00 C ATOM 1684 O PHE A 109 119.950 0.507 10.196 1.00 0.00 O ATOM 1685 CB PHE A 109 118.661 1.883 12.945 1.00 0.00 C ATOM 1686 CG PHE A 109 118.260 2.733 11.765 1.00 0.00 C ATOM 1687 CD1 PHE A 109 118.918 3.942 11.514 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.218 2.316 10.927 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.537 4.734 10.425 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.837 3.107 9.838 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.495 4.316 9.586 1.00 0.00 C ATOM 0 H PHE A 109 121.243 1.961 11.368 1.00 0.00 H new ATOM 0 HA PHE A 109 119.924 0.201 13.350 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.802 1.316 13.303 1.00 0.00 H new ATOM 0 HB3 PHE A 109 118.987 2.520 13.767 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.720 4.264 12.161 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.709 1.384 11.122 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.046 5.667 10.231 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.034 2.784 9.191 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.200 4.927 8.745 1.00 0.00 H new ATOM 1701 N PHE A 110 118.580 -0.798 11.311 1.00 0.00 N ATOM 1702 CA PHE A 110 118.244 -1.538 10.062 1.00 0.00 C ATOM 1703 C PHE A 110 116.840 -2.152 10.123 1.00 0.00 C ATOM 1704 O PHE A 110 116.261 -2.321 11.176 1.00 0.00 O ATOM 1705 CB PHE A 110 119.273 -2.654 9.858 1.00 0.00 C ATOM 1706 CG PHE A 110 119.520 -3.362 11.170 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.375 -2.791 12.123 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.902 -4.589 11.433 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.611 -3.448 13.336 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.138 -5.247 12.648 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.992 -4.676 13.598 1.00 0.00 C ATOM 0 H PHE A 110 118.108 -1.120 12.156 1.00 0.00 H new ATOM 0 HA PHE A 110 118.264 -0.833 9.231 1.00 0.00 H new ATOM 0 HB2 PHE A 110 118.912 -3.363 9.113 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.205 -2.238 9.477 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.852 -1.843 11.921 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.243 -5.030 10.700 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.270 -3.008 14.070 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.661 -6.194 12.851 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.174 -5.183 14.534 1.00 0.00 H new ATOM 1721 N CYS A 111 116.311 -2.505 8.979 1.00 0.00 N ATOM 1722 CA CYS A 111 114.960 -3.139 8.907 1.00 0.00 C ATOM 1723 C CYS A 111 115.088 -4.429 8.099 1.00 0.00 C ATOM 1724 O CYS A 111 116.021 -4.589 7.340 1.00 0.00 O ATOM 1725 CB CYS A 111 113.974 -2.196 8.207 1.00 0.00 C ATOM 1726 SG CYS A 111 113.648 -0.757 9.258 1.00 0.00 S ATOM 0 H CYS A 111 116.767 -2.378 8.076 1.00 0.00 H new ATOM 0 HA CYS A 111 114.590 -3.348 9.911 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.383 -1.873 7.250 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.043 -2.721 7.995 1.00 0.00 H new ATOM 1731 N VAL A 112 114.188 -5.365 8.260 1.00 0.00 N ATOM 1732 CA VAL A 112 114.314 -6.646 7.498 1.00 0.00 C ATOM 1733 C VAL A 112 113.009 -7.016 6.789 1.00 0.00 C ATOM 1734 O VAL A 112 111.924 -6.853 7.312 1.00 0.00 O ATOM 1735 CB VAL A 112 114.696 -7.768 8.462 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.517 -9.119 7.768 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.157 -7.602 8.882 1.00 0.00 C ATOM 0 H VAL A 112 113.380 -5.301 8.879 1.00 0.00 H new ATOM 0 HA VAL A 112 115.084 -6.512 6.739 1.00 0.00 H new ATOM 0 HB VAL A 112 114.056 -7.724 9.343 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.789 -9.920 8.455 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.476 -9.238 7.466 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.157 -9.163 6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.431 -8.402 9.570 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.796 -7.647 8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.287 -6.639 9.376 1.00 0.00 H new ATOM 1747 N CYS A 113 113.128 -7.564 5.603 1.00 0.00 N ATOM 1748 CA CYS A 113 111.936 -8.022 4.833 1.00 0.00 C ATOM 1749 C CYS A 113 112.150 -9.508 4.522 1.00 0.00 C ATOM 1750 O CYS A 113 113.219 -9.899 4.095 1.00 0.00 O ATOM 1751 CB CYS A 113 111.830 -7.238 3.522 1.00 0.00 C ATOM 1752 SG CYS A 113 111.602 -5.477 3.871 1.00 0.00 S ATOM 0 H CYS A 113 114.019 -7.714 5.131 1.00 0.00 H new ATOM 0 HA CYS A 113 111.021 -7.864 5.404 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.731 -7.386 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 113 110.993 -7.612 2.932 1.00 0.00 H new ATOM 1757 N SER A 114 111.179 -10.356 4.743 1.00 0.00 N ATOM 1758 CA SER A 114 111.419 -11.802 4.463 1.00 0.00 C ATOM 1759 C SER A 114 110.129 -12.620 4.566 1.00 0.00 C ATOM 1760 O SER A 114 109.070 -12.117 4.884 1.00 0.00 O ATOM 1761 CB SER A 114 112.418 -12.340 5.484 1.00 0.00 C ATOM 1762 OG SER A 114 111.810 -12.344 6.769 1.00 0.00 O ATOM 0 H SER A 114 110.252 -10.118 5.096 1.00 0.00 H new ATOM 0 HA SER A 114 111.803 -11.892 3.447 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.729 -13.349 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.316 -11.722 5.494 1.00 0.00 H new ATOM 0 HG SER A 114 112.445 -12.690 7.430 1.00 0.00 H new ATOM 1768 N LYS A 115 110.240 -13.898 4.308 1.00 0.00 N ATOM 1769 CA LYS A 115 109.074 -14.821 4.399 1.00 0.00 C ATOM 1770 C LYS A 115 109.608 -16.223 4.703 1.00 0.00 C ATOM 1771 O LYS A 115 110.782 -16.488 4.553 1.00 0.00 O ATOM 1772 CB LYS A 115 108.301 -14.859 3.076 1.00 0.00 C ATOM 1773 CG LYS A 115 107.468 -13.587 2.912 1.00 0.00 C ATOM 1774 CD LYS A 115 106.400 -13.818 1.837 1.00 0.00 C ATOM 1775 CE LYS A 115 107.063 -14.330 0.556 1.00 0.00 C ATOM 1776 NZ LYS A 115 107.240 -15.808 0.644 1.00 0.00 N ATOM 0 H LYS A 115 111.112 -14.349 4.032 1.00 0.00 H new ATOM 0 HA LYS A 115 108.398 -14.475 5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.997 -14.956 2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.651 -15.733 3.052 1.00 0.00 H new ATOM 0 HG2 LYS A 115 106.997 -13.322 3.859 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.109 -12.752 2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.664 -14.540 2.191 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.865 -12.890 1.636 1.00 0.00 H new ATOM 0 HE2 LYS A 115 106.450 -14.077 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 115 108.029 -13.845 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 107.690 -16.156 -0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 107.841 -16.038 1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 106.312 -16.263 0.759 1.00 0.00 H new ATOM 1790 N ASP A 116 108.770 -17.126 5.121 1.00 0.00 N ATOM 1791 CA ASP A 116 109.260 -18.503 5.413 1.00 0.00 C ATOM 1792 C ASP A 116 109.915 -19.083 4.153 1.00 0.00 C ATOM 1793 O ASP A 116 109.572 -18.723 3.045 1.00 0.00 O ATOM 1794 CB ASP A 116 108.083 -19.385 5.834 1.00 0.00 C ATOM 1795 CG ASP A 116 107.625 -18.987 7.240 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.363 -18.274 7.901 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.547 -19.400 7.630 1.00 0.00 O ATOM 0 H ASP A 116 107.773 -16.974 5.273 1.00 0.00 H new ATOM 0 HA ASP A 116 109.991 -18.470 6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 116 107.261 -19.275 5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.377 -20.434 5.819 1.00 0.00 H new ATOM 1802 N ASN A 117 110.853 -19.978 4.314 1.00 0.00 N ATOM 1803 CA ASN A 117 111.524 -20.579 3.122 1.00 0.00 C ATOM 1804 C ASN A 117 111.869 -19.478 2.115 1.00 0.00 C ATOM 1805 O ASN A 117 111.410 -19.499 0.992 1.00 0.00 O ATOM 1806 CB ASN A 117 110.586 -21.593 2.464 1.00 0.00 C ATOM 1807 CG ASN A 117 111.370 -22.437 1.456 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.524 -22.748 1.673 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.787 -22.824 0.354 1.00 0.00 N ATOM 0 H ASN A 117 111.184 -20.319 5.217 1.00 0.00 H new ATOM 0 HA ASN A 117 112.439 -21.080 3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.139 -22.236 3.222 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.768 -21.075 1.962 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.300 -23.387 -0.324 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.818 -22.563 0.171 1.00 0.00 H new ATOM 1816 N GLU A 118 112.681 -18.524 2.497 1.00 0.00 N ATOM 1817 CA GLU A 118 113.045 -17.427 1.548 1.00 0.00 C ATOM 1818 C GLU A 118 114.258 -16.653 2.075 1.00 0.00 C ATOM 1819 O GLU A 118 114.421 -16.472 3.265 1.00 0.00 O ATOM 1820 CB GLU A 118 111.865 -16.457 1.416 1.00 0.00 C ATOM 1821 CG GLU A 118 110.783 -17.048 0.507 1.00 0.00 C ATOM 1822 CD GLU A 118 109.935 -15.919 -0.078 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.213 -14.773 0.232 1.00 0.00 O ATOM 1824 OE2 GLU A 118 109.024 -16.221 -0.831 1.00 0.00 O ATOM 0 H GLU A 118 113.106 -18.457 3.422 1.00 0.00 H new ATOM 0 HA GLU A 118 113.285 -17.866 0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.447 -16.248 2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.211 -15.507 1.009 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.243 -17.625 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.153 -17.734 1.073 1.00 0.00 H new ATOM 1831 N LYS A 119 115.106 -16.184 1.194 1.00 0.00 N ATOM 1832 CA LYS A 119 116.302 -15.410 1.642 1.00 0.00 C ATOM 1833 C LYS A 119 115.835 -14.122 2.331 1.00 0.00 C ATOM 1834 O LYS A 119 114.937 -13.451 1.862 1.00 0.00 O ATOM 1835 CB LYS A 119 117.163 -15.055 0.425 1.00 0.00 C ATOM 1836 CG LYS A 119 117.797 -16.326 -0.150 1.00 0.00 C ATOM 1837 CD LYS A 119 118.522 -15.989 -1.456 1.00 0.00 C ATOM 1838 CE LYS A 119 119.823 -15.243 -1.149 1.00 0.00 C ATOM 1839 NZ LYS A 119 120.673 -15.199 -2.371 1.00 0.00 N ATOM 0 H LYS A 119 115.021 -16.304 0.185 1.00 0.00 H new ATOM 0 HA LYS A 119 116.889 -16.008 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.552 -14.567 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.941 -14.347 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 119 118.498 -16.752 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 119 117.029 -17.078 -0.331 1.00 0.00 H new ATOM 0 HD2 LYS A 119 118.738 -16.903 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 119 117.882 -15.376 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 119 119.603 -14.231 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 119 120.357 -15.741 -0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 121.556 -14.692 -2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 120.894 -16.169 -2.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 120.163 -14.706 -3.131 1.00 0.00 H new ATOM 1853 N LYS A 120 116.429 -13.777 3.444 1.00 0.00 N ATOM 1854 CA LYS A 120 116.007 -12.539 4.166 1.00 0.00 C ATOM 1855 C LYS A 120 116.731 -11.313 3.594 1.00 0.00 C ATOM 1856 O LYS A 120 117.874 -11.385 3.171 1.00 0.00 O ATOM 1857 CB LYS A 120 116.320 -12.681 5.658 1.00 0.00 C ATOM 1858 CG LYS A 120 117.779 -13.104 5.845 1.00 0.00 C ATOM 1859 CD LYS A 120 118.069 -13.288 7.337 1.00 0.00 C ATOM 1860 CE LYS A 120 119.514 -13.750 7.528 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.800 -13.910 8.983 1.00 0.00 N ATOM 0 H LYS A 120 117.187 -14.298 3.884 1.00 0.00 H new ATOM 0 HA LYS A 120 114.934 -12.402 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.138 -11.735 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 120 115.657 -13.419 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 120 117.971 -14.033 5.309 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.444 -12.350 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 120 117.904 -12.350 7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.383 -14.021 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 120 119.676 -14.695 7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 120 120.199 -13.024 7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 120.783 -14.224 9.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 119.662 -12.999 9.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 119.155 -14.618 9.388 1.00 0.00 H new ATOM 1875 N LEU A 121 116.065 -10.184 3.579 1.00 0.00 N ATOM 1876 CA LEU A 121 116.696 -8.942 3.041 1.00 0.00 C ATOM 1877 C LEU A 121 116.942 -7.963 4.193 1.00 0.00 C ATOM 1878 O LEU A 121 116.030 -7.606 4.911 1.00 0.00 O ATOM 1879 CB LEU A 121 115.753 -8.299 2.020 1.00 0.00 C ATOM 1880 CG LEU A 121 115.359 -9.330 0.959 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.325 -8.720 0.010 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.597 -9.740 0.161 1.00 0.00 C ATOM 0 H LEU A 121 115.109 -10.071 3.917 1.00 0.00 H new ATOM 0 HA LEU A 121 117.643 -9.187 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.862 -7.921 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.240 -7.446 1.548 1.00 0.00 H new ATOM 0 HG LEU A 121 114.933 -10.206 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.046 -9.455 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.441 -8.426 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.751 -7.843 -0.478 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.316 -10.474 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.023 -8.863 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.336 -10.176 0.834 1.00 0.00 H new ATOM 1894 N VAL A 122 118.162 -7.528 4.385 1.00 0.00 N ATOM 1895 CA VAL A 122 118.447 -6.582 5.509 1.00 0.00 C ATOM 1896 C VAL A 122 118.756 -5.181 4.970 1.00 0.00 C ATOM 1897 O VAL A 122 119.580 -5.001 4.096 1.00 0.00 O ATOM 1898 CB VAL A 122 119.658 -7.086 6.302 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.138 -5.986 7.255 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.265 -8.327 7.115 1.00 0.00 C ATOM 0 H VAL A 122 118.969 -7.785 3.816 1.00 0.00 H new ATOM 0 HA VAL A 122 117.568 -6.531 6.151 1.00 0.00 H new ATOM 0 HB VAL A 122 120.458 -7.346 5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.999 -6.344 7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.422 -5.105 6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.335 -5.726 7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.129 -8.682 7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.463 -8.070 7.806 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.924 -9.112 6.439 1.00 0.00 H new ATOM 1910 N PHE A 123 118.108 -4.186 5.513 1.00 0.00 N ATOM 1911 CA PHE A 123 118.359 -2.779 5.085 1.00 0.00 C ATOM 1912 C PHE A 123 119.058 -2.058 6.236 1.00 0.00 C ATOM 1913 O PHE A 123 118.550 -2.026 7.331 1.00 0.00 O ATOM 1914 CB PHE A 123 117.015 -2.108 4.774 1.00 0.00 C ATOM 1915 CG PHE A 123 117.167 -0.605 4.798 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.925 0.036 3.817 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.536 0.144 5.798 1.00 0.00 C ATOM 1918 CE1 PHE A 123 118.056 1.429 3.833 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.668 1.536 5.817 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.428 2.180 4.834 1.00 0.00 C ATOM 0 H PHE A 123 117.406 -4.290 6.245 1.00 0.00 H new ATOM 0 HA PHE A 123 118.984 -2.743 4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.657 -2.429 3.796 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.268 -2.417 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.410 -0.543 3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 123 115.947 -0.353 6.555 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.642 1.925 3.073 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.184 2.114 6.590 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.530 3.255 4.848 1.00 0.00 H new ATOM 1930 N THR A 124 120.227 -1.501 6.020 1.00 0.00 N ATOM 1931 CA THR A 124 120.933 -0.822 7.152 1.00 0.00 C ATOM 1932 C THR A 124 121.570 0.504 6.725 1.00 0.00 C ATOM 1933 O THR A 124 122.115 0.642 5.644 1.00 0.00 O ATOM 1934 CB THR A 124 122.021 -1.758 7.687 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.471 -1.284 8.947 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.193 -1.798 6.706 1.00 0.00 C ATOM 0 H THR A 124 120.715 -1.487 5.125 1.00 0.00 H new ATOM 0 HA THR A 124 120.196 -0.598 7.924 1.00 0.00 H new ATOM 0 HB THR A 124 121.613 -2.762 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 124 121.767 -0.745 9.364 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.966 -2.465 7.089 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.846 -2.163 5.739 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.604 -0.795 6.589 1.00 0.00 H new ATOM 1944 N VAL A 125 121.537 1.472 7.609 1.00 0.00 N ATOM 1945 CA VAL A 125 122.162 2.793 7.324 1.00 0.00 C ATOM 1946 C VAL A 125 122.966 3.216 8.560 1.00 0.00 C ATOM 1947 O VAL A 125 122.704 2.761 9.663 1.00 0.00 O ATOM 1948 CB VAL A 125 121.077 3.830 7.022 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.041 3.225 6.071 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.386 4.250 8.321 1.00 0.00 C ATOM 0 H VAL A 125 121.097 1.398 8.526 1.00 0.00 H new ATOM 0 HA VAL A 125 122.818 2.722 6.456 1.00 0.00 H new ATOM 0 HB VAL A 125 121.536 4.703 6.557 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.269 3.964 5.856 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.529 2.930 5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.587 2.350 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.615 4.988 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.930 3.378 8.789 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.120 4.684 9.000 1.00 0.00 H new ATOM 1960 N GLU A 126 123.943 4.073 8.399 1.00 0.00 N ATOM 1961 CA GLU A 126 124.758 4.500 9.577 1.00 0.00 C ATOM 1962 C GLU A 126 124.954 6.017 9.564 1.00 0.00 C ATOM 1963 O GLU A 126 124.891 6.655 8.532 1.00 0.00 O ATOM 1964 CB GLU A 126 126.124 3.813 9.518 1.00 0.00 C ATOM 1965 CG GLU A 126 126.950 4.212 10.741 1.00 0.00 C ATOM 1966 CD GLU A 126 128.283 3.461 10.727 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.592 2.861 9.710 1.00 0.00 O ATOM 1968 OE2 GLU A 126 128.973 3.499 11.733 1.00 0.00 O ATOM 0 H GLU A 126 124.210 4.493 7.509 1.00 0.00 H new ATOM 0 HA GLU A 126 124.237 4.218 10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 126 125.997 2.731 9.489 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.647 4.097 8.605 1.00 0.00 H new ATOM 0 HG2 GLU A 126 127.127 5.288 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 126 126.401 3.982 11.654 1.00 0.00 H new ATOM 1975 N ALA A 127 125.194 6.597 10.711 1.00 0.00 N ATOM 1976 CA ALA A 127 125.399 8.071 10.777 1.00 0.00 C ATOM 1977 C ALA A 127 126.049 8.434 12.113 1.00 0.00 C ATOM 1978 O ALA A 127 126.769 9.419 12.153 1.00 0.00 O ATOM 1979 CB ALA A 127 124.049 8.782 10.659 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.814 7.718 13.076 1.00 0.00 O ATOM 0 H ALA A 127 125.257 6.111 11.606 1.00 0.00 H new ATOM 0 HA ALA A 127 126.047 8.384 9.958 1.00 0.00 H new ATOM 0 HB1 ALA A 127 124.200 9.860 10.707 1.00 0.00 H new ATOM 0 HB2 ALA A 127 123.583 8.523 9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.400 8.469 11.477 1.00 0.00 H new