USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=29 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 -79:sc= -0.594! USER MOD Set 1.2: A 96 TYR OH : rot 130:sc= 0.425 USER MOD Set 2.1: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.166 K(o=-0.17,f=-3.5!) USER MOD Single : A 2 LYS NZ :NH3+ 161:sc= -0.0809 (180deg=-0.532) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 10 THR OG1 : rot -34:sc= 0.115! USER MOD Single : A 11 SER OG : rot -18:sc= -2.4! USER MOD Single : A 13 SER OG : rot -65:sc= -1.79! USER MOD Single : A 14 THR OG1 : rot 3:sc= 0.818! USER MOD Single : A 17 SER OG : rot 160:sc=-0.00473 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.261 X(o=-0.26,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1.8!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -30:sc= 0.265 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.051) 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 HE2:sc= 0.103 K(o=0.1,f=-5.4!) USER MOD Single : A 69 ASN : amide:sc= -0.0275 K(o=-0.028,f=-2.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 157:sc= -0.0379 (180deg=-0.366) USER MOD Single : A 76 ASN : amide:sc= -0.0652 K(o=-0.065,f=-2!) USER MOD Single : A 79 ASN : amide:sc= -2.74 K(o=-2.7,f=-6.6!) USER MOD Single : A 80 LYS NZ :NH3+ 154:sc= -0.904 (180deg=-2.6!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0637 K(o=-0.064,f=-2.3!) USER MOD Single : A 88 MET CE :methyl 158:sc= -0.0583 (180deg=-0.651) 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= -0.271 K(o=-0.27,f=-3.3!) USER MOD Single : A 93 ASN : amide:sc= -4.35! C(o=-4.3!,f=-9.8!) USER MOD Single : A 97 SER OG : rot 117:sc= -3.32! 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= -0.0452 K(o=-0.045,f=-1.8!) 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+ -121:sc= -3.09! (180deg=-4.93!) USER MOD Single : A 117 ASN : amide:sc= -0.0919 K(o=-0.092,f=-1.2!) USER MOD Single : A 119 LYS NZ :NH3+ -161:sc= -0.0722 (180deg=-0.499) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= -0.0181 USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 116.858 12.188 -5.025 1.00 0.00 N ATOM 19 CA LYS A 2 116.513 10.765 -4.748 1.00 0.00 C ATOM 20 C LYS A 2 116.630 10.501 -3.245 1.00 0.00 C ATOM 21 O LYS A 2 117.408 11.128 -2.553 1.00 0.00 O ATOM 22 CB LYS A 2 117.465 9.845 -5.517 1.00 0.00 C ATOM 23 CG LYS A 2 117.216 9.997 -7.020 1.00 0.00 C ATOM 24 CD LYS A 2 118.146 9.062 -7.794 1.00 0.00 C ATOM 25 CE LYS A 2 117.863 9.181 -9.293 1.00 0.00 C ATOM 26 NZ LYS A 2 118.159 10.570 -9.747 1.00 0.00 N ATOM 0 HA LYS A 2 115.491 10.566 -5.071 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.499 10.095 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.311 8.809 -5.215 1.00 0.00 H new ATOM 0 HG2 LYS A 2 116.176 9.765 -7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 2 117.387 11.030 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 2 119.186 9.316 -7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 2 117.998 8.033 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 2 118.474 8.468 -9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 2 116.821 8.934 -9.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 118.282 10.579 -10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 117.370 11.196 -9.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 119.032 10.905 -9.292 1.00 0.00 H new ATOM 40 N VAL A 3 115.850 9.590 -2.731 1.00 0.00 N ATOM 41 CA VAL A 3 115.896 9.294 -1.270 1.00 0.00 C ATOM 42 C VAL A 3 116.890 8.166 -0.989 1.00 0.00 C ATOM 43 O VAL A 3 116.920 7.168 -1.676 1.00 0.00 O ATOM 44 CB VAL A 3 114.506 8.861 -0.799 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.554 8.495 0.689 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.515 10.006 -1.017 1.00 0.00 C ATOM 0 H VAL A 3 115.179 9.035 -3.262 1.00 0.00 H new ATOM 0 HA VAL A 3 116.212 10.191 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 3 114.185 7.990 -1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.562 8.187 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.257 7.676 0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.877 9.361 1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.524 9.699 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.836 10.878 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.477 10.258 -2.077 1.00 0.00 H new ATOM 56 N LYS A 4 117.706 8.310 0.021 1.00 0.00 N ATOM 57 CA LYS A 4 118.680 7.224 0.328 1.00 0.00 C ATOM 58 C LYS A 4 117.911 6.018 0.856 1.00 0.00 C ATOM 59 O LYS A 4 117.186 6.110 1.825 1.00 0.00 O ATOM 60 CB LYS A 4 119.668 7.705 1.395 1.00 0.00 C ATOM 61 CG LYS A 4 120.370 8.985 0.931 1.00 0.00 C ATOM 62 CD LYS A 4 121.341 8.666 -0.211 1.00 0.00 C ATOM 63 CE LYS A 4 122.090 9.934 -0.612 1.00 0.00 C ATOM 64 NZ LYS A 4 123.046 9.613 -1.711 1.00 0.00 N ATOM 0 H LYS A 4 117.741 9.121 0.639 1.00 0.00 H new ATOM 0 HA LYS A 4 119.232 6.953 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.141 7.890 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.407 6.928 1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.631 9.714 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 4 120.910 9.435 1.764 1.00 0.00 H new ATOM 0 HD2 LYS A 4 122.047 7.897 0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.795 8.268 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.385 10.699 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.626 10.340 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 123.559 10.474 -1.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.725 8.896 -1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 122.522 9.244 -2.530 1.00 0.00 H new ATOM 78 N GLY A 5 118.061 4.888 0.225 1.00 0.00 N ATOM 79 CA GLY A 5 117.326 3.683 0.694 1.00 0.00 C ATOM 80 C GLY A 5 117.660 2.496 -0.204 1.00 0.00 C ATOM 81 O GLY A 5 118.342 2.632 -1.199 1.00 0.00 O ATOM 0 H GLY A 5 118.657 4.747 -0.591 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.597 3.459 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.253 3.871 0.680 1.00 0.00 H new ATOM 85 N CYS A 6 117.174 1.332 0.135 1.00 0.00 N ATOM 86 CA CYS A 6 117.451 0.129 -0.699 1.00 0.00 C ATOM 87 C CYS A 6 116.145 -0.374 -1.308 1.00 0.00 C ATOM 88 O CYS A 6 115.165 -0.587 -0.614 1.00 0.00 O ATOM 89 CB CYS A 6 118.044 -0.966 0.188 1.00 0.00 C ATOM 90 SG CYS A 6 118.881 -2.197 -0.841 1.00 0.00 S ATOM 0 H CYS A 6 116.595 1.163 0.957 1.00 0.00 H new ATOM 0 HA CYS A 6 118.152 0.385 -1.494 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.748 -0.531 0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.256 -1.441 0.772 1.00 0.00 H new ATOM 95 N ASP A 7 116.122 -0.568 -2.600 1.00 0.00 N ATOM 96 CA ASP A 7 114.881 -1.070 -3.256 1.00 0.00 C ATOM 97 C ASP A 7 115.071 -2.538 -3.645 1.00 0.00 C ATOM 98 O ASP A 7 115.809 -2.856 -4.559 1.00 0.00 O ATOM 99 CB ASP A 7 114.596 -0.242 -4.508 1.00 0.00 C ATOM 100 CG ASP A 7 113.189 -0.556 -5.020 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.621 -1.538 -4.572 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.703 0.191 -5.855 1.00 0.00 O ATOM 0 H ASP A 7 116.908 -0.401 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 7 114.042 -0.982 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.683 0.821 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.333 -0.465 -5.279 1.00 0.00 H new ATOM 107 N PHE A 8 114.407 -3.435 -2.968 1.00 0.00 N ATOM 108 CA PHE A 8 114.547 -4.879 -3.312 1.00 0.00 C ATOM 109 C PHE A 8 113.524 -5.234 -4.391 1.00 0.00 C ATOM 110 O PHE A 8 113.422 -6.364 -4.826 1.00 0.00 O ATOM 111 CB PHE A 8 114.286 -5.730 -2.067 1.00 0.00 C ATOM 112 CG PHE A 8 115.362 -5.477 -1.038 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.569 -6.185 -1.097 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.150 -4.539 -0.021 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.564 -5.952 -0.140 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.145 -4.307 0.937 1.00 0.00 C ATOM 117 CZ PHE A 8 117.352 -5.013 0.878 1.00 0.00 C ATOM 0 H PHE A 8 113.775 -3.231 -2.194 1.00 0.00 H new ATOM 0 HA PHE A 8 115.555 -5.074 -3.677 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.308 -5.490 -1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.268 -6.786 -2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.732 -6.910 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.219 -3.994 0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.496 -6.496 -0.187 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.981 -3.583 1.721 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.119 -4.834 1.617 1.00 0.00 H new ATOM 127 N THR A 9 112.745 -4.274 -4.804 1.00 0.00 N ATOM 128 CA THR A 9 111.700 -4.545 -5.833 1.00 0.00 C ATOM 129 C THR A 9 112.162 -4.060 -7.210 1.00 0.00 C ATOM 130 O THR A 9 111.588 -4.419 -8.220 1.00 0.00 O ATOM 131 CB THR A 9 110.417 -3.806 -5.443 1.00 0.00 C ATOM 132 OG1 THR A 9 110.042 -4.176 -4.123 1.00 0.00 O ATOM 133 CG2 THR A 9 109.295 -4.173 -6.416 1.00 0.00 C ATOM 0 H THR A 9 112.786 -3.310 -4.473 1.00 0.00 H new ATOM 0 HA THR A 9 111.520 -5.619 -5.883 1.00 0.00 H new ATOM 0 HB THR A 9 110.591 -2.731 -5.485 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.222 -3.703 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.383 -3.645 -6.136 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.583 -3.888 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.118 -5.248 -6.379 1.00 0.00 H new ATOM 141 N THR A 10 113.175 -3.240 -7.271 1.00 0.00 N ATOM 142 CA THR A 10 113.634 -2.741 -8.600 1.00 0.00 C ATOM 143 C THR A 10 115.075 -2.228 -8.507 1.00 0.00 C ATOM 144 O THR A 10 115.408 -1.431 -7.652 1.00 0.00 O ATOM 145 CB THR A 10 112.718 -1.599 -9.048 1.00 0.00 C ATOM 146 OG1 THR A 10 111.365 -1.957 -8.809 1.00 0.00 O ATOM 147 CG2 THR A 10 112.921 -1.330 -10.539 1.00 0.00 C ATOM 0 H THR A 10 113.701 -2.896 -6.467 1.00 0.00 H new ATOM 0 HA THR A 10 113.596 -3.558 -9.321 1.00 0.00 H new ATOM 0 HB THR A 10 112.961 -0.698 -8.484 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.252 -2.921 -8.947 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.267 -0.517 -10.854 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.959 -1.052 -10.721 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.681 -2.229 -11.107 1.00 0.00 H new ATOM 155 N SER A 11 115.926 -2.679 -9.388 1.00 0.00 N ATOM 156 CA SER A 11 117.342 -2.207 -9.354 1.00 0.00 C ATOM 157 C SER A 11 117.387 -0.747 -9.805 1.00 0.00 C ATOM 158 O SER A 11 118.303 -0.016 -9.487 1.00 0.00 O ATOM 159 CB SER A 11 118.190 -3.061 -10.296 1.00 0.00 C ATOM 160 OG SER A 11 117.672 -2.964 -11.615 1.00 0.00 O ATOM 0 H SER A 11 115.706 -3.349 -10.125 1.00 0.00 H new ATOM 0 HA SER A 11 117.737 -2.294 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 11 119.227 -2.725 -10.275 1.00 0.00 H new ATOM 0 HB3 SER A 11 118.185 -4.100 -9.967 1.00 0.00 H new ATOM 0 HG SER A 11 116.753 -2.625 -11.581 1.00 0.00 H new ATOM 166 N GLU A 12 116.394 -0.323 -10.541 1.00 0.00 N ATOM 167 CA GLU A 12 116.355 1.091 -11.018 1.00 0.00 C ATOM 168 C GLU A 12 115.170 1.797 -10.360 1.00 0.00 C ATOM 169 O GLU A 12 114.156 2.043 -10.983 1.00 0.00 O ATOM 170 CB GLU A 12 116.182 1.112 -12.537 1.00 0.00 C ATOM 171 CG GLU A 12 117.402 0.475 -13.206 1.00 0.00 C ATOM 172 CD GLU A 12 117.228 -1.045 -13.247 1.00 0.00 C ATOM 173 OE1 GLU A 12 116.252 -1.524 -12.693 1.00 0.00 O ATOM 174 OE2 GLU A 12 118.068 -1.703 -13.837 1.00 0.00 O ATOM 0 H GLU A 12 115.604 -0.898 -10.834 1.00 0.00 H new ATOM 0 HA GLU A 12 117.283 1.599 -10.756 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.278 0.571 -12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 12 116.060 2.138 -12.884 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.521 0.865 -14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 12 118.307 0.733 -12.656 1.00 0.00 H new ATOM 181 N SER A 13 115.285 2.110 -9.102 1.00 0.00 N ATOM 182 CA SER A 13 114.157 2.783 -8.397 1.00 0.00 C ATOM 183 C SER A 13 114.007 4.222 -8.892 1.00 0.00 C ATOM 184 O SER A 13 114.959 4.861 -9.292 1.00 0.00 O ATOM 185 CB SER A 13 114.429 2.796 -6.894 1.00 0.00 C ATOM 186 OG SER A 13 114.853 1.503 -6.483 1.00 0.00 O ATOM 0 H SER A 13 116.110 1.930 -8.530 1.00 0.00 H new ATOM 0 HA SER A 13 113.237 2.235 -8.603 1.00 0.00 H new ATOM 0 HB2 SER A 13 115.195 3.535 -6.658 1.00 0.00 H new ATOM 0 HB3 SER A 13 113.529 3.086 -6.352 1.00 0.00 H new ATOM 0 HG SER A 13 114.124 0.862 -6.616 1.00 0.00 H new ATOM 192 N THR A 14 112.811 4.738 -8.843 1.00 0.00 N ATOM 193 CA THR A 14 112.579 6.143 -9.283 1.00 0.00 C ATOM 194 C THR A 14 112.486 7.029 -8.042 1.00 0.00 C ATOM 195 O THR A 14 112.320 8.230 -8.131 1.00 0.00 O ATOM 196 CB THR A 14 111.271 6.225 -10.069 1.00 0.00 C ATOM 197 OG1 THR A 14 110.803 7.568 -10.070 1.00 0.00 O ATOM 198 CG2 THR A 14 110.223 5.320 -9.417 1.00 0.00 C ATOM 0 H THR A 14 111.980 4.245 -8.516 1.00 0.00 H new ATOM 0 HA THR A 14 113.398 6.475 -9.921 1.00 0.00 H new ATOM 0 HB THR A 14 111.443 5.898 -11.095 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.453 8.141 -9.613 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.291 5.380 -9.979 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.581 4.290 -9.416 1.00 0.00 H new ATOM 0 HG23 THR A 14 110.050 5.645 -8.391 1.00 0.00 H new ATOM 206 N ILE A 15 112.603 6.438 -6.883 1.00 0.00 N ATOM 207 CA ILE A 15 112.532 7.225 -5.619 1.00 0.00 C ATOM 208 C ILE A 15 113.769 6.960 -4.757 1.00 0.00 C ATOM 209 O ILE A 15 114.113 7.752 -3.903 1.00 0.00 O ATOM 210 CB ILE A 15 111.269 6.834 -4.852 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.148 5.310 -4.817 1.00 0.00 C ATOM 212 CG2 ILE A 15 110.043 7.425 -5.552 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.101 4.904 -3.779 1.00 0.00 C ATOM 0 H ILE A 15 112.746 5.436 -6.758 1.00 0.00 H new ATOM 0 HA ILE A 15 112.499 8.288 -5.860 1.00 0.00 H new ATOM 0 HB ILE A 15 111.328 7.220 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.865 4.935 -5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.112 4.864 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.142 7.146 -5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.129 8.511 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.984 7.039 -6.570 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.015 3.818 -3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.403 5.266 -2.796 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.137 5.338 -4.045 1.00 0.00 H new ATOM 225 N PHE A 16 114.428 5.841 -4.954 1.00 0.00 N ATOM 226 CA PHE A 16 115.630 5.524 -4.120 1.00 0.00 C ATOM 227 C PHE A 16 116.891 5.561 -4.984 1.00 0.00 C ATOM 228 O PHE A 16 116.887 5.158 -6.130 1.00 0.00 O ATOM 229 CB PHE A 16 115.480 4.131 -3.502 1.00 0.00 C ATOM 230 CG PHE A 16 114.400 4.156 -2.445 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.624 4.807 -1.225 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.170 3.533 -2.687 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.621 4.832 -0.249 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.168 3.559 -1.712 1.00 0.00 C ATOM 235 CZ PHE A 16 112.393 4.207 -0.492 1.00 0.00 C ATOM 0 H PHE A 16 114.186 5.138 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 16 115.714 6.267 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.229 3.405 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.426 3.814 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.572 5.290 -1.037 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.995 3.032 -3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 16 113.795 5.334 0.691 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.219 3.078 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.619 4.225 0.261 1.00 0.00 H new ATOM 245 N SER A 17 117.968 6.057 -4.439 1.00 0.00 N ATOM 246 CA SER A 17 119.241 6.139 -5.213 1.00 0.00 C ATOM 247 C SER A 17 119.900 4.763 -5.330 1.00 0.00 C ATOM 248 O SER A 17 120.713 4.542 -6.204 1.00 0.00 O ATOM 249 CB SER A 17 120.201 7.094 -4.504 1.00 0.00 C ATOM 250 OG SER A 17 120.437 6.621 -3.185 1.00 0.00 O ATOM 0 H SER A 17 118.022 6.412 -3.484 1.00 0.00 H new ATOM 0 HA SER A 17 119.014 6.503 -6.215 1.00 0.00 H new ATOM 0 HB2 SER A 17 121.140 7.160 -5.054 1.00 0.00 H new ATOM 0 HB3 SER A 17 119.778 8.098 -4.473 1.00 0.00 H new ATOM 0 HG SER A 17 121.265 7.015 -2.839 1.00 0.00 H new ATOM 256 N LYS A 18 119.573 3.840 -4.460 1.00 0.00 N ATOM 257 CA LYS A 18 120.218 2.488 -4.537 1.00 0.00 C ATOM 258 C LYS A 18 119.165 1.407 -4.783 1.00 0.00 C ATOM 259 O LYS A 18 118.181 1.300 -4.075 1.00 0.00 O ATOM 260 CB LYS A 18 120.938 2.204 -3.219 1.00 0.00 C ATOM 261 CG LYS A 18 121.935 3.328 -2.917 1.00 0.00 C ATOM 262 CD LYS A 18 123.051 3.322 -3.964 1.00 0.00 C ATOM 263 CE LYS A 18 124.239 4.133 -3.450 1.00 0.00 C ATOM 264 NZ LYS A 18 125.334 4.097 -4.459 1.00 0.00 N ATOM 0 H LYS A 18 118.895 3.959 -3.707 1.00 0.00 H new ATOM 0 HA LYS A 18 120.929 2.479 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.213 2.121 -2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.460 1.249 -3.278 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.424 4.291 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.357 3.195 -1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.360 2.298 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.687 3.744 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 18 123.936 5.163 -3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.589 3.725 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 126.144 4.649 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.628 3.112 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 124.995 4.505 -5.354 1.00 0.00 H new ATOM 278 N GLY A 19 119.378 0.593 -5.782 1.00 0.00 N ATOM 279 CA GLY A 19 118.403 -0.495 -6.085 1.00 0.00 C ATOM 280 C GLY A 19 119.153 -1.816 -6.275 1.00 0.00 C ATOM 281 O GLY A 19 120.310 -1.834 -6.643 1.00 0.00 O ATOM 0 H GLY A 19 120.187 0.635 -6.402 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.682 -0.588 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.839 -0.252 -6.986 1.00 0.00 H new ATOM 285 N TYR A 20 118.498 -2.920 -6.028 1.00 0.00 N ATOM 286 CA TYR A 20 119.162 -4.249 -6.192 1.00 0.00 C ATOM 287 C TYR A 20 118.429 -5.059 -7.263 1.00 0.00 C ATOM 288 O TYR A 20 117.224 -4.990 -7.392 1.00 0.00 O ATOM 289 CB TYR A 20 119.113 -5.008 -4.866 1.00 0.00 C ATOM 290 CG TYR A 20 120.202 -4.504 -3.949 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.129 -3.212 -3.419 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.278 -5.337 -3.618 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.135 -2.750 -2.562 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.283 -4.875 -2.762 1.00 0.00 C ATOM 295 CZ TYR A 20 122.213 -3.582 -2.232 1.00 0.00 C ATOM 296 OH TYR A 20 123.202 -3.127 -1.385 1.00 0.00 O ATOM 0 H TYR A 20 117.527 -2.959 -5.718 1.00 0.00 H new ATOM 0 HA TYR A 20 120.199 -4.100 -6.493 1.00 0.00 H new ATOM 0 HB2 TYR A 20 118.139 -4.875 -4.396 1.00 0.00 H new ATOM 0 HB3 TYR A 20 119.239 -6.076 -5.043 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.297 -2.571 -3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.332 -6.336 -4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.080 -1.751 -2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.114 -5.517 -2.510 1.00 0.00 H new ATOM 0 HH TYR A 20 123.874 -3.829 -1.260 1.00 0.00 H new ATOM 527 N ILE A 36 121.048 -10.542 2.565 1.00 0.00 N ATOM 528 CA ILE A 36 121.380 -9.355 1.722 1.00 0.00 C ATOM 529 C ILE A 36 121.355 -8.111 2.601 1.00 0.00 C ATOM 530 O ILE A 36 120.378 -7.837 3.260 1.00 0.00 O ATOM 531 CB ILE A 36 120.350 -9.211 0.602 1.00 0.00 C ATOM 532 CG1 ILE A 36 120.257 -10.524 -0.181 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.778 -8.083 -0.340 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.651 -10.946 -0.652 1.00 0.00 C ATOM 0 HA ILE A 36 122.368 -9.480 1.279 1.00 0.00 H new ATOM 0 HB ILE A 36 119.376 -8.977 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.824 -11.303 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.595 -10.401 -1.038 1.00 0.00 H new ATOM 0 HG21 ILE A 36 120.045 -7.979 -1.140 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.843 -7.148 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.752 -8.317 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.580 -11.881 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 36 122.068 -10.171 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 36 122.300 -11.087 0.212 1.00 0.00 H new ATOM 546 N VAL A 37 122.427 -7.362 2.630 1.00 0.00 N ATOM 547 CA VAL A 37 122.461 -6.141 3.488 1.00 0.00 C ATOM 548 C VAL A 37 122.695 -4.898 2.631 1.00 0.00 C ATOM 549 O VAL A 37 123.615 -4.840 1.840 1.00 0.00 O ATOM 550 CB VAL A 37 123.595 -6.265 4.504 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.812 -4.914 5.190 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.225 -7.315 5.554 1.00 0.00 C ATOM 0 H VAL A 37 123.278 -7.543 2.098 1.00 0.00 H new ATOM 0 HA VAL A 37 121.505 -6.047 4.003 1.00 0.00 H new ATOM 0 HB VAL A 37 124.510 -6.567 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.621 -5.000 5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.073 -4.164 4.443 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.897 -4.614 5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 37 124.033 -7.405 6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.311 -7.012 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.067 -8.277 5.067 1.00 0.00 H new ATOM 562 N CYS A 38 121.883 -3.891 2.804 1.00 0.00 N ATOM 563 CA CYS A 38 122.081 -2.638 2.026 1.00 0.00 C ATOM 564 C CYS A 38 122.734 -1.605 2.943 1.00 0.00 C ATOM 565 O CYS A 38 122.083 -0.999 3.771 1.00 0.00 O ATOM 566 CB CYS A 38 120.729 -2.103 1.553 1.00 0.00 C ATOM 567 SG CYS A 38 119.928 -3.319 0.475 1.00 0.00 S ATOM 0 H CYS A 38 121.093 -3.883 3.449 1.00 0.00 H new ATOM 0 HA CYS A 38 122.710 -2.834 1.158 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.092 -1.890 2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.867 -1.164 1.017 1.00 0.00 H new ATOM 572 N THR A 39 124.016 -1.398 2.808 1.00 0.00 N ATOM 573 CA THR A 39 124.701 -0.410 3.686 1.00 0.00 C ATOM 574 C THR A 39 124.785 0.939 2.980 1.00 0.00 C ATOM 575 O THR A 39 125.370 1.066 1.923 1.00 0.00 O ATOM 576 CB THR A 39 126.114 -0.908 4.006 1.00 0.00 C ATOM 577 OG1 THR A 39 126.034 -2.123 4.739 1.00 0.00 O ATOM 578 CG2 THR A 39 126.852 0.143 4.838 1.00 0.00 C ATOM 0 H THR A 39 124.616 -1.869 2.130 1.00 0.00 H new ATOM 0 HA THR A 39 124.134 -0.296 4.610 1.00 0.00 H new ATOM 0 HB THR A 39 126.656 -1.080 3.076 1.00 0.00 H new ATOM 0 HG1 THR A 39 126.938 -2.443 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.857 -0.213 5.065 1.00 0.00 H new ATOM 0 HG22 THR A 39 126.915 1.074 4.275 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.310 0.317 5.768 1.00 0.00 H new ATOM 586 N VAL A 40 124.212 1.954 3.568 1.00 0.00 N ATOM 587 CA VAL A 40 124.266 3.308 2.943 1.00 0.00 C ATOM 588 C VAL A 40 124.477 4.357 4.036 1.00 0.00 C ATOM 589 O VAL A 40 124.169 4.132 5.188 1.00 0.00 O ATOM 590 CB VAL A 40 122.955 3.589 2.204 1.00 0.00 C ATOM 591 CG1 VAL A 40 122.823 2.634 1.015 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.778 3.376 3.157 1.00 0.00 C ATOM 0 H VAL A 40 123.709 1.905 4.454 1.00 0.00 H new ATOM 0 HA VAL A 40 125.091 3.350 2.232 1.00 0.00 H new ATOM 0 HB VAL A 40 122.954 4.619 1.846 1.00 0.00 H new ATOM 0 HG11 VAL A 40 121.889 2.834 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.662 2.782 0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 40 122.824 1.605 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 40 120.844 3.576 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.781 2.346 3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 40 121.869 4.054 4.005 1.00 0.00 H new ATOM 602 N LYS A 41 124.989 5.505 3.687 1.00 0.00 N ATOM 603 CA LYS A 41 125.205 6.563 4.715 1.00 0.00 C ATOM 604 C LYS A 41 124.067 7.582 4.642 1.00 0.00 C ATOM 605 O LYS A 41 123.689 8.033 3.579 1.00 0.00 O ATOM 606 CB LYS A 41 126.538 7.263 4.453 1.00 0.00 C ATOM 607 CG LYS A 41 127.685 6.278 4.690 1.00 0.00 C ATOM 608 CD LYS A 41 129.019 6.969 4.405 1.00 0.00 C ATOM 609 CE LYS A 41 130.165 5.985 4.640 1.00 0.00 C ATOM 610 NZ LYS A 41 131.465 6.663 4.371 1.00 0.00 N ATOM 0 H LYS A 41 125.266 5.756 2.738 1.00 0.00 H new ATOM 0 HA LYS A 41 125.223 6.110 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.570 7.636 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.643 8.126 5.110 1.00 0.00 H new ATOM 0 HG2 LYS A 41 127.662 5.918 5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.569 5.407 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 41 129.041 7.330 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 41 129.135 7.839 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 41 130.139 5.619 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 41 130.053 5.118 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 132.245 5.994 4.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 131.487 6.992 3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 131.571 7.477 5.010 1.00 0.00 H new ATOM 624 N ALA A 42 123.516 7.947 5.767 1.00 0.00 N ATOM 625 CA ALA A 42 122.399 8.935 5.765 1.00 0.00 C ATOM 626 C ALA A 42 122.943 10.322 6.110 1.00 0.00 C ATOM 627 O ALA A 42 124.016 10.457 6.663 1.00 0.00 O ATOM 628 CB ALA A 42 121.354 8.522 6.802 1.00 0.00 C ATOM 0 H ALA A 42 123.791 7.604 6.688 1.00 0.00 H new ATOM 0 HA ALA A 42 121.939 8.963 4.777 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.537 9.243 6.802 1.00 0.00 H new ATOM 0 HB2 ALA A 42 120.966 7.534 6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 42 121.813 8.494 7.790 1.00 0.00 H new ATOM 634 N HIS A 43 122.211 11.357 5.785 1.00 0.00 N ATOM 635 CA HIS A 43 122.692 12.736 6.091 1.00 0.00 C ATOM 636 C HIS A 43 121.548 13.552 6.702 1.00 0.00 C ATOM 637 O HIS A 43 120.387 13.299 6.453 1.00 0.00 O ATOM 638 CB HIS A 43 123.165 13.407 4.799 1.00 0.00 C ATOM 639 CG HIS A 43 124.102 14.534 5.133 1.00 0.00 C ATOM 640 ND1 HIS A 43 125.434 14.316 5.457 1.00 0.00 N ATOM 641 CD2 HIS A 43 123.917 15.894 5.200 1.00 0.00 C ATOM 642 CE1 HIS A 43 125.994 15.515 5.700 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.113 16.506 5.557 1.00 0.00 N ATOM 0 H HIS A 43 121.303 11.306 5.322 1.00 0.00 H new ATOM 0 HA HIS A 43 123.519 12.685 6.799 1.00 0.00 H new ATOM 0 HB2 HIS A 43 123.667 12.679 4.162 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.310 13.785 4.239 1.00 0.00 H new ATOM 0 HD2 HIS A 43 122.987 16.408 5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 43 127.028 15.657 5.976 1.00 0.00 H new ATOM 0 HE2 HIS A 43 125.282 17.504 5.683 1.00 0.00 H new ATOM 652 N ALA A 44 121.873 14.523 7.510 1.00 0.00 N ATOM 653 CA ALA A 44 120.812 15.353 8.152 1.00 0.00 C ATOM 654 C ALA A 44 119.884 15.929 7.080 1.00 0.00 C ATOM 655 O ALA A 44 118.728 16.208 7.332 1.00 0.00 O ATOM 656 CB ALA A 44 121.472 16.499 8.930 1.00 0.00 C ATOM 0 H ALA A 44 122.830 14.779 7.755 1.00 0.00 H new ATOM 0 HA ALA A 44 120.228 14.734 8.833 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.702 17.109 9.402 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.129 16.088 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.055 17.115 8.245 1.00 0.00 H new ATOM 662 N ASN A 45 120.381 16.121 5.891 1.00 0.00 N ATOM 663 CA ASN A 45 119.525 16.686 4.810 1.00 0.00 C ATOM 664 C ASN A 45 119.012 15.556 3.917 1.00 0.00 C ATOM 665 O ASN A 45 117.989 15.676 3.272 1.00 0.00 O ATOM 666 CB ASN A 45 120.350 17.661 3.967 1.00 0.00 C ATOM 667 CG ASN A 45 120.651 18.920 4.784 1.00 0.00 C ATOM 668 OD1 ASN A 45 119.997 19.188 5.772 1.00 0.00 O ATOM 669 ND2 ASN A 45 121.621 19.709 4.409 1.00 0.00 N ATOM 0 H ASN A 45 121.342 15.912 5.620 1.00 0.00 H new ATOM 0 HA ASN A 45 118.679 17.209 5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 45 121.281 17.188 3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 45 119.805 17.925 3.061 1.00 0.00 H new ATOM 0 HD21 ASN A 45 121.830 20.551 4.946 1.00 0.00 H new ATOM 0 HD22 ASN A 45 122.170 19.484 3.579 1.00 0.00 H new ATOM 676 N ASP A 46 119.725 14.464 3.863 1.00 0.00 N ATOM 677 CA ASP A 46 119.292 13.332 2.996 1.00 0.00 C ATOM 678 C ASP A 46 118.114 12.598 3.640 1.00 0.00 C ATOM 679 O ASP A 46 118.139 12.274 4.810 1.00 0.00 O ATOM 680 CB ASP A 46 120.458 12.355 2.826 1.00 0.00 C ATOM 681 CG ASP A 46 121.543 12.993 1.957 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.259 13.999 1.329 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.642 12.463 1.934 1.00 0.00 O ATOM 0 H ASP A 46 120.589 14.307 4.382 1.00 0.00 H new ATOM 0 HA ASP A 46 118.985 13.722 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 46 120.868 12.090 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.107 11.431 2.366 1.00 0.00 H new ATOM 688 N LEU A 47 117.089 12.317 2.880 1.00 0.00 N ATOM 689 CA LEU A 47 115.922 11.586 3.449 1.00 0.00 C ATOM 690 C LEU A 47 116.287 10.106 3.547 1.00 0.00 C ATOM 691 O LEU A 47 117.046 9.599 2.739 1.00 0.00 O ATOM 692 CB LEU A 47 114.710 11.748 2.528 1.00 0.00 C ATOM 693 CG LEU A 47 114.459 13.232 2.255 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.349 13.373 1.212 1.00 0.00 C ATOM 695 CD2 LEU A 47 114.031 13.930 3.547 1.00 0.00 C ATOM 0 H LEU A 47 117.010 12.562 1.893 1.00 0.00 H new ATOM 0 HA LEU A 47 115.675 11.985 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 47 114.882 11.221 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 47 113.830 11.300 2.989 1.00 0.00 H new ATOM 0 HG LEU A 47 115.375 13.691 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.167 14.429 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.652 12.878 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.436 12.912 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.853 14.987 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.115 13.472 3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 47 114.819 13.829 4.293 1.00 0.00 H new ATOM 707 N ILE A 48 115.760 9.402 4.522 1.00 0.00 N ATOM 708 CA ILE A 48 116.093 7.952 4.658 1.00 0.00 C ATOM 709 C ILE A 48 114.816 7.110 4.576 1.00 0.00 C ATOM 710 O ILE A 48 113.770 7.488 5.068 1.00 0.00 O ATOM 711 CB ILE A 48 116.766 7.713 6.012 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.924 8.348 7.123 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.158 8.344 6.009 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.320 7.744 8.472 1.00 0.00 C ATOM 0 H ILE A 48 115.118 9.769 5.224 1.00 0.00 H new ATOM 0 HA ILE A 48 116.766 7.663 3.851 1.00 0.00 H new ATOM 0 HB ILE A 48 116.852 6.641 6.188 1.00 0.00 H new ATOM 0 HG12 ILE A 48 116.076 9.427 7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.864 8.178 6.933 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.637 8.174 6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.760 7.893 5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 48 118.071 9.416 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.721 8.196 9.263 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.146 6.668 8.454 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.376 7.937 8.661 1.00 0.00 H new ATOM 726 N GLY A 49 114.903 5.966 3.954 1.00 0.00 N ATOM 727 CA GLY A 49 113.703 5.086 3.831 1.00 0.00 C ATOM 728 C GLY A 49 114.060 3.856 2.994 1.00 0.00 C ATOM 729 O GLY A 49 115.205 3.641 2.654 1.00 0.00 O ATOM 0 H GLY A 49 115.753 5.601 3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.360 4.780 4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.884 5.632 3.364 1.00 0.00 H new ATOM 733 N PHE A 50 113.092 3.046 2.657 1.00 0.00 N ATOM 734 CA PHE A 50 113.392 1.836 1.836 1.00 0.00 C ATOM 735 C PHE A 50 112.086 1.190 1.369 1.00 0.00 C ATOM 736 O PHE A 50 111.011 1.552 1.809 1.00 0.00 O ATOM 737 CB PHE A 50 114.194 0.831 2.664 1.00 0.00 C ATOM 738 CG PHE A 50 113.344 0.308 3.795 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.334 0.968 5.028 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.568 -0.843 3.609 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.547 0.478 6.077 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.782 -1.333 4.657 1.00 0.00 C ATOM 743 CZ PHE A 50 111.771 -0.672 5.891 1.00 0.00 C ATOM 0 H PHE A 50 112.112 3.168 2.913 1.00 0.00 H new ATOM 0 HA PHE A 50 113.978 2.133 0.967 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.523 0.006 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.091 1.306 3.061 1.00 0.00 H new ATOM 0 HD1 PHE A 50 113.933 1.855 5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.577 -1.352 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.539 0.987 7.029 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.184 -2.221 4.514 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.163 -1.050 6.700 1.00 0.00 H new ATOM 753 N LYS A 51 112.169 0.235 0.478 1.00 0.00 N ATOM 754 CA LYS A 51 110.929 -0.433 -0.016 1.00 0.00 C ATOM 755 C LYS A 51 111.212 -1.911 -0.285 1.00 0.00 C ATOM 756 O LYS A 51 112.277 -2.279 -0.752 1.00 0.00 O ATOM 757 CB LYS A 51 110.469 0.247 -1.304 1.00 0.00 C ATOM 758 CG LYS A 51 109.256 -0.490 -1.880 1.00 0.00 C ATOM 759 CD LYS A 51 108.801 0.196 -3.170 1.00 0.00 C ATOM 760 CE LYS A 51 107.978 1.441 -2.832 1.00 0.00 C ATOM 761 NZ LYS A 51 107.332 1.960 -4.070 1.00 0.00 N ATOM 0 H LYS A 51 113.039 -0.110 0.073 1.00 0.00 H new ATOM 0 HA LYS A 51 110.146 -0.352 0.738 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.212 1.287 -1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.281 0.253 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.512 -1.530 -2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.443 -0.496 -1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 51 109.667 0.473 -3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 51 108.206 -0.493 -3.769 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.220 1.198 -2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 51 108.619 2.207 -2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 106.772 2.806 -3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.064 2.207 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 106.708 1.230 -4.468 1.00 0.00 H new ATOM 775 N CYS A 52 110.257 -2.764 -0.007 1.00 0.00 N ATOM 776 CA CYS A 52 110.437 -4.221 -0.249 1.00 0.00 C ATOM 777 C CYS A 52 109.282 -4.710 -1.129 1.00 0.00 C ATOM 778 O CYS A 52 108.215 -4.130 -1.130 1.00 0.00 O ATOM 779 CB CYS A 52 110.407 -4.956 1.098 1.00 0.00 C ATOM 780 SG CYS A 52 111.939 -4.628 2.006 1.00 0.00 S ATOM 0 H CYS A 52 109.350 -2.505 0.382 1.00 0.00 H new ATOM 0 HA CYS A 52 111.388 -4.414 -0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.548 -4.627 1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.291 -6.028 0.936 1.00 0.00 H new ATOM 785 N PRO A 53 109.481 -5.769 -1.873 1.00 0.00 N ATOM 786 CA PRO A 53 108.421 -6.326 -2.764 1.00 0.00 C ATOM 787 C PRO A 53 107.102 -6.553 -2.015 1.00 0.00 C ATOM 788 O PRO A 53 107.083 -6.922 -0.857 1.00 0.00 O ATOM 789 CB PRO A 53 109.008 -7.660 -3.267 1.00 0.00 C ATOM 790 CG PRO A 53 110.231 -7.910 -2.441 1.00 0.00 C ATOM 791 CD PRO A 53 110.720 -6.549 -1.961 1.00 0.00 C ATOM 0 HA PRO A 53 108.174 -5.642 -3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.288 -8.471 -3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.258 -7.602 -4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.001 -8.559 -1.596 1.00 0.00 H new ATOM 0 HG3 PRO A 53 110.999 -8.412 -3.029 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.224 -6.618 -0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.429 -6.105 -2.660 1.00 0.00 H new ATOM 799 N SER A 54 106.001 -6.317 -2.670 1.00 0.00 N ATOM 800 CA SER A 54 104.673 -6.496 -2.012 1.00 0.00 C ATOM 801 C SER A 54 104.416 -7.977 -1.710 1.00 0.00 C ATOM 802 O SER A 54 103.501 -8.317 -0.987 1.00 0.00 O ATOM 803 CB SER A 54 103.575 -5.974 -2.937 1.00 0.00 C ATOM 804 OG SER A 54 102.320 -6.064 -2.276 1.00 0.00 O ATOM 0 H SER A 54 105.961 -6.005 -3.640 1.00 0.00 H new ATOM 0 HA SER A 54 104.669 -5.939 -1.075 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.779 -4.940 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 54 103.555 -6.554 -3.860 1.00 0.00 H new ATOM 0 HG SER A 54 102.334 -6.816 -1.648 1.00 0.00 H new ATOM 810 N ASN A 55 105.198 -8.862 -2.263 1.00 0.00 N ATOM 811 CA ASN A 55 104.968 -10.313 -2.009 1.00 0.00 C ATOM 812 C ASN A 55 105.749 -10.763 -0.774 1.00 0.00 C ATOM 813 O ASN A 55 105.743 -11.921 -0.421 1.00 0.00 O ATOM 814 CB ASN A 55 105.443 -11.119 -3.219 1.00 0.00 C ATOM 815 CG ASN A 55 104.630 -10.721 -4.452 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.417 -10.775 -4.438 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.254 -10.316 -5.524 1.00 0.00 N ATOM 0 H ASN A 55 105.983 -8.646 -2.877 1.00 0.00 H new ATOM 0 HA ASN A 55 103.904 -10.479 -1.841 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.503 -10.938 -3.396 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.330 -12.186 -3.025 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.723 -10.044 -6.351 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.273 -10.271 -5.535 1.00 0.00 H new ATOM 824 N TYR A 56 106.413 -9.859 -0.110 1.00 0.00 N ATOM 825 CA TYR A 56 107.195 -10.233 1.109 1.00 0.00 C ATOM 826 C TYR A 56 106.573 -9.597 2.356 1.00 0.00 C ATOM 827 O TYR A 56 105.728 -8.726 2.266 1.00 0.00 O ATOM 828 CB TYR A 56 108.636 -9.757 0.950 1.00 0.00 C ATOM 829 CG TYR A 56 109.399 -10.743 0.096 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.107 -10.863 -1.269 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.403 -11.530 0.668 1.00 0.00 C ATOM 832 CE1 TYR A 56 109.821 -11.773 -2.059 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.116 -12.441 -0.121 1.00 0.00 C ATOM 834 CZ TYR A 56 110.824 -12.562 -1.485 1.00 0.00 C ATOM 835 OH TYR A 56 111.528 -13.458 -2.263 1.00 0.00 O ATOM 0 H TYR A 56 106.450 -8.870 -0.358 1.00 0.00 H new ATOM 0 HA TYR A 56 107.178 -11.317 1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.656 -8.769 0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.109 -9.663 1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.332 -10.255 -1.712 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.629 -11.435 1.720 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.597 -11.866 -3.112 1.00 0.00 H new ATOM 0 HE2 TYR A 56 111.890 -13.050 0.322 1.00 0.00 H new ATOM 0 HH TYR A 56 112.188 -13.924 -1.709 1.00 0.00 H new ATOM 845 N SER A 57 106.990 -10.024 3.523 1.00 0.00 N ATOM 846 CA SER A 57 106.430 -9.440 4.777 1.00 0.00 C ATOM 847 C SER A 57 107.452 -8.469 5.371 1.00 0.00 C ATOM 848 O SER A 57 108.638 -8.734 5.381 1.00 0.00 O ATOM 849 CB SER A 57 106.145 -10.557 5.779 1.00 0.00 C ATOM 850 OG SER A 57 105.627 -9.993 6.976 1.00 0.00 O ATOM 0 H SER A 57 107.693 -10.751 3.659 1.00 0.00 H new ATOM 0 HA SER A 57 105.502 -8.912 4.556 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.431 -11.265 5.358 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.058 -11.113 5.991 1.00 0.00 H new ATOM 0 HG SER A 57 105.441 -10.707 7.621 1.00 0.00 H new ATOM 856 N VAL A 58 107.011 -7.339 5.857 1.00 0.00 N ATOM 857 CA VAL A 58 107.975 -6.358 6.431 1.00 0.00 C ATOM 858 C VAL A 58 108.038 -6.501 7.957 1.00 0.00 C ATOM 859 O VAL A 58 107.071 -6.287 8.663 1.00 0.00 O ATOM 860 CB VAL A 58 107.543 -4.933 6.062 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.078 -4.902 4.606 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.394 -4.482 6.969 1.00 0.00 C ATOM 0 H VAL A 58 106.032 -7.055 5.881 1.00 0.00 H new ATOM 0 HA VAL A 58 108.965 -6.556 6.019 1.00 0.00 H new ATOM 0 HB VAL A 58 108.390 -4.260 6.193 1.00 0.00 H new ATOM 0 HG11 VAL A 58 106.771 -3.890 4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 58 107.896 -5.213 3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.235 -5.581 4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.094 -3.469 6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.547 -5.156 6.845 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.723 -4.499 8.008 1.00 0.00 H new ATOM 872 N GLU A 59 109.188 -6.840 8.465 1.00 0.00 N ATOM 873 CA GLU A 59 109.362 -6.976 9.937 1.00 0.00 C ATOM 874 C GLU A 59 110.555 -6.111 10.357 1.00 0.00 C ATOM 875 O GLU A 59 111.613 -6.200 9.768 1.00 0.00 O ATOM 876 CB GLU A 59 109.652 -8.435 10.301 1.00 0.00 C ATOM 877 CG GLU A 59 108.346 -9.228 10.382 1.00 0.00 C ATOM 878 CD GLU A 59 107.472 -8.669 11.508 1.00 0.00 C ATOM 879 OE1 GLU A 59 108.030 -8.159 12.464 1.00 0.00 O ATOM 880 OE2 GLU A 59 106.261 -8.757 11.390 1.00 0.00 O ATOM 0 H GLU A 59 110.026 -7.031 7.916 1.00 0.00 H new ATOM 0 HA GLU A 59 108.452 -6.659 10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.311 -8.880 9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.175 -8.482 11.256 1.00 0.00 H new ATOM 0 HG2 GLU A 59 107.814 -9.169 9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 59 108.560 -10.281 10.563 1.00 0.00 H new ATOM 887 N PRO A 60 110.404 -5.274 11.352 1.00 0.00 N ATOM 888 CA PRO A 60 111.514 -4.395 11.807 1.00 0.00 C ATOM 889 C PRO A 60 112.527 -5.151 12.660 1.00 0.00 C ATOM 890 O PRO A 60 112.224 -5.575 13.746 1.00 0.00 O ATOM 891 CB PRO A 60 110.800 -3.336 12.647 1.00 0.00 C ATOM 892 CG PRO A 60 109.594 -4.023 13.192 1.00 0.00 C ATOM 893 CD PRO A 60 109.181 -5.063 12.150 1.00 0.00 C ATOM 0 HA PRO A 60 112.084 -3.986 10.973 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.441 -2.970 13.449 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.523 -2.473 12.041 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.816 -4.498 14.148 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.788 -3.311 13.370 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.847 -5.988 12.620 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.358 -4.704 11.532 1.00 0.00 H new ATOM 901 N HIS A 61 113.731 -5.298 12.188 1.00 0.00 N ATOM 902 CA HIS A 61 114.767 -6.006 12.993 1.00 0.00 C ATOM 903 C HIS A 61 115.452 -4.982 13.897 1.00 0.00 C ATOM 904 O HIS A 61 115.994 -5.305 14.935 1.00 0.00 O ATOM 905 CB HIS A 61 115.792 -6.655 12.063 1.00 0.00 C ATOM 906 CG HIS A 61 116.536 -7.727 12.811 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.139 -7.490 14.038 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.783 -9.048 12.520 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.715 -8.640 14.437 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.526 -9.617 13.547 1.00 0.00 N ATOM 0 H HIS A 61 114.045 -4.959 11.279 1.00 0.00 H new ATOM 0 HA HIS A 61 114.307 -6.788 13.597 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.292 -7.083 11.194 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.489 -5.904 11.692 1.00 0.00 H new ATOM 0 HD1 HIS A 61 117.145 -6.605 14.546 1.00 0.00 H new ATOM 0 HD2 HIS A 61 116.451 -9.563 11.631 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.261 -8.757 15.361 1.00 0.00 H new ATOM 919 N ASP A 62 115.417 -3.741 13.498 1.00 0.00 N ATOM 920 CA ASP A 62 116.043 -2.661 14.308 1.00 0.00 C ATOM 921 C ASP A 62 115.684 -1.316 13.675 1.00 0.00 C ATOM 922 O ASP A 62 116.493 -0.416 13.603 1.00 0.00 O ATOM 923 CB ASP A 62 117.564 -2.839 14.324 1.00 0.00 C ATOM 924 CG ASP A 62 118.194 -1.772 15.220 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.466 -0.908 15.681 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.396 -1.834 15.428 1.00 0.00 O ATOM 0 H ASP A 62 114.975 -3.426 12.634 1.00 0.00 H new ATOM 0 HA ASP A 62 115.677 -2.702 15.334 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.820 -3.833 14.689 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.961 -2.759 13.312 1.00 0.00 H new ATOM 931 N CYS A 63 114.471 -1.186 13.201 1.00 0.00 N ATOM 932 CA CYS A 63 114.042 0.088 12.553 1.00 0.00 C ATOM 933 C CYS A 63 114.139 1.239 13.559 1.00 0.00 C ATOM 934 O CYS A 63 114.944 1.203 14.467 1.00 0.00 O ATOM 935 CB CYS A 63 112.601 -0.060 12.057 1.00 0.00 C ATOM 936 SG CYS A 63 112.527 -1.366 10.805 1.00 0.00 S ATOM 0 H CYS A 63 113.756 -1.913 13.236 1.00 0.00 H new ATOM 0 HA CYS A 63 114.693 0.307 11.707 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.941 -0.302 12.890 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.251 0.883 11.636 1.00 0.00 H new ATOM 941 N PHE A 64 113.343 2.270 13.396 1.00 0.00 N ATOM 942 CA PHE A 64 113.418 3.427 14.342 1.00 0.00 C ATOM 943 C PHE A 64 112.177 3.492 15.246 1.00 0.00 C ATOM 944 O PHE A 64 112.288 3.448 16.455 1.00 0.00 O ATOM 945 CB PHE A 64 113.557 4.730 13.550 1.00 0.00 C ATOM 946 CG PHE A 64 112.680 4.684 12.322 1.00 0.00 C ATOM 947 CD1 PHE A 64 113.131 4.040 11.163 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.421 5.290 12.342 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.319 4.003 10.023 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.608 5.253 11.203 1.00 0.00 C ATOM 951 CZ PHE A 64 111.057 4.609 10.043 1.00 0.00 C ATOM 0 H PHE A 64 112.649 2.359 12.654 1.00 0.00 H new ATOM 0 HA PHE A 64 114.291 3.290 14.981 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.276 5.577 14.176 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.597 4.879 13.259 1.00 0.00 H new ATOM 0 HD1 PHE A 64 114.104 3.572 11.149 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.075 5.787 13.236 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.666 3.507 9.128 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.635 5.721 11.219 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.430 4.580 9.164 1.00 0.00 H new ATOM 961 N VAL A 65 110.998 3.602 14.693 1.00 0.00 N ATOM 962 CA VAL A 65 109.792 3.681 15.574 1.00 0.00 C ATOM 963 C VAL A 65 109.887 2.592 16.644 1.00 0.00 C ATOM 964 O VAL A 65 110.197 2.860 17.790 1.00 0.00 O ATOM 965 CB VAL A 65 108.517 3.471 14.746 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.358 3.089 15.673 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.163 4.767 14.012 1.00 0.00 C ATOM 0 H VAL A 65 110.817 3.640 13.690 1.00 0.00 H new ATOM 0 HA VAL A 65 109.751 4.665 16.042 1.00 0.00 H new ATOM 0 HB VAL A 65 108.687 2.673 14.023 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.454 2.940 15.083 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.603 2.167 16.200 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.192 3.888 16.396 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.257 4.617 13.424 1.00 0.00 H new ATOM 0 HG22 VAL A 65 107.996 5.563 14.738 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.983 5.046 13.350 1.00 0.00 H new ATOM 977 N SER A 66 109.648 1.365 16.268 1.00 0.00 N ATOM 978 CA SER A 66 109.741 0.243 17.244 1.00 0.00 C ATOM 979 C SER A 66 110.485 -0.911 16.577 1.00 0.00 C ATOM 980 O SER A 66 110.193 -1.274 15.456 1.00 0.00 O ATOM 981 CB SER A 66 108.335 -0.212 17.646 1.00 0.00 C ATOM 982 OG SER A 66 108.435 -1.214 18.649 1.00 0.00 O ATOM 0 H SER A 66 109.391 1.090 15.320 1.00 0.00 H new ATOM 0 HA SER A 66 110.273 0.567 18.139 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.759 0.635 18.018 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.804 -0.602 16.778 1.00 0.00 H new ATOM 0 HG SER A 66 107.537 -1.507 18.910 1.00 0.00 H new ATOM 988 N ALA A 67 111.453 -1.482 17.239 1.00 0.00 N ATOM 989 CA ALA A 67 112.210 -2.597 16.603 1.00 0.00 C ATOM 990 C ALA A 67 113.171 -3.233 17.609 1.00 0.00 C ATOM 991 O ALA A 67 113.256 -2.836 18.755 1.00 0.00 O ATOM 992 CB ALA A 67 113.017 -2.040 15.428 1.00 0.00 C ATOM 0 H ALA A 67 111.750 -1.229 18.181 1.00 0.00 H new ATOM 0 HA ALA A 67 111.506 -3.354 16.259 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.575 -2.848 14.955 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.339 -1.593 14.701 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.712 -1.282 15.790 1.00 0.00 H new ATOM 998 N PHE A 68 113.897 -4.229 17.178 1.00 0.00 N ATOM 999 CA PHE A 68 114.859 -4.908 18.092 1.00 0.00 C ATOM 1000 C PHE A 68 116.234 -4.256 17.918 1.00 0.00 C ATOM 1001 O PHE A 68 116.725 -4.113 16.816 1.00 0.00 O ATOM 1002 CB PHE A 68 114.959 -6.394 17.731 1.00 0.00 C ATOM 1003 CG PHE A 68 113.579 -6.955 17.474 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.925 -6.661 16.276 1.00 0.00 C ATOM 1005 CD2 PHE A 68 112.961 -7.779 18.420 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.649 -7.189 16.021 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.687 -8.306 18.167 1.00 0.00 C ATOM 1008 CZ PHE A 68 111.032 -8.008 16.962 1.00 0.00 C ATOM 0 H PHE A 68 113.865 -4.602 16.229 1.00 0.00 H new ATOM 0 HA PHE A 68 114.519 -4.813 19.123 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.583 -6.521 16.847 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.439 -6.943 18.541 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.402 -6.026 15.544 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.466 -8.010 19.346 1.00 0.00 H new ATOM 0 HE1 PHE A 68 111.146 -6.959 15.093 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.210 -8.941 18.899 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.051 -8.414 16.765 1.00 0.00 H new ATOM 1018 N ASN A 69 116.856 -3.843 18.989 1.00 0.00 N ATOM 1019 CA ASN A 69 118.190 -3.186 18.865 1.00 0.00 C ATOM 1020 C ASN A 69 119.255 -4.232 18.535 1.00 0.00 C ATOM 1021 O ASN A 69 118.962 -5.396 18.352 1.00 0.00 O ATOM 1022 CB ASN A 69 118.546 -2.498 20.185 1.00 0.00 C ATOM 1023 CG ASN A 69 117.661 -1.265 20.375 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.082 -0.769 19.429 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.531 -0.746 21.564 1.00 0.00 N ATOM 0 H ASN A 69 116.501 -3.931 19.941 1.00 0.00 H new ATOM 0 HA ASN A 69 118.151 -2.446 18.065 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.407 -3.189 21.016 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.597 -2.208 20.184 1.00 0.00 H new ATOM 0 HD21 ASN A 69 116.943 0.076 21.700 1.00 0.00 H new ATOM 0 HD22 ASN A 69 118.017 -1.162 22.358 1.00 0.00 H new ATOM 1032 N LEU A 70 120.493 -3.827 18.462 1.00 0.00 N ATOM 1033 CA LEU A 70 121.580 -4.796 18.149 1.00 0.00 C ATOM 1034 C LEU A 70 121.663 -5.831 19.270 1.00 0.00 C ATOM 1035 O LEU A 70 122.181 -6.915 19.090 1.00 0.00 O ATOM 1036 CB LEU A 70 122.913 -4.048 18.032 1.00 0.00 C ATOM 1037 CG LEU A 70 122.908 -3.182 16.767 1.00 0.00 C ATOM 1038 CD1 LEU A 70 124.016 -2.131 16.864 1.00 0.00 C ATOM 1039 CD2 LEU A 70 123.161 -4.063 15.536 1.00 0.00 C ATOM 0 H LEU A 70 120.799 -2.865 18.606 1.00 0.00 H new ATOM 0 HA LEU A 70 121.369 -5.298 17.205 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.069 -3.424 18.912 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.738 -4.759 17.995 1.00 0.00 H new ATOM 0 HG LEU A 70 121.939 -2.691 16.673 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.013 -1.515 15.965 1.00 0.00 H new ATOM 0 HD12 LEU A 70 123.844 -1.501 17.736 1.00 0.00 H new ATOM 0 HD13 LEU A 70 124.981 -2.628 16.960 1.00 0.00 H new ATOM 0 HD21 LEU A 70 123.157 -3.444 14.639 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.129 -4.555 15.633 1.00 0.00 H new ATOM 0 HD23 LEU A 70 122.377 -4.817 15.461 1.00 0.00 H new ATOM 1051 N SER A 71 121.142 -5.509 20.422 1.00 0.00 N ATOM 1052 CA SER A 71 121.173 -6.476 21.553 1.00 0.00 C ATOM 1053 C SER A 71 119.990 -7.433 21.416 1.00 0.00 C ATOM 1054 O SER A 71 119.858 -8.390 22.153 1.00 0.00 O ATOM 1055 CB SER A 71 121.065 -5.720 22.877 1.00 0.00 C ATOM 1056 OG SER A 71 122.199 -4.876 23.030 1.00 0.00 O ATOM 0 H SER A 71 120.695 -4.615 20.628 1.00 0.00 H new ATOM 0 HA SER A 71 122.108 -7.035 21.535 1.00 0.00 H new ATOM 0 HB2 SER A 71 120.151 -5.127 22.897 1.00 0.00 H new ATOM 0 HB3 SER A 71 121.007 -6.424 23.707 1.00 0.00 H new ATOM 0 HG SER A 71 122.132 -4.388 23.877 1.00 0.00 H new ATOM 1062 N GLY A 72 119.125 -7.178 20.470 1.00 0.00 N ATOM 1063 CA GLY A 72 117.944 -8.062 20.272 1.00 0.00 C ATOM 1064 C GLY A 72 116.838 -7.664 21.251 1.00 0.00 C ATOM 1065 O GLY A 72 115.933 -8.427 21.524 1.00 0.00 O ATOM 0 H GLY A 72 119.188 -6.391 19.824 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.583 -7.980 19.247 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.226 -9.103 20.429 1.00 0.00 H new ATOM 1069 N LYS A 73 116.905 -6.473 21.785 1.00 0.00 N ATOM 1070 CA LYS A 73 115.858 -6.027 22.748 1.00 0.00 C ATOM 1071 C LYS A 73 114.859 -5.126 22.017 1.00 0.00 C ATOM 1072 O LYS A 73 115.233 -4.306 21.206 1.00 0.00 O ATOM 1073 CB LYS A 73 116.519 -5.240 23.885 1.00 0.00 C ATOM 1074 CG LYS A 73 117.595 -6.103 24.552 1.00 0.00 C ATOM 1075 CD LYS A 73 116.939 -7.293 25.257 1.00 0.00 C ATOM 1076 CE LYS A 73 117.918 -7.889 26.270 1.00 0.00 C ATOM 1077 NZ LYS A 73 118.035 -6.978 27.443 1.00 0.00 N ATOM 0 H LYS A 73 117.639 -5.791 21.596 1.00 0.00 H new ATOM 0 HA LYS A 73 115.339 -6.893 23.159 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.963 -4.324 23.496 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.770 -4.944 24.619 1.00 0.00 H new ATOM 0 HG2 LYS A 73 118.305 -6.457 23.805 1.00 0.00 H new ATOM 0 HG3 LYS A 73 118.158 -5.508 25.271 1.00 0.00 H new ATOM 0 HD2 LYS A 73 116.027 -6.973 25.761 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.651 -8.048 24.526 1.00 0.00 H new ATOM 0 HE2 LYS A 73 117.572 -8.871 26.592 1.00 0.00 H new ATOM 0 HE3 LYS A 73 118.895 -8.031 25.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 118.361 -7.517 28.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 118.719 -6.224 27.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 117.107 -6.556 27.648 1.00 0.00 H new ATOM 1091 N ASN A 74 113.589 -5.276 22.293 1.00 0.00 N ATOM 1092 CA ASN A 74 112.571 -4.433 21.598 1.00 0.00 C ATOM 1093 C ASN A 74 112.407 -3.100 22.331 1.00 0.00 C ATOM 1094 O ASN A 74 111.862 -3.038 23.415 1.00 0.00 O ATOM 1095 CB ASN A 74 111.229 -5.170 21.574 1.00 0.00 C ATOM 1096 CG ASN A 74 110.326 -4.547 20.507 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.511 -3.408 20.129 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.349 -5.251 20.002 1.00 0.00 N ATOM 0 H ASN A 74 113.214 -5.943 22.967 1.00 0.00 H new ATOM 0 HA ASN A 74 112.903 -4.241 20.578 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.386 -6.227 21.361 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.751 -5.109 22.552 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.742 -4.844 19.291 1.00 0.00 H new ATOM 0 HD22 ASN A 74 109.193 -6.208 20.319 1.00 0.00 H new ATOM 1105 N GLU A 75 112.878 -2.031 21.742 1.00 0.00 N ATOM 1106 CA GLU A 75 112.752 -0.698 22.398 1.00 0.00 C ATOM 1107 C GLU A 75 112.555 0.391 21.335 1.00 0.00 C ATOM 1108 O GLU A 75 113.165 0.360 20.282 1.00 0.00 O ATOM 1109 CB GLU A 75 114.031 -0.399 23.193 1.00 0.00 C ATOM 1110 CG GLU A 75 114.132 -1.348 24.389 1.00 0.00 C ATOM 1111 CD GLU A 75 115.430 -1.078 25.151 1.00 0.00 C ATOM 1112 OE1 GLU A 75 116.149 -0.173 24.757 1.00 0.00 O ATOM 1113 OE2 GLU A 75 115.685 -1.780 26.115 1.00 0.00 O ATOM 0 H GLU A 75 113.344 -2.025 20.835 1.00 0.00 H new ATOM 0 HA GLU A 75 111.892 -0.709 23.068 1.00 0.00 H new ATOM 0 HB2 GLU A 75 114.904 -0.514 22.551 1.00 0.00 H new ATOM 0 HB3 GLU A 75 114.023 0.635 23.537 1.00 0.00 H new ATOM 0 HG2 GLU A 75 113.276 -1.210 25.049 1.00 0.00 H new ATOM 0 HG3 GLU A 75 114.107 -2.383 24.048 1.00 0.00 H new ATOM 1120 N ASN A 76 111.709 1.346 21.605 1.00 0.00 N ATOM 1121 CA ASN A 76 111.473 2.429 20.604 1.00 0.00 C ATOM 1122 C ASN A 76 112.775 3.195 20.365 1.00 0.00 C ATOM 1123 O ASN A 76 113.606 3.310 21.242 1.00 0.00 O ATOM 1124 CB ASN A 76 110.402 3.390 21.132 1.00 0.00 C ATOM 1125 CG ASN A 76 109.008 2.806 20.881 1.00 0.00 C ATOM 1126 OD1 ASN A 76 108.876 1.708 20.378 1.00 0.00 O ATOM 1127 ND2 ASN A 76 107.951 3.507 21.199 1.00 0.00 N ATOM 0 H ASN A 76 111.173 1.425 22.469 1.00 0.00 H new ATOM 0 HA ASN A 76 111.134 1.989 19.666 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.548 3.560 22.199 1.00 0.00 H new ATOM 0 HB3 ASN A 76 110.495 4.358 20.639 1.00 0.00 H new ATOM 0 HD21 ASN A 76 107.019 3.132 21.025 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.059 4.429 21.621 1.00 0.00 H new ATOM 1134 N LEU A 77 112.967 3.709 19.178 1.00 0.00 N ATOM 1135 CA LEU A 77 114.226 4.460 18.878 1.00 0.00 C ATOM 1136 C LEU A 77 113.984 5.965 19.048 1.00 0.00 C ATOM 1137 O LEU A 77 114.822 6.780 18.720 1.00 0.00 O ATOM 1138 CB LEU A 77 114.662 4.172 17.439 1.00 0.00 C ATOM 1139 CG LEU A 77 116.154 4.489 17.266 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.000 3.457 18.023 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.511 4.445 15.777 1.00 0.00 C ATOM 0 H LEU A 77 112.308 3.642 18.403 1.00 0.00 H new ATOM 0 HA LEU A 77 115.008 4.141 19.567 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.474 3.126 17.196 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.072 4.771 16.745 1.00 0.00 H new ATOM 0 HG LEU A 77 116.359 5.482 17.666 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.057 3.689 17.895 1.00 0.00 H new ATOM 0 HD12 LEU A 77 116.748 3.487 19.083 1.00 0.00 H new ATOM 0 HD13 LEU A 77 116.797 2.461 17.629 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.570 4.670 15.650 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.301 3.451 15.382 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.916 5.183 15.238 1.00 0.00 H new ATOM 1153 N GLU A 78 112.841 6.343 19.550 1.00 0.00 N ATOM 1154 CA GLU A 78 112.553 7.797 19.727 1.00 0.00 C ATOM 1155 C GLU A 78 113.444 8.374 20.833 1.00 0.00 C ATOM 1156 O GLU A 78 113.965 9.466 20.714 1.00 0.00 O ATOM 1157 CB GLU A 78 111.079 7.993 20.094 1.00 0.00 C ATOM 1158 CG GLU A 78 110.734 7.164 21.338 1.00 0.00 C ATOM 1159 CD GLU A 78 110.866 8.037 22.590 1.00 0.00 C ATOM 1160 OE1 GLU A 78 111.675 8.950 22.569 1.00 0.00 O ATOM 1161 OE2 GLU A 78 110.152 7.782 23.545 1.00 0.00 O ATOM 0 H GLU A 78 112.096 5.712 19.845 1.00 0.00 H new ATOM 0 HA GLU A 78 112.762 8.318 18.793 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.880 9.048 20.283 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.445 7.693 19.260 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.719 6.776 21.259 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.400 6.304 21.410 1.00 0.00 H new ATOM 1168 N ASN A 79 113.635 7.647 21.900 1.00 0.00 N ATOM 1169 CA ASN A 79 114.505 8.158 22.999 1.00 0.00 C ATOM 1170 C ASN A 79 115.938 8.301 22.479 1.00 0.00 C ATOM 1171 O ASN A 79 116.641 9.239 22.800 1.00 0.00 O ATOM 1172 CB ASN A 79 114.479 7.177 24.173 1.00 0.00 C ATOM 1173 CG ASN A 79 113.144 7.306 24.911 1.00 0.00 C ATOM 1174 OD1 ASN A 79 112.450 8.292 24.768 1.00 0.00 O ATOM 1175 ND2 ASN A 79 112.753 6.342 25.701 1.00 0.00 N ATOM 0 H ASN A 79 113.228 6.725 22.059 1.00 0.00 H new ATOM 0 HA ASN A 79 114.139 9.128 23.336 1.00 0.00 H new ATOM 0 HB2 ASN A 79 114.611 6.157 23.812 1.00 0.00 H new ATOM 0 HB3 ASN A 79 115.305 7.384 24.853 1.00 0.00 H new ATOM 0 HD21 ASN A 79 111.865 6.418 26.197 1.00 0.00 H new ATOM 0 HD22 ASN A 79 113.336 5.513 25.822 1.00 0.00 H new ATOM 1182 N LYS A 80 116.375 7.373 21.669 1.00 0.00 N ATOM 1183 CA LYS A 80 117.758 7.455 21.119 1.00 0.00 C ATOM 1184 C LYS A 80 117.854 8.645 20.160 1.00 0.00 C ATOM 1185 O LYS A 80 118.713 9.496 20.289 1.00 0.00 O ATOM 1186 CB LYS A 80 118.078 6.162 20.362 1.00 0.00 C ATOM 1187 CG LYS A 80 119.407 6.301 19.609 1.00 0.00 C ATOM 1188 CD LYS A 80 120.531 6.596 20.604 1.00 0.00 C ATOM 1189 CE LYS A 80 121.882 6.352 19.937 1.00 0.00 C ATOM 1190 NZ LYS A 80 122.124 7.396 18.901 1.00 0.00 N ATOM 0 H LYS A 80 115.834 6.563 21.365 1.00 0.00 H new ATOM 0 HA LYS A 80 118.470 7.587 21.934 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.134 5.328 21.061 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.276 5.936 19.659 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.624 5.384 19.061 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.338 7.103 18.874 1.00 0.00 H new ATOM 0 HD2 LYS A 80 120.465 7.628 20.947 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.428 5.960 21.483 1.00 0.00 H new ATOM 0 HE2 LYS A 80 122.677 6.374 20.683 1.00 0.00 H new ATOM 0 HE3 LYS A 80 121.900 5.362 19.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 123.148 7.518 18.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 121.687 7.103 18.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 121.707 8.297 19.211 1.00 0.00 H new ATOM 1204 N LEU A 81 116.974 8.707 19.198 1.00 0.00 N ATOM 1205 CA LEU A 81 117.001 9.834 18.224 1.00 0.00 C ATOM 1206 C LEU A 81 115.563 10.218 17.864 1.00 0.00 C ATOM 1207 O LEU A 81 114.801 9.404 17.382 1.00 0.00 O ATOM 1208 CB LEU A 81 117.744 9.395 16.960 1.00 0.00 C ATOM 1209 CG LEU A 81 117.946 10.595 16.029 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.844 11.635 16.709 1.00 0.00 C ATOM 1211 CD2 LEU A 81 118.608 10.121 14.733 1.00 0.00 C ATOM 0 H LEU A 81 116.234 8.022 19.045 1.00 0.00 H new ATOM 0 HA LEU A 81 117.511 10.691 18.664 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.709 8.964 17.226 1.00 0.00 H new ATOM 0 HB3 LEU A 81 117.178 8.617 16.447 1.00 0.00 H new ATOM 0 HG LEU A 81 116.979 11.047 15.806 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.984 12.486 16.043 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.375 11.972 17.634 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.812 11.188 16.935 1.00 0.00 H new ATOM 0 HD21 LEU A 81 118.754 10.971 14.067 1.00 0.00 H new ATOM 0 HD22 LEU A 81 119.573 9.669 14.962 1.00 0.00 H new ATOM 0 HD23 LEU A 81 117.969 9.384 14.246 1.00 0.00 H new ATOM 1223 N LYS A 82 115.184 11.443 18.095 1.00 0.00 N ATOM 1224 CA LYS A 82 113.793 11.864 17.761 1.00 0.00 C ATOM 1225 C LYS A 82 113.703 12.179 16.265 1.00 0.00 C ATOM 1226 O LYS A 82 114.162 13.207 15.809 1.00 0.00 O ATOM 1227 CB LYS A 82 113.423 13.105 18.577 1.00 0.00 C ATOM 1228 CG LYS A 82 113.323 12.730 20.058 1.00 0.00 C ATOM 1229 CD LYS A 82 112.991 13.977 20.882 1.00 0.00 C ATOM 1230 CE LYS A 82 112.888 13.600 22.361 1.00 0.00 C ATOM 1231 NZ LYS A 82 112.549 14.810 23.161 1.00 0.00 N ATOM 0 H LYS A 82 115.774 12.170 18.499 1.00 0.00 H new ATOM 0 HA LYS A 82 113.099 11.059 18.002 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.174 13.882 18.438 1.00 0.00 H new ATOM 0 HB3 LYS A 82 112.474 13.513 18.229 1.00 0.00 H new ATOM 0 HG2 LYS A 82 112.553 11.972 20.200 1.00 0.00 H new ATOM 0 HG3 LYS A 82 114.264 12.297 20.398 1.00 0.00 H new ATOM 0 HD2 LYS A 82 113.762 14.734 20.742 1.00 0.00 H new ATOM 0 HD3 LYS A 82 112.052 14.412 20.541 1.00 0.00 H new ATOM 0 HE2 LYS A 82 112.125 12.834 22.499 1.00 0.00 H new ATOM 0 HE3 LYS A 82 113.831 13.176 22.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 112.479 14.553 24.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 113.292 15.527 23.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 111.639 15.196 22.838 1.00 0.00 H new ATOM 1245 N LEU A 83 113.107 11.304 15.502 1.00 0.00 N ATOM 1246 CA LEU A 83 112.980 11.546 14.036 1.00 0.00 C ATOM 1247 C LEU A 83 111.754 12.417 13.755 1.00 0.00 C ATOM 1248 O LEU A 83 110.877 12.561 14.584 1.00 0.00 O ATOM 1249 CB LEU A 83 112.827 10.212 13.307 1.00 0.00 C ATOM 1250 CG LEU A 83 114.060 9.341 13.559 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.879 7.992 12.859 1.00 0.00 C ATOM 1252 CD2 LEU A 83 115.304 10.039 13.003 1.00 0.00 C ATOM 0 H LEU A 83 112.701 10.428 15.832 1.00 0.00 H new ATOM 0 HA LEU A 83 113.875 12.057 13.683 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.930 9.698 13.653 1.00 0.00 H new ATOM 0 HB3 LEU A 83 112.703 10.383 12.238 1.00 0.00 H new ATOM 0 HG LEU A 83 114.181 9.185 14.631 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.756 7.369 13.037 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.994 7.493 13.254 1.00 0.00 H new ATOM 0 HD13 LEU A 83 113.758 8.151 11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 83 116.181 9.417 13.183 1.00 0.00 H new ATOM 0 HD22 LEU A 83 115.185 10.196 11.931 1.00 0.00 H new ATOM 0 HD23 LEU A 83 115.433 11.001 13.498 1.00 0.00 H new ATOM 1264 N THR A 84 111.689 12.999 12.584 1.00 0.00 N ATOM 1265 CA THR A 84 110.518 13.863 12.238 1.00 0.00 C ATOM 1266 C THR A 84 109.959 13.440 10.877 1.00 0.00 C ATOM 1267 O THR A 84 110.616 12.760 10.114 1.00 0.00 O ATOM 1268 CB THR A 84 110.964 15.326 12.169 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.858 15.493 11.078 1.00 0.00 O ATOM 1270 CG2 THR A 84 111.667 15.711 13.471 1.00 0.00 C ATOM 0 H THR A 84 112.395 12.914 11.853 1.00 0.00 H new ATOM 0 HA THR A 84 109.748 13.753 13.001 1.00 0.00 H new ATOM 0 HB THR A 84 110.093 15.966 12.029 1.00 0.00 H new ATOM 0 HG1 THR A 84 112.144 16.429 11.030 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.983 16.753 13.419 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.980 15.581 14.307 1.00 0.00 H new ATOM 0 HG23 THR A 84 112.539 15.074 13.616 1.00 0.00 H new ATOM 1278 N ASN A 85 108.753 13.836 10.563 1.00 0.00 N ATOM 1279 CA ASN A 85 108.164 13.455 9.248 1.00 0.00 C ATOM 1280 C ASN A 85 108.217 11.937 9.078 1.00 0.00 C ATOM 1281 O ASN A 85 108.704 11.429 8.087 1.00 0.00 O ATOM 1282 CB ASN A 85 108.952 14.128 8.121 1.00 0.00 C ATOM 1283 CG ASN A 85 108.561 15.603 8.028 1.00 0.00 C ATOM 1284 OD1 ASN A 85 107.554 16.011 8.572 1.00 0.00 O ATOM 1285 ND2 ASN A 85 109.319 16.425 7.356 1.00 0.00 N ATOM 0 H ASN A 85 108.153 14.405 11.160 1.00 0.00 H new ATOM 0 HA ASN A 85 107.125 13.783 9.210 1.00 0.00 H new ATOM 0 HB2 ASN A 85 110.022 14.037 8.308 1.00 0.00 H new ATOM 0 HB3 ASN A 85 108.750 13.628 7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 85 109.066 17.411 7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 85 110.164 16.082 6.900 1.00 0.00 H new ATOM 1292 N ILE A 86 107.727 11.207 10.041 1.00 0.00 N ATOM 1293 CA ILE A 86 107.756 9.721 9.948 1.00 0.00 C ATOM 1294 C ILE A 86 106.591 9.224 9.085 1.00 0.00 C ATOM 1295 O ILE A 86 105.449 9.576 9.304 1.00 0.00 O ATOM 1296 CB ILE A 86 107.646 9.132 11.355 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.891 9.519 12.160 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.544 7.608 11.270 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.680 9.164 13.634 1.00 0.00 C ATOM 0 H ILE A 86 107.306 11.578 10.893 1.00 0.00 H new ATOM 0 HA ILE A 86 108.692 9.404 9.487 1.00 0.00 H new ATOM 0 HB ILE A 86 106.755 9.523 11.846 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.765 8.996 11.771 1.00 0.00 H new ATOM 0 HG13 ILE A 86 109.086 10.586 12.057 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.466 7.192 12.274 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.660 7.334 10.694 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.433 7.211 10.781 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.566 9.440 14.205 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.817 9.707 14.019 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.506 8.092 13.729 1.00 0.00 H new ATOM 1311 N ILE A 87 106.878 8.398 8.110 1.00 0.00 N ATOM 1312 CA ILE A 87 105.797 7.859 7.227 1.00 0.00 C ATOM 1313 C ILE A 87 105.869 6.328 7.219 1.00 0.00 C ATOM 1314 O ILE A 87 106.891 5.759 6.899 1.00 0.00 O ATOM 1315 CB ILE A 87 106.006 8.369 5.797 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.942 9.902 5.775 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.924 7.797 4.880 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.597 10.381 6.332 1.00 0.00 C ATOM 0 H ILE A 87 107.818 8.072 7.886 1.00 0.00 H new ATOM 0 HA ILE A 87 104.827 8.187 7.600 1.00 0.00 H new ATOM 0 HB ILE A 87 106.985 8.046 5.444 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.758 10.316 6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.072 10.265 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.077 8.163 3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.980 6.708 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.943 8.112 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.562 11.470 6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.787 9.981 5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.484 10.033 7.359 1.00 0.00 H new ATOM 1330 N MET A 88 104.798 5.655 7.569 1.00 0.00 N ATOM 1331 CA MET A 88 104.825 4.159 7.577 1.00 0.00 C ATOM 1332 C MET A 88 103.711 3.614 6.676 1.00 0.00 C ATOM 1333 O MET A 88 102.551 3.622 7.035 1.00 0.00 O ATOM 1334 CB MET A 88 104.617 3.651 9.006 1.00 0.00 C ATOM 1335 CG MET A 88 105.723 4.201 9.911 1.00 0.00 C ATOM 1336 SD MET A 88 105.431 3.671 11.617 1.00 0.00 S ATOM 1337 CE MET A 88 105.880 1.930 11.403 1.00 0.00 C ATOM 0 H MET A 88 103.911 6.075 7.848 1.00 0.00 H new ATOM 0 HA MET A 88 105.790 3.817 7.204 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.641 3.964 9.376 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.629 2.561 9.021 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.696 3.846 9.571 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.744 5.289 9.856 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.149 1.502 12.369 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.033 1.384 10.988 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.729 1.854 10.723 1.00 0.00 H new ATOM 1347 N ASP A 89 104.061 3.128 5.512 1.00 0.00 N ATOM 1348 CA ASP A 89 103.031 2.561 4.586 1.00 0.00 C ATOM 1349 C ASP A 89 103.214 1.040 4.506 1.00 0.00 C ATOM 1350 O ASP A 89 104.076 0.541 3.806 1.00 0.00 O ATOM 1351 CB ASP A 89 103.206 3.172 3.197 1.00 0.00 C ATOM 1352 CG ASP A 89 102.731 4.626 3.211 1.00 0.00 C ATOM 1353 OD1 ASP A 89 102.056 4.999 4.155 1.00 0.00 O ATOM 1354 OD2 ASP A 89 103.053 5.343 2.276 1.00 0.00 O ATOM 0 H ASP A 89 105.018 3.099 5.161 1.00 0.00 H new ATOM 0 HA ASP A 89 102.032 2.791 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.253 3.124 2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.638 2.600 2.463 1.00 0.00 H new ATOM 1359 N HIS A 90 102.414 0.296 5.219 1.00 0.00 N ATOM 1360 CA HIS A 90 102.546 -1.188 5.190 1.00 0.00 C ATOM 1361 C HIS A 90 102.032 -1.750 3.861 1.00 0.00 C ATOM 1362 O HIS A 90 102.544 -2.728 3.358 1.00 0.00 O ATOM 1363 CB HIS A 90 101.747 -1.791 6.343 1.00 0.00 C ATOM 1364 CG HIS A 90 102.334 -1.334 7.651 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.502 -1.874 8.170 1.00 0.00 N ATOM 1366 CD2 HIS A 90 101.925 -0.384 8.556 1.00 0.00 C ATOM 1367 CE1 HIS A 90 103.754 -1.253 9.337 1.00 0.00 C ATOM 1368 NE2 HIS A 90 102.824 -0.339 9.616 1.00 0.00 N ATOM 0 H HIS A 90 101.673 0.653 5.822 1.00 0.00 H new ATOM 0 HA HIS A 90 103.599 -1.448 5.293 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.703 -1.487 6.274 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.767 -2.879 6.283 1.00 0.00 H new ATOM 0 HD2 HIS A 90 101.043 0.232 8.459 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.603 -1.468 9.969 1.00 0.00 H new ATOM 0 HE2 HIS A 90 102.781 0.267 10.436 1.00 0.00 H new ATOM 1377 N TYR A 91 101.017 -1.159 3.296 1.00 0.00 N ATOM 1378 CA TYR A 91 100.478 -1.686 2.007 1.00 0.00 C ATOM 1379 C TYR A 91 101.560 -1.611 0.928 1.00 0.00 C ATOM 1380 O TYR A 91 101.765 -2.544 0.177 1.00 0.00 O ATOM 1381 CB TYR A 91 99.265 -0.862 1.574 1.00 0.00 C ATOM 1382 CG TYR A 91 98.786 -1.349 0.228 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.052 -2.538 0.134 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.077 -0.614 -0.927 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.610 -2.991 -1.115 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.635 -1.067 -2.175 1.00 0.00 C ATOM 1387 CZ TYR A 91 97.902 -2.257 -2.270 1.00 0.00 C ATOM 1388 OH TYR A 91 97.468 -2.703 -3.501 1.00 0.00 O ATOM 0 H TYR A 91 100.538 -0.338 3.667 1.00 0.00 H new ATOM 0 HA TYR A 91 100.175 -2.724 2.145 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.467 -0.953 2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.529 0.194 1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.827 -3.106 1.025 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.643 0.303 -0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.043 -3.908 -1.187 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.859 -0.499 -3.066 1.00 0.00 H new ATOM 0 HH TYR A 91 97.755 -2.075 -4.196 1.00 0.00 H new ATOM 1398 N ASN A 92 102.257 -0.510 0.844 1.00 0.00 N ATOM 1399 CA ASN A 92 103.324 -0.386 -0.190 1.00 0.00 C ATOM 1400 C ASN A 92 104.641 -0.916 0.383 1.00 0.00 C ATOM 1401 O ASN A 92 105.637 -1.019 -0.306 1.00 0.00 O ATOM 1402 CB ASN A 92 103.486 1.082 -0.584 1.00 0.00 C ATOM 1403 CG ASN A 92 102.293 1.520 -1.435 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.595 0.696 -1.991 1.00 0.00 O ATOM 1405 ND2 ASN A 92 102.028 2.791 -1.564 1.00 0.00 N ATOM 0 H ASN A 92 102.134 0.306 1.444 1.00 0.00 H new ATOM 0 HA ASN A 92 103.051 -0.965 -1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.556 1.703 0.309 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.413 1.219 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.235 3.092 -2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.613 3.484 -1.098 1.00 0.00 H new ATOM 1412 N ASN A 93 104.640 -1.275 1.639 1.00 0.00 N ATOM 1413 CA ASN A 93 105.878 -1.825 2.261 1.00 0.00 C ATOM 1414 C ASN A 93 107.029 -0.828 2.106 1.00 0.00 C ATOM 1415 O ASN A 93 108.128 -1.194 1.740 1.00 0.00 O ATOM 1416 CB ASN A 93 106.250 -3.145 1.575 1.00 0.00 C ATOM 1417 CG ASN A 93 105.037 -4.077 1.568 1.00 0.00 C ATOM 1418 OD1 ASN A 93 103.927 -3.648 1.800 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.202 -5.345 1.309 1.00 0.00 N ATOM 0 H ASN A 93 103.834 -1.211 2.261 1.00 0.00 H new ATOM 0 HA ASN A 93 105.698 -2.000 3.322 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.582 -2.955 0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.082 -3.617 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.398 -5.973 1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 93 106.135 -5.708 1.113 1.00 0.00 H new ATOM 1426 N THR A 94 106.791 0.433 2.374 1.00 0.00 N ATOM 1427 CA THR A 94 107.879 1.448 2.241 1.00 0.00 C ATOM 1428 C THR A 94 107.911 2.326 3.495 1.00 0.00 C ATOM 1429 O THR A 94 106.885 2.706 4.024 1.00 0.00 O ATOM 1430 CB THR A 94 107.618 2.319 1.010 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.569 3.373 0.971 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.209 2.902 1.083 1.00 0.00 C ATOM 0 H THR A 94 105.890 0.802 2.679 1.00 0.00 H new ATOM 0 HA THR A 94 108.838 0.942 2.128 1.00 0.00 H new ATOM 0 HB THR A 94 107.708 1.713 0.109 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.301 4.079 1.595 1.00 0.00 H new ATOM 0 HG21 THR A 94 106.026 3.522 0.205 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.481 2.091 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.113 3.510 1.983 1.00 0.00 H new ATOM 1440 N PHE A 95 109.086 2.638 3.982 1.00 0.00 N ATOM 1441 CA PHE A 95 109.185 3.481 5.216 1.00 0.00 C ATOM 1442 C PHE A 95 110.113 4.672 4.963 1.00 0.00 C ATOM 1443 O PHE A 95 111.139 4.544 4.330 1.00 0.00 O ATOM 1444 CB PHE A 95 109.758 2.628 6.351 1.00 0.00 C ATOM 1445 CG PHE A 95 108.843 1.453 6.609 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.910 0.321 5.788 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.933 1.495 7.672 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.063 -0.768 6.027 1.00 0.00 C ATOM 1449 CE2 PHE A 95 107.088 0.405 7.911 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.152 -0.727 7.089 1.00 0.00 C ATOM 0 H PHE A 95 109.978 2.348 3.582 1.00 0.00 H new ATOM 0 HA PHE A 95 108.195 3.851 5.484 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.755 2.275 6.087 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.861 3.228 7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.615 0.288 4.970 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.883 2.367 8.307 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.113 -1.640 5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.386 0.437 8.731 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.499 -1.567 7.274 1.00 0.00 H new ATOM 1460 N TYR A 96 109.761 5.832 5.462 1.00 0.00 N ATOM 1461 CA TYR A 96 110.622 7.039 5.260 1.00 0.00 C ATOM 1462 C TYR A 96 110.724 7.814 6.578 1.00 0.00 C ATOM 1463 O TYR A 96 109.792 7.854 7.357 1.00 0.00 O ATOM 1464 CB TYR A 96 110.000 7.957 4.201 1.00 0.00 C ATOM 1465 CG TYR A 96 109.819 7.220 2.899 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.851 7.212 1.951 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.616 6.564 2.629 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.678 6.543 0.734 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.442 5.897 1.412 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.472 5.885 0.465 1.00 0.00 C ATOM 1471 OH TYR A 96 109.298 5.228 -0.736 1.00 0.00 O ATOM 0 H TYR A 96 108.911 5.995 6.002 1.00 0.00 H new ATOM 0 HA TYR A 96 111.610 6.717 4.931 1.00 0.00 H new ATOM 0 HB2 TYR A 96 109.037 8.326 4.553 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.638 8.827 4.047 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.780 7.722 2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.821 6.572 3.359 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.474 6.534 0.004 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.511 5.391 1.203 1.00 0.00 H new ATOM 0 HH TYR A 96 108.973 4.319 -0.567 1.00 0.00 H new ATOM 1481 N SER A 97 111.841 8.443 6.829 1.00 0.00 N ATOM 1482 CA SER A 97 111.995 9.225 8.090 1.00 0.00 C ATOM 1483 C SER A 97 113.020 10.344 7.872 1.00 0.00 C ATOM 1484 O SER A 97 113.920 10.221 7.065 1.00 0.00 O ATOM 1485 CB SER A 97 112.480 8.304 9.212 1.00 0.00 C ATOM 1486 OG SER A 97 112.580 9.050 10.417 1.00 0.00 O ATOM 0 H SER A 97 112.655 8.449 6.214 1.00 0.00 H new ATOM 0 HA SER A 97 111.033 9.657 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 97 111.787 7.472 9.341 1.00 0.00 H new ATOM 0 HB3 SER A 97 113.448 7.875 8.954 1.00 0.00 H new ATOM 0 HG SER A 97 111.952 8.690 11.078 1.00 0.00 H new ATOM 1492 N ARG A 98 112.885 11.439 8.576 1.00 0.00 N ATOM 1493 CA ARG A 98 113.849 12.568 8.404 1.00 0.00 C ATOM 1494 C ARG A 98 114.790 12.625 9.608 1.00 0.00 C ATOM 1495 O ARG A 98 114.380 12.441 10.745 1.00 0.00 O ATOM 1496 CB ARG A 98 113.083 13.891 8.285 1.00 0.00 C ATOM 1497 CG ARG A 98 112.611 14.085 6.842 1.00 0.00 C ATOM 1498 CD ARG A 98 111.691 12.929 6.431 1.00 0.00 C ATOM 1499 NE ARG A 98 112.507 11.899 5.720 1.00 0.00 N ATOM 1500 CZ ARG A 98 111.978 10.754 5.370 1.00 0.00 C ATOM 1501 NH1 ARG A 98 110.771 10.441 5.759 1.00 0.00 N ATOM 1502 NH2 ARG A 98 112.681 9.905 4.669 1.00 0.00 N ATOM 0 H ARG A 98 112.148 11.600 9.263 1.00 0.00 H new ATOM 0 HA ARG A 98 114.431 12.409 7.496 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.228 13.889 8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.723 14.721 8.583 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.081 15.033 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 98 113.470 14.132 6.173 1.00 0.00 H new ATOM 0 HD2 ARG A 98 111.215 12.494 7.310 1.00 0.00 H new ATOM 0 HD3 ARG A 98 110.893 13.293 5.783 1.00 0.00 H new ATOM 0 HE ARG A 98 113.486 12.090 5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 98 110.237 11.090 6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 98 110.362 9.548 5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 98 113.637 10.136 4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 98 112.274 9.011 4.393 1.00 0.00 H new ATOM 1516 N LEU A 99 116.045 12.876 9.360 1.00 0.00 N ATOM 1517 CA LEU A 99 117.033 12.943 10.475 1.00 0.00 C ATOM 1518 C LEU A 99 117.188 14.397 10.942 1.00 0.00 C ATOM 1519 O LEU A 99 117.198 15.304 10.135 1.00 0.00 O ATOM 1520 CB LEU A 99 118.395 12.439 9.989 1.00 0.00 C ATOM 1521 CG LEU A 99 118.271 11.019 9.441 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.667 10.474 9.141 1.00 0.00 C ATOM 1523 CD2 LEU A 99 117.591 10.124 10.479 1.00 0.00 C ATOM 0 H LEU A 99 116.431 13.038 8.430 1.00 0.00 H new ATOM 0 HA LEU A 99 116.678 12.323 11.298 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.780 13.102 9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.111 12.458 10.810 1.00 0.00 H new ATOM 0 HG LEU A 99 117.674 11.032 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.585 9.460 8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 99 120.155 11.110 8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.258 10.463 10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 99 117.504 9.111 10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.186 10.108 11.392 1.00 0.00 H new ATOM 0 HD23 LEU A 99 116.597 10.514 10.701 1.00 0.00 H new ATOM 1535 N PRO A 100 117.342 14.630 12.227 1.00 0.00 N ATOM 1536 CA PRO A 100 117.527 16.008 12.755 1.00 0.00 C ATOM 1537 C PRO A 100 118.567 16.779 11.939 1.00 0.00 C ATOM 1538 O PRO A 100 119.396 16.198 11.268 1.00 0.00 O ATOM 1539 CB PRO A 100 118.037 15.782 14.181 1.00 0.00 C ATOM 1540 CG PRO A 100 117.504 14.449 14.585 1.00 0.00 C ATOM 1541 CD PRO A 100 117.341 13.628 13.307 1.00 0.00 C ATOM 0 HA PRO A 100 116.611 16.596 12.711 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.126 15.797 14.216 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.686 16.566 14.853 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.186 13.954 15.277 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.549 14.555 15.100 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.155 12.913 13.187 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.413 13.056 13.318 1.00 0.00 H new ATOM 1549 N SER A 101 118.520 18.080 11.974 1.00 0.00 N ATOM 1550 CA SER A 101 119.499 18.874 11.184 1.00 0.00 C ATOM 1551 C SER A 101 120.903 18.681 11.759 1.00 0.00 C ATOM 1552 O SER A 101 121.889 18.983 11.117 1.00 0.00 O ATOM 1553 CB SER A 101 119.125 20.354 11.242 1.00 0.00 C ATOM 1554 OG SER A 101 119.934 21.078 10.325 1.00 0.00 O ATOM 0 H SER A 101 117.849 18.626 12.513 1.00 0.00 H new ATOM 0 HA SER A 101 119.482 18.535 10.148 1.00 0.00 H new ATOM 0 HB2 SER A 101 118.071 20.485 10.997 1.00 0.00 H new ATOM 0 HB3 SER A 101 119.267 20.738 12.252 1.00 0.00 H new ATOM 0 HG SER A 101 119.696 22.028 10.358 1.00 0.00 H new ATOM 1560 N LEU A 102 121.003 18.196 12.968 1.00 0.00 N ATOM 1561 CA LEU A 102 122.346 18.000 13.596 1.00 0.00 C ATOM 1562 C LEU A 102 122.543 16.534 13.999 1.00 0.00 C ATOM 1563 O LEU A 102 121.705 15.942 14.648 1.00 0.00 O ATOM 1564 CB LEU A 102 122.446 18.889 14.836 1.00 0.00 C ATOM 1565 CG LEU A 102 123.854 18.805 15.429 1.00 0.00 C ATOM 1566 CD1 LEU A 102 124.881 19.298 14.403 1.00 0.00 C ATOM 1567 CD2 LEU A 102 123.925 19.681 16.682 1.00 0.00 C ATOM 0 H LEU A 102 120.211 17.926 13.551 1.00 0.00 H new ATOM 0 HA LEU A 102 123.120 18.268 12.877 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.214 19.921 14.573 1.00 0.00 H new ATOM 0 HB3 LEU A 102 121.711 18.576 15.578 1.00 0.00 H new ATOM 0 HG LEU A 102 124.076 17.770 15.689 1.00 0.00 H new ATOM 0 HD11 LEU A 102 125.882 19.236 14.831 1.00 0.00 H new ATOM 0 HD12 LEU A 102 124.829 18.676 13.509 1.00 0.00 H new ATOM 0 HD13 LEU A 102 124.663 20.333 14.139 1.00 0.00 H new ATOM 0 HD21 LEU A 102 124.926 19.625 17.109 1.00 0.00 H new ATOM 0 HD22 LEU A 102 123.701 20.714 16.417 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.198 19.329 17.414 1.00 0.00 H new ATOM 1579 N ILE A 103 123.657 15.953 13.633 1.00 0.00 N ATOM 1580 CA ILE A 103 123.932 14.537 14.012 1.00 0.00 C ATOM 1581 C ILE A 103 125.430 14.387 14.289 1.00 0.00 C ATOM 1582 O ILE A 103 126.254 14.707 13.456 1.00 0.00 O ATOM 1583 CB ILE A 103 123.527 13.600 12.873 1.00 0.00 C ATOM 1584 CG1 ILE A 103 122.121 13.960 12.389 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.532 12.152 13.374 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.722 13.030 11.242 1.00 0.00 C ATOM 0 H ILE A 103 124.391 16.402 13.085 1.00 0.00 H new ATOM 0 HA ILE A 103 123.357 14.277 14.901 1.00 0.00 H new ATOM 0 HB ILE A 103 124.235 13.706 12.051 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.409 13.870 13.209 1.00 0.00 H new ATOM 0 HG13 ILE A 103 122.094 14.998 12.056 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.243 11.485 12.562 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.532 11.890 13.720 1.00 0.00 H new ATOM 0 HG23 ILE A 103 122.824 12.049 14.197 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.720 13.287 10.897 1.00 0.00 H new ATOM 0 HD12 ILE A 103 122.429 13.142 10.420 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.732 11.997 11.591 1.00 0.00 H new ATOM 1598 N SER A 104 125.795 13.910 15.449 1.00 0.00 N ATOM 1599 CA SER A 104 127.246 13.750 15.770 1.00 0.00 C ATOM 1600 C SER A 104 127.494 12.370 16.378 1.00 0.00 C ATOM 1601 O SER A 104 128.522 12.125 16.974 1.00 0.00 O ATOM 1602 CB SER A 104 127.662 14.828 16.771 1.00 0.00 C ATOM 1603 OG SER A 104 127.200 16.094 16.316 1.00 0.00 O ATOM 0 H SER A 104 125.153 13.624 16.188 1.00 0.00 H new ATOM 0 HA SER A 104 127.831 13.849 14.856 1.00 0.00 H new ATOM 0 HB2 SER A 104 127.246 14.608 17.754 1.00 0.00 H new ATOM 0 HB3 SER A 104 128.747 14.841 16.879 1.00 0.00 H new ATOM 0 HG SER A 104 127.463 16.788 16.956 1.00 0.00 H new ATOM 1609 N ASP A 105 126.559 11.469 16.238 1.00 0.00 N ATOM 1610 CA ASP A 105 126.739 10.103 16.814 1.00 0.00 C ATOM 1611 C ASP A 105 126.954 9.085 15.691 1.00 0.00 C ATOM 1612 O ASP A 105 126.516 9.273 14.574 1.00 0.00 O ATOM 1613 CB ASP A 105 125.494 9.727 17.621 1.00 0.00 C ATOM 1614 CG ASP A 105 124.275 10.448 17.046 1.00 0.00 C ATOM 1615 OD1 ASP A 105 124.317 10.801 15.878 1.00 0.00 O ATOM 1616 OD2 ASP A 105 123.318 10.633 17.780 1.00 0.00 O ATOM 0 H ASP A 105 125.677 11.619 15.749 1.00 0.00 H new ATOM 0 HA ASP A 105 127.613 10.098 17.466 1.00 0.00 H new ATOM 0 HB2 ASP A 105 125.340 8.648 17.590 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.630 9.999 18.668 1.00 0.00 H new ATOM 1621 N ASN A 106 127.618 8.002 15.989 1.00 0.00 N ATOM 1622 CA ASN A 106 127.858 6.952 14.956 1.00 0.00 C ATOM 1623 C ASN A 106 126.784 5.868 15.088 1.00 0.00 C ATOM 1624 O ASN A 106 127.033 4.703 14.853 1.00 0.00 O ATOM 1625 CB ASN A 106 129.234 6.320 15.177 1.00 0.00 C ATOM 1626 CG ASN A 106 130.331 7.305 14.774 1.00 0.00 C ATOM 1627 OD1 ASN A 106 130.090 8.228 14.022 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.537 7.148 15.249 1.00 0.00 N ATOM 0 H ASN A 106 128.007 7.797 16.909 1.00 0.00 H new ATOM 0 HA ASN A 106 127.818 7.401 13.963 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.351 6.040 16.224 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.322 5.405 14.591 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.277 7.800 14.989 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.740 6.373 15.880 1.00 0.00 H new ATOM 1635 N TRP A 107 125.601 6.239 15.491 1.00 0.00 N ATOM 1636 CA TRP A 107 124.523 5.224 15.672 1.00 0.00 C ATOM 1637 C TRP A 107 124.125 4.614 14.326 1.00 0.00 C ATOM 1638 O TRP A 107 124.323 5.194 13.277 1.00 0.00 O ATOM 1639 CB TRP A 107 123.296 5.884 16.313 1.00 0.00 C ATOM 1640 CG TRP A 107 122.732 6.921 15.393 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.309 8.112 15.118 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.488 6.887 14.635 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.504 8.810 14.239 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.368 8.097 13.911 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.464 5.934 14.505 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.271 8.352 13.089 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.359 6.190 13.678 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.263 7.394 12.973 1.00 0.00 C ATOM 0 H TRP A 107 125.333 7.200 15.703 1.00 0.00 H new ATOM 0 HA TRP A 107 124.898 4.432 16.320 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.540 5.130 16.531 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.574 6.341 17.263 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.248 8.462 15.521 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.722 9.738 13.877 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.527 5.000 15.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.202 9.283 12.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.577 5.451 13.585 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.409 7.582 12.339 1.00 0.00 H new ATOM 1659 N LYS A 108 123.566 3.434 14.363 1.00 0.00 N ATOM 1660 CA LYS A 108 123.146 2.752 13.108 1.00 0.00 C ATOM 1661 C LYS A 108 121.850 1.982 13.371 1.00 0.00 C ATOM 1662 O LYS A 108 121.564 1.606 14.493 1.00 0.00 O ATOM 1663 CB LYS A 108 124.242 1.776 12.669 1.00 0.00 C ATOM 1664 CG LYS A 108 124.329 0.614 13.662 1.00 0.00 C ATOM 1665 CD LYS A 108 125.511 -0.287 13.299 1.00 0.00 C ATOM 1666 CE LYS A 108 125.212 -1.033 11.995 1.00 0.00 C ATOM 1667 NZ LYS A 108 126.157 -2.175 11.850 1.00 0.00 N ATOM 0 H LYS A 108 123.381 2.910 15.218 1.00 0.00 H new ATOM 0 HA LYS A 108 122.983 3.489 12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 108 124.026 1.397 11.670 1.00 0.00 H new ATOM 0 HB3 LYS A 108 125.201 2.292 12.614 1.00 0.00 H new ATOM 0 HG2 LYS A 108 124.449 0.997 14.675 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.403 0.039 13.646 1.00 0.00 H new ATOM 0 HD2 LYS A 108 126.415 0.311 13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 108 125.697 -1.000 14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 108 124.184 -1.396 11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 108 125.309 -0.357 11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 125.955 -2.682 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 127.133 -1.817 11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 126.043 -2.824 12.655 1.00 0.00 H new ATOM 1681 N PHE A 109 121.069 1.734 12.355 1.00 0.00 N ATOM 1682 CA PHE A 109 119.801 0.975 12.570 1.00 0.00 C ATOM 1683 C PHE A 109 119.450 0.227 11.282 1.00 0.00 C ATOM 1684 O PHE A 109 119.961 0.537 10.222 1.00 0.00 O ATOM 1685 CB PHE A 109 118.674 1.947 12.942 1.00 0.00 C ATOM 1686 CG PHE A 109 118.271 2.762 11.739 1.00 0.00 C ATOM 1687 CD1 PHE A 109 118.953 3.943 11.429 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.204 2.339 10.937 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.569 4.701 10.317 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.819 3.097 9.827 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.502 4.279 9.515 1.00 0.00 C ATOM 0 H PHE A 109 121.250 2.021 11.393 1.00 0.00 H new ATOM 0 HA PHE A 109 119.927 0.260 13.383 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.815 1.392 13.319 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.003 2.607 13.744 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.776 4.270 12.048 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.678 1.427 11.176 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.096 5.612 10.077 1.00 0.00 H new ATOM 0 HE2 PHE A 109 115.995 2.771 9.210 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.206 4.864 8.657 1.00 0.00 H new ATOM 1701 N PHE A 110 118.606 -0.771 11.352 1.00 0.00 N ATOM 1702 CA PHE A 110 118.275 -1.525 10.111 1.00 0.00 C ATOM 1703 C PHE A 110 116.872 -2.142 10.176 1.00 0.00 C ATOM 1704 O PHE A 110 116.299 -2.321 11.229 1.00 0.00 O ATOM 1705 CB PHE A 110 119.307 -2.640 9.920 1.00 0.00 C ATOM 1706 CG PHE A 110 119.517 -3.369 11.227 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.289 -2.782 12.237 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.943 -4.630 11.429 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.487 -3.456 13.448 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.144 -5.303 12.640 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.915 -4.717 13.649 1.00 0.00 C ATOM 0 H PHE A 110 118.140 -1.091 12.201 1.00 0.00 H new ATOM 0 HA PHE A 110 118.295 -0.828 9.273 1.00 0.00 H new ATOM 0 HB2 PHE A 110 118.966 -3.337 9.154 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.250 -2.220 9.571 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.732 -1.809 12.082 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.346 -5.083 10.651 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.081 -3.002 14.227 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.703 -6.276 12.795 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.069 -5.237 14.583 1.00 0.00 H new ATOM 1721 N CYS A 111 116.338 -2.487 9.031 1.00 0.00 N ATOM 1722 CA CYS A 111 114.987 -3.121 8.965 1.00 0.00 C ATOM 1723 C CYS A 111 115.110 -4.402 8.140 1.00 0.00 C ATOM 1724 O CYS A 111 116.034 -4.551 7.369 1.00 0.00 O ATOM 1725 CB CYS A 111 113.997 -2.173 8.284 1.00 0.00 C ATOM 1726 SG CYS A 111 113.735 -0.713 9.322 1.00 0.00 S ATOM 0 H CYS A 111 116.789 -2.354 8.126 1.00 0.00 H new ATOM 0 HA CYS A 111 114.626 -3.341 9.970 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.379 -1.873 7.308 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.049 -2.684 8.112 1.00 0.00 H new ATOM 1731 N VAL A 112 114.214 -5.342 8.303 1.00 0.00 N ATOM 1732 CA VAL A 112 114.335 -6.619 7.528 1.00 0.00 C ATOM 1733 C VAL A 112 113.019 -6.988 6.834 1.00 0.00 C ATOM 1734 O VAL A 112 111.944 -6.837 7.374 1.00 0.00 O ATOM 1735 CB VAL A 112 114.736 -7.747 8.476 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.562 -9.092 7.768 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.200 -7.572 8.883 1.00 0.00 C ATOM 0 H VAL A 112 113.412 -5.285 8.931 1.00 0.00 H new ATOM 0 HA VAL A 112 115.094 -6.476 6.759 1.00 0.00 H new ATOM 0 HB VAL A 112 114.105 -7.719 9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.848 -9.898 8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.520 -9.217 7.475 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.194 -9.121 6.881 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.488 -8.376 9.560 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.831 -7.602 7.995 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.326 -6.613 9.385 1.00 0.00 H new ATOM 1747 N CYS A 113 113.125 -7.518 5.640 1.00 0.00 N ATOM 1748 CA CYS A 113 111.924 -7.969 4.879 1.00 0.00 C ATOM 1749 C CYS A 113 112.096 -9.470 4.621 1.00 0.00 C ATOM 1750 O CYS A 113 113.149 -9.903 4.196 1.00 0.00 O ATOM 1751 CB CYS A 113 111.848 -7.231 3.540 1.00 0.00 C ATOM 1752 SG CYS A 113 111.628 -5.457 3.823 1.00 0.00 S ATOM 0 H CYS A 113 114.011 -7.658 5.154 1.00 0.00 H new ATOM 0 HA CYS A 113 111.012 -7.764 5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.758 -7.406 2.967 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.019 -7.619 2.948 1.00 0.00 H new ATOM 1757 N SER A 114 111.109 -10.286 4.890 1.00 0.00 N ATOM 1758 CA SER A 114 111.308 -11.747 4.660 1.00 0.00 C ATOM 1759 C SER A 114 109.997 -12.525 4.807 1.00 0.00 C ATOM 1760 O SER A 114 108.954 -11.979 5.108 1.00 0.00 O ATOM 1761 CB SER A 114 112.304 -12.272 5.689 1.00 0.00 C ATOM 1762 OG SER A 114 111.849 -11.936 6.993 1.00 0.00 O ATOM 0 H SER A 114 110.195 -10.012 5.250 1.00 0.00 H new ATOM 0 HA SER A 114 111.678 -11.886 3.644 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.407 -13.353 5.594 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.289 -11.841 5.512 1.00 0.00 H new ATOM 0 HG SER A 114 112.485 -12.273 7.658 1.00 0.00 H new ATOM 1768 N LYS A 115 110.074 -13.814 4.603 1.00 0.00 N ATOM 1769 CA LYS A 115 108.886 -14.703 4.739 1.00 0.00 C ATOM 1770 C LYS A 115 109.388 -16.127 4.982 1.00 0.00 C ATOM 1771 O LYS A 115 110.556 -16.414 4.806 1.00 0.00 O ATOM 1772 CB LYS A 115 108.040 -14.688 3.464 1.00 0.00 C ATOM 1773 CG LYS A 115 107.263 -13.374 3.354 1.00 0.00 C ATOM 1774 CD LYS A 115 106.032 -13.586 2.466 1.00 0.00 C ATOM 1775 CE LYS A 115 106.444 -14.288 1.169 1.00 0.00 C ATOM 1776 NZ LYS A 115 106.423 -15.764 1.372 1.00 0.00 N ATOM 0 H LYS A 115 110.933 -14.298 4.341 1.00 0.00 H new ATOM 0 HA LYS A 115 108.268 -14.352 5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.683 -14.812 2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.346 -15.529 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 115 106.957 -13.035 4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 115 107.900 -12.596 2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.290 -14.184 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.566 -12.627 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 115 105.765 -14.012 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.441 -13.966 0.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 107.369 -16.154 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 106.150 -15.976 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 105.736 -16.194 0.721 1.00 0.00 H new ATOM 1790 N ASP A 116 108.534 -17.024 5.377 1.00 0.00 N ATOM 1791 CA ASP A 116 108.992 -18.422 5.615 1.00 0.00 C ATOM 1792 C ASP A 116 109.610 -18.974 4.326 1.00 0.00 C ATOM 1793 O ASP A 116 109.232 -18.596 3.236 1.00 0.00 O ATOM 1794 CB ASP A 116 107.801 -19.288 6.030 1.00 0.00 C ATOM 1795 CG ASP A 116 107.434 -18.986 7.485 1.00 0.00 C ATOM 1796 OD1 ASP A 116 108.241 -18.372 8.164 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.352 -19.371 7.895 1.00 0.00 O ATOM 0 H ASP A 116 107.543 -16.854 5.546 1.00 0.00 H new ATOM 0 HA ASP A 116 109.737 -18.435 6.411 1.00 0.00 H new ATOM 0 HB2 ASP A 116 106.949 -19.089 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 116 108.048 -20.344 5.918 1.00 0.00 H new ATOM 1802 N ASN A 117 110.551 -19.871 4.441 1.00 0.00 N ATOM 1803 CA ASN A 117 111.186 -20.449 3.216 1.00 0.00 C ATOM 1804 C ASN A 117 111.496 -19.330 2.214 1.00 0.00 C ATOM 1805 O ASN A 117 111.006 -19.339 1.102 1.00 0.00 O ATOM 1806 CB ASN A 117 110.234 -21.458 2.570 1.00 0.00 C ATOM 1807 CG ASN A 117 110.993 -22.282 1.527 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.143 -22.621 1.721 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.392 -22.620 0.418 1.00 0.00 N ATOM 0 H ASN A 117 110.909 -20.230 5.326 1.00 0.00 H new ATOM 0 HA ASN A 117 112.112 -20.950 3.497 1.00 0.00 H new ATOM 0 HB2 ASN A 117 109.812 -22.115 3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.399 -20.937 2.100 1.00 0.00 H new ATOM 0 HD21 ASN A 117 110.888 -23.168 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.426 -22.336 0.254 1.00 0.00 H new ATOM 1816 N GLU A 118 112.305 -18.373 2.590 1.00 0.00 N ATOM 1817 CA GLU A 118 112.636 -17.261 1.648 1.00 0.00 C ATOM 1818 C GLU A 118 113.901 -16.531 2.114 1.00 0.00 C ATOM 1819 O GLU A 118 114.100 -16.308 3.291 1.00 0.00 O ATOM 1820 CB GLU A 118 111.478 -16.256 1.603 1.00 0.00 C ATOM 1821 CG GLU A 118 110.331 -16.799 0.746 1.00 0.00 C ATOM 1822 CD GLU A 118 109.418 -15.648 0.330 1.00 0.00 C ATOM 1823 OE1 GLU A 118 109.770 -14.513 0.599 1.00 0.00 O ATOM 1824 OE2 GLU A 118 108.381 -15.922 -0.249 1.00 0.00 O ATOM 0 H GLU A 118 112.750 -18.313 3.506 1.00 0.00 H new ATOM 0 HA GLU A 118 112.802 -17.685 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.122 -16.057 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 118 111.827 -15.307 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 118 110.728 -17.300 -0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 118 109.764 -17.543 1.306 1.00 0.00 H new ATOM 1831 N LYS A 119 114.751 -16.147 1.196 1.00 0.00 N ATOM 1832 CA LYS A 119 115.996 -15.424 1.586 1.00 0.00 C ATOM 1833 C LYS A 119 115.622 -14.171 2.386 1.00 0.00 C ATOM 1834 O LYS A 119 114.619 -13.537 2.125 1.00 0.00 O ATOM 1835 CB LYS A 119 116.765 -15.011 0.325 1.00 0.00 C ATOM 1836 CG LYS A 119 117.270 -16.259 -0.406 1.00 0.00 C ATOM 1837 CD LYS A 119 117.990 -15.841 -1.693 1.00 0.00 C ATOM 1838 CE LYS A 119 118.433 -17.088 -2.462 1.00 0.00 C ATOM 1839 NZ LYS A 119 119.373 -17.884 -1.621 1.00 0.00 N ATOM 0 H LYS A 119 114.636 -16.303 0.195 1.00 0.00 H new ATOM 0 HA LYS A 119 116.622 -16.076 2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.118 -14.430 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.605 -14.371 0.594 1.00 0.00 H new ATOM 0 HG2 LYS A 119 117.948 -16.821 0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 119 116.435 -16.918 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.328 -15.236 -2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 119 118.855 -15.223 -1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 119 117.565 -17.692 -2.727 1.00 0.00 H new ATOM 0 HE3 LYS A 119 118.918 -16.800 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 119.916 -18.533 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 120.026 -17.242 -1.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 118.833 -18.433 -0.922 1.00 0.00 H new ATOM 1853 N LYS A 120 116.414 -13.812 3.365 1.00 0.00 N ATOM 1854 CA LYS A 120 116.090 -12.604 4.182 1.00 0.00 C ATOM 1855 C LYS A 120 116.802 -11.368 3.612 1.00 0.00 C ATOM 1856 O LYS A 120 117.940 -11.428 3.176 1.00 0.00 O ATOM 1857 CB LYS A 120 116.526 -12.831 5.634 1.00 0.00 C ATOM 1858 CG LYS A 120 118.020 -13.139 5.686 1.00 0.00 C ATOM 1859 CD LYS A 120 118.482 -13.214 7.142 1.00 0.00 C ATOM 1860 CE LYS A 120 118.113 -14.578 7.731 1.00 0.00 C ATOM 1861 NZ LYS A 120 118.746 -14.727 9.073 1.00 0.00 N ATOM 0 H LYS A 120 117.268 -14.302 3.633 1.00 0.00 H new ATOM 0 HA LYS A 120 115.014 -12.434 4.149 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.307 -11.946 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 120 115.961 -13.656 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.224 -14.083 5.181 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.579 -12.367 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.560 -13.062 7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 120 118.016 -12.418 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 120 117.030 -14.669 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 120 118.449 -15.375 7.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 118.496 -15.653 9.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 119.779 -14.658 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 118.405 -13.973 9.703 1.00 0.00 H new ATOM 1875 N LEU A 121 116.128 -10.244 3.617 1.00 0.00 N ATOM 1876 CA LEU A 121 116.746 -8.989 3.088 1.00 0.00 C ATOM 1877 C LEU A 121 116.969 -8.012 4.246 1.00 0.00 C ATOM 1878 O LEU A 121 116.054 -7.702 4.980 1.00 0.00 O ATOM 1879 CB LEU A 121 115.802 -8.355 2.063 1.00 0.00 C ATOM 1880 CG LEU A 121 115.520 -9.351 0.934 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.455 -8.774 0.000 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.805 -9.602 0.141 1.00 0.00 C ATOM 0 H LEU A 121 115.175 -10.142 3.965 1.00 0.00 H new ATOM 0 HA LEU A 121 117.700 -9.219 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.869 -8.064 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.248 -7.447 1.657 1.00 0.00 H new ATOM 0 HG LEU A 121 115.164 -10.289 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.254 -9.482 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.539 -8.592 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.813 -7.836 -0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.604 -10.311 -0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.160 -8.663 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.567 -10.011 0.804 1.00 0.00 H new ATOM 1894 N VAL A 122 118.173 -7.528 4.426 1.00 0.00 N ATOM 1895 CA VAL A 122 118.440 -6.580 5.554 1.00 0.00 C ATOM 1896 C VAL A 122 118.731 -5.174 5.020 1.00 0.00 C ATOM 1897 O VAL A 122 119.542 -4.980 4.139 1.00 0.00 O ATOM 1898 CB VAL A 122 119.651 -7.072 6.354 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.102 -5.971 7.321 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.275 -8.332 7.150 1.00 0.00 C ATOM 0 H VAL A 122 118.981 -7.747 3.843 1.00 0.00 H new ATOM 0 HA VAL A 122 117.557 -6.540 6.192 1.00 0.00 H new ATOM 0 HB VAL A 122 120.463 -7.312 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.963 -6.318 7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.376 -5.080 6.756 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.287 -5.731 8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.140 -8.676 7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.461 -8.099 7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.956 -9.115 6.462 1.00 0.00 H new ATOM 1910 N PHE A 123 118.081 -4.190 5.575 1.00 0.00 N ATOM 1911 CA PHE A 123 118.316 -2.780 5.148 1.00 0.00 C ATOM 1912 C PHE A 123 119.046 -2.066 6.283 1.00 0.00 C ATOM 1913 O PHE A 123 118.553 -2.017 7.383 1.00 0.00 O ATOM 1914 CB PHE A 123 116.962 -2.107 4.888 1.00 0.00 C ATOM 1915 CG PHE A 123 117.115 -0.606 4.904 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.824 0.038 3.888 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.533 0.144 5.935 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.956 1.431 3.902 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.665 1.537 5.950 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.377 2.181 4.933 1.00 0.00 C ATOM 0 H PHE A 123 117.388 -4.303 6.315 1.00 0.00 H new ATOM 0 HA PHE A 123 118.912 -2.739 4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.566 -2.429 3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.243 -2.415 5.647 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.270 -0.539 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 123 115.982 -0.354 6.719 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.505 1.928 3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.218 2.114 6.746 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.480 3.256 4.943 1.00 0.00 H new ATOM 1930 N THR A 124 120.220 -1.530 6.045 1.00 0.00 N ATOM 1931 CA THR A 124 120.956 -0.852 7.162 1.00 0.00 C ATOM 1932 C THR A 124 121.596 0.470 6.714 1.00 0.00 C ATOM 1933 O THR A 124 122.138 0.593 5.628 1.00 0.00 O ATOM 1934 CB THR A 124 122.049 -1.792 7.680 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.523 -1.317 8.932 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.205 -1.838 6.682 1.00 0.00 C ATOM 0 H THR A 124 120.695 -1.531 5.142 1.00 0.00 H new ATOM 0 HA THR A 124 120.237 -0.622 7.948 1.00 0.00 H new ATOM 0 HB THR A 124 121.638 -2.794 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 124 123.221 -1.918 9.267 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.980 -2.508 7.054 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.842 -2.202 5.721 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.619 -0.837 6.558 1.00 0.00 H new ATOM 1944 N VAL A 125 121.563 1.449 7.581 1.00 0.00 N ATOM 1945 CA VAL A 125 122.186 2.767 7.276 1.00 0.00 C ATOM 1946 C VAL A 125 122.974 3.216 8.511 1.00 0.00 C ATOM 1947 O VAL A 125 122.715 2.765 9.616 1.00 0.00 O ATOM 1948 CB VAL A 125 121.099 3.794 6.942 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.079 3.170 5.988 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.391 4.231 8.227 1.00 0.00 C ATOM 0 H VAL A 125 121.124 1.388 8.500 1.00 0.00 H new ATOM 0 HA VAL A 125 122.851 2.682 6.417 1.00 0.00 H new ATOM 0 HB VAL A 125 121.558 4.661 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.307 3.902 5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.580 2.862 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.622 2.301 6.461 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.618 4.961 7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.934 3.364 8.704 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.115 4.680 8.907 1.00 0.00 H new ATOM 1960 N GLU A 126 123.939 4.088 8.342 1.00 0.00 N ATOM 1961 CA GLU A 126 124.745 4.543 9.518 1.00 0.00 C ATOM 1962 C GLU A 126 124.780 6.072 9.577 1.00 0.00 C ATOM 1963 O GLU A 126 124.697 6.747 8.569 1.00 0.00 O ATOM 1964 CB GLU A 126 126.174 4.012 9.382 1.00 0.00 C ATOM 1965 CG GLU A 126 126.167 2.487 9.491 1.00 0.00 C ATOM 1966 CD GLU A 126 127.585 1.951 9.278 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.482 2.760 9.111 1.00 0.00 O ATOM 1968 OE2 GLU A 126 127.747 0.742 9.286 1.00 0.00 O ATOM 0 H GLU A 126 124.202 4.502 7.447 1.00 0.00 H new ATOM 0 HA GLU A 126 124.288 4.163 10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.596 4.316 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.807 4.439 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 126 125.796 2.184 10.470 1.00 0.00 H new ATOM 0 HG3 GLU A 126 125.491 2.062 8.749 1.00 0.00 H new ATOM 1975 N ALA A 127 124.903 6.619 10.757 1.00 0.00 N ATOM 1976 CA ALA A 127 124.947 8.103 10.894 1.00 0.00 C ATOM 1977 C ALA A 127 125.677 8.469 12.189 1.00 0.00 C ATOM 1978 O ALA A 127 126.416 9.440 12.174 1.00 0.00 O ATOM 1979 CB ALA A 127 123.521 8.659 10.939 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.484 7.773 13.173 1.00 0.00 O ATOM 0 H ALA A 127 124.975 6.101 11.633 1.00 0.00 H new ATOM 0 HA ALA A 127 125.474 8.531 10.041 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.556 9.744 11.039 1.00 0.00 H new ATOM 0 HB2 ALA A 127 122.999 8.396 10.019 1.00 0.00 H new ATOM 0 HB3 ALA A 127 122.991 8.233 11.791 1.00 0.00 H new