USER MOD reduce.3.24.130724 H: found=0, std=0, add=1208, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1210 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 21 LYS NZ :NH3+ -136:sc= 0.0868 (180deg=-3.45!) USER MOD Set 1.2: A 34 THR OG1 : rot 81:sc= 1.74 USER MOD Set 2.1: A 5 THR OG1 : rot 117:sc= 1.22 USER MOD Set 2.2: A 8 GLN : amide:sc= 0.707 K(o=1.9,f=-4.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -154:sc= -0.496 USER MOD Single : A 28 THR OG1 : rot 104:sc= 1.05 USER MOD Single : A 29 THR OG1 : rot -130:sc= -0.334 USER MOD Single : A 30 LYS NZ :NH3+ 139:sc= -2.32! (180deg=-5.19!) USER MOD Single : A 36 MET CE :methyl -114:sc= -0.751 (180deg=-2.62) USER MOD Single : A 38 SER OG : rot 79:sc= -0.467 USER MOD Single : A 41 GLN : amide:sc= -5.65! C(o=-5.6!,f=-12!) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0988 USER MOD Single : A 49 GLN : amide:sc= 0.0121 X(o=0.012,f=-0.00042) USER MOD Single : A 51 MET CE :methyl 172:sc= -0.524 (180deg=-0.617) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.624 F(o=0,f=0.62) USER MOD Single : A 60 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 62 THR OG1 : rot 120:sc= 0.343 USER MOD Single : A 70 THR OG1 : rot -12:sc= -1.86! USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -171:sc= 0 (180deg=-0.216) USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= -1.69 (180deg=-1.81) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -27:sc= 0.145 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -2.45! C(o=-2.4!,f=-3.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 19:sc= 0.87 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 153:sc= -1.61 (180deg=-3.56!) USER MOD Single : A 110 THR OG1 : rot 97:sc= 1.25 USER MOD Single : A 111 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.4) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -160:sc= -1.03 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0.839 K(o=0.84,f=0) USER MOD Single : A 137 ASN : amide:sc= 0.404 K(o=0.4,f=-10!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 160:sc= 0 (180deg=-0.0499) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 146 THR OG1 : rot 154:sc= -2.71! USER MOD Single : A 148 LYS NZ :NH3+ -175:sc= 0.0627 (180deg=0.0568) USER MOD Single : B 516 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 520 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 526 CYS SG : rot -43:sc= -5.76! USER MOD Single : B 527 MET CE :methyl -163:sc= -2.28 (180deg=-4.65!) USER MOD Single : B 529 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 61 N THR A 5 3.040 -12.583 11.532 1.00 1.73 N ATOM 62 CA THR A 5 3.217 -11.496 12.502 1.00 2.05 C ATOM 63 C THR A 5 2.585 -10.209 11.951 1.00 1.66 C ATOM 64 O THR A 5 2.697 -9.917 10.762 1.00 1.15 O ATOM 65 CB THR A 5 4.709 -11.275 12.854 1.00 2.63 C ATOM 66 OG1 THR A 5 5.366 -12.540 13.006 1.00 3.14 O ATOM 67 CG2 THR A 5 4.871 -10.478 14.148 1.00 3.26 C ATOM 0 HA THR A 5 2.713 -11.776 13.427 1.00 2.05 H new ATOM 0 HB THR A 5 5.158 -10.708 12.038 1.00 2.63 H new ATOM 0 HG1 THR A 5 6.065 -12.629 12.325 1.00 3.14 H new ATOM 0 HG21 THR A 5 5.931 -10.343 14.362 1.00 3.26 H new ATOM 0 HG22 THR A 5 4.396 -9.503 14.037 1.00 3.26 H new ATOM 0 HG23 THR A 5 4.401 -11.019 14.970 1.00 3.26 H new ATOM 75 N GLU A 6 2.001 -9.430 12.861 1.00 2.22 N ATOM 76 CA GLU A 6 1.235 -8.199 12.561 1.00 2.15 C ATOM 77 C GLU A 6 1.781 -7.298 11.441 1.00 1.73 C ATOM 78 O GLU A 6 1.052 -7.026 10.485 1.00 1.38 O ATOM 79 CB GLU A 6 1.140 -7.373 13.839 1.00 2.80 C ATOM 80 CG GLU A 6 0.136 -7.904 14.852 1.00 3.25 C ATOM 81 CD GLU A 6 0.056 -7.044 16.098 1.00 3.82 C ATOM 82 OE1 GLU A 6 -0.911 -6.264 16.220 1.00 4.39 O ATOM 83 OE2 GLU A 6 0.962 -7.150 16.951 1.00 4.09 O ATOM 0 H GLU A 6 2.043 -9.635 13.859 1.00 2.22 H new ATOM 0 HA GLU A 6 0.273 -8.551 12.190 1.00 2.15 H new ATOM 0 HB2 GLU A 6 2.124 -7.333 14.306 1.00 2.80 H new ATOM 0 HB3 GLU A 6 0.869 -6.350 13.578 1.00 2.80 H new ATOM 0 HG2 GLU A 6 -0.849 -7.958 14.388 1.00 3.25 H new ATOM 0 HG3 GLU A 6 0.412 -8.920 15.133 1.00 3.25 H new ATOM 90 N GLU A 7 3.037 -6.849 11.540 1.00 1.90 N ATOM 91 CA GLU A 7 3.599 -5.942 10.538 1.00 1.65 C ATOM 92 C GLU A 7 4.137 -6.650 9.307 1.00 1.44 C ATOM 93 O GLU A 7 4.326 -6.018 8.262 1.00 1.23 O ATOM 94 CB GLU A 7 4.677 -5.044 11.152 1.00 2.06 C ATOM 95 CG GLU A 7 4.129 -3.963 12.072 1.00 2.28 C ATOM 96 CD GLU A 7 5.220 -3.091 12.662 1.00 2.65 C ATOM 97 OE1 GLU A 7 5.732 -3.433 13.748 1.00 3.11 O ATOM 98 OE2 GLU A 7 5.563 -2.065 12.036 1.00 2.91 O ATOM 0 H GLU A 7 3.676 -7.096 12.295 1.00 1.90 H new ATOM 0 HA GLU A 7 2.767 -5.325 10.199 1.00 1.65 H new ATOM 0 HB2 GLU A 7 5.376 -5.664 11.713 1.00 2.06 H new ATOM 0 HB3 GLU A 7 5.243 -4.571 10.349 1.00 2.06 H new ATOM 0 HG2 GLU A 7 3.430 -3.338 11.516 1.00 2.28 H new ATOM 0 HG3 GLU A 7 3.566 -4.430 12.880 1.00 2.28 H new ATOM 105 N GLN A 8 4.380 -7.950 9.424 1.00 1.67 N ATOM 106 CA GLN A 8 4.871 -8.743 8.299 1.00 1.66 C ATOM 107 C GLN A 8 3.722 -8.991 7.317 1.00 1.23 C ATOM 108 O GLN A 8 3.894 -8.866 6.102 1.00 1.28 O ATOM 109 CB GLN A 8 5.479 -10.058 8.799 1.00 1.98 C ATOM 110 CG GLN A 8 6.560 -9.853 9.855 1.00 2.48 C ATOM 111 CD GLN A 8 7.349 -11.116 10.143 1.00 2.88 C ATOM 112 OE1 GLN A 8 6.990 -11.904 11.014 1.00 3.21 O ATOM 113 NE2 GLN A 8 8.436 -11.313 9.405 1.00 3.41 N ATOM 0 H GLN A 8 4.246 -8.479 10.286 1.00 1.67 H new ATOM 0 HA GLN A 8 5.659 -8.198 7.779 1.00 1.66 H new ATOM 0 HB2 GLN A 8 4.688 -10.683 9.214 1.00 1.98 H new ATOM 0 HB3 GLN A 8 5.903 -10.600 7.954 1.00 1.98 H new ATOM 0 HG2 GLN A 8 7.243 -9.072 9.522 1.00 2.48 H new ATOM 0 HG3 GLN A 8 6.098 -9.501 10.777 1.00 2.48 H new ATOM 0 HE21 GLN A 8 8.698 -10.633 8.692 1.00 3.41 H new ATOM 0 HE22 GLN A 8 9.008 -12.145 9.552 1.00 3.41 H new ATOM 122 N ILE A 9 2.553 -9.339 7.874 1.00 0.97 N ATOM 123 CA ILE A 9 1.332 -9.566 7.086 1.00 0.68 C ATOM 124 C ILE A 9 0.528 -8.277 6.893 1.00 0.57 C ATOM 125 O ILE A 9 -0.344 -8.223 6.026 1.00 0.67 O ATOM 126 CB ILE A 9 0.387 -10.674 7.649 1.00 0.76 C ATOM 127 CG1 ILE A 9 0.606 -10.933 9.124 1.00 1.22 C ATOM 128 CG2 ILE A 9 0.525 -11.966 6.862 1.00 1.14 C ATOM 129 CD1 ILE A 9 -0.204 -9.993 9.959 1.00 2.46 C ATOM 0 H ILE A 9 2.427 -9.471 8.878 1.00 0.97 H new ATOM 0 HA ILE A 9 1.706 -9.923 6.126 1.00 0.68 H new ATOM 0 HB ILE A 9 -0.629 -10.297 7.533 1.00 0.76 H new ATOM 0 HG12 ILE A 9 0.334 -11.962 9.361 1.00 1.22 H new ATOM 0 HG13 ILE A 9 1.663 -10.819 9.364 1.00 1.22 H new ATOM 0 HG21 ILE A 9 -0.145 -12.718 7.278 1.00 1.14 H new ATOM 0 HG22 ILE A 9 0.266 -11.786 5.819 1.00 1.14 H new ATOM 0 HG23 ILE A 9 1.553 -12.322 6.924 1.00 1.14 H new ATOM 0 HD11 ILE A 9 -0.028 -10.200 11.015 1.00 2.46 H new ATOM 0 HD12 ILE A 9 0.087 -8.966 9.738 1.00 2.46 H new ATOM 0 HD13 ILE A 9 -1.262 -10.126 9.734 1.00 2.46 H new ATOM 141 N ALA A 10 0.846 -7.238 7.696 1.00 0.59 N ATOM 142 CA ALA A 10 0.140 -5.932 7.663 1.00 0.64 C ATOM 143 C ALA A 10 -0.119 -5.332 6.277 1.00 0.58 C ATOM 144 O ALA A 10 -1.246 -4.917 5.994 1.00 0.70 O ATOM 145 CB ALA A 10 0.925 -4.891 8.435 1.00 0.80 C ATOM 0 H ALA A 10 1.597 -7.278 8.385 1.00 0.59 H new ATOM 0 HA ALA A 10 -0.830 -6.166 8.102 1.00 0.64 H new ATOM 0 HB1 ALA A 10 0.396 -3.938 8.403 1.00 0.80 H new ATOM 0 HB2 ALA A 10 1.033 -5.211 9.471 1.00 0.80 H new ATOM 0 HB3 ALA A 10 1.912 -4.773 7.987 1.00 0.80 H new ATOM 151 N GLU A 11 0.900 -5.332 5.404 1.00 0.50 N ATOM 152 CA GLU A 11 0.796 -4.659 4.106 1.00 0.51 C ATOM 153 C GLU A 11 -0.183 -5.367 3.182 1.00 0.49 C ATOM 154 O GLU A 11 -1.195 -4.778 2.804 1.00 0.50 O ATOM 155 CB GLU A 11 2.175 -4.507 3.436 1.00 0.59 C ATOM 156 CG GLU A 11 2.164 -3.602 2.197 1.00 0.64 C ATOM 157 CD GLU A 11 2.018 -4.383 0.905 1.00 0.88 C ATOM 158 OE1 GLU A 11 0.868 -4.598 0.468 1.00 1.48 O ATOM 159 OE2 GLU A 11 3.054 -4.779 0.331 1.00 1.48 O ATOM 0 H GLU A 11 1.797 -5.787 5.574 1.00 0.50 H new ATOM 0 HA GLU A 11 0.406 -3.659 4.296 1.00 0.51 H new ATOM 0 HB2 GLU A 11 2.880 -4.103 4.163 1.00 0.59 H new ATOM 0 HB3 GLU A 11 2.541 -5.493 3.151 1.00 0.59 H new ATOM 0 HG2 GLU A 11 1.344 -2.888 2.280 1.00 0.64 H new ATOM 0 HG3 GLU A 11 3.088 -3.024 2.166 1.00 0.64 H new ATOM 166 N PHE A 12 0.103 -6.634 2.834 1.00 0.52 N ATOM 167 CA PHE A 12 -0.792 -7.387 1.959 1.00 0.53 C ATOM 168 C PHE A 12 -2.140 -7.621 2.634 1.00 0.49 C ATOM 169 O PHE A 12 -3.125 -7.903 1.952 1.00 0.54 O ATOM 170 CB PHE A 12 -0.179 -8.695 1.402 1.00 0.63 C ATOM 171 CG PHE A 12 0.653 -9.529 2.345 1.00 1.22 C ATOM 172 CD1 PHE A 12 0.205 -10.773 2.758 1.00 2.05 C ATOM 173 CD2 PHE A 12 1.900 -9.095 2.774 1.00 2.14 C ATOM 174 CE1 PHE A 12 0.979 -11.564 3.582 1.00 3.03 C ATOM 175 CE2 PHE A 12 2.674 -9.879 3.605 1.00 3.14 C ATOM 176 CZ PHE A 12 2.214 -11.116 4.008 1.00 3.44 C ATOM 0 H PHE A 12 0.931 -7.144 3.141 1.00 0.52 H new ATOM 0 HA PHE A 12 -0.953 -6.764 1.079 1.00 0.53 H new ATOM 0 HB2 PHE A 12 -0.993 -9.317 1.031 1.00 0.63 H new ATOM 0 HB3 PHE A 12 0.441 -8.437 0.544 1.00 0.63 H new ATOM 0 HD1 PHE A 12 -0.761 -11.128 2.431 1.00 2.05 H new ATOM 0 HD2 PHE A 12 2.269 -8.132 2.453 1.00 2.14 H new ATOM 0 HE1 PHE A 12 0.619 -12.533 3.894 1.00 3.03 H new ATOM 0 HE2 PHE A 12 3.638 -9.525 3.939 1.00 3.14 H new ATOM 0 HZ PHE A 12 2.819 -11.733 4.656 1.00 3.44 H new ATOM 186 N LYS A 13 -2.181 -7.507 3.986 1.00 0.47 N ATOM 187 CA LYS A 13 -3.428 -7.626 4.726 1.00 0.48 C ATOM 188 C LYS A 13 -4.359 -6.483 4.440 1.00 0.48 C ATOM 189 O LYS A 13 -5.504 -6.672 4.032 1.00 0.52 O ATOM 190 CB LYS A 13 -3.203 -7.602 6.235 1.00 0.51 C ATOM 191 CG LYS A 13 -4.364 -8.193 6.999 1.00 0.57 C ATOM 192 CD LYS A 13 -4.495 -9.671 6.669 1.00 0.60 C ATOM 193 CE LYS A 13 -5.940 -10.154 6.718 1.00 0.66 C ATOM 194 NZ LYS A 13 -6.477 -10.191 8.108 1.00 1.21 N ATOM 0 H LYS A 13 -1.361 -7.334 4.568 1.00 0.47 H new ATOM 0 HA LYS A 13 -3.854 -8.577 4.405 1.00 0.48 H new ATOM 0 HB2 LYS A 13 -2.295 -8.156 6.473 1.00 0.51 H new ATOM 0 HB3 LYS A 13 -3.043 -6.574 6.560 1.00 0.51 H new ATOM 0 HG2 LYS A 13 -4.211 -8.062 8.070 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -5.285 -7.670 6.742 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -4.087 -9.856 5.675 1.00 0.60 H new ATOM 0 HD3 LYS A 13 -3.897 -10.251 7.372 1.00 0.60 H new ATOM 0 HE2 LYS A 13 -6.561 -9.498 6.108 1.00 0.66 H new ATOM 0 HE3 LYS A 13 -6.003 -11.150 6.280 1.00 0.66 H new ATOM 0 HZ1 LYS A 13 -7.462 -10.525 8.091 1.00 1.21 H new ATOM 0 HZ2 LYS A 13 -5.902 -10.837 8.685 1.00 1.21 H new ATOM 0 HZ3 LYS A 13 -6.443 -9.236 8.519 1.00 1.21 H new ATOM 208 N GLU A 14 -3.860 -5.296 4.712 1.00 0.47 N ATOM 209 CA GLU A 14 -4.633 -4.112 4.531 1.00 0.49 C ATOM 210 C GLU A 14 -4.852 -3.860 3.051 1.00 0.49 C ATOM 211 O GLU A 14 -5.855 -3.272 2.637 1.00 0.54 O ATOM 212 CB GLU A 14 -3.941 -2.921 5.185 1.00 0.50 C ATOM 213 CG GLU A 14 -4.412 -2.617 6.604 1.00 0.52 C ATOM 214 CD GLU A 14 -3.823 -3.558 7.642 1.00 1.25 C ATOM 215 OE1 GLU A 14 -2.749 -3.238 8.191 1.00 1.99 O ATOM 216 OE2 GLU A 14 -4.439 -4.613 7.903 1.00 1.95 O ATOM 0 H GLU A 14 -2.915 -5.138 5.061 1.00 0.47 H new ATOM 0 HA GLU A 14 -5.603 -4.245 5.009 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -2.867 -3.106 5.204 1.00 0.50 H new ATOM 0 HB3 GLU A 14 -4.101 -2.039 4.566 1.00 0.50 H new ATOM 0 HG2 GLU A 14 -4.143 -1.592 6.858 1.00 0.52 H new ATOM 0 HG3 GLU A 14 -5.500 -2.680 6.641 1.00 0.52 H new ATOM 223 N ALA A 15 -3.873 -4.328 2.272 1.00 0.46 N ATOM 224 CA ALA A 15 -3.909 -4.240 0.826 1.00 0.48 C ATOM 225 C ALA A 15 -4.740 -5.375 0.234 1.00 0.50 C ATOM 226 O ALA A 15 -4.902 -5.503 -0.985 1.00 0.55 O ATOM 227 CB ALA A 15 -2.505 -4.225 0.236 1.00 0.50 C ATOM 0 H ALA A 15 -3.034 -4.779 2.637 1.00 0.46 H new ATOM 0 HA ALA A 15 -4.387 -3.297 0.562 1.00 0.48 H new ATOM 0 HB1 ALA A 15 -2.567 -4.158 -0.850 1.00 0.50 H new ATOM 0 HB2 ALA A 15 -1.958 -3.365 0.621 1.00 0.50 H new ATOM 0 HB3 ALA A 15 -1.984 -5.141 0.514 1.00 0.50 H new ATOM 233 N PHE A 16 -5.265 -6.175 1.150 1.00 0.49 N ATOM 234 CA PHE A 16 -6.124 -7.322 0.836 1.00 0.53 C ATOM 235 C PHE A 16 -7.562 -6.833 0.710 1.00 0.57 C ATOM 236 O PHE A 16 -8.311 -7.295 -0.154 1.00 0.60 O ATOM 237 CB PHE A 16 -6.025 -8.424 1.911 1.00 0.55 C ATOM 238 CG PHE A 16 -6.357 -9.801 1.401 1.00 0.56 C ATOM 239 CD1 PHE A 16 -5.366 -10.619 0.880 1.00 1.27 C ATOM 240 CD2 PHE A 16 -7.658 -10.276 1.445 1.00 1.27 C ATOM 241 CE1 PHE A 16 -5.668 -11.884 0.412 1.00 1.31 C ATOM 242 CE2 PHE A 16 -7.965 -11.540 0.979 1.00 1.27 C ATOM 243 CZ PHE A 16 -6.969 -12.345 0.461 1.00 0.62 C ATOM 0 H PHE A 16 -5.108 -6.049 2.150 1.00 0.49 H new ATOM 0 HA PHE A 16 -5.791 -7.763 -0.104 1.00 0.53 H new ATOM 0 HB2 PHE A 16 -5.014 -8.431 2.318 1.00 0.55 H new ATOM 0 HB3 PHE A 16 -6.698 -8.179 2.733 1.00 0.55 H new ATOM 0 HD1 PHE A 16 -4.347 -10.264 0.839 1.00 1.27 H new ATOM 0 HD2 PHE A 16 -8.441 -9.651 1.848 1.00 1.27 H new ATOM 0 HE1 PHE A 16 -4.887 -12.511 0.008 1.00 1.31 H new ATOM 0 HE2 PHE A 16 -8.983 -11.898 1.020 1.00 1.27 H new ATOM 0 HZ PHE A 16 -7.207 -13.333 0.095 1.00 0.62 H new ATOM 253 N SER A 17 -7.930 -5.881 1.590 1.00 0.61 N ATOM 254 CA SER A 17 -9.265 -5.283 1.579 1.00 0.67 C ATOM 255 C SER A 17 -9.344 -4.137 0.564 1.00 0.74 C ATOM 256 O SER A 17 -10.436 -3.688 0.206 1.00 0.78 O ATOM 257 CB SER A 17 -9.649 -4.790 2.976 1.00 0.74 C ATOM 258 OG SER A 17 -8.666 -3.910 3.498 1.00 1.41 O ATOM 0 H SER A 17 -7.315 -5.514 2.316 1.00 0.61 H new ATOM 0 HA SER A 17 -9.976 -6.053 1.278 1.00 0.67 H new ATOM 0 HB2 SER A 17 -10.611 -4.280 2.933 1.00 0.74 H new ATOM 0 HB3 SER A 17 -9.770 -5.642 3.645 1.00 0.74 H new ATOM 0 HG SER A 17 -8.937 -3.609 4.390 1.00 1.41 H new ATOM 264 N LEU A 18 -8.163 -3.674 0.115 1.00 0.79 N ATOM 265 CA LEU A 18 -8.040 -2.591 -0.884 1.00 0.91 C ATOM 266 C LEU A 18 -8.789 -2.934 -2.175 1.00 0.81 C ATOM 267 O LEU A 18 -9.379 -2.065 -2.823 1.00 0.79 O ATOM 268 CB LEU A 18 -6.560 -2.383 -1.268 1.00 1.26 C ATOM 269 CG LEU A 18 -5.778 -1.216 -0.640 1.00 0.69 C ATOM 270 CD1 LEU A 18 -4.400 -1.153 -1.271 1.00 1.59 C ATOM 271 CD2 LEU A 18 -6.457 0.128 -0.839 1.00 0.83 C ATOM 0 H LEU A 18 -7.265 -4.039 0.433 1.00 0.79 H new ATOM 0 HA LEU A 18 -8.462 -1.694 -0.430 1.00 0.91 H new ATOM 0 HB2 LEU A 18 -6.026 -3.303 -1.027 1.00 1.26 H new ATOM 0 HB3 LEU A 18 -6.516 -2.263 -2.350 1.00 1.26 H new ATOM 0 HG LEU A 18 -5.725 -1.405 0.432 1.00 0.69 H new ATOM 0 HD11 LEU A 18 -3.837 -0.329 -0.833 1.00 1.59 H new ATOM 0 HD12 LEU A 18 -3.873 -2.090 -1.089 1.00 1.59 H new ATOM 0 HD13 LEU A 18 -4.498 -0.995 -2.345 1.00 1.59 H new ATOM 0 HD21 LEU A 18 -5.858 0.911 -0.374 1.00 0.83 H new ATOM 0 HD22 LEU A 18 -6.556 0.331 -1.905 1.00 0.83 H new ATOM 0 HD23 LEU A 18 -7.446 0.108 -0.381 1.00 0.83 H new ATOM 283 N PHE A 19 -8.742 -4.220 -2.514 1.00 0.84 N ATOM 284 CA PHE A 19 -9.340 -4.752 -3.731 1.00 0.86 C ATOM 285 C PHE A 19 -10.607 -5.537 -3.447 1.00 0.75 C ATOM 286 O PHE A 19 -11.617 -5.364 -4.115 1.00 0.79 O ATOM 287 CB PHE A 19 -8.358 -5.737 -4.393 1.00 1.02 C ATOM 288 CG PHE A 19 -6.988 -5.195 -4.769 1.00 0.85 C ATOM 289 CD1 PHE A 19 -6.535 -5.279 -6.077 1.00 1.41 C ATOM 290 CD2 PHE A 19 -6.145 -4.636 -3.815 1.00 1.53 C ATOM 291 CE1 PHE A 19 -5.278 -4.817 -6.423 1.00 1.60 C ATOM 292 CE2 PHE A 19 -4.893 -4.166 -4.159 1.00 1.64 C ATOM 293 CZ PHE A 19 -4.458 -4.258 -5.464 1.00 1.28 C ATOM 0 H PHE A 19 -8.282 -4.929 -1.943 1.00 0.84 H new ATOM 0 HA PHE A 19 -9.569 -3.899 -4.370 1.00 0.86 H new ATOM 0 HB2 PHE A 19 -8.215 -6.580 -3.717 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -8.827 -6.129 -5.296 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -7.172 -5.711 -6.835 1.00 1.41 H new ATOM 0 HD2 PHE A 19 -6.475 -4.568 -2.789 1.00 1.53 H new ATOM 0 HE1 PHE A 19 -4.938 -4.894 -7.445 1.00 1.60 H new ATOM 0 HE2 PHE A 19 -4.255 -3.727 -3.406 1.00 1.64 H new ATOM 0 HZ PHE A 19 -3.478 -3.894 -5.735 1.00 1.28 H new ATOM 303 N ASP A 20 -10.538 -6.368 -2.413 1.00 0.68 N ATOM 304 CA ASP A 20 -11.606 -7.293 -2.061 1.00 0.63 C ATOM 305 C ASP A 20 -12.977 -6.618 -1.751 1.00 0.66 C ATOM 306 O ASP A 20 -13.216 -6.126 -0.643 1.00 0.74 O ATOM 307 CB ASP A 20 -11.089 -8.244 -0.929 1.00 0.60 C ATOM 308 CG ASP A 20 -11.795 -8.123 0.420 1.00 1.67 C ATOM 309 OD1 ASP A 20 -12.584 -9.026 0.763 1.00 2.45 O ATOM 310 OD2 ASP A 20 -11.554 -7.125 1.128 1.00 2.31 O ATOM 0 H ASP A 20 -9.731 -6.418 -1.791 1.00 0.68 H new ATOM 0 HA ASP A 20 -11.845 -7.890 -2.941 1.00 0.63 H new ATOM 0 HB2 ASP A 20 -11.183 -9.273 -1.275 1.00 0.60 H new ATOM 0 HB3 ASP A 20 -10.026 -8.054 -0.779 1.00 0.60 H new ATOM 315 N LYS A 21 -13.845 -6.549 -2.787 1.00 0.73 N ATOM 316 CA LYS A 21 -15.222 -6.025 -2.639 1.00 0.80 C ATOM 317 C LYS A 21 -16.108 -7.173 -2.202 1.00 0.82 C ATOM 318 O LYS A 21 -16.886 -7.076 -1.249 1.00 0.91 O ATOM 319 CB LYS A 21 -15.774 -5.445 -3.941 1.00 1.01 C ATOM 320 CG LYS A 21 -15.150 -4.136 -4.336 1.00 0.97 C ATOM 321 CD LYS A 21 -14.033 -4.397 -5.307 1.00 0.95 C ATOM 322 CE LYS A 21 -13.183 -3.158 -5.548 1.00 1.05 C ATOM 323 NZ LYS A 21 -13.745 -2.305 -6.631 1.00 1.63 N ATOM 0 H LYS A 21 -13.616 -6.850 -3.734 1.00 0.73 H new ATOM 0 HA LYS A 21 -15.204 -5.217 -1.907 1.00 0.80 H new ATOM 0 HB2 LYS A 21 -15.620 -6.167 -4.743 1.00 1.01 H new ATOM 0 HB3 LYS A 21 -16.850 -5.307 -3.839 1.00 1.01 H new ATOM 0 HG2 LYS A 21 -15.897 -3.485 -4.789 1.00 0.97 H new ATOM 0 HG3 LYS A 21 -14.769 -3.620 -3.455 1.00 0.97 H new ATOM 0 HD2 LYS A 21 -13.402 -5.200 -4.926 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -14.449 -4.740 -6.254 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -13.115 -2.579 -4.627 1.00 1.05 H new ATOM 0 HE3 LYS A 21 -12.169 -3.458 -5.811 1.00 1.05 H new ATOM 0 HZ1 LYS A 21 -12.978 -1.991 -7.259 1.00 1.63 H new ATOM 0 HZ2 LYS A 21 -14.439 -2.852 -7.179 1.00 1.63 H new ATOM 0 HZ3 LYS A 21 -14.211 -1.475 -6.212 1.00 1.63 H new ATOM 337 N ASP A 22 -15.949 -8.263 -2.951 1.00 0.85 N ATOM 338 CA ASP A 22 -16.643 -9.527 -2.697 1.00 0.97 C ATOM 339 C ASP A 22 -15.823 -10.317 -1.668 1.00 0.88 C ATOM 340 O ASP A 22 -16.356 -10.773 -0.652 1.00 1.02 O ATOM 341 CB ASP A 22 -16.815 -10.319 -4.004 1.00 1.12 C ATOM 342 CG ASP A 22 -17.894 -11.385 -3.913 1.00 1.36 C ATOM 343 OD1 ASP A 22 -19.064 -11.073 -4.223 1.00 2.09 O ATOM 344 OD2 ASP A 22 -17.569 -12.528 -3.532 1.00 1.48 O ATOM 0 H ASP A 22 -15.329 -8.295 -3.760 1.00 0.85 H new ATOM 0 HA ASP A 22 -17.642 -9.341 -2.304 1.00 0.97 H new ATOM 0 HB2 ASP A 22 -17.061 -9.629 -4.811 1.00 1.12 H new ATOM 0 HB3 ASP A 22 -15.867 -10.790 -4.265 1.00 1.12 H new ATOM 349 N GLY A 23 -14.517 -10.467 -1.960 1.00 0.75 N ATOM 350 CA GLY A 23 -13.587 -11.122 -1.050 1.00 0.75 C ATOM 351 C GLY A 23 -13.798 -12.599 -0.816 1.00 0.85 C ATOM 352 O GLY A 23 -13.939 -13.033 0.331 1.00 1.01 O ATOM 0 H GLY A 23 -14.090 -10.138 -2.826 1.00 0.75 H new ATOM 0 HA2 GLY A 23 -12.577 -10.979 -1.434 1.00 0.75 H new ATOM 0 HA3 GLY A 23 -13.637 -10.614 -0.087 1.00 0.75 H new ATOM 356 N ASP A 24 -13.823 -13.370 -1.903 1.00 0.82 N ATOM 357 CA ASP A 24 -13.935 -14.835 -1.832 1.00 0.95 C ATOM 358 C ASP A 24 -12.617 -15.387 -1.264 1.00 0.87 C ATOM 359 O ASP A 24 -12.425 -16.591 -1.064 1.00 0.96 O ATOM 360 CB ASP A 24 -14.116 -15.359 -3.239 1.00 1.00 C ATOM 361 CG ASP A 24 -14.682 -16.769 -3.299 1.00 1.41 C ATOM 362 OD1 ASP A 24 -15.922 -16.909 -3.341 1.00 1.96 O ATOM 363 OD2 ASP A 24 -13.884 -17.729 -3.304 1.00 1.93 O ATOM 0 H ASP A 24 -13.767 -13.004 -2.854 1.00 0.82 H new ATOM 0 HA ASP A 24 -14.774 -15.134 -1.204 1.00 0.95 H new ATOM 0 HB2 ASP A 24 -14.779 -14.688 -3.785 1.00 1.00 H new ATOM 0 HB3 ASP A 24 -13.153 -15.341 -3.750 1.00 1.00 H new ATOM 368 N GLY A 25 -11.747 -14.422 -1.016 1.00 0.74 N ATOM 369 CA GLY A 25 -10.417 -14.625 -0.476 1.00 0.72 C ATOM 370 C GLY A 25 -9.359 -14.352 -1.519 1.00 0.65 C ATOM 371 O GLY A 25 -8.178 -14.654 -1.321 1.00 0.69 O ATOM 0 H GLY A 25 -11.958 -13.440 -1.193 1.00 0.74 H new ATOM 0 HA2 GLY A 25 -10.265 -13.969 0.381 1.00 0.72 H new ATOM 0 HA3 GLY A 25 -10.320 -15.649 -0.115 1.00 0.72 H new ATOM 375 N THR A 26 -9.809 -13.774 -2.635 1.00 0.62 N ATOM 376 CA THR A 26 -8.946 -13.412 -3.740 1.00 0.58 C ATOM 377 C THR A 26 -9.168 -11.977 -4.210 1.00 0.57 C ATOM 378 O THR A 26 -10.072 -11.276 -3.744 1.00 0.64 O ATOM 379 CB THR A 26 -9.179 -14.336 -4.938 1.00 0.60 C ATOM 380 OG1 THR A 26 -10.570 -14.342 -5.293 1.00 0.63 O ATOM 381 CG2 THR A 26 -8.734 -15.748 -4.618 1.00 0.64 C ATOM 0 H THR A 26 -10.791 -13.546 -2.789 1.00 0.62 H new ATOM 0 HA THR A 26 -7.927 -13.511 -3.367 1.00 0.58 H new ATOM 0 HB THR A 26 -8.592 -13.962 -5.777 1.00 0.60 H new ATOM 0 HG1 THR A 26 -10.790 -15.186 -5.740 1.00 0.63 H new ATOM 0 HG21 THR A 26 -8.908 -16.389 -5.482 1.00 0.64 H new ATOM 0 HG22 THR A 26 -7.672 -15.748 -4.374 1.00 0.64 H new ATOM 0 HG23 THR A 26 -9.302 -16.124 -3.767 1.00 0.64 H new ATOM 389 N ILE A 27 -8.314 -11.576 -5.145 1.00 0.54 N ATOM 390 CA ILE A 27 -8.333 -10.287 -5.760 1.00 0.53 C ATOM 391 C ILE A 27 -8.683 -10.400 -7.204 1.00 0.53 C ATOM 392 O ILE A 27 -8.090 -11.168 -7.938 1.00 0.51 O ATOM 393 CB ILE A 27 -6.982 -9.622 -5.585 1.00 0.49 C ATOM 394 CG1 ILE A 27 -7.000 -8.968 -4.238 1.00 0.52 C ATOM 395 CG2 ILE A 27 -6.647 -8.616 -6.690 1.00 0.47 C ATOM 396 CD1 ILE A 27 -6.113 -9.645 -3.216 1.00 0.54 C ATOM 0 H ILE A 27 -7.567 -12.175 -5.497 1.00 0.54 H new ATOM 0 HA ILE A 27 -9.095 -9.673 -5.279 1.00 0.53 H new ATOM 0 HB ILE A 27 -6.196 -10.374 -5.657 1.00 0.49 H new ATOM 0 HG12 ILE A 27 -6.687 -7.929 -4.345 1.00 0.52 H new ATOM 0 HG13 ILE A 27 -8.024 -8.956 -3.865 1.00 0.52 H new ATOM 0 HG21 ILE A 27 -5.666 -8.180 -6.500 1.00 0.47 H new ATOM 0 HG22 ILE A 27 -6.637 -9.124 -7.654 1.00 0.47 H new ATOM 0 HG23 ILE A 27 -7.399 -7.827 -6.704 1.00 0.47 H new ATOM 0 HD11 ILE A 27 -6.180 -9.113 -2.267 1.00 0.54 H new ATOM 0 HD12 ILE A 27 -6.438 -10.676 -3.078 1.00 0.54 H new ATOM 0 HD13 ILE A 27 -5.081 -9.634 -3.566 1.00 0.54 H new ATOM 408 N THR A 28 -9.597 -9.569 -7.599 1.00 0.59 N ATOM 409 CA THR A 28 -10.075 -9.574 -8.961 1.00 0.61 C ATOM 410 C THR A 28 -9.548 -8.394 -9.753 1.00 0.58 C ATOM 411 O THR A 28 -8.958 -7.451 -9.218 1.00 0.57 O ATOM 412 CB THR A 28 -11.611 -9.591 -8.991 1.00 0.69 C ATOM 413 OG1 THR A 28 -12.135 -10.138 -7.772 1.00 0.75 O ATOM 414 CG2 THR A 28 -12.149 -10.398 -10.171 1.00 0.73 C ATOM 0 H THR A 28 -10.034 -8.871 -6.998 1.00 0.59 H new ATOM 0 HA THR A 28 -9.697 -10.481 -9.433 1.00 0.61 H new ATOM 0 HB THR A 28 -11.936 -8.557 -9.102 1.00 0.69 H new ATOM 0 HG1 THR A 28 -12.479 -9.413 -7.209 1.00 0.75 H new ATOM 0 HG21 THR A 28 -13.239 -10.384 -10.155 1.00 0.73 H new ATOM 0 HG22 THR A 28 -11.795 -9.959 -11.104 1.00 0.73 H new ATOM 0 HG23 THR A 28 -11.798 -11.427 -10.098 1.00 0.73 H new ATOM 422 N THR A 29 -9.793 -8.499 -11.046 1.00 0.58 N ATOM 423 CA THR A 29 -9.371 -7.531 -12.048 1.00 0.57 C ATOM 424 C THR A 29 -10.103 -6.184 -11.913 1.00 0.62 C ATOM 425 O THR A 29 -9.451 -5.136 -11.919 1.00 0.64 O ATOM 426 CB THR A 29 -9.516 -8.099 -13.500 1.00 0.58 C ATOM 427 OG1 THR A 29 -10.644 -7.531 -14.182 1.00 0.66 O ATOM 428 CG2 THR A 29 -9.630 -9.613 -13.543 1.00 0.59 C ATOM 0 H THR A 29 -10.308 -9.285 -11.443 1.00 0.58 H new ATOM 0 HA THR A 29 -8.314 -7.343 -11.862 1.00 0.57 H new ATOM 0 HB THR A 29 -8.595 -7.813 -14.008 1.00 0.58 H new ATOM 0 HG1 THR A 29 -11.184 -8.248 -14.574 1.00 0.66 H new ATOM 0 HG21 THR A 29 -9.728 -9.941 -14.578 1.00 0.59 H new ATOM 0 HG22 THR A 29 -8.737 -10.058 -13.104 1.00 0.59 H new ATOM 0 HG23 THR A 29 -10.507 -9.928 -12.978 1.00 0.59 H new ATOM 436 N LYS A 30 -11.450 -6.202 -11.765 1.00 0.77 N ATOM 437 CA LYS A 30 -12.227 -4.945 -11.620 1.00 0.85 C ATOM 438 C LYS A 30 -11.771 -4.144 -10.391 1.00 0.84 C ATOM 439 O LYS A 30 -11.940 -2.925 -10.338 1.00 0.93 O ATOM 440 CB LYS A 30 -13.754 -5.201 -11.568 1.00 1.01 C ATOM 441 CG LYS A 30 -14.266 -6.059 -10.400 1.00 1.06 C ATOM 442 CD LYS A 30 -14.179 -7.546 -10.717 1.00 1.10 C ATOM 443 CE LYS A 30 -14.941 -8.383 -9.699 1.00 1.16 C ATOM 444 NZ LYS A 30 -15.319 -9.714 -10.249 1.00 1.66 N ATOM 0 H LYS A 30 -12.012 -7.053 -11.743 1.00 0.77 H new ATOM 0 HA LYS A 30 -12.026 -4.351 -12.512 1.00 0.85 H new ATOM 0 HB2 LYS A 30 -14.261 -4.237 -11.531 1.00 1.01 H new ATOM 0 HB3 LYS A 30 -14.051 -5.681 -12.500 1.00 1.01 H new ATOM 0 HG2 LYS A 30 -13.682 -5.842 -9.505 1.00 1.06 H new ATOM 0 HG3 LYS A 30 -15.300 -5.793 -10.178 1.00 1.06 H new ATOM 0 HD2 LYS A 30 -14.581 -7.730 -11.713 1.00 1.10 H new ATOM 0 HD3 LYS A 30 -13.134 -7.854 -10.733 1.00 1.10 H new ATOM 0 HE2 LYS A 30 -14.328 -8.519 -8.808 1.00 1.16 H new ATOM 0 HE3 LYS A 30 -15.839 -7.849 -9.389 1.00 1.16 H new ATOM 0 HZ1 LYS A 30 -15.176 -10.443 -9.522 1.00 1.66 H new ATOM 0 HZ2 LYS A 30 -16.319 -9.701 -10.534 1.00 1.66 H new ATOM 0 HZ3 LYS A 30 -14.726 -9.929 -11.076 1.00 1.66 H new ATOM 458 N GLU A 31 -11.189 -4.862 -9.423 1.00 0.82 N ATOM 459 CA GLU A 31 -10.663 -4.284 -8.190 1.00 0.87 C ATOM 460 C GLU A 31 -9.313 -3.626 -8.440 1.00 0.78 C ATOM 461 O GLU A 31 -9.044 -2.516 -7.976 1.00 0.81 O ATOM 462 CB GLU A 31 -10.464 -5.372 -7.128 1.00 1.02 C ATOM 463 CG GLU A 31 -11.667 -6.286 -6.909 1.00 1.82 C ATOM 464 CD GLU A 31 -11.369 -7.529 -6.077 1.00 2.69 C ATOM 465 OE1 GLU A 31 -12.318 -8.297 -5.813 1.00 3.34 O ATOM 466 OE2 GLU A 31 -10.199 -7.740 -5.687 1.00 3.27 O ATOM 0 H GLU A 31 -11.071 -5.874 -9.479 1.00 0.82 H new ATOM 0 HA GLU A 31 -11.384 -3.544 -7.842 1.00 0.87 H new ATOM 0 HB2 GLU A 31 -9.608 -5.984 -7.412 1.00 1.02 H new ATOM 0 HB3 GLU A 31 -10.213 -4.893 -6.181 1.00 1.02 H new ATOM 0 HG2 GLU A 31 -12.457 -5.716 -6.419 1.00 1.82 H new ATOM 0 HG3 GLU A 31 -12.053 -6.597 -7.880 1.00 1.82 H new ATOM 473 N LEU A 32 -8.483 -4.353 -9.197 1.00 0.68 N ATOM 474 CA LEU A 32 -7.127 -3.953 -9.569 1.00 0.60 C ATOM 475 C LEU A 32 -7.076 -2.564 -10.188 1.00 0.66 C ATOM 476 O LEU A 32 -6.087 -1.853 -10.010 1.00 0.72 O ATOM 477 CB LEU A 32 -6.570 -5.065 -10.481 1.00 0.54 C ATOM 478 CG LEU A 32 -5.130 -4.963 -11.027 1.00 0.46 C ATOM 479 CD1 LEU A 32 -4.142 -4.323 -10.050 1.00 0.49 C ATOM 480 CD2 LEU A 32 -4.639 -6.350 -11.403 1.00 0.44 C ATOM 0 H LEU A 32 -8.747 -5.262 -9.577 1.00 0.68 H new ATOM 0 HA LEU A 32 -6.495 -3.856 -8.686 1.00 0.60 H new ATOM 0 HB2 LEU A 32 -6.643 -6.003 -9.931 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -7.238 -5.146 -11.339 1.00 0.54 H new ATOM 0 HG LEU A 32 -5.172 -4.308 -11.897 1.00 0.46 H new ATOM 0 HD11 LEU A 32 -3.152 -4.287 -10.505 1.00 0.49 H new ATOM 0 HD12 LEU A 32 -4.469 -3.311 -9.812 1.00 0.49 H new ATOM 0 HD13 LEU A 32 -4.099 -4.915 -9.136 1.00 0.49 H new ATOM 0 HD21 LEU A 32 -3.622 -6.284 -11.789 1.00 0.44 H new ATOM 0 HD22 LEU A 32 -4.651 -6.992 -10.522 1.00 0.44 H new ATOM 0 HD23 LEU A 32 -5.291 -6.772 -12.168 1.00 0.44 H new ATOM 492 N GLY A 33 -8.137 -2.188 -10.898 1.00 0.71 N ATOM 493 CA GLY A 33 -8.217 -0.858 -11.470 1.00 0.80 C ATOM 494 C GLY A 33 -8.734 0.141 -10.475 1.00 0.83 C ATOM 495 O GLY A 33 -8.289 1.286 -10.448 1.00 0.91 O ATOM 0 H GLY A 33 -8.943 -2.783 -11.087 1.00 0.71 H new ATOM 0 HA2 GLY A 33 -7.230 -0.550 -11.816 1.00 0.80 H new ATOM 0 HA3 GLY A 33 -8.870 -0.875 -12.342 1.00 0.80 H new ATOM 499 N THR A 34 -9.674 -0.313 -9.647 1.00 0.80 N ATOM 500 CA THR A 34 -10.245 0.499 -8.567 1.00 0.84 C ATOM 501 C THR A 34 -9.125 0.982 -7.637 1.00 0.83 C ATOM 502 O THR A 34 -9.262 2.001 -6.953 1.00 0.88 O ATOM 503 CB THR A 34 -11.233 -0.334 -7.730 1.00 0.87 C ATOM 504 OG1 THR A 34 -12.120 -1.057 -8.590 1.00 0.89 O ATOM 505 CG2 THR A 34 -12.059 0.535 -6.779 1.00 0.96 C ATOM 0 H THR A 34 -10.063 -1.254 -9.704 1.00 0.80 H new ATOM 0 HA THR A 34 -10.764 1.346 -9.016 1.00 0.84 H new ATOM 0 HB THR A 34 -10.640 -1.025 -7.131 1.00 0.87 H new ATOM 0 HG1 THR A 34 -11.671 -1.863 -8.920 1.00 0.89 H new ATOM 0 HG21 THR A 34 -12.742 -0.096 -6.210 1.00 0.96 H new ATOM 0 HG22 THR A 34 -11.393 1.059 -6.094 1.00 0.96 H new ATOM 0 HG23 THR A 34 -12.632 1.262 -7.355 1.00 0.96 H new ATOM 513 N VAL A 35 -8.020 0.221 -7.636 1.00 0.77 N ATOM 514 CA VAL A 35 -6.848 0.530 -6.806 1.00 0.79 C ATOM 515 C VAL A 35 -6.016 1.648 -7.447 1.00 0.80 C ATOM 516 O VAL A 35 -5.821 2.723 -6.874 1.00 0.86 O ATOM 517 CB VAL A 35 -5.974 -0.744 -6.645 1.00 0.76 C ATOM 518 CG1 VAL A 35 -4.735 -0.491 -5.783 1.00 0.80 C ATOM 519 CG2 VAL A 35 -6.799 -1.873 -6.047 1.00 0.79 C ATOM 0 H VAL A 35 -7.915 -0.619 -8.206 1.00 0.77 H new ATOM 0 HA VAL A 35 -7.190 0.866 -5.827 1.00 0.79 H new ATOM 0 HB VAL A 35 -5.629 -1.027 -7.639 1.00 0.76 H new ATOM 0 HG11 VAL A 35 -4.156 -1.411 -5.700 1.00 0.80 H new ATOM 0 HG12 VAL A 35 -4.122 0.283 -6.245 1.00 0.80 H new ATOM 0 HG13 VAL A 35 -5.043 -0.165 -4.790 1.00 0.80 H new ATOM 0 HG21 VAL A 35 -6.176 -2.761 -5.939 1.00 0.79 H new ATOM 0 HG22 VAL A 35 -7.174 -1.571 -5.069 1.00 0.79 H new ATOM 0 HG23 VAL A 35 -7.639 -2.097 -6.704 1.00 0.79 H new ATOM 529 N MET A 36 -5.545 1.338 -8.646 1.00 0.77 N ATOM 530 CA MET A 36 -4.709 2.226 -9.479 1.00 0.81 C ATOM 531 C MET A 36 -5.389 3.531 -9.877 1.00 0.80 C ATOM 532 O MET A 36 -4.840 4.612 -9.677 1.00 0.87 O ATOM 533 CB MET A 36 -4.349 1.522 -10.794 1.00 0.87 C ATOM 534 CG MET A 36 -5.434 0.616 -11.299 1.00 0.86 C ATOM 535 SD MET A 36 -4.984 -0.275 -12.807 1.00 1.10 S ATOM 536 CE MET A 36 -3.909 -1.560 -12.169 1.00 1.82 C ATOM 0 H MET A 36 -5.733 0.439 -9.089 1.00 0.77 H new ATOM 0 HA MET A 36 -3.841 2.454 -8.860 1.00 0.81 H new ATOM 0 HB2 MET A 36 -4.131 2.274 -11.553 1.00 0.87 H new ATOM 0 HB3 MET A 36 -3.438 0.941 -10.649 1.00 0.87 H new ATOM 0 HG2 MET A 36 -5.686 -0.105 -10.521 1.00 0.86 H new ATOM 0 HG3 MET A 36 -6.331 1.206 -11.489 1.00 0.86 H new ATOM 0 HE1 MET A 36 -2.896 -1.404 -12.539 1.00 1.82 H new ATOM 0 HE2 MET A 36 -3.907 -1.525 -11.080 1.00 1.82 H new ATOM 0 HE3 MET A 36 -4.270 -2.534 -12.500 1.00 1.82 H new ATOM 546 N ARG A 37 -6.593 3.398 -10.442 1.00 0.79 N ATOM 547 CA ARG A 37 -7.349 4.518 -10.994 1.00 0.85 C ATOM 548 C ARG A 37 -7.443 5.749 -10.082 1.00 0.94 C ATOM 549 O ARG A 37 -7.511 6.886 -10.557 1.00 1.01 O ATOM 550 CB ARG A 37 -8.759 4.079 -11.373 1.00 0.96 C ATOM 551 CG ARG A 37 -8.832 3.281 -12.667 1.00 1.49 C ATOM 552 CD ARG A 37 -10.259 2.866 -12.986 1.00 1.68 C ATOM 553 NE ARG A 37 -10.341 2.089 -14.228 1.00 2.53 N ATOM 554 CZ ARG A 37 -11.470 1.567 -14.729 1.00 2.93 C ATOM 555 NH1 ARG A 37 -12.638 1.724 -14.108 1.00 2.47 N ATOM 556 NH2 ARG A 37 -11.427 0.880 -15.862 1.00 3.94 N ATOM 0 H ARG A 37 -7.071 2.501 -10.528 1.00 0.79 H new ATOM 0 HA ARG A 37 -6.781 4.825 -11.872 1.00 0.85 H new ATOM 0 HB2 ARG A 37 -9.171 3.477 -10.563 1.00 0.96 H new ATOM 0 HB3 ARG A 37 -9.391 4.962 -11.467 1.00 0.96 H new ATOM 0 HG2 ARG A 37 -8.434 3.879 -13.487 1.00 1.49 H new ATOM 0 HG3 ARG A 37 -8.204 2.394 -12.585 1.00 1.49 H new ATOM 0 HD2 ARG A 37 -10.657 2.275 -12.162 1.00 1.68 H new ATOM 0 HD3 ARG A 37 -10.884 3.755 -13.072 1.00 1.68 H new ATOM 0 HE ARG A 37 -9.477 1.935 -14.748 1.00 2.53 H new ATOM 0 HH11 ARG A 37 -12.685 2.249 -13.235 1.00 2.47 H new ATOM 0 HH12 ARG A 37 -13.486 1.319 -14.506 1.00 2.47 H new ATOM 0 HH21 ARG A 37 -10.539 0.751 -16.347 1.00 3.94 H new ATOM 0 HH22 ARG A 37 -12.282 0.480 -16.249 1.00 3.94 H new ATOM 570 N SER A 38 -7.445 5.490 -8.779 1.00 1.00 N ATOM 571 CA SER A 38 -7.557 6.530 -7.737 1.00 1.16 C ATOM 572 C SER A 38 -6.500 7.636 -7.828 1.00 1.17 C ATOM 573 O SER A 38 -6.802 8.804 -7.566 1.00 1.33 O ATOM 574 CB SER A 38 -7.503 5.886 -6.352 1.00 1.37 C ATOM 575 OG SER A 38 -8.542 4.936 -6.190 1.00 1.82 O ATOM 0 H SER A 38 -7.369 4.545 -8.402 1.00 1.00 H new ATOM 0 HA SER A 38 -8.518 7.015 -7.906 1.00 1.16 H new ATOM 0 HB2 SER A 38 -6.537 5.401 -6.211 1.00 1.37 H new ATOM 0 HB3 SER A 38 -7.588 6.657 -5.586 1.00 1.37 H new ATOM 0 HG SER A 38 -8.294 4.101 -6.639 1.00 1.82 H new ATOM 581 N LEU A 39 -5.278 7.266 -8.202 1.00 1.11 N ATOM 582 CA LEU A 39 -4.173 8.215 -8.311 1.00 1.26 C ATOM 583 C LEU A 39 -4.167 8.976 -9.652 1.00 1.23 C ATOM 584 O LEU A 39 -3.311 9.839 -9.875 1.00 1.39 O ATOM 585 CB LEU A 39 -2.821 7.505 -8.062 1.00 1.42 C ATOM 586 CG LEU A 39 -2.587 6.149 -8.759 1.00 1.43 C ATOM 587 CD1 LEU A 39 -2.400 6.313 -10.260 1.00 1.18 C ATOM 588 CD2 LEU A 39 -1.386 5.442 -8.150 1.00 2.07 C ATOM 0 H LEU A 39 -5.026 6.306 -8.437 1.00 1.11 H new ATOM 0 HA LEU A 39 -4.321 8.967 -7.536 1.00 1.26 H new ATOM 0 HB2 LEU A 39 -2.024 8.182 -8.369 1.00 1.42 H new ATOM 0 HB3 LEU A 39 -2.714 7.353 -6.988 1.00 1.42 H new ATOM 0 HG LEU A 39 -3.476 5.539 -8.602 1.00 1.43 H new ATOM 0 HD11 LEU A 39 -2.238 5.336 -10.715 1.00 1.18 H new ATOM 0 HD12 LEU A 39 -3.291 6.770 -10.690 1.00 1.18 H new ATOM 0 HD13 LEU A 39 -1.537 6.950 -10.452 1.00 1.18 H new ATOM 0 HD21 LEU A 39 -1.233 4.487 -8.652 1.00 2.07 H new ATOM 0 HD22 LEU A 39 -0.498 6.062 -8.272 1.00 2.07 H new ATOM 0 HD23 LEU A 39 -1.565 5.270 -7.089 1.00 2.07 H new ATOM 600 N GLY A 40 -5.131 8.656 -10.526 1.00 1.12 N ATOM 601 CA GLY A 40 -5.232 9.319 -11.822 1.00 1.21 C ATOM 602 C GLY A 40 -4.860 8.430 -12.992 1.00 1.24 C ATOM 603 O GLY A 40 -4.331 8.909 -14.000 1.00 1.48 O ATOM 0 H GLY A 40 -5.844 7.947 -10.356 1.00 1.12 H new ATOM 0 HA2 GLY A 40 -6.253 9.676 -11.959 1.00 1.21 H new ATOM 0 HA3 GLY A 40 -4.584 10.196 -11.823 1.00 1.21 H new ATOM 607 N GLN A 41 -5.139 7.141 -12.847 1.00 1.05 N ATOM 608 CA GLN A 41 -4.854 6.152 -13.886 1.00 1.08 C ATOM 609 C GLN A 41 -6.136 5.760 -14.616 1.00 1.03 C ATOM 610 O GLN A 41 -7.176 5.550 -13.984 1.00 1.04 O ATOM 611 CB GLN A 41 -4.205 4.907 -13.274 1.00 1.08 C ATOM 612 CG GLN A 41 -3.138 4.271 -14.151 1.00 1.30 C ATOM 613 CD GLN A 41 -2.566 3.008 -13.539 1.00 2.18 C ATOM 614 OE1 GLN A 41 -3.072 1.910 -13.766 1.00 2.69 O ATOM 615 NE2 GLN A 41 -1.506 3.160 -12.753 1.00 3.01 N ATOM 0 H GLN A 41 -5.568 6.749 -12.009 1.00 1.05 H new ATOM 0 HA GLN A 41 -4.162 6.597 -14.601 1.00 1.08 H new ATOM 0 HB2 GLN A 41 -3.760 5.176 -12.316 1.00 1.08 H new ATOM 0 HB3 GLN A 41 -4.980 4.169 -13.070 1.00 1.08 H new ATOM 0 HG2 GLN A 41 -3.565 4.038 -15.127 1.00 1.30 H new ATOM 0 HG3 GLN A 41 -2.334 4.988 -14.318 1.00 1.30 H new ATOM 0 HE21 GLN A 41 -1.119 4.090 -12.593 1.00 3.01 H new ATOM 0 HE22 GLN A 41 -1.079 2.347 -12.310 1.00 3.01 H new ATOM 624 N ASN A 42 -6.050 5.665 -15.947 1.00 1.26 N ATOM 625 CA ASN A 42 -7.196 5.291 -16.777 1.00 1.34 C ATOM 626 C ASN A 42 -6.836 4.106 -17.700 1.00 0.89 C ATOM 627 O ASN A 42 -6.725 4.273 -18.922 1.00 1.50 O ATOM 628 CB ASN A 42 -7.686 6.500 -17.591 1.00 2.22 C ATOM 629 CG ASN A 42 -8.344 7.560 -16.727 1.00 3.03 C ATOM 630 OD1 ASN A 42 -9.554 7.529 -16.500 1.00 3.77 O ATOM 631 ND2 ASN A 42 -7.548 8.505 -16.241 1.00 3.37 N ATOM 0 H ASN A 42 -5.194 5.843 -16.473 1.00 1.26 H new ATOM 0 HA ASN A 42 -8.009 4.971 -16.125 1.00 1.34 H new ATOM 0 HB2 ASN A 42 -6.842 6.942 -18.121 1.00 2.22 H new ATOM 0 HB3 ASN A 42 -8.395 6.161 -18.346 1.00 2.22 H new ATOM 0 HD21 ASN A 42 -7.934 9.244 -15.654 1.00 3.37 H new ATOM 0 HD22 ASN A 42 -6.551 8.492 -16.455 1.00 3.37 H new ATOM 638 N PRO A 43 -6.628 2.881 -17.126 1.00 1.06 N ATOM 639 CA PRO A 43 -6.281 1.679 -17.901 1.00 1.66 C ATOM 640 C PRO A 43 -7.508 0.965 -18.479 1.00 1.29 C ATOM 641 O PRO A 43 -8.641 1.223 -18.060 1.00 1.26 O ATOM 642 CB PRO A 43 -5.580 0.774 -16.867 1.00 2.73 C ATOM 643 CG PRO A 43 -5.620 1.506 -15.557 1.00 2.76 C ATOM 644 CD PRO A 43 -6.681 2.560 -15.687 1.00 1.85 C ATOM 0 HA PRO A 43 -5.667 1.928 -18.766 1.00 1.66 H new ATOM 0 HB2 PRO A 43 -6.086 -0.188 -16.788 1.00 2.73 H new ATOM 0 HB3 PRO A 43 -4.552 0.570 -17.165 1.00 2.73 H new ATOM 0 HG2 PRO A 43 -5.850 0.824 -14.739 1.00 2.76 H new ATOM 0 HG3 PRO A 43 -4.652 1.956 -15.335 1.00 2.76 H new ATOM 0 HD2 PRO A 43 -7.662 2.189 -15.389 1.00 1.85 H new ATOM 0 HD3 PRO A 43 -6.467 3.431 -15.068 1.00 1.85 H new ATOM 652 N THR A 44 -7.262 0.066 -19.445 1.00 1.26 N ATOM 653 CA THR A 44 -8.307 -0.718 -20.101 1.00 1.00 C ATOM 654 C THR A 44 -9.024 -1.661 -19.122 1.00 0.85 C ATOM 655 O THR A 44 -8.546 -1.893 -18.007 1.00 0.89 O ATOM 656 CB THR A 44 -7.704 -1.555 -21.254 1.00 1.17 C ATOM 657 OG1 THR A 44 -6.432 -1.024 -21.655 1.00 1.51 O ATOM 658 CG2 THR A 44 -8.630 -1.556 -22.444 1.00 1.33 C ATOM 0 H THR A 44 -6.324 -0.135 -19.791 1.00 1.26 H new ATOM 0 HA THR A 44 -9.038 -0.010 -20.491 1.00 1.00 H new ATOM 0 HB THR A 44 -7.572 -2.575 -20.892 1.00 1.17 H new ATOM 0 HG1 THR A 44 -6.066 -1.567 -22.384 1.00 1.51 H new ATOM 0 HG21 THR A 44 -8.191 -2.149 -23.246 1.00 1.33 H new ATOM 0 HG22 THR A 44 -9.590 -1.986 -22.158 1.00 1.33 H new ATOM 0 HG23 THR A 44 -8.780 -0.533 -22.789 1.00 1.33 H new ATOM 666 N GLU A 45 -10.175 -2.195 -19.560 1.00 0.76 N ATOM 667 CA GLU A 45 -10.978 -3.121 -18.748 1.00 0.72 C ATOM 668 C GLU A 45 -10.412 -4.531 -18.840 1.00 0.71 C ATOM 669 O GLU A 45 -10.639 -5.366 -17.963 1.00 0.70 O ATOM 670 CB GLU A 45 -12.450 -3.103 -19.176 1.00 0.79 C ATOM 671 CG GLU A 45 -13.190 -1.834 -18.781 1.00 0.85 C ATOM 672 CD GLU A 45 -14.645 -1.851 -19.208 1.00 1.41 C ATOM 673 OE1 GLU A 45 -14.939 -1.389 -20.330 1.00 2.03 O ATOM 674 OE2 GLU A 45 -15.489 -2.326 -18.420 1.00 1.97 O ATOM 0 H GLU A 45 -10.572 -1.999 -20.479 1.00 0.76 H new ATOM 0 HA GLU A 45 -10.929 -2.790 -17.711 1.00 0.72 H new ATOM 0 HB2 GLU A 45 -12.505 -3.223 -20.258 1.00 0.79 H new ATOM 0 HB3 GLU A 45 -12.957 -3.961 -18.734 1.00 0.79 H new ATOM 0 HG2 GLU A 45 -13.134 -1.707 -17.700 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -12.693 -0.974 -19.230 1.00 0.85 H new ATOM 681 N ALA A 46 -9.727 -4.800 -19.945 1.00 0.75 N ATOM 682 CA ALA A 46 -9.043 -6.054 -20.136 1.00 0.78 C ATOM 683 C ALA A 46 -7.650 -5.941 -19.547 1.00 0.76 C ATOM 684 O ALA A 46 -6.994 -6.946 -19.317 1.00 0.77 O ATOM 685 CB ALA A 46 -9.002 -6.449 -21.604 1.00 0.90 C ATOM 0 H ALA A 46 -9.636 -4.151 -20.726 1.00 0.75 H new ATOM 0 HA ALA A 46 -9.588 -6.846 -19.622 1.00 0.78 H new ATOM 0 HB1 ALA A 46 -8.479 -7.399 -21.711 1.00 0.90 H new ATOM 0 HB2 ALA A 46 -10.019 -6.550 -21.982 1.00 0.90 H new ATOM 0 HB3 ALA A 46 -8.478 -5.681 -22.173 1.00 0.90 H new ATOM 691 N GLU A 47 -7.214 -4.684 -19.304 1.00 0.77 N ATOM 692 CA GLU A 47 -5.897 -4.403 -18.702 1.00 0.81 C ATOM 693 C GLU A 47 -5.773 -4.991 -17.306 1.00 0.68 C ATOM 694 O GLU A 47 -4.671 -5.235 -16.844 1.00 0.62 O ATOM 695 CB GLU A 47 -5.621 -2.896 -18.661 1.00 0.95 C ATOM 696 CG GLU A 47 -4.562 -2.434 -19.656 1.00 1.30 C ATOM 697 CD GLU A 47 -3.143 -2.688 -19.174 1.00 1.55 C ATOM 698 OE1 GLU A 47 -2.583 -1.807 -18.488 1.00 2.16 O ATOM 699 OE2 GLU A 47 -2.596 -3.767 -19.482 1.00 2.13 O ATOM 0 H GLU A 47 -7.759 -3.849 -19.517 1.00 0.77 H new ATOM 0 HA GLU A 47 -5.152 -4.882 -19.336 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -6.550 -2.361 -18.859 1.00 0.95 H new ATOM 0 HB3 GLU A 47 -5.304 -2.622 -17.655 1.00 0.95 H new ATOM 0 HG2 GLU A 47 -4.715 -2.947 -20.605 1.00 1.30 H new ATOM 0 HG3 GLU A 47 -4.690 -1.368 -19.846 1.00 1.30 H new ATOM 706 N LEU A 48 -6.910 -5.204 -16.652 1.00 0.66 N ATOM 707 CA LEU A 48 -6.963 -5.807 -15.322 1.00 0.59 C ATOM 708 C LEU A 48 -7.011 -7.319 -15.474 1.00 0.55 C ATOM 709 O LEU A 48 -6.316 -8.040 -14.752 1.00 0.56 O ATOM 710 CB LEU A 48 -8.164 -5.269 -14.564 1.00 0.61 C ATOM 711 CG LEU A 48 -8.660 -3.901 -15.022 1.00 0.76 C ATOM 712 CD1 LEU A 48 -10.026 -4.043 -15.583 1.00 0.87 C ATOM 713 CD2 LEU A 48 -8.646 -2.901 -13.898 1.00 1.24 C ATOM 0 H LEU A 48 -7.826 -4.963 -17.030 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.075 -5.550 -14.745 1.00 0.59 H new ATOM 0 HB2 LEU A 48 -8.982 -5.984 -14.656 1.00 0.61 H new ATOM 0 HB3 LEU A 48 -7.909 -5.210 -13.506 1.00 0.61 H new ATOM 0 HG LEU A 48 -7.986 -3.524 -15.791 1.00 0.76 H new ATOM 0 HD11 LEU A 48 -10.387 -3.069 -15.913 1.00 0.87 H new ATOM 0 HD12 LEU A 48 -10.002 -4.727 -16.431 1.00 0.87 H new ATOM 0 HD13 LEU A 48 -10.694 -4.438 -14.818 1.00 0.87 H new ATOM 0 HD21 LEU A 48 -9.006 -1.939 -14.263 1.00 1.24 H new ATOM 0 HD22 LEU A 48 -9.293 -3.249 -13.093 1.00 1.24 H new ATOM 0 HD23 LEU A 48 -7.629 -2.789 -13.523 1.00 1.24 H new ATOM 725 N GLN A 49 -7.845 -7.802 -16.424 1.00 0.57 N ATOM 726 CA GLN A 49 -7.897 -9.232 -16.754 1.00 0.60 C ATOM 727 C GLN A 49 -6.527 -9.638 -17.311 1.00 0.59 C ATOM 728 O GLN A 49 -6.123 -10.802 -17.241 1.00 0.61 O ATOM 729 CB GLN A 49 -8.996 -9.526 -17.784 1.00 0.67 C ATOM 730 CG GLN A 49 -10.414 -9.323 -17.266 1.00 0.80 C ATOM 731 CD GLN A 49 -11.441 -9.287 -18.381 1.00 1.03 C ATOM 732 OE1 GLN A 49 -11.989 -10.318 -18.770 1.00 1.67 O ATOM 733 NE2 GLN A 49 -11.707 -8.094 -18.902 1.00 1.52 N ATOM 0 H GLN A 49 -8.484 -7.222 -16.968 1.00 0.57 H new ATOM 0 HA GLN A 49 -8.132 -9.805 -15.857 1.00 0.60 H new ATOM 0 HB2 GLN A 49 -8.844 -8.885 -18.652 1.00 0.67 H new ATOM 0 HB3 GLN A 49 -8.891 -10.556 -18.126 1.00 0.67 H new ATOM 0 HG2 GLN A 49 -10.663 -10.127 -16.573 1.00 0.80 H new ATOM 0 HG3 GLN A 49 -10.461 -8.391 -16.703 1.00 0.80 H new ATOM 0 HE21 GLN A 49 -11.229 -7.265 -18.549 1.00 1.52 H new ATOM 0 HE22 GLN A 49 -12.389 -8.007 -19.655 1.00 1.52 H new ATOM 742 N ASP A 50 -5.835 -8.624 -17.867 1.00 0.58 N ATOM 743 CA ASP A 50 -4.488 -8.762 -18.397 1.00 0.57 C ATOM 744 C ASP A 50 -3.471 -8.529 -17.280 1.00 0.49 C ATOM 745 O ASP A 50 -2.452 -9.223 -17.228 1.00 0.48 O ATOM 746 CB ASP A 50 -4.233 -7.791 -19.549 1.00 0.63 C ATOM 747 CG ASP A 50 -4.630 -8.371 -20.893 1.00 1.03 C ATOM 748 OD1 ASP A 50 -5.783 -8.150 -21.319 1.00 1.83 O ATOM 749 OD2 ASP A 50 -3.786 -9.045 -21.520 1.00 1.48 O ATOM 0 H ASP A 50 -6.211 -7.680 -17.956 1.00 0.58 H new ATOM 0 HA ASP A 50 -4.380 -9.774 -18.788 1.00 0.57 H new ATOM 0 HB2 ASP A 50 -4.790 -6.871 -19.375 1.00 0.63 H new ATOM 0 HB3 ASP A 50 -3.176 -7.525 -19.569 1.00 0.63 H new ATOM 754 N MET A 51 -3.733 -7.537 -16.377 1.00 0.45 N ATOM 755 CA MET A 51 -2.794 -7.304 -15.244 1.00 0.41 C ATOM 756 C MET A 51 -2.732 -8.523 -14.316 1.00 0.39 C ATOM 757 O MET A 51 -1.703 -8.759 -13.676 1.00 0.38 O ATOM 758 CB MET A 51 -3.078 -6.030 -14.417 1.00 0.41 C ATOM 759 CG MET A 51 -2.589 -4.750 -15.078 1.00 0.48 C ATOM 760 SD MET A 51 -0.796 -4.706 -15.265 1.00 1.31 S ATOM 761 CE MET A 51 -0.583 -3.153 -16.129 1.00 1.31 C ATOM 0 H MET A 51 -4.543 -6.917 -16.408 1.00 0.45 H new ATOM 0 HA MET A 51 -1.826 -7.145 -15.719 1.00 0.41 H new ATOM 0 HB2 MET A 51 -4.151 -5.952 -14.244 1.00 0.41 H new ATOM 0 HB3 MET A 51 -2.604 -6.128 -13.440 1.00 0.41 H new ATOM 0 HG2 MET A 51 -3.055 -4.651 -16.058 1.00 0.48 H new ATOM 0 HG3 MET A 51 -2.910 -3.894 -14.485 1.00 0.48 H new ATOM 0 HE1 MET A 51 0.479 -2.914 -16.192 1.00 1.31 H new ATOM 0 HE2 MET A 51 -0.997 -3.236 -17.134 1.00 1.31 H new ATOM 0 HE3 MET A 51 -1.101 -2.361 -15.588 1.00 1.31 H new ATOM 771 N ILE A 52 -3.835 -9.292 -14.244 1.00 0.41 N ATOM 772 CA ILE A 52 -3.869 -10.511 -13.430 1.00 0.42 C ATOM 773 C ILE A 52 -3.320 -11.719 -14.224 1.00 0.46 C ATOM 774 O ILE A 52 -2.993 -12.754 -13.644 1.00 0.49 O ATOM 775 CB ILE A 52 -5.284 -10.834 -12.881 1.00 0.45 C ATOM 776 CG1 ILE A 52 -5.836 -9.621 -12.102 1.00 0.45 C ATOM 777 CG2 ILE A 52 -5.247 -12.079 -12.015 1.00 0.47 C ATOM 778 CD1 ILE A 52 -6.450 -9.890 -10.717 1.00 0.48 C ATOM 0 H ILE A 52 -4.705 -9.089 -14.737 1.00 0.41 H new ATOM 0 HA ILE A 52 -3.227 -10.321 -12.570 1.00 0.42 H new ATOM 0 HB ILE A 52 -5.954 -11.035 -13.717 1.00 0.45 H new ATOM 0 HG12 ILE A 52 -5.025 -8.903 -11.978 1.00 0.45 H new ATOM 0 HG13 ILE A 52 -6.595 -9.141 -12.720 1.00 0.45 H new ATOM 0 HG21 ILE A 52 -6.248 -12.290 -11.639 1.00 0.47 H new ATOM 0 HG22 ILE A 52 -4.896 -12.924 -12.607 1.00 0.47 H new ATOM 0 HG23 ILE A 52 -4.570 -11.918 -11.176 1.00 0.47 H new ATOM 0 HD11 ILE A 52 -6.797 -8.952 -10.284 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -7.291 -10.575 -10.819 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -5.697 -10.334 -10.065 1.00 0.48 H new ATOM 790 N ASN A 53 -3.202 -11.555 -15.547 1.00 0.49 N ATOM 791 CA ASN A 53 -2.725 -12.592 -16.451 1.00 0.56 C ATOM 792 C ASN A 53 -1.226 -12.815 -16.312 1.00 0.58 C ATOM 793 O ASN A 53 -0.760 -13.951 -16.218 1.00 0.65 O ATOM 794 CB ASN A 53 -3.022 -12.123 -17.850 1.00 0.58 C ATOM 795 CG ASN A 53 -3.792 -13.135 -18.677 1.00 0.65 C ATOM 796 OD1 ASN A 53 -3.067 -14.006 -19.370 1.00 1.27 O flip ATOM 797 ND2 ASN A 53 -5.022 -13.134 -18.692 1.00 1.35 N flip ATOM 0 H ASN A 53 -3.440 -10.683 -16.020 1.00 0.49 H new ATOM 0 HA ASN A 53 -3.219 -13.535 -16.217 1.00 0.56 H new ATOM 0 HB2 ASN A 53 -3.593 -11.196 -17.800 1.00 0.58 H new ATOM 0 HB3 ASN A 53 -2.084 -11.892 -18.354 1.00 0.58 H new ATOM 0 HD21 ASN A 53 -5.538 -12.446 -18.144 1.00 1.35 H new ATOM 0 HD22 ASN A 53 -5.526 -13.821 -19.253 1.00 1.35 H new ATOM 804 N GLU A 54 -0.483 -11.707 -16.339 1.00 0.55 N ATOM 805 CA GLU A 54 0.983 -11.747 -16.201 1.00 0.59 C ATOM 806 C GLU A 54 1.411 -12.073 -14.781 1.00 0.57 C ATOM 807 O GLU A 54 2.488 -12.636 -14.564 1.00 0.62 O ATOM 808 CB GLU A 54 1.624 -10.438 -16.674 1.00 0.61 C ATOM 809 CG GLU A 54 1.590 -10.247 -18.183 1.00 0.79 C ATOM 810 CD GLU A 54 2.222 -8.939 -18.619 1.00 1.15 C ATOM 811 OE1 GLU A 54 3.440 -8.930 -18.895 1.00 1.78 O ATOM 812 OE2 GLU A 54 1.498 -7.923 -18.685 1.00 1.82 O ATOM 0 H GLU A 54 -0.867 -10.769 -16.455 1.00 0.55 H new ATOM 0 HA GLU A 54 1.339 -12.552 -16.844 1.00 0.59 H new ATOM 0 HB2 GLU A 54 1.111 -9.601 -16.200 1.00 0.61 H new ATOM 0 HB3 GLU A 54 2.660 -10.409 -16.337 1.00 0.61 H new ATOM 0 HG2 GLU A 54 2.111 -11.076 -18.662 1.00 0.79 H new ATOM 0 HG3 GLU A 54 0.556 -10.279 -18.527 1.00 0.79 H new ATOM 819 N VAL A 55 0.566 -11.715 -13.831 1.00 0.50 N ATOM 820 CA VAL A 55 0.811 -12.028 -12.433 1.00 0.48 C ATOM 821 C VAL A 55 -0.268 -13.049 -12.039 1.00 0.48 C ATOM 822 O VAL A 55 -0.867 -12.999 -10.963 1.00 0.45 O ATOM 823 CB VAL A 55 0.808 -10.755 -11.521 1.00 0.44 C ATOM 824 CG1 VAL A 55 1.599 -11.014 -10.242 1.00 0.47 C ATOM 825 CG2 VAL A 55 1.395 -9.545 -12.245 1.00 0.48 C ATOM 0 H VAL A 55 -0.300 -11.205 -14.003 1.00 0.50 H new ATOM 0 HA VAL A 55 1.809 -12.444 -12.292 1.00 0.48 H new ATOM 0 HB VAL A 55 -0.230 -10.536 -11.271 1.00 0.44 H new ATOM 0 HG11 VAL A 55 1.587 -10.119 -9.619 1.00 0.47 H new ATOM 0 HG12 VAL A 55 1.147 -11.842 -9.696 1.00 0.47 H new ATOM 0 HG13 VAL A 55 2.629 -11.266 -10.496 1.00 0.47 H new ATOM 0 HG21 VAL A 55 1.377 -8.680 -11.582 1.00 0.48 H new ATOM 0 HG22 VAL A 55 2.424 -9.758 -12.535 1.00 0.48 H new ATOM 0 HG23 VAL A 55 0.804 -9.332 -13.136 1.00 0.48 H new ATOM 835 N ASP A 56 -0.459 -14.008 -12.971 1.00 0.55 N ATOM 836 CA ASP A 56 -1.476 -15.077 -12.879 1.00 0.60 C ATOM 837 C ASP A 56 -1.346 -16.008 -11.656 1.00 0.61 C ATOM 838 O ASP A 56 -0.488 -16.900 -11.624 1.00 0.65 O ATOM 839 CB ASP A 56 -1.405 -15.916 -14.165 1.00 0.75 C ATOM 840 CG ASP A 56 -2.731 -16.535 -14.554 1.00 0.98 C ATOM 841 OD1 ASP A 56 -3.474 -15.903 -15.335 1.00 1.58 O ATOM 842 OD2 ASP A 56 -3.026 -17.653 -14.082 1.00 1.87 O ATOM 0 H ASP A 56 0.099 -14.061 -13.823 1.00 0.55 H new ATOM 0 HA ASP A 56 -2.436 -14.577 -12.755 1.00 0.60 H new ATOM 0 HB2 ASP A 56 -1.053 -15.286 -14.982 1.00 0.75 H new ATOM 0 HB3 ASP A 56 -0.668 -16.708 -14.033 1.00 0.75 H new ATOM 847 N ALA A 57 -2.196 -15.765 -10.639 1.00 0.59 N ATOM 848 CA ALA A 57 -2.242 -16.617 -9.443 1.00 0.62 C ATOM 849 C ALA A 57 -3.237 -17.755 -9.635 1.00 0.68 C ATOM 850 O ALA A 57 -2.918 -18.930 -9.432 1.00 0.74 O ATOM 851 CB ALA A 57 -2.635 -15.802 -8.218 1.00 0.60 C ATOM 0 H ALA A 57 -2.856 -14.988 -10.625 1.00 0.59 H new ATOM 0 HA ALA A 57 -1.247 -17.034 -9.289 1.00 0.62 H new ATOM 0 HB1 ALA A 57 -2.663 -16.451 -7.343 1.00 0.60 H new ATOM 0 HB2 ALA A 57 -1.904 -15.010 -8.058 1.00 0.60 H new ATOM 0 HB3 ALA A 57 -3.619 -15.361 -8.375 1.00 0.60 H new ATOM 857 N ASP A 58 -4.444 -17.361 -10.028 1.00 0.68 N ATOM 858 CA ASP A 58 -5.542 -18.285 -10.296 1.00 0.75 C ATOM 859 C ASP A 58 -5.958 -18.203 -11.773 1.00 0.75 C ATOM 860 O ASP A 58 -6.532 -19.144 -12.327 1.00 0.83 O ATOM 861 CB ASP A 58 -6.697 -17.956 -9.333 1.00 0.77 C ATOM 862 CG ASP A 58 -7.995 -18.693 -9.633 1.00 0.90 C ATOM 863 OD1 ASP A 58 -8.033 -19.928 -9.451 1.00 1.36 O ATOM 864 OD2 ASP A 58 -8.971 -18.032 -10.045 1.00 1.62 O ATOM 0 H ASP A 58 -4.691 -16.382 -10.171 1.00 0.68 H new ATOM 0 HA ASP A 58 -5.234 -19.316 -10.122 1.00 0.75 H new ATOM 0 HB2 ASP A 58 -6.385 -18.194 -8.316 1.00 0.77 H new ATOM 0 HB3 ASP A 58 -6.887 -16.883 -9.366 1.00 0.77 H new ATOM 869 N GLY A 59 -5.649 -17.053 -12.380 1.00 0.68 N ATOM 870 CA GLY A 59 -5.898 -16.795 -13.790 1.00 0.68 C ATOM 871 C GLY A 59 -7.340 -16.671 -14.194 1.00 0.72 C ATOM 872 O GLY A 59 -7.648 -16.664 -15.390 1.00 0.75 O ATOM 0 H GLY A 59 -5.214 -16.269 -11.894 1.00 0.68 H new ATOM 0 HA2 GLY A 59 -5.384 -15.875 -14.067 1.00 0.68 H new ATOM 0 HA3 GLY A 59 -5.447 -17.599 -14.371 1.00 0.68 H new ATOM 876 N ASN A 60 -8.222 -16.576 -13.212 1.00 0.73 N ATOM 877 CA ASN A 60 -9.616 -16.351 -13.482 1.00 0.78 C ATOM 878 C ASN A 60 -9.847 -14.857 -13.323 1.00 0.72 C ATOM 879 O ASN A 60 -10.976 -14.372 -13.181 1.00 0.77 O ATOM 880 CB ASN A 60 -10.508 -17.183 -12.546 1.00 0.86 C ATOM 881 CG ASN A 60 -11.912 -17.377 -13.092 1.00 1.28 C ATOM 882 OD1 ASN A 60 -12.185 -18.341 -13.807 1.00 1.86 O ATOM 883 ND2 ASN A 60 -12.810 -16.458 -12.754 1.00 2.03 N ATOM 0 H ASN A 60 -7.988 -16.653 -12.222 1.00 0.73 H new ATOM 0 HA ASN A 60 -9.882 -16.670 -14.490 1.00 0.78 H new ATOM 0 HB2 ASN A 60 -10.048 -18.158 -12.384 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -10.565 -16.692 -11.574 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -13.770 -16.535 -13.090 1.00 2.03 H new ATOM 0 HD22 ASN A 60 -12.539 -15.675 -12.159 1.00 2.03 H new ATOM 890 N GLY A 61 -8.709 -14.145 -13.380 1.00 0.64 N ATOM 891 CA GLY A 61 -8.691 -12.712 -13.213 1.00 0.59 C ATOM 892 C GLY A 61 -8.609 -12.356 -11.751 1.00 0.56 C ATOM 893 O GLY A 61 -9.073 -11.305 -11.307 1.00 0.56 O ATOM 0 H GLY A 61 -7.791 -14.558 -13.543 1.00 0.64 H new ATOM 0 HA2 GLY A 61 -7.840 -12.288 -13.746 1.00 0.59 H new ATOM 0 HA3 GLY A 61 -9.590 -12.277 -13.650 1.00 0.59 H new ATOM 897 N THR A 62 -8.029 -13.286 -11.016 1.00 0.56 N ATOM 898 CA THR A 62 -7.871 -13.168 -9.586 1.00 0.54 C ATOM 899 C THR A 62 -6.446 -13.404 -9.149 1.00 0.50 C ATOM 900 O THR A 62 -5.746 -14.262 -9.695 1.00 0.51 O ATOM 901 CB THR A 62 -8.742 -14.161 -8.816 1.00 0.59 C ATOM 902 OG1 THR A 62 -9.208 -15.213 -9.675 1.00 0.65 O ATOM 903 CG2 THR A 62 -9.921 -13.460 -8.162 1.00 0.62 C ATOM 0 H THR A 62 -7.652 -14.151 -11.402 1.00 0.56 H new ATOM 0 HA THR A 62 -8.176 -12.147 -9.359 1.00 0.54 H new ATOM 0 HB THR A 62 -8.124 -14.601 -8.034 1.00 0.59 H new ATOM 0 HG1 THR A 62 -8.889 -16.076 -9.338 1.00 0.65 H new ATOM 0 HG21 THR A 62 -10.524 -14.190 -7.621 1.00 0.62 H new ATOM 0 HG22 THR A 62 -9.555 -12.705 -7.467 1.00 0.62 H new ATOM 0 HG23 THR A 62 -10.531 -12.982 -8.929 1.00 0.62 H new ATOM 911 N ILE A 63 -6.033 -12.626 -8.160 1.00 0.47 N ATOM 912 CA ILE A 63 -4.725 -12.738 -7.588 1.00 0.45 C ATOM 913 C ILE A 63 -4.858 -12.908 -6.074 1.00 0.46 C ATOM 914 O ILE A 63 -5.696 -12.278 -5.426 1.00 0.48 O ATOM 915 CB ILE A 63 -3.849 -11.526 -7.970 1.00 0.41 C ATOM 916 CG1 ILE A 63 -2.482 -11.974 -8.485 1.00 0.40 C ATOM 917 CG2 ILE A 63 -3.695 -10.576 -6.808 1.00 0.43 C ATOM 918 CD1 ILE A 63 -1.670 -10.846 -9.088 1.00 0.42 C ATOM 0 H ILE A 63 -6.610 -11.898 -7.738 1.00 0.47 H new ATOM 0 HA ILE A 63 -4.219 -13.617 -7.989 1.00 0.45 H new ATOM 0 HB ILE A 63 -4.357 -10.995 -8.775 1.00 0.41 H new ATOM 0 HG12 ILE A 63 -1.920 -12.418 -7.664 1.00 0.40 H new ATOM 0 HG13 ILE A 63 -2.621 -12.753 -9.234 1.00 0.40 H new ATOM 0 HG21 ILE A 63 -3.073 -9.733 -7.108 1.00 0.43 H new ATOM 0 HG22 ILE A 63 -4.676 -10.213 -6.502 1.00 0.43 H new ATOM 0 HG23 ILE A 63 -3.224 -11.095 -5.973 1.00 0.43 H new ATOM 0 HD11 ILE A 63 -0.711 -11.232 -9.434 1.00 0.42 H new ATOM 0 HD12 ILE A 63 -2.213 -10.416 -9.930 1.00 0.42 H new ATOM 0 HD13 ILE A 63 -1.501 -10.077 -8.335 1.00 0.42 H new ATOM 930 N ASP A 64 -4.042 -13.784 -5.553 1.00 0.48 N ATOM 931 CA ASP A 64 -4.016 -14.114 -4.136 1.00 0.51 C ATOM 932 C ASP A 64 -2.804 -13.472 -3.450 1.00 0.54 C ATOM 933 O ASP A 64 -2.064 -12.715 -4.081 1.00 0.54 O ATOM 934 CB ASP A 64 -3.992 -15.634 -3.995 1.00 0.57 C ATOM 935 CG ASP A 64 -5.371 -16.251 -4.116 1.00 0.65 C ATOM 936 OD1 ASP A 64 -6.056 -16.382 -3.080 1.00 1.25 O ATOM 937 OD2 ASP A 64 -5.767 -16.602 -5.247 1.00 1.33 O ATOM 0 H ASP A 64 -3.359 -14.304 -6.105 1.00 0.48 H new ATOM 0 HA ASP A 64 -4.906 -13.719 -3.646 1.00 0.51 H new ATOM 0 HB2 ASP A 64 -3.340 -16.056 -4.760 1.00 0.57 H new ATOM 0 HB3 ASP A 64 -3.563 -15.899 -3.029 1.00 0.57 H new ATOM 942 N PHE A 65 -2.597 -13.795 -2.160 1.00 0.62 N ATOM 943 CA PHE A 65 -1.481 -13.245 -1.367 1.00 0.73 C ATOM 944 C PHE A 65 -0.069 -13.651 -1.885 1.00 0.78 C ATOM 945 O PHE A 65 0.847 -12.830 -1.786 1.00 0.86 O ATOM 946 CB PHE A 65 -1.634 -13.603 0.128 1.00 0.82 C ATOM 947 CG PHE A 65 -1.853 -15.067 0.427 1.00 0.82 C ATOM 948 CD1 PHE A 65 -0.792 -15.877 0.800 1.00 1.39 C ATOM 949 CD2 PHE A 65 -3.119 -15.626 0.339 1.00 1.51 C ATOM 950 CE1 PHE A 65 -0.988 -17.216 1.078 1.00 1.43 C ATOM 951 CE2 PHE A 65 -3.321 -16.965 0.615 1.00 1.52 C ATOM 952 CZ PHE A 65 -2.254 -17.761 0.985 1.00 0.90 C ATOM 0 H PHE A 65 -3.193 -14.439 -1.641 1.00 0.62 H new ATOM 0 HA PHE A 65 -1.545 -12.164 -1.489 1.00 0.73 H new ATOM 0 HB2 PHE A 65 -0.740 -13.272 0.656 1.00 0.82 H new ATOM 0 HB3 PHE A 65 -2.472 -13.038 0.535 1.00 0.82 H new ATOM 0 HD1 PHE A 65 0.200 -15.456 0.874 1.00 1.39 H new ATOM 0 HD2 PHE A 65 -3.957 -15.008 0.051 1.00 1.51 H new ATOM 0 HE1 PHE A 65 -0.152 -17.836 1.368 1.00 1.43 H new ATOM 0 HE2 PHE A 65 -4.312 -17.389 0.542 1.00 1.52 H new ATOM 0 HZ PHE A 65 -2.409 -18.808 1.201 1.00 0.90 H new ATOM 962 N PRO A 66 0.160 -14.896 -2.443 1.00 0.79 N ATOM 963 CA PRO A 66 1.497 -15.298 -2.944 1.00 0.89 C ATOM 964 C PRO A 66 1.953 -14.507 -4.178 1.00 0.79 C ATOM 965 O PRO A 66 3.142 -14.208 -4.313 1.00 0.82 O ATOM 966 CB PRO A 66 1.331 -16.785 -3.299 1.00 0.98 C ATOM 967 CG PRO A 66 0.078 -17.217 -2.624 1.00 0.91 C ATOM 968 CD PRO A 66 -0.806 -16.008 -2.614 1.00 0.75 C ATOM 0 HA PRO A 66 2.264 -15.104 -2.194 1.00 0.89 H new ATOM 0 HB2 PRO A 66 1.264 -16.926 -4.378 1.00 0.98 H new ATOM 0 HB3 PRO A 66 2.184 -17.369 -2.953 1.00 0.98 H new ATOM 0 HG2 PRO A 66 -0.392 -18.043 -3.159 1.00 0.91 H new ATOM 0 HG3 PRO A 66 0.278 -17.566 -1.611 1.00 0.91 H new ATOM 0 HD2 PRO A 66 -1.372 -15.913 -3.541 1.00 0.75 H new ATOM 0 HD3 PRO A 66 -1.530 -16.043 -1.800 1.00 0.75 H new ATOM 976 N GLU A 67 1.004 -14.172 -5.070 1.00 0.69 N ATOM 977 CA GLU A 67 1.308 -13.421 -6.284 1.00 0.63 C ATOM 978 C GLU A 67 1.239 -11.908 -6.060 1.00 0.62 C ATOM 979 O GLU A 67 2.123 -11.180 -6.518 1.00 0.66 O ATOM 980 CB GLU A 67 0.391 -13.838 -7.423 1.00 0.61 C ATOM 981 CG GLU A 67 0.930 -14.989 -8.267 1.00 0.70 C ATOM 982 CD GLU A 67 2.089 -14.586 -9.166 1.00 1.12 C ATOM 983 OE1 GLU A 67 1.853 -14.344 -10.368 1.00 1.71 O ATOM 984 OE2 GLU A 67 3.231 -14.515 -8.666 1.00 1.94 O ATOM 0 H GLU A 67 0.019 -14.414 -4.965 1.00 0.69 H new ATOM 0 HA GLU A 67 2.335 -13.660 -6.559 1.00 0.63 H new ATOM 0 HB2 GLU A 67 -0.576 -14.126 -7.010 1.00 0.61 H new ATOM 0 HB3 GLU A 67 0.218 -12.978 -8.069 1.00 0.61 H new ATOM 0 HG2 GLU A 67 1.254 -15.793 -7.607 1.00 0.70 H new ATOM 0 HG3 GLU A 67 0.124 -15.387 -8.883 1.00 0.70 H new ATOM 991 N PHE A 68 0.160 -11.447 -5.389 1.00 0.63 N ATOM 992 CA PHE A 68 -0.064 -10.028 -5.039 1.00 0.72 C ATOM 993 C PHE A 68 1.230 -9.227 -4.798 1.00 0.79 C ATOM 994 O PHE A 68 1.436 -8.181 -5.419 1.00 0.87 O ATOM 995 CB PHE A 68 -0.966 -9.984 -3.789 1.00 0.88 C ATOM 996 CG PHE A 68 -1.494 -8.628 -3.413 1.00 0.91 C ATOM 997 CD1 PHE A 68 -2.707 -8.182 -3.907 1.00 1.54 C ATOM 998 CD2 PHE A 68 -0.784 -7.813 -2.548 1.00 1.84 C ATOM 999 CE1 PHE A 68 -3.202 -6.946 -3.544 1.00 2.15 C ATOM 1000 CE2 PHE A 68 -1.270 -6.576 -2.185 1.00 2.44 C ATOM 1001 CZ PHE A 68 -2.482 -6.142 -2.682 1.00 2.37 C ATOM 0 H PHE A 68 -0.590 -12.060 -5.071 1.00 0.63 H new ATOM 0 HA PHE A 68 -0.540 -9.547 -5.894 1.00 0.72 H new ATOM 0 HB2 PHE A 68 -1.813 -10.651 -3.951 1.00 0.88 H new ATOM 0 HB3 PHE A 68 -0.404 -10.382 -2.944 1.00 0.88 H new ATOM 0 HD1 PHE A 68 -3.272 -8.807 -4.583 1.00 1.54 H new ATOM 0 HD2 PHE A 68 0.163 -8.151 -2.153 1.00 1.84 H new ATOM 0 HE1 PHE A 68 -4.151 -6.608 -3.933 1.00 2.15 H new ATOM 0 HE2 PHE A 68 -0.704 -5.948 -1.513 1.00 2.44 H new ATOM 0 HZ PHE A 68 -2.867 -5.174 -2.397 1.00 2.37 H new ATOM 1011 N LEU A 69 2.086 -9.732 -3.913 1.00 0.81 N ATOM 1012 CA LEU A 69 3.339 -9.054 -3.563 1.00 0.89 C ATOM 1013 C LEU A 69 4.509 -9.385 -4.467 1.00 0.84 C ATOM 1014 O LEU A 69 5.520 -8.693 -4.416 1.00 0.89 O ATOM 1015 CB LEU A 69 3.766 -9.354 -2.143 1.00 0.99 C ATOM 1016 CG LEU A 69 3.309 -10.707 -1.601 1.00 0.97 C ATOM 1017 CD1 LEU A 69 3.881 -11.861 -2.417 1.00 0.92 C ATOM 1018 CD2 LEU A 69 3.715 -10.847 -0.154 1.00 1.14 C ATOM 0 H LEU A 69 1.937 -10.613 -3.421 1.00 0.81 H new ATOM 0 HA LEU A 69 3.098 -7.998 -3.687 1.00 0.89 H new ATOM 0 HB2 LEU A 69 4.854 -9.307 -2.090 1.00 0.99 H new ATOM 0 HB3 LEU A 69 3.381 -8.570 -1.491 1.00 0.99 H new ATOM 0 HG LEU A 69 2.223 -10.749 -1.680 1.00 0.97 H new ATOM 0 HD11 LEU A 69 3.534 -12.807 -2.002 1.00 0.92 H new ATOM 0 HD12 LEU A 69 3.548 -11.775 -3.451 1.00 0.92 H new ATOM 0 HD13 LEU A 69 4.970 -11.827 -2.382 1.00 0.92 H new ATOM 0 HD21 LEU A 69 3.385 -11.815 0.224 1.00 1.14 H new ATOM 0 HD22 LEU A 69 4.800 -10.776 -0.072 1.00 1.14 H new ATOM 0 HD23 LEU A 69 3.254 -10.052 0.432 1.00 1.14 H new ATOM 1030 N THR A 70 4.401 -10.464 -5.251 1.00 0.78 N ATOM 1031 CA THR A 70 5.485 -10.888 -6.165 1.00 0.78 C ATOM 1032 C THR A 70 6.038 -9.712 -6.969 1.00 0.80 C ATOM 1033 O THR A 70 7.150 -9.781 -7.490 1.00 0.79 O ATOM 1034 CB THR A 70 5.012 -12.013 -7.123 1.00 0.80 C ATOM 1035 OG1 THR A 70 4.333 -13.030 -6.379 1.00 0.79 O ATOM 1036 CG2 THR A 70 6.177 -12.647 -7.880 1.00 0.88 C ATOM 0 H THR A 70 3.577 -11.064 -5.276 1.00 0.78 H new ATOM 0 HA THR A 70 6.287 -11.281 -5.540 1.00 0.78 H new ATOM 0 HB THR A 70 4.339 -11.559 -7.850 1.00 0.80 H new ATOM 0 HG1 THR A 70 4.482 -12.889 -5.421 1.00 0.79 H new ATOM 0 HG21 THR A 70 5.800 -13.429 -8.539 1.00 0.88 H new ATOM 0 HG22 THR A 70 6.683 -11.885 -8.473 1.00 0.88 H new ATOM 0 HG23 THR A 70 6.881 -13.080 -7.169 1.00 0.88 H new ATOM 1044 N MET A 71 5.239 -8.651 -7.060 1.00 0.87 N ATOM 1045 CA MET A 71 5.639 -7.442 -7.738 1.00 0.96 C ATOM 1046 C MET A 71 6.384 -6.494 -6.806 1.00 0.97 C ATOM 1047 O MET A 71 7.293 -5.803 -7.259 1.00 1.00 O ATOM 1048 CB MET A 71 4.444 -6.753 -8.392 1.00 1.10 C ATOM 1049 CG MET A 71 3.939 -7.467 -9.637 1.00 1.15 C ATOM 1050 SD MET A 71 5.096 -7.376 -11.020 1.00 1.66 S ATOM 1051 CE MET A 71 4.761 -5.733 -11.655 1.00 1.68 C ATOM 0 H MET A 71 4.300 -8.615 -6.663 1.00 0.87 H new ATOM 0 HA MET A 71 6.332 -7.727 -8.530 1.00 0.96 H new ATOM 0 HB2 MET A 71 3.633 -6.685 -7.667 1.00 1.10 H new ATOM 0 HB3 MET A 71 4.722 -5.733 -8.656 1.00 1.10 H new ATOM 0 HG2 MET A 71 3.749 -8.513 -9.397 1.00 1.15 H new ATOM 0 HG3 MET A 71 2.986 -7.031 -9.938 1.00 1.15 H new ATOM 0 HE1 MET A 71 5.403 -5.537 -12.513 1.00 1.68 H new ATOM 0 HE2 MET A 71 3.717 -5.667 -11.961 1.00 1.68 H new ATOM 0 HE3 MET A 71 4.959 -4.995 -10.878 1.00 1.68 H new ATOM 1061 N MET A 72 6.018 -6.456 -5.505 1.00 0.99 N ATOM 1062 CA MET A 72 6.745 -5.606 -4.554 1.00 1.06 C ATOM 1063 C MET A 72 7.933 -6.398 -4.036 1.00 0.94 C ATOM 1064 O MET A 72 8.931 -5.834 -3.584 1.00 0.95 O ATOM 1065 CB MET A 72 5.846 -5.079 -3.413 1.00 1.23 C ATOM 1066 CG MET A 72 5.063 -6.152 -2.645 1.00 1.37 C ATOM 1067 SD MET A 72 5.360 -6.099 -0.864 1.00 2.19 S ATOM 1068 CE MET A 72 6.943 -6.932 -0.743 1.00 3.08 C ATOM 0 H MET A 72 5.246 -6.989 -5.104 1.00 0.99 H new ATOM 0 HA MET A 72 7.094 -4.708 -5.064 1.00 1.06 H new ATOM 0 HB2 MET A 72 6.469 -4.531 -2.706 1.00 1.23 H new ATOM 0 HB3 MET A 72 5.137 -4.365 -3.832 1.00 1.23 H new ATOM 0 HG2 MET A 72 3.997 -6.022 -2.835 1.00 1.37 H new ATOM 0 HG3 MET A 72 5.337 -7.136 -3.025 1.00 1.37 H new ATOM 0 HE1 MET A 72 7.178 -7.116 0.305 1.00 3.08 H new ATOM 0 HE2 MET A 72 6.896 -7.881 -1.277 1.00 3.08 H new ATOM 0 HE3 MET A 72 7.718 -6.306 -1.184 1.00 3.08 H new ATOM 1078 N ALA A 73 7.782 -7.728 -4.121 1.00 0.86 N ATOM 1079 CA ALA A 73 8.834 -8.665 -3.794 1.00 0.79 C ATOM 1080 C ALA A 73 9.794 -8.709 -4.979 1.00 0.71 C ATOM 1081 O ALA A 73 10.931 -9.170 -4.851 1.00 0.68 O ATOM 1082 CB ALA A 73 8.267 -10.046 -3.500 1.00 0.80 C ATOM 0 H ALA A 73 6.915 -8.173 -4.422 1.00 0.86 H new ATOM 0 HA ALA A 73 9.358 -8.344 -2.894 1.00 0.79 H new ATOM 0 HB1 ALA A 73 9.081 -10.729 -3.257 1.00 0.80 H new ATOM 0 HB2 ALA A 73 7.580 -9.985 -2.656 1.00 0.80 H new ATOM 0 HB3 ALA A 73 7.733 -10.414 -4.376 1.00 0.80 H new ATOM 1088 N ARG A 74 9.303 -8.218 -6.154 1.00 0.72 N ATOM 1089 CA ARG A 74 10.083 -8.123 -7.342 1.00 0.71 C ATOM 1090 C ARG A 74 11.036 -6.951 -7.225 1.00 0.73 C ATOM 1091 O ARG A 74 12.207 -7.058 -7.587 1.00 0.68 O ATOM 1092 CB ARG A 74 9.113 -7.921 -8.506 1.00 0.83 C ATOM 1093 CG ARG A 74 9.746 -7.469 -9.797 1.00 0.91 C ATOM 1094 CD ARG A 74 10.230 -8.634 -10.650 1.00 1.12 C ATOM 1095 NE ARG A 74 10.789 -8.183 -11.929 1.00 1.47 N ATOM 1096 CZ ARG A 74 11.235 -8.997 -12.898 1.00 1.90 C ATOM 1097 NH1 ARG A 74 11.198 -10.321 -12.757 1.00 2.18 N ATOM 1098 NH2 ARG A 74 11.722 -8.478 -14.016 1.00 2.55 N ATOM 0 H ARG A 74 8.345 -7.885 -6.264 1.00 0.72 H new ATOM 0 HA ARG A 74 10.676 -9.023 -7.503 1.00 0.71 H new ATOM 0 HB2 ARG A 74 8.587 -8.858 -8.686 1.00 0.83 H new ATOM 0 HB3 ARG A 74 8.364 -7.187 -8.211 1.00 0.83 H new ATOM 0 HG2 ARG A 74 9.024 -6.882 -10.365 1.00 0.91 H new ATOM 0 HG3 ARG A 74 10.587 -6.812 -9.575 1.00 0.91 H new ATOM 0 HD2 ARG A 74 10.986 -9.195 -10.101 1.00 1.12 H new ATOM 0 HD3 ARG A 74 9.400 -9.316 -10.837 1.00 1.12 H new ATOM 0 HE ARG A 74 10.843 -7.178 -12.094 1.00 1.47 H new ATOM 0 HH11 ARG A 74 10.826 -10.733 -11.901 1.00 2.18 H new ATOM 0 HH12 ARG A 74 11.542 -10.923 -13.505 1.00 2.18 H new ATOM 0 HH21 ARG A 74 11.756 -7.466 -14.136 1.00 2.55 H new ATOM 0 HH22 ARG A 74 12.063 -9.091 -14.757 1.00 2.55 H new ATOM 1112 N LYS A 75 10.505 -5.820 -6.732 1.00 0.86 N ATOM 1113 CA LYS A 75 11.294 -4.624 -6.509 1.00 0.95 C ATOM 1114 C LYS A 75 12.436 -4.928 -5.532 1.00 0.90 C ATOM 1115 O LYS A 75 13.393 -4.161 -5.397 1.00 0.96 O ATOM 1116 CB LYS A 75 10.376 -3.508 -6.020 1.00 1.19 C ATOM 1117 CG LYS A 75 9.030 -3.536 -6.737 1.00 1.28 C ATOM 1118 CD LYS A 75 9.133 -3.102 -8.186 1.00 1.40 C ATOM 1119 CE LYS A 75 7.826 -3.318 -8.928 1.00 2.25 C ATOM 1120 NZ LYS A 75 7.925 -2.915 -10.358 1.00 2.99 N ATOM 0 H LYS A 75 9.521 -5.721 -6.482 1.00 0.86 H new ATOM 0 HA LYS A 75 11.757 -4.288 -7.437 1.00 0.95 H new ATOM 0 HB2 LYS A 75 10.219 -3.609 -4.946 1.00 1.19 H new ATOM 0 HB3 LYS A 75 10.856 -2.543 -6.183 1.00 1.19 H new ATOM 0 HG2 LYS A 75 8.619 -4.545 -6.692 1.00 1.28 H new ATOM 0 HG3 LYS A 75 8.330 -2.883 -6.215 1.00 1.28 H new ATOM 0 HD2 LYS A 75 9.409 -2.048 -8.232 1.00 1.40 H new ATOM 0 HD3 LYS A 75 9.928 -3.661 -8.678 1.00 1.40 H new ATOM 0 HE2 LYS A 75 7.543 -4.369 -8.866 1.00 2.25 H new ATOM 0 HE3 LYS A 75 7.035 -2.746 -8.444 1.00 2.25 H new ATOM 0 HZ1 LYS A 75 6.998 -3.030 -10.816 1.00 2.99 H new ATOM 0 HZ2 LYS A 75 8.220 -1.919 -10.419 1.00 2.99 H new ATOM 0 HZ3 LYS A 75 8.626 -3.513 -10.840 1.00 2.99 H new ATOM 1134 N MET A 76 12.287 -6.085 -4.856 1.00 0.85 N ATOM 1135 CA MET A 76 13.265 -6.619 -3.929 1.00 0.93 C ATOM 1136 C MET A 76 14.313 -7.420 -4.704 1.00 0.83 C ATOM 1137 O MET A 76 15.508 -7.328 -4.407 1.00 0.93 O ATOM 1138 CB MET A 76 12.610 -7.531 -2.879 1.00 1.07 C ATOM 1139 CG MET A 76 11.371 -6.942 -2.229 1.00 0.96 C ATOM 1140 SD MET A 76 10.599 -8.054 -1.034 1.00 1.64 S ATOM 1141 CE MET A 76 11.643 -7.812 0.403 1.00 2.37 C ATOM 0 H MET A 76 11.461 -6.675 -4.952 1.00 0.85 H new ATOM 0 HA MET A 76 13.731 -5.781 -3.410 1.00 0.93 H new ATOM 0 HB2 MET A 76 12.344 -8.477 -3.351 1.00 1.07 H new ATOM 0 HB3 MET A 76 13.341 -7.756 -2.103 1.00 1.07 H new ATOM 0 HG2 MET A 76 11.638 -6.011 -1.729 1.00 0.96 H new ATOM 0 HG3 MET A 76 10.646 -6.691 -3.004 1.00 0.96 H new ATOM 0 HE1 MET A 76 11.286 -8.437 1.222 1.00 2.37 H new ATOM 0 HE2 MET A 76 12.669 -8.087 0.158 1.00 2.37 H new ATOM 0 HE3 MET A 76 11.610 -6.765 0.704 1.00 2.37 H new ATOM 1151 N LYS A 77 13.853 -8.213 -5.707 1.00 0.72 N ATOM 1152 CA LYS A 77 14.765 -9.013 -6.525 1.00 0.79 C ATOM 1153 C LYS A 77 15.384 -8.193 -7.676 1.00 0.78 C ATOM 1154 O LYS A 77 16.344 -8.633 -8.315 1.00 0.91 O ATOM 1155 CB LYS A 77 14.071 -10.295 -7.017 1.00 0.86 C ATOM 1156 CG LYS A 77 12.959 -10.122 -8.047 1.00 0.76 C ATOM 1157 CD LYS A 77 11.701 -10.884 -7.622 1.00 0.89 C ATOM 1158 CE LYS A 77 11.872 -12.404 -7.692 1.00 0.96 C ATOM 1159 NZ LYS A 77 10.632 -13.121 -7.284 1.00 1.75 N ATOM 0 H LYS A 77 12.868 -8.306 -5.956 1.00 0.72 H new ATOM 0 HA LYS A 77 15.601 -9.317 -5.896 1.00 0.79 H new ATOM 0 HB2 LYS A 77 14.830 -10.950 -7.443 1.00 0.86 H new ATOM 0 HB3 LYS A 77 13.655 -10.810 -6.151 1.00 0.86 H new ATOM 0 HG2 LYS A 77 12.726 -9.063 -8.163 1.00 0.76 H new ATOM 0 HG3 LYS A 77 13.297 -10.483 -9.018 1.00 0.76 H new ATOM 0 HD2 LYS A 77 11.437 -10.600 -6.603 1.00 0.89 H new ATOM 0 HD3 LYS A 77 10.869 -10.587 -8.261 1.00 0.89 H new ATOM 0 HE2 LYS A 77 12.141 -12.693 -8.708 1.00 0.96 H new ATOM 0 HE3 LYS A 77 12.696 -12.707 -7.046 1.00 0.96 H new ATOM 0 HZ1 LYS A 77 10.788 -14.147 -7.345 1.00 1.75 H new ATOM 0 HZ2 LYS A 77 10.389 -12.865 -6.306 1.00 1.75 H new ATOM 0 HZ3 LYS A 77 9.851 -12.852 -7.916 1.00 1.75 H new ATOM 1173 N ASP A 78 14.814 -7.007 -7.918 1.00 0.74 N ATOM 1174 CA ASP A 78 15.293 -6.084 -8.951 1.00 0.79 C ATOM 1175 C ASP A 78 15.793 -4.792 -8.305 1.00 0.77 C ATOM 1176 O ASP A 78 15.200 -4.314 -7.334 1.00 0.80 O ATOM 1177 CB ASP A 78 14.174 -5.768 -9.948 1.00 0.84 C ATOM 1178 CG ASP A 78 13.846 -6.946 -10.848 1.00 1.19 C ATOM 1179 OD1 ASP A 78 14.248 -6.919 -12.030 1.00 1.66 O ATOM 1180 OD2 ASP A 78 13.192 -7.895 -10.368 1.00 1.92 O ATOM 0 H ASP A 78 14.006 -6.660 -7.401 1.00 0.74 H new ATOM 0 HA ASP A 78 16.115 -6.559 -9.487 1.00 0.79 H new ATOM 0 HB2 ASP A 78 13.278 -5.472 -9.402 1.00 0.84 H new ATOM 0 HB3 ASP A 78 14.469 -4.917 -10.562 1.00 0.84 H new ATOM 1185 N THR A 79 16.886 -4.231 -8.848 1.00 0.79 N ATOM 1186 CA THR A 79 17.479 -3.001 -8.319 1.00 0.82 C ATOM 1187 C THR A 79 16.843 -1.746 -8.903 1.00 0.73 C ATOM 1188 O THR A 79 17.458 -0.673 -8.964 1.00 0.78 O ATOM 1189 CB THR A 79 19.011 -2.953 -8.505 1.00 0.99 C ATOM 1190 OG1 THR A 79 19.350 -3.215 -9.872 1.00 1.03 O ATOM 1191 CG2 THR A 79 19.712 -3.958 -7.598 1.00 1.15 C ATOM 0 H THR A 79 17.375 -4.615 -9.656 1.00 0.79 H new ATOM 0 HA THR A 79 17.269 -3.020 -7.250 1.00 0.82 H new ATOM 0 HB THR A 79 19.350 -1.954 -8.232 1.00 0.99 H new ATOM 0 HG1 THR A 79 20.323 -3.181 -9.980 1.00 1.03 H new ATOM 0 HG21 THR A 79 20.789 -3.899 -7.753 1.00 1.15 H new ATOM 0 HG22 THR A 79 19.483 -3.731 -6.557 1.00 1.15 H new ATOM 0 HG23 THR A 79 19.366 -4.964 -7.834 1.00 1.15 H new ATOM 1199 N ASP A 80 15.592 -1.900 -9.304 1.00 0.66 N ATOM 1200 CA ASP A 80 14.793 -0.809 -9.849 1.00 0.67 C ATOM 1201 C ASP A 80 14.159 0.004 -8.706 1.00 0.66 C ATOM 1202 O ASP A 80 13.347 0.904 -8.936 1.00 0.74 O ATOM 1203 CB ASP A 80 13.708 -1.356 -10.786 1.00 0.77 C ATOM 1204 CG ASP A 80 14.276 -1.903 -12.083 1.00 1.18 C ATOM 1205 OD1 ASP A 80 14.395 -1.126 -13.054 1.00 1.72 O ATOM 1206 OD2 ASP A 80 14.603 -3.108 -12.127 1.00 1.86 O ATOM 0 H ASP A 80 15.097 -2.791 -9.261 1.00 0.66 H new ATOM 0 HA ASP A 80 15.444 -0.152 -10.425 1.00 0.67 H new ATOM 0 HB2 ASP A 80 13.156 -2.145 -10.275 1.00 0.77 H new ATOM 0 HB3 ASP A 80 12.995 -0.563 -11.012 1.00 0.77 H new ATOM 1211 N SER A 81 14.592 -0.318 -7.471 1.00 0.67 N ATOM 1212 CA SER A 81 14.105 0.310 -6.230 1.00 0.75 C ATOM 1213 C SER A 81 14.425 1.816 -6.124 1.00 0.68 C ATOM 1214 O SER A 81 13.838 2.511 -5.289 1.00 0.76 O ATOM 1215 CB SER A 81 14.714 -0.431 -5.034 1.00 0.92 C ATOM 1216 OG SER A 81 14.229 0.075 -3.799 1.00 1.07 O ATOM 0 H SER A 81 15.301 -1.033 -7.307 1.00 0.67 H new ATOM 0 HA SER A 81 13.018 0.233 -6.238 1.00 0.75 H new ATOM 0 HB2 SER A 81 14.482 -1.493 -5.108 1.00 0.92 H new ATOM 0 HB3 SER A 81 15.800 -0.339 -5.064 1.00 0.92 H new ATOM 0 HG SER A 81 13.975 1.015 -3.908 1.00 1.07 H new ATOM 1222 N GLU A 82 15.346 2.310 -6.964 1.00 0.62 N ATOM 1223 CA GLU A 82 15.759 3.721 -6.930 1.00 0.63 C ATOM 1224 C GLU A 82 14.833 4.644 -7.744 1.00 0.57 C ATOM 1225 O GLU A 82 14.533 5.758 -7.303 1.00 0.58 O ATOM 1226 CB GLU A 82 17.203 3.848 -7.437 1.00 0.72 C ATOM 1227 CG GLU A 82 17.956 5.047 -6.870 1.00 0.78 C ATOM 1228 CD GLU A 82 19.372 5.151 -7.402 1.00 1.34 C ATOM 1229 OE1 GLU A 82 19.565 5.798 -8.453 1.00 1.65 O ATOM 1230 OE2 GLU A 82 20.287 4.585 -6.769 1.00 2.12 O ATOM 0 H GLU A 82 15.819 1.753 -7.676 1.00 0.62 H new ATOM 0 HA GLU A 82 15.690 4.048 -5.892 1.00 0.63 H new ATOM 0 HB2 GLU A 82 17.747 2.938 -7.185 1.00 0.72 H new ATOM 0 HB3 GLU A 82 17.190 3.921 -8.524 1.00 0.72 H new ATOM 0 HG2 GLU A 82 17.413 5.960 -7.113 1.00 0.78 H new ATOM 0 HG3 GLU A 82 17.985 4.972 -5.783 1.00 0.78 H new ATOM 1237 N GLU A 83 14.389 4.182 -8.918 1.00 0.55 N ATOM 1238 CA GLU A 83 13.526 4.988 -9.801 1.00 0.58 C ATOM 1239 C GLU A 83 12.031 4.851 -9.479 1.00 0.59 C ATOM 1240 O GLU A 83 11.227 5.684 -9.910 1.00 0.65 O ATOM 1241 CB GLU A 83 13.767 4.607 -11.266 1.00 0.64 C ATOM 1242 CG GLU A 83 15.099 5.095 -11.818 1.00 0.71 C ATOM 1243 CD GLU A 83 15.313 4.693 -13.264 1.00 0.94 C ATOM 1244 OE1 GLU A 83 15.865 3.598 -13.501 1.00 1.76 O ATOM 1245 OE2 GLU A 83 14.927 5.472 -14.160 1.00 1.27 O ATOM 0 H GLU A 83 14.611 3.255 -9.282 1.00 0.55 H new ATOM 0 HA GLU A 83 13.798 6.029 -9.628 1.00 0.58 H new ATOM 0 HB2 GLU A 83 13.721 3.522 -11.362 1.00 0.64 H new ATOM 0 HB3 GLU A 83 12.961 5.016 -11.875 1.00 0.64 H new ATOM 0 HG2 GLU A 83 15.146 6.181 -11.736 1.00 0.71 H new ATOM 0 HG3 GLU A 83 15.909 4.694 -11.209 1.00 0.71 H new ATOM 1252 N GLU A 84 11.666 3.807 -8.727 1.00 0.60 N ATOM 1253 CA GLU A 84 10.262 3.549 -8.364 1.00 0.68 C ATOM 1254 C GLU A 84 9.821 4.294 -7.095 1.00 0.63 C ATOM 1255 O GLU A 84 8.722 4.840 -7.047 1.00 0.69 O ATOM 1256 CB GLU A 84 10.017 2.037 -8.191 1.00 0.80 C ATOM 1257 CG GLU A 84 10.973 1.341 -7.224 1.00 1.14 C ATOM 1258 CD GLU A 84 10.697 -0.140 -7.084 1.00 1.74 C ATOM 1259 OE1 GLU A 84 9.938 -0.516 -6.167 1.00 2.23 O ATOM 1260 OE2 GLU A 84 11.243 -0.924 -7.888 1.00 2.31 O ATOM 0 H GLU A 84 12.324 3.122 -8.355 1.00 0.60 H new ATOM 0 HA GLU A 84 9.658 3.931 -9.187 1.00 0.68 H new ATOM 0 HB2 GLU A 84 8.995 1.886 -7.842 1.00 0.80 H new ATOM 0 HB3 GLU A 84 10.095 1.556 -9.166 1.00 0.80 H new ATOM 0 HG2 GLU A 84 11.997 1.483 -7.569 1.00 1.14 H new ATOM 0 HG3 GLU A 84 10.898 1.813 -6.244 1.00 1.14 H new ATOM 1267 N ILE A 85 10.695 4.302 -6.080 1.00 0.57 N ATOM 1268 CA ILE A 85 10.417 4.931 -4.774 1.00 0.54 C ATOM 1269 C ILE A 85 10.057 6.432 -4.866 1.00 0.50 C ATOM 1270 O ILE A 85 9.292 6.930 -4.034 1.00 0.50 O ATOM 1271 CB ILE A 85 11.612 4.675 -3.797 1.00 0.54 C ATOM 1272 CG1 ILE A 85 11.153 4.689 -2.331 1.00 0.52 C ATOM 1273 CG2 ILE A 85 12.763 5.660 -4.002 1.00 0.57 C ATOM 1274 CD1 ILE A 85 11.388 3.376 -1.612 1.00 0.57 C ATOM 0 H ILE A 85 11.618 3.872 -6.138 1.00 0.57 H new ATOM 0 HA ILE A 85 9.520 4.456 -4.375 1.00 0.54 H new ATOM 0 HB ILE A 85 11.989 3.680 -4.035 1.00 0.54 H new ATOM 0 HG12 ILE A 85 11.679 5.483 -1.801 1.00 0.52 H new ATOM 0 HG13 ILE A 85 10.091 4.930 -2.293 1.00 0.52 H new ATOM 0 HG21 ILE A 85 13.564 5.435 -3.298 1.00 0.57 H new ATOM 0 HG22 ILE A 85 13.140 5.572 -5.021 1.00 0.57 H new ATOM 0 HG23 ILE A 85 12.407 6.676 -3.834 1.00 0.57 H new ATOM 0 HD11 ILE A 85 11.040 3.458 -0.582 1.00 0.57 H new ATOM 0 HD12 ILE A 85 10.840 2.581 -2.118 1.00 0.57 H new ATOM 0 HD13 ILE A 85 12.453 3.143 -1.618 1.00 0.57 H new ATOM 1286 N ARG A 86 10.604 7.135 -5.865 1.00 0.50 N ATOM 1287 CA ARG A 86 10.331 8.554 -6.054 1.00 0.50 C ATOM 1288 C ARG A 86 8.974 8.778 -6.733 1.00 0.52 C ATOM 1289 O ARG A 86 8.317 9.796 -6.496 1.00 0.53 O ATOM 1290 CB ARG A 86 11.450 9.211 -6.860 1.00 0.54 C ATOM 1291 CG ARG A 86 12.847 8.658 -6.597 1.00 1.10 C ATOM 1292 CD ARG A 86 13.919 9.620 -7.075 1.00 1.26 C ATOM 1293 NE ARG A 86 15.271 9.098 -6.846 1.00 1.79 N ATOM 1294 CZ ARG A 86 16.403 9.746 -7.158 1.00 2.08 C ATOM 1295 NH1 ARG A 86 16.375 10.954 -7.718 1.00 1.78 N ATOM 1296 NH2 ARG A 86 17.574 9.176 -6.905 1.00 2.95 N ATOM 0 H ARG A 86 11.241 6.736 -6.555 1.00 0.50 H new ATOM 0 HA ARG A 86 10.290 9.020 -5.069 1.00 0.50 H new ATOM 0 HB2 ARG A 86 11.226 9.100 -7.921 1.00 0.54 H new ATOM 0 HB3 ARG A 86 11.453 10.280 -6.645 1.00 0.54 H new ATOM 0 HG2 ARG A 86 12.972 8.472 -5.530 1.00 1.10 H new ATOM 0 HG3 ARG A 86 12.963 7.700 -7.104 1.00 1.10 H new ATOM 0 HD2 ARG A 86 13.782 9.816 -8.138 1.00 1.26 H new ATOM 0 HD3 ARG A 86 13.807 10.573 -6.558 1.00 1.26 H new ATOM 0 HE ARG A 86 15.356 8.176 -6.419 1.00 1.79 H new ATOM 0 HH11 ARG A 86 15.481 11.403 -7.917 1.00 1.78 H new ATOM 0 HH12 ARG A 86 17.247 11.430 -7.948 1.00 1.78 H new ATOM 0 HH21 ARG A 86 17.609 8.251 -6.476 1.00 2.95 H new ATOM 0 HH22 ARG A 86 18.439 9.663 -7.139 1.00 2.95 H new ATOM 1310 N GLU A 87 8.567 7.817 -7.577 1.00 0.57 N ATOM 1311 CA GLU A 87 7.268 7.865 -8.270 1.00 0.63 C ATOM 1312 C GLU A 87 6.203 7.247 -7.376 1.00 0.62 C ATOM 1313 O GLU A 87 5.025 7.609 -7.442 1.00 0.65 O ATOM 1314 CB GLU A 87 7.337 7.128 -9.611 1.00 0.73 C ATOM 1315 CG GLU A 87 8.297 7.757 -10.617 1.00 0.77 C ATOM 1316 CD GLU A 87 7.682 8.922 -11.372 1.00 1.39 C ATOM 1317 OE1 GLU A 87 7.080 8.686 -12.441 1.00 2.08 O ATOM 1318 OE2 GLU A 87 7.803 10.070 -10.894 1.00 2.02 O ATOM 0 H GLU A 87 9.123 6.991 -7.798 1.00 0.57 H new ATOM 0 HA GLU A 87 7.012 8.904 -8.476 1.00 0.63 H new ATOM 0 HB2 GLU A 87 7.640 6.096 -9.432 1.00 0.73 H new ATOM 0 HB3 GLU A 87 6.339 7.096 -10.048 1.00 0.73 H new ATOM 0 HG2 GLU A 87 9.190 8.100 -10.094 1.00 0.77 H new ATOM 0 HG3 GLU A 87 8.617 6.997 -11.330 1.00 0.77 H new ATOM 1325 N ALA A 88 6.653 6.301 -6.538 1.00 0.60 N ATOM 1326 CA ALA A 88 5.814 5.652 -5.531 1.00 0.62 C ATOM 1327 C ALA A 88 5.457 6.682 -4.465 1.00 0.55 C ATOM 1328 O ALA A 88 4.549 6.483 -3.664 1.00 0.56 O ATOM 1329 CB ALA A 88 6.519 4.445 -4.936 1.00 0.70 C ATOM 0 H ALA A 88 7.616 5.966 -6.544 1.00 0.60 H new ATOM 0 HA ALA A 88 4.897 5.282 -5.990 1.00 0.62 H new ATOM 0 HB1 ALA A 88 5.875 3.979 -4.190 1.00 0.70 H new ATOM 0 HB2 ALA A 88 6.739 3.726 -5.725 1.00 0.70 H new ATOM 0 HB3 ALA A 88 7.449 4.763 -4.465 1.00 0.70 H new ATOM 1335 N PHE A 89 6.243 7.772 -4.460 1.00 0.51 N ATOM 1336 CA PHE A 89 6.021 8.915 -3.579 1.00 0.49 C ATOM 1337 C PHE A 89 4.882 9.748 -4.133 1.00 0.47 C ATOM 1338 O PHE A 89 4.027 10.222 -3.383 1.00 0.47 O ATOM 1339 CB PHE A 89 7.230 9.846 -3.521 1.00 0.51 C ATOM 1340 CG PHE A 89 7.319 10.612 -2.232 1.00 0.53 C ATOM 1341 CD1 PHE A 89 7.839 10.027 -1.090 1.00 1.27 C ATOM 1342 CD2 PHE A 89 6.858 11.916 -2.163 1.00 1.19 C ATOM 1343 CE1 PHE A 89 7.895 10.729 0.094 1.00 1.29 C ATOM 1344 CE2 PHE A 89 6.915 12.624 -0.982 1.00 1.22 C ATOM 1345 CZ PHE A 89 7.431 12.030 0.149 1.00 0.65 C ATOM 0 H PHE A 89 7.052 7.879 -5.072 1.00 0.51 H new ATOM 0 HA PHE A 89 5.816 8.514 -2.587 1.00 0.49 H new ATOM 0 HB2 PHE A 89 8.140 9.260 -3.653 1.00 0.51 H new ATOM 0 HB3 PHE A 89 7.181 10.549 -4.352 1.00 0.51 H new ATOM 0 HD1 PHE A 89 8.204 9.011 -1.128 1.00 1.27 H new ATOM 0 HD2 PHE A 89 6.449 12.384 -3.046 1.00 1.19 H new ATOM 0 HE1 PHE A 89 8.301 10.263 0.979 1.00 1.29 H new ATOM 0 HE2 PHE A 89 6.556 13.642 -0.943 1.00 1.22 H new ATOM 0 HZ PHE A 89 7.473 12.580 1.077 1.00 0.65 H new ATOM 1355 N ARG A 90 4.889 9.918 -5.474 1.00 0.50 N ATOM 1356 CA ARG A 90 3.878 10.714 -6.158 1.00 0.54 C ATOM 1357 C ARG A 90 2.472 10.144 -5.942 1.00 0.54 C ATOM 1358 O ARG A 90 1.463 10.830 -6.122 1.00 0.60 O ATOM 1359 CB ARG A 90 4.188 10.791 -7.652 1.00 0.62 C ATOM 1360 CG ARG A 90 4.136 12.198 -8.220 1.00 1.26 C ATOM 1361 CD ARG A 90 3.932 12.171 -9.724 1.00 1.50 C ATOM 1362 NE ARG A 90 3.885 13.519 -10.299 1.00 2.03 N ATOM 1363 CZ ARG A 90 3.706 13.789 -11.600 1.00 2.50 C ATOM 1364 NH1 ARG A 90 3.555 12.812 -12.493 1.00 2.61 N ATOM 1365 NH2 ARG A 90 3.680 15.050 -12.010 1.00 3.17 N ATOM 0 H ARG A 90 5.589 9.509 -6.093 1.00 0.50 H new ATOM 0 HA ARG A 90 3.902 11.717 -5.733 1.00 0.54 H new ATOM 0 HB2 ARG A 90 5.180 10.375 -7.829 1.00 0.62 H new ATOM 0 HB3 ARG A 90 3.478 10.165 -8.193 1.00 0.62 H new ATOM 0 HG2 ARG A 90 3.325 12.754 -7.749 1.00 1.26 H new ATOM 0 HG3 ARG A 90 5.061 12.723 -7.984 1.00 1.26 H new ATOM 0 HD2 ARG A 90 4.741 11.607 -10.189 1.00 1.50 H new ATOM 0 HD3 ARG A 90 3.005 11.647 -9.954 1.00 1.50 H new ATOM 0 HE ARG A 90 3.997 14.309 -9.663 1.00 2.03 H new ATOM 0 HH11 ARG A 90 3.574 11.838 -12.191 1.00 2.61 H new ATOM 0 HH12 ARG A 90 3.420 13.038 -13.478 1.00 2.61 H new ATOM 0 HH21 ARG A 90 3.796 15.808 -11.337 1.00 3.17 H new ATOM 0 HH22 ARG A 90 3.544 15.262 -12.998 1.00 3.17 H new ATOM 1379 N VAL A 91 2.455 8.870 -5.559 1.00 0.51 N ATOM 1380 CA VAL A 91 1.255 8.106 -5.254 1.00 0.53 C ATOM 1381 C VAL A 91 0.406 8.788 -4.155 1.00 0.54 C ATOM 1382 O VAL A 91 -0.821 8.876 -4.258 1.00 0.60 O ATOM 1383 CB VAL A 91 1.709 6.685 -4.812 1.00 0.51 C ATOM 1384 CG1 VAL A 91 1.740 6.520 -3.293 1.00 0.47 C ATOM 1385 CG2 VAL A 91 0.868 5.619 -5.477 1.00 0.59 C ATOM 0 H VAL A 91 3.310 8.324 -5.449 1.00 0.51 H new ATOM 0 HA VAL A 91 0.617 8.047 -6.136 1.00 0.53 H new ATOM 0 HB VAL A 91 2.738 6.560 -5.148 1.00 0.51 H new ATOM 0 HG11 VAL A 91 2.064 5.510 -3.043 1.00 0.47 H new ATOM 0 HG12 VAL A 91 2.436 7.241 -2.863 1.00 0.47 H new ATOM 0 HG13 VAL A 91 0.743 6.692 -2.888 1.00 0.47 H new ATOM 0 HG21 VAL A 91 1.205 4.635 -5.152 1.00 0.59 H new ATOM 0 HG22 VAL A 91 -0.177 5.755 -5.200 1.00 0.59 H new ATOM 0 HG23 VAL A 91 0.969 5.698 -6.559 1.00 0.59 H new ATOM 1395 N PHE A 92 1.107 9.256 -3.116 1.00 0.49 N ATOM 1396 CA PHE A 92 0.517 9.922 -1.974 1.00 0.54 C ATOM 1397 C PHE A 92 0.769 11.421 -2.089 1.00 0.60 C ATOM 1398 O PHE A 92 -0.053 12.237 -1.661 1.00 0.69 O ATOM 1399 CB PHE A 92 1.121 9.308 -0.682 1.00 0.53 C ATOM 1400 CG PHE A 92 0.710 9.891 0.658 1.00 1.18 C ATOM 1401 CD1 PHE A 92 1.017 11.199 1.017 1.00 1.94 C ATOM 1402 CD2 PHE A 92 0.052 9.093 1.580 1.00 1.92 C ATOM 1403 CE1 PHE A 92 0.667 11.692 2.260 1.00 2.69 C ATOM 1404 CE2 PHE A 92 -0.303 9.585 2.820 1.00 2.68 C ATOM 1405 CZ PHE A 92 0.004 10.883 3.161 1.00 2.89 C ATOM 0 H PHE A 92 2.122 9.175 -3.055 1.00 0.49 H new ATOM 0 HA PHE A 92 -0.563 9.778 -1.938 1.00 0.54 H new ATOM 0 HB2 PHE A 92 0.873 8.247 -0.672 1.00 0.53 H new ATOM 0 HB3 PHE A 92 2.206 9.381 -0.756 1.00 0.53 H new ATOM 0 HD1 PHE A 92 1.535 11.837 0.316 1.00 1.94 H new ATOM 0 HD2 PHE A 92 -0.187 8.071 1.325 1.00 1.92 H new ATOM 0 HE1 PHE A 92 0.912 12.710 2.526 1.00 2.69 H new ATOM 0 HE2 PHE A 92 -0.822 8.951 3.523 1.00 2.68 H new ATOM 0 HZ PHE A 92 -0.273 11.268 4.131 1.00 2.89 H new ATOM 1415 N ALA A 93 1.921 11.759 -2.675 1.00 0.57 N ATOM 1416 CA ALA A 93 2.315 13.149 -2.887 1.00 0.66 C ATOM 1417 C ALA A 93 1.615 13.743 -4.111 1.00 0.85 C ATOM 1418 O ALA A 93 1.791 13.256 -5.232 1.00 1.63 O ATOM 1419 CB ALA A 93 3.831 13.276 -3.024 1.00 0.65 C ATOM 0 H ALA A 93 2.602 11.079 -3.013 1.00 0.57 H new ATOM 0 HA ALA A 93 2.003 13.715 -2.010 1.00 0.66 H new ATOM 0 HB1 ALA A 93 4.096 14.322 -3.181 1.00 0.65 H new ATOM 0 HB2 ALA A 93 4.310 12.913 -2.115 1.00 0.65 H new ATOM 0 HB3 ALA A 93 4.170 12.684 -3.874 1.00 0.65 H new ATOM 1425 N LYS A 94 0.818 14.799 -3.883 1.00 1.24 N ATOM 1426 CA LYS A 94 0.079 15.466 -4.967 1.00 1.42 C ATOM 1427 C LYS A 94 0.975 16.398 -5.761 1.00 1.36 C ATOM 1428 O LYS A 94 0.811 16.553 -6.975 1.00 1.78 O ATOM 1429 CB LYS A 94 -1.138 16.223 -4.425 1.00 1.75 C ATOM 1430 CG LYS A 94 -2.273 15.319 -3.968 1.00 2.06 C ATOM 1431 CD LYS A 94 -3.449 16.125 -3.440 1.00 2.52 C ATOM 1432 CE LYS A 94 -4.583 15.221 -2.982 1.00 2.90 C ATOM 1433 NZ LYS A 94 -5.740 16.002 -2.463 1.00 3.37 N ATOM 0 H LYS A 94 0.669 15.208 -2.961 1.00 1.24 H new ATOM 0 HA LYS A 94 -0.276 14.687 -5.641 1.00 1.42 H new ATOM 0 HB2 LYS A 94 -0.823 16.846 -3.588 1.00 1.75 H new ATOM 0 HB3 LYS A 94 -1.510 16.894 -5.199 1.00 1.75 H new ATOM 0 HG2 LYS A 94 -2.602 14.697 -4.800 1.00 2.06 H new ATOM 0 HG3 LYS A 94 -1.913 14.646 -3.190 1.00 2.06 H new ATOM 0 HD2 LYS A 94 -3.120 16.748 -2.608 1.00 2.52 H new ATOM 0 HD3 LYS A 94 -3.810 16.797 -4.219 1.00 2.52 H new ATOM 0 HE2 LYS A 94 -4.910 14.598 -3.815 1.00 2.90 H new ATOM 0 HE3 LYS A 94 -4.220 14.549 -2.204 1.00 2.90 H new ATOM 0 HZ1 LYS A 94 -6.492 15.350 -2.161 1.00 3.37 H new ATOM 0 HZ2 LYS A 94 -5.435 16.578 -1.652 1.00 3.37 H new ATOM 0 HZ3 LYS A 94 -6.103 16.625 -3.213 1.00 3.37 H new ATOM 1447 N ASP A 95 1.914 17.009 -5.058 1.00 1.40 N ATOM 1448 CA ASP A 95 2.901 17.892 -5.672 1.00 1.71 C ATOM 1449 C ASP A 95 4.133 17.062 -6.019 1.00 1.53 C ATOM 1450 O ASP A 95 5.134 17.579 -6.530 1.00 1.84 O ATOM 1451 CB ASP A 95 3.297 19.037 -4.725 1.00 2.30 C ATOM 1452 CG ASP A 95 2.107 19.845 -4.234 1.00 2.81 C ATOM 1453 OD1 ASP A 95 1.542 19.487 -3.179 1.00 3.23 O ATOM 1454 OD2 ASP A 95 1.744 20.835 -4.903 1.00 3.21 O ATOM 0 H ASP A 95 2.017 16.910 -4.048 1.00 1.40 H new ATOM 0 HA ASP A 95 2.470 18.340 -6.568 1.00 1.71 H new ATOM 0 HB2 ASP A 95 3.827 18.624 -3.867 1.00 2.30 H new ATOM 0 HB3 ASP A 95 3.992 19.701 -5.239 1.00 2.30 H new ATOM 1459 N GLY A 96 4.025 15.746 -5.744 1.00 1.38 N ATOM 1460 CA GLY A 96 5.124 14.816 -5.976 1.00 1.83 C ATOM 1461 C GLY A 96 6.188 14.883 -4.886 1.00 1.85 C ATOM 1462 O GLY A 96 6.706 13.852 -4.450 1.00 2.43 O ATOM 0 H GLY A 96 3.184 15.314 -5.361 1.00 1.38 H new ATOM 0 HA2 GLY A 96 4.731 13.801 -6.033 1.00 1.83 H new ATOM 0 HA3 GLY A 96 5.583 15.034 -6.940 1.00 1.83 H new ATOM 1466 N ASN A 97 6.490 16.117 -4.446 1.00 1.55 N ATOM 1467 CA ASN A 97 7.492 16.400 -3.422 1.00 1.99 C ATOM 1468 C ASN A 97 7.253 17.784 -2.792 1.00 1.78 C ATOM 1469 O ASN A 97 6.349 18.517 -3.208 1.00 2.66 O ATOM 1470 CB ASN A 97 8.896 16.367 -4.041 1.00 2.43 C ATOM 1471 CG ASN A 97 9.448 14.963 -4.193 1.00 3.41 C ATOM 1472 OD1 ASN A 97 10.051 14.418 -3.269 1.00 4.01 O ATOM 1473 ND2 ASN A 97 9.252 14.373 -5.366 1.00 4.00 N ATOM 0 H ASN A 97 6.032 16.956 -4.803 1.00 1.55 H new ATOM 0 HA ASN A 97 7.410 15.638 -2.647 1.00 1.99 H new ATOM 0 HB2 ASN A 97 8.866 16.847 -5.019 1.00 2.43 H new ATOM 0 HB3 ASN A 97 9.574 16.952 -3.420 1.00 2.43 H new ATOM 0 HD21 ASN A 97 9.607 13.431 -5.529 1.00 4.00 H new ATOM 0 HD22 ASN A 97 8.746 14.862 -6.105 1.00 4.00 H new ATOM 1480 N GLY A 98 8.077 18.123 -1.789 1.00 1.20 N ATOM 1481 CA GLY A 98 7.998 19.411 -1.125 1.00 1.80 C ATOM 1482 C GLY A 98 7.454 19.315 0.279 1.00 1.46 C ATOM 1483 O GLY A 98 8.181 19.555 1.248 1.00 1.68 O ATOM 0 H GLY A 98 8.807 17.510 -1.426 1.00 1.20 H new ATOM 0 HA2 GLY A 98 8.991 19.860 -1.095 1.00 1.80 H new ATOM 0 HA3 GLY A 98 7.364 20.078 -1.710 1.00 1.80 H new ATOM 1487 N TYR A 99 6.171 18.974 0.390 1.00 1.07 N ATOM 1488 CA TYR A 99 5.502 18.852 1.695 1.00 0.84 C ATOM 1489 C TYR A 99 4.204 18.040 1.604 1.00 0.81 C ATOM 1490 O TYR A 99 3.227 18.485 0.989 1.00 0.96 O ATOM 1491 CB TYR A 99 5.221 20.244 2.316 1.00 1.07 C ATOM 1492 CG TYR A 99 4.475 21.217 1.414 1.00 1.57 C ATOM 1493 CD1 TYR A 99 3.105 21.409 1.550 1.00 2.28 C ATOM 1494 CD2 TYR A 99 5.143 21.939 0.432 1.00 2.37 C ATOM 1495 CE1 TYR A 99 2.424 22.292 0.734 1.00 3.13 C ATOM 1496 CE2 TYR A 99 4.469 22.824 -0.387 1.00 3.24 C ATOM 1497 CZ TYR A 99 3.109 22.996 -0.232 1.00 3.46 C ATOM 1498 OH TYR A 99 2.434 23.877 -1.046 1.00 4.47 O ATOM 0 H TYR A 99 5.568 18.776 -0.408 1.00 1.07 H new ATOM 0 HA TYR A 99 6.188 18.312 2.348 1.00 0.84 H new ATOM 0 HB2 TYR A 99 4.644 20.106 3.231 1.00 1.07 H new ATOM 0 HB3 TYR A 99 6.171 20.695 2.603 1.00 1.07 H new ATOM 0 HD1 TYR A 99 2.564 20.859 2.306 1.00 2.28 H new ATOM 0 HD2 TYR A 99 6.207 21.806 0.307 1.00 2.37 H new ATOM 0 HE1 TYR A 99 1.359 22.430 0.853 1.00 3.13 H new ATOM 0 HE2 TYR A 99 5.004 23.378 -1.144 1.00 3.24 H new ATOM 0 HH TYR A 99 3.064 24.292 -1.672 1.00 4.47 H new ATOM 1508 N ILE A 100 4.209 16.845 2.199 1.00 1.17 N ATOM 1509 CA ILE A 100 3.018 15.990 2.222 1.00 1.39 C ATOM 1510 C ILE A 100 2.762 15.457 3.635 1.00 1.13 C ATOM 1511 O ILE A 100 3.482 14.593 4.133 1.00 1.43 O ATOM 1512 CB ILE A 100 3.052 14.846 1.164 1.00 2.12 C ATOM 1513 CG1 ILE A 100 4.369 14.053 1.168 1.00 2.36 C ATOM 1514 CG2 ILE A 100 2.808 15.436 -0.219 1.00 2.84 C ATOM 1515 CD1 ILE A 100 4.293 12.745 1.924 1.00 3.08 C ATOM 0 H ILE A 100 5.022 16.448 2.670 1.00 1.17 H new ATOM 0 HA ILE A 100 2.176 16.620 1.934 1.00 1.39 H new ATOM 0 HB ILE A 100 2.265 14.140 1.428 1.00 2.12 H new ATOM 0 HG12 ILE A 100 4.663 13.850 0.138 1.00 2.36 H new ATOM 0 HG13 ILE A 100 5.153 14.671 1.607 1.00 2.36 H new ATOM 0 HG21 ILE A 100 2.831 14.640 -0.963 1.00 2.84 H new ATOM 0 HG22 ILE A 100 1.834 15.924 -0.240 1.00 2.84 H new ATOM 0 HG23 ILE A 100 3.585 16.166 -0.445 1.00 2.84 H new ATOM 0 HD11 ILE A 100 5.260 12.244 1.882 1.00 3.08 H new ATOM 0 HD12 ILE A 100 4.031 12.940 2.964 1.00 3.08 H new ATOM 0 HD13 ILE A 100 3.533 12.107 1.472 1.00 3.08 H new ATOM 1527 N SER A 101 1.712 15.999 4.258 1.00 0.79 N ATOM 1528 CA SER A 101 1.311 15.680 5.628 1.00 0.64 C ATOM 1529 C SER A 101 0.719 14.305 5.802 1.00 0.64 C ATOM 1530 O SER A 101 0.118 13.731 4.891 1.00 0.70 O ATOM 1531 CB SER A 101 0.306 16.739 6.110 1.00 0.71 C ATOM 1532 OG SER A 101 -0.034 16.560 7.477 1.00 1.45 O ATOM 0 H SER A 101 1.105 16.687 3.813 1.00 0.79 H new ATOM 0 HA SER A 101 2.222 15.686 6.227 1.00 0.64 H new ATOM 0 HB2 SER A 101 0.730 17.733 5.968 1.00 0.71 H new ATOM 0 HB3 SER A 101 -0.597 16.687 5.501 1.00 0.71 H new ATOM 0 HG SER A 101 0.644 16.003 7.913 1.00 1.45 H new ATOM 1538 N ALA A 102 0.923 13.798 7.025 1.00 0.72 N ATOM 1539 CA ALA A 102 0.374 12.519 7.461 1.00 0.83 C ATOM 1540 C ALA A 102 -1.141 12.653 7.560 1.00 0.77 C ATOM 1541 O ALA A 102 -1.869 11.666 7.660 1.00 0.87 O ATOM 1542 CB ALA A 102 0.966 12.106 8.798 1.00 1.01 C ATOM 0 H ALA A 102 1.477 14.270 7.739 1.00 0.72 H new ATOM 0 HA ALA A 102 0.629 11.744 6.738 1.00 0.83 H new ATOM 0 HB1 ALA A 102 0.542 11.149 9.104 1.00 1.01 H new ATOM 0 HB2 ALA A 102 2.048 12.010 8.703 1.00 1.01 H new ATOM 0 HB3 ALA A 102 0.733 12.862 9.548 1.00 1.01 H new ATOM 1548 N ALA A 103 -1.588 13.925 7.529 1.00 0.68 N ATOM 1549 CA ALA A 103 -3.010 14.275 7.564 1.00 0.71 C ATOM 1550 C ALA A 103 -3.677 13.891 6.242 1.00 0.64 C ATOM 1551 O ALA A 103 -4.904 13.792 6.155 1.00 0.71 O ATOM 1552 CB ALA A 103 -3.184 15.762 7.837 1.00 0.84 C ATOM 0 H ALA A 103 -0.968 14.733 7.479 1.00 0.68 H new ATOM 0 HA ALA A 103 -3.489 13.720 8.371 1.00 0.71 H new ATOM 0 HB1 ALA A 103 -4.246 16.006 7.860 1.00 0.84 H new ATOM 0 HB2 ALA A 103 -2.734 16.011 8.798 1.00 0.84 H new ATOM 0 HB3 ALA A 103 -2.697 16.336 7.049 1.00 0.84 H new ATOM 1558 N GLU A 104 -2.831 13.676 5.215 1.00 0.59 N ATOM 1559 CA GLU A 104 -3.271 13.266 3.888 1.00 0.69 C ATOM 1560 C GLU A 104 -3.749 11.811 3.892 1.00 0.67 C ATOM 1561 O GLU A 104 -4.453 11.387 2.977 1.00 0.74 O ATOM 1562 CB GLU A 104 -2.170 13.469 2.868 1.00 0.85 C ATOM 1563 CG GLU A 104 -1.929 14.929 2.526 1.00 0.99 C ATOM 1564 CD GLU A 104 -0.991 15.111 1.351 1.00 1.24 C ATOM 1565 OE1 GLU A 104 -1.397 14.799 0.211 1.00 1.81 O ATOM 1566 OE2 GLU A 104 0.147 15.572 1.568 1.00 1.65 O ATOM 0 H GLU A 104 -1.820 13.785 5.294 1.00 0.59 H new ATOM 0 HA GLU A 104 -4.115 13.895 3.606 1.00 0.69 H new ATOM 0 HB2 GLU A 104 -1.246 13.035 3.250 1.00 0.85 H new ATOM 0 HB3 GLU A 104 -2.424 12.927 1.957 1.00 0.85 H new ATOM 0 HG2 GLU A 104 -2.883 15.407 2.301 1.00 0.99 H new ATOM 0 HG3 GLU A 104 -1.516 15.438 3.397 1.00 0.99 H new ATOM 1573 N LEU A 105 -3.336 11.047 4.936 1.00 0.68 N ATOM 1574 CA LEU A 105 -3.746 9.650 5.138 1.00 0.80 C ATOM 1575 C LEU A 105 -5.253 9.469 5.091 1.00 0.68 C ATOM 1576 O LEU A 105 -5.767 8.395 4.767 1.00 0.69 O ATOM 1577 CB LEU A 105 -3.234 9.175 6.491 1.00 1.07 C ATOM 1578 CG LEU A 105 -2.028 8.254 6.443 1.00 1.38 C ATOM 1579 CD1 LEU A 105 -0.831 8.892 7.133 1.00 1.58 C ATOM 1580 CD2 LEU A 105 -2.379 6.925 7.084 1.00 1.81 C ATOM 0 H LEU A 105 -2.706 11.393 5.660 1.00 0.68 H new ATOM 0 HA LEU A 105 -3.320 9.063 4.324 1.00 0.80 H new ATOM 0 HB2 LEU A 105 -2.979 10.048 7.091 1.00 1.07 H new ATOM 0 HB3 LEU A 105 -4.044 8.659 7.006 1.00 1.07 H new ATOM 0 HG LEU A 105 -1.754 8.082 5.402 1.00 1.38 H new ATOM 0 HD11 LEU A 105 0.021 8.213 7.086 1.00 1.58 H new ATOM 0 HD12 LEU A 105 -0.578 9.827 6.633 1.00 1.58 H new ATOM 0 HD13 LEU A 105 -1.077 9.093 8.176 1.00 1.58 H new ATOM 0 HD21 LEU A 105 -1.513 6.264 7.049 1.00 1.81 H new ATOM 0 HD22 LEU A 105 -2.670 7.087 8.122 1.00 1.81 H new ATOM 0 HD23 LEU A 105 -3.207 6.467 6.542 1.00 1.81 H new ATOM 1592 N ARG A 106 -5.922 10.548 5.421 1.00 0.65 N ATOM 1593 CA ARG A 106 -7.361 10.637 5.441 1.00 0.68 C ATOM 1594 C ARG A 106 -7.902 10.878 4.022 1.00 0.66 C ATOM 1595 O ARG A 106 -8.999 10.419 3.690 1.00 0.74 O ATOM 1596 CB ARG A 106 -7.690 11.780 6.397 1.00 0.79 C ATOM 1597 CG ARG A 106 -9.065 12.429 6.239 1.00 0.97 C ATOM 1598 CD ARG A 106 -9.293 13.510 7.283 1.00 1.46 C ATOM 1599 NE ARG A 106 -10.617 14.130 7.154 1.00 1.70 N ATOM 1600 CZ ARG A 106 -11.156 14.973 8.047 1.00 2.20 C ATOM 1601 NH1 ARG A 106 -10.500 15.317 9.154 1.00 2.54 N ATOM 1602 NH2 ARG A 106 -12.364 15.474 7.828 1.00 2.39 N ATOM 0 H ARG A 106 -5.463 11.417 5.692 1.00 0.65 H new ATOM 0 HA ARG A 106 -7.832 9.714 5.780 1.00 0.68 H new ATOM 0 HB2 ARG A 106 -7.605 11.406 7.417 1.00 0.79 H new ATOM 0 HB3 ARG A 106 -6.932 12.554 6.277 1.00 0.79 H new ATOM 0 HG2 ARG A 106 -9.153 12.860 5.242 1.00 0.97 H new ATOM 0 HG3 ARG A 106 -9.840 11.668 6.326 1.00 0.97 H new ATOM 0 HD2 ARG A 106 -9.190 13.079 8.279 1.00 1.46 H new ATOM 0 HD3 ARG A 106 -8.523 14.276 7.186 1.00 1.46 H new ATOM 0 HE ARG A 106 -11.167 13.903 6.325 1.00 1.70 H new ATOM 0 HH11 ARG A 106 -9.571 14.938 9.335 1.00 2.54 H new ATOM 0 HH12 ARG A 106 -10.927 15.960 9.821 1.00 2.54 H new ATOM 0 HH21 ARG A 106 -12.877 15.218 6.985 1.00 2.39 H new ATOM 0 HH22 ARG A 106 -12.780 16.116 8.503 1.00 2.39 H new ATOM 1616 N HIS A 107 -7.122 11.601 3.196 1.00 0.67 N ATOM 1617 CA HIS A 107 -7.531 11.896 1.823 1.00 0.82 C ATOM 1618 C HIS A 107 -7.124 10.804 0.835 1.00 0.87 C ATOM 1619 O HIS A 107 -7.932 10.433 -0.017 1.00 1.00 O ATOM 1620 CB HIS A 107 -6.977 13.253 1.380 1.00 0.94 C ATOM 1621 CG HIS A 107 -7.682 14.421 2.000 1.00 1.07 C ATOM 1622 ND1 HIS A 107 -7.174 15.124 3.073 1.00 1.56 N ATOM 1623 CD2 HIS A 107 -8.861 15.011 1.690 1.00 1.61 C ATOM 1624 CE1 HIS A 107 -8.010 16.095 3.397 1.00 1.49 C ATOM 1625 NE2 HIS A 107 -9.040 16.048 2.573 1.00 1.46 N ATOM 0 H HIS A 107 -6.214 11.985 3.459 1.00 0.67 H new ATOM 0 HA HIS A 107 -8.620 11.932 1.820 1.00 0.82 H new ATOM 0 HB2 HIS A 107 -5.918 13.303 1.632 1.00 0.94 H new ATOM 0 HB3 HIS A 107 -7.050 13.329 0.295 1.00 0.94 H new ATOM 0 HD2 HIS A 107 -9.534 14.721 0.897 1.00 1.61 H new ATOM 0 HE1 HIS A 107 -7.874 16.805 4.199 1.00 1.49 H new ATOM 0 HE2 HIS A 107 -9.840 16.680 2.589 1.00 1.46 H new ATOM 1634 N VAL A 108 -5.886 10.287 0.937 1.00 0.90 N ATOM 1635 CA VAL A 108 -5.426 9.226 0.028 1.00 1.11 C ATOM 1636 C VAL A 108 -6.190 7.920 0.242 1.00 0.96 C ATOM 1637 O VAL A 108 -6.437 7.183 -0.718 1.00 0.99 O ATOM 1638 CB VAL A 108 -3.897 8.950 0.080 1.00 1.41 C ATOM 1639 CG1 VAL A 108 -3.164 9.933 -0.811 1.00 2.42 C ATOM 1640 CG2 VAL A 108 -3.320 8.986 1.490 1.00 0.86 C ATOM 0 H VAL A 108 -5.197 10.582 1.629 1.00 0.90 H new ATOM 0 HA VAL A 108 -5.641 9.617 -0.967 1.00 1.11 H new ATOM 0 HB VAL A 108 -3.752 7.933 -0.284 1.00 1.41 H new ATOM 0 HG11 VAL A 108 -2.093 9.733 -0.769 1.00 2.42 H new ATOM 0 HG12 VAL A 108 -3.514 9.824 -1.838 1.00 2.42 H new ATOM 0 HG13 VAL A 108 -3.357 10.949 -0.468 1.00 2.42 H new ATOM 0 HG21 VAL A 108 -2.249 8.785 1.450 1.00 0.86 H new ATOM 0 HG22 VAL A 108 -3.489 9.970 1.927 1.00 0.86 H new ATOM 0 HG23 VAL A 108 -3.809 8.228 2.103 1.00 0.86 H new ATOM 1650 N MET A 109 -6.562 7.636 1.503 1.00 0.88 N ATOM 1651 CA MET A 109 -7.322 6.434 1.824 1.00 0.80 C ATOM 1652 C MET A 109 -8.753 6.503 1.339 1.00 0.72 C ATOM 1653 O MET A 109 -9.261 5.516 0.820 1.00 0.73 O ATOM 1654 CB MET A 109 -7.252 6.120 3.321 1.00 0.80 C ATOM 1655 CG MET A 109 -6.015 5.348 3.711 1.00 1.72 C ATOM 1656 SD MET A 109 -5.514 4.108 2.489 1.00 2.24 S ATOM 1657 CE MET A 109 -4.267 5.005 1.565 1.00 3.24 C ATOM 0 H MET A 109 -6.346 8.225 2.307 1.00 0.88 H new ATOM 0 HA MET A 109 -6.853 5.612 1.284 1.00 0.80 H new ATOM 0 HB2 MET A 109 -7.282 7.054 3.883 1.00 0.80 H new ATOM 0 HB3 MET A 109 -8.134 5.548 3.607 1.00 0.80 H new ATOM 0 HG2 MET A 109 -5.193 6.048 3.863 1.00 1.72 H new ATOM 0 HG3 MET A 109 -6.192 4.853 4.666 1.00 1.72 H new ATOM 0 HE1 MET A 109 -3.555 4.300 1.135 1.00 3.24 H new ATOM 0 HE2 MET A 109 -4.744 5.572 0.766 1.00 3.24 H new ATOM 0 HE3 MET A 109 -3.742 5.689 2.232 1.00 3.24 H new ATOM 1667 N THR A 110 -9.379 7.669 1.454 1.00 0.72 N ATOM 1668 CA THR A 110 -10.758 7.829 0.987 1.00 0.77 C ATOM 1669 C THR A 110 -10.743 8.089 -0.523 1.00 0.89 C ATOM 1670 O THR A 110 -11.765 7.926 -1.196 1.00 0.97 O ATOM 1671 CB THR A 110 -11.498 8.961 1.740 1.00 0.83 C ATOM 1672 OG1 THR A 110 -11.174 8.912 3.136 1.00 0.78 O ATOM 1673 CG2 THR A 110 -13.013 8.855 1.579 1.00 0.97 C ATOM 0 H THR A 110 -8.964 8.508 1.860 1.00 0.72 H new ATOM 0 HA THR A 110 -11.307 6.911 1.196 1.00 0.77 H new ATOM 0 HB THR A 110 -11.172 9.907 1.308 1.00 0.83 H new ATOM 0 HG1 THR A 110 -10.454 9.549 3.327 1.00 0.78 H new ATOM 0 HG21 THR A 110 -13.494 9.668 2.123 1.00 0.97 H new ATOM 0 HG22 THR A 110 -13.272 8.922 0.522 1.00 0.97 H new ATOM 0 HG23 THR A 110 -13.355 7.900 1.977 1.00 0.97 H new ATOM 1681 N ASN A 111 -9.565 8.499 -1.044 1.00 0.96 N ATOM 1682 CA ASN A 111 -9.370 8.681 -2.488 1.00 1.14 C ATOM 1683 C ASN A 111 -9.529 7.300 -3.128 1.00 1.13 C ATOM 1684 O ASN A 111 -9.966 7.163 -4.273 1.00 1.24 O ATOM 1685 CB ASN A 111 -7.983 9.262 -2.788 1.00 1.26 C ATOM 1686 CG ASN A 111 -7.931 9.997 -4.115 1.00 1.50 C ATOM 1687 OD1 ASN A 111 -7.643 9.405 -5.154 1.00 2.08 O ATOM 1688 ND2 ASN A 111 -8.211 11.295 -4.084 1.00 1.85 N ATOM 0 H ASN A 111 -8.740 8.708 -0.482 1.00 0.96 H new ATOM 0 HA ASN A 111 -10.097 9.386 -2.890 1.00 1.14 H new ATOM 0 HB2 ASN A 111 -7.699 9.945 -1.988 1.00 1.26 H new ATOM 0 HB3 ASN A 111 -7.249 8.456 -2.795 1.00 1.26 H new ATOM 0 HD21 ASN A 111 -8.192 11.841 -4.945 1.00 1.85 H new ATOM 0 HD22 ASN A 111 -8.445 11.745 -3.199 1.00 1.85 H new ATOM 1695 N LEU A 112 -9.149 6.286 -2.328 1.00 1.02 N ATOM 1696 CA LEU A 112 -9.306 4.882 -2.679 1.00 1.04 C ATOM 1697 C LEU A 112 -10.638 4.402 -2.080 1.00 0.95 C ATOM 1698 O LEU A 112 -11.199 3.385 -2.499 1.00 1.02 O ATOM 1699 CB LEU A 112 -8.138 4.050 -2.122 1.00 1.07 C ATOM 1700 CG LEU A 112 -6.736 4.446 -2.614 1.00 1.23 C ATOM 1701 CD1 LEU A 112 -5.699 4.172 -1.536 1.00 1.21 C ATOM 1702 CD2 LEU A 112 -6.380 3.690 -3.888 1.00 1.54 C ATOM 0 H LEU A 112 -8.721 6.431 -1.413 1.00 1.02 H new ATOM 0 HA LEU A 112 -9.307 4.760 -3.762 1.00 1.04 H new ATOM 0 HB2 LEU A 112 -8.153 4.120 -1.034 1.00 1.07 H new ATOM 0 HB3 LEU A 112 -8.309 3.004 -2.376 1.00 1.07 H new ATOM 0 HG LEU A 112 -6.740 5.514 -2.834 1.00 1.23 H new ATOM 0 HD11 LEU A 112 -4.712 4.458 -1.900 1.00 1.21 H new ATOM 0 HD12 LEU A 112 -5.939 4.752 -0.645 1.00 1.21 H new ATOM 0 HD13 LEU A 112 -5.702 3.110 -1.290 1.00 1.21 H new ATOM 0 HD21 LEU A 112 -5.384 3.985 -4.220 1.00 1.54 H new ATOM 0 HD22 LEU A 112 -6.395 2.618 -3.691 1.00 1.54 H new ATOM 0 HD23 LEU A 112 -7.106 3.926 -4.666 1.00 1.54 H new ATOM 1714 N GLY A 113 -11.119 5.179 -1.083 1.00 0.83 N ATOM 1715 CA GLY A 113 -12.383 4.914 -0.403 1.00 0.82 C ATOM 1716 C GLY A 113 -12.271 3.978 0.781 1.00 0.76 C ATOM 1717 O GLY A 113 -13.213 3.246 1.100 1.00 0.82 O ATOM 0 H GLY A 113 -10.632 6.005 -0.736 1.00 0.83 H new ATOM 0 HA2 GLY A 113 -12.805 5.860 -0.064 1.00 0.82 H new ATOM 0 HA3 GLY A 113 -13.086 4.490 -1.120 1.00 0.82 H new ATOM 1721 N GLU A 114 -11.112 4.014 1.421 1.00 0.70 N ATOM 1722 CA GLU A 114 -10.799 3.202 2.593 1.00 0.70 C ATOM 1723 C GLU A 114 -11.697 3.563 3.765 1.00 0.73 C ATOM 1724 O GLU A 114 -12.105 4.719 3.916 1.00 0.73 O ATOM 1725 CB GLU A 114 -9.343 3.414 2.975 1.00 0.70 C ATOM 1726 CG GLU A 114 -8.389 2.416 2.332 1.00 0.79 C ATOM 1727 CD GLU A 114 -8.289 1.112 3.105 1.00 1.18 C ATOM 1728 OE1 GLU A 114 -7.414 1.013 3.991 1.00 1.44 O ATOM 1729 OE2 GLU A 114 -9.086 0.193 2.824 1.00 2.12 O ATOM 0 H GLU A 114 -10.344 4.621 1.136 1.00 0.70 H new ATOM 0 HA GLU A 114 -10.970 2.154 2.347 1.00 0.70 H new ATOM 0 HB2 GLU A 114 -9.045 4.423 2.690 1.00 0.70 H new ATOM 0 HB3 GLU A 114 -9.248 3.348 4.059 1.00 0.70 H new ATOM 0 HG2 GLU A 114 -8.722 2.206 1.316 1.00 0.79 H new ATOM 0 HG3 GLU A 114 -7.398 2.865 2.256 1.00 0.79 H new ATOM 1736 N LYS A 115 -11.992 2.565 4.583 1.00 0.82 N ATOM 1737 CA LYS A 115 -12.858 2.723 5.705 1.00 0.92 C ATOM 1738 C LYS A 115 -12.119 2.613 7.024 1.00 1.06 C ATOM 1739 O LYS A 115 -11.607 1.552 7.399 1.00 1.21 O ATOM 1740 CB LYS A 115 -13.962 1.702 5.624 1.00 1.04 C ATOM 1741 CG LYS A 115 -14.808 1.822 4.357 1.00 1.05 C ATOM 1742 CD LYS A 115 -15.400 0.481 3.931 1.00 1.31 C ATOM 1743 CE LYS A 115 -14.510 -0.235 2.921 1.00 1.23 C ATOM 1744 NZ LYS A 115 -15.080 -1.547 2.509 1.00 1.56 N ATOM 0 H LYS A 115 -11.626 1.620 4.472 1.00 0.82 H new ATOM 0 HA LYS A 115 -13.280 3.728 5.671 1.00 0.92 H new ATOM 0 HB2 LYS A 115 -13.527 0.703 5.668 1.00 1.04 H new ATOM 0 HB3 LYS A 115 -14.609 1.807 6.495 1.00 1.04 H new ATOM 0 HG2 LYS A 115 -15.614 2.536 4.526 1.00 1.05 H new ATOM 0 HG3 LYS A 115 -14.195 2.220 3.549 1.00 1.05 H new ATOM 0 HD2 LYS A 115 -15.536 -0.151 4.808 1.00 1.31 H new ATOM 0 HD3 LYS A 115 -16.387 0.641 3.497 1.00 1.31 H new ATOM 0 HE2 LYS A 115 -14.379 0.396 2.042 1.00 1.23 H new ATOM 0 HE3 LYS A 115 -13.521 -0.389 3.353 1.00 1.23 H new ATOM 0 HZ1 LYS A 115 -14.445 -2.001 1.822 1.00 1.56 H new ATOM 0 HZ2 LYS A 115 -15.182 -2.159 3.344 1.00 1.56 H new ATOM 0 HZ3 LYS A 115 -16.012 -1.399 2.073 1.00 1.56 H new ATOM 1758 N LEU A 116 -12.068 3.744 7.700 1.00 1.10 N ATOM 1759 CA LEU A 116 -11.409 3.875 8.994 1.00 1.28 C ATOM 1760 C LEU A 116 -12.300 4.645 9.969 1.00 1.19 C ATOM 1761 O LEU A 116 -13.258 5.302 9.548 1.00 1.19 O ATOM 1762 CB LEU A 116 -10.056 4.575 8.817 1.00 1.54 C ATOM 1763 CG LEU A 116 -8.882 3.645 8.498 1.00 2.66 C ATOM 1764 CD1 LEU A 116 -7.935 4.302 7.506 1.00 3.26 C ATOM 1765 CD2 LEU A 116 -8.139 3.265 9.771 1.00 3.12 C ATOM 0 H LEU A 116 -12.487 4.612 7.366 1.00 1.10 H new ATOM 0 HA LEU A 116 -11.235 2.883 9.410 1.00 1.28 H new ATOM 0 HB2 LEU A 116 -10.146 5.309 8.016 1.00 1.54 H new ATOM 0 HB3 LEU A 116 -9.826 5.125 9.730 1.00 1.54 H new ATOM 0 HG LEU A 116 -9.278 2.736 8.046 1.00 2.66 H new ATOM 0 HD11 LEU A 116 -7.107 3.626 7.291 1.00 3.26 H new ATOM 0 HD12 LEU A 116 -8.471 4.524 6.583 1.00 3.26 H new ATOM 0 HD13 LEU A 116 -7.547 5.228 7.931 1.00 3.26 H new ATOM 0 HD21 LEU A 116 -7.308 2.604 9.524 1.00 3.12 H new ATOM 0 HD22 LEU A 116 -7.756 4.165 10.251 1.00 3.12 H new ATOM 0 HD23 LEU A 116 -8.820 2.753 10.451 1.00 3.12 H new ATOM 1777 N THR A 117 -11.984 4.568 11.270 1.00 1.15 N ATOM 1778 CA THR A 117 -12.750 5.288 12.291 1.00 1.08 C ATOM 1779 C THR A 117 -12.178 6.700 12.468 1.00 0.99 C ATOM 1780 O THR A 117 -11.042 6.968 12.063 1.00 0.98 O ATOM 1781 CB THR A 117 -12.762 4.550 13.655 1.00 1.04 C ATOM 1782 OG1 THR A 117 -12.504 3.151 13.470 1.00 1.34 O ATOM 1783 CG2 THR A 117 -14.107 4.719 14.351 1.00 1.40 C ATOM 0 H THR A 117 -11.207 4.017 11.636 1.00 1.15 H new ATOM 0 HA THR A 117 -13.782 5.342 11.944 1.00 1.08 H new ATOM 0 HB THR A 117 -11.980 4.987 14.276 1.00 1.04 H new ATOM 0 HG1 THR A 117 -12.819 2.654 14.254 1.00 1.34 H new ATOM 0 HG21 THR A 117 -14.091 4.193 15.305 1.00 1.40 H new ATOM 0 HG22 THR A 117 -14.297 5.778 14.524 1.00 1.40 H new ATOM 0 HG23 THR A 117 -14.896 4.307 13.722 1.00 1.40 H new ATOM 1791 N ASP A 118 -12.967 7.596 13.076 1.00 1.00 N ATOM 1792 CA ASP A 118 -12.556 8.994 13.287 1.00 1.00 C ATOM 1793 C ASP A 118 -11.310 9.117 14.175 1.00 0.90 C ATOM 1794 O ASP A 118 -10.390 9.873 13.849 1.00 0.96 O ATOM 1795 CB ASP A 118 -13.710 9.804 13.890 1.00 1.07 C ATOM 1796 CG ASP A 118 -14.844 10.027 12.907 1.00 1.51 C ATOM 1797 OD1 ASP A 118 -15.764 9.183 12.861 1.00 2.18 O ATOM 1798 OD2 ASP A 118 -14.812 11.045 12.183 1.00 2.05 O ATOM 0 H ASP A 118 -13.898 7.378 13.432 1.00 1.00 H new ATOM 0 HA ASP A 118 -12.296 9.397 12.308 1.00 1.00 H new ATOM 0 HB2 ASP A 118 -14.093 9.285 14.769 1.00 1.07 H new ATOM 0 HB3 ASP A 118 -13.333 10.769 14.229 1.00 1.07 H new ATOM 1803 N GLU A 119 -11.290 8.375 15.290 1.00 0.82 N ATOM 1804 CA GLU A 119 -10.167 8.407 16.221 1.00 0.81 C ATOM 1805 C GLU A 119 -9.089 7.381 15.890 1.00 0.77 C ATOM 1806 O GLU A 119 -7.932 7.562 16.284 1.00 0.78 O ATOM 1807 CB GLU A 119 -10.647 8.224 17.665 1.00 0.89 C ATOM 1808 CG GLU A 119 -11.363 9.440 18.235 1.00 1.11 C ATOM 1809 CD GLU A 119 -11.821 9.230 19.665 1.00 1.49 C ATOM 1810 OE1 GLU A 119 -12.959 8.755 19.861 1.00 2.02 O ATOM 1811 OE2 GLU A 119 -11.040 9.539 20.590 1.00 2.07 O ATOM 0 H GLU A 119 -12.044 7.745 15.565 1.00 0.82 H new ATOM 0 HA GLU A 119 -9.712 9.392 16.116 1.00 0.81 H new ATOM 0 HB2 GLU A 119 -11.318 7.366 17.709 1.00 0.89 H new ATOM 0 HB3 GLU A 119 -9.789 7.991 18.296 1.00 0.89 H new ATOM 0 HG2 GLU A 119 -10.697 10.302 18.194 1.00 1.11 H new ATOM 0 HG3 GLU A 119 -12.226 9.674 17.612 1.00 1.11 H new ATOM 1818 N GLU A 120 -9.455 6.305 15.174 1.00 0.77 N ATOM 1819 CA GLU A 120 -8.504 5.281 14.782 1.00 0.80 C ATOM 1820 C GLU A 120 -7.441 5.877 13.865 1.00 0.80 C ATOM 1821 O GLU A 120 -6.248 5.637 14.060 1.00 0.81 O ATOM 1822 CB GLU A 120 -9.235 4.128 14.095 1.00 0.97 C ATOM 1823 CG GLU A 120 -9.848 3.119 15.060 1.00 1.21 C ATOM 1824 CD GLU A 120 -8.835 2.125 15.604 1.00 1.52 C ATOM 1825 OE1 GLU A 120 -8.228 2.413 16.657 1.00 2.13 O ATOM 1826 OE2 GLU A 120 -8.650 1.062 14.975 1.00 1.93 O ATOM 0 H GLU A 120 -10.410 6.132 14.859 1.00 0.77 H new ATOM 0 HA GLU A 120 -8.007 4.892 15.671 1.00 0.80 H new ATOM 0 HB2 GLU A 120 -10.024 4.537 13.463 1.00 0.97 H new ATOM 0 HB3 GLU A 120 -8.537 3.609 13.438 1.00 0.97 H new ATOM 0 HG2 GLU A 120 -10.307 3.653 15.892 1.00 1.21 H new ATOM 0 HG3 GLU A 120 -10.644 2.576 14.551 1.00 1.21 H new ATOM 1833 N VAL A 121 -7.886 6.663 12.868 1.00 0.84 N ATOM 1834 CA VAL A 121 -6.993 7.329 11.969 1.00 0.92 C ATOM 1835 C VAL A 121 -6.470 8.643 12.552 1.00 0.88 C ATOM 1836 O VAL A 121 -5.462 9.152 12.077 1.00 0.93 O ATOM 1837 CB VAL A 121 -7.612 7.517 10.570 1.00 1.19 C ATOM 1838 CG1 VAL A 121 -8.137 8.911 10.360 1.00 0.82 C ATOM 1839 CG2 VAL A 121 -6.571 7.193 9.536 1.00 2.24 C ATOM 0 H VAL A 121 -8.874 6.839 12.683 1.00 0.84 H new ATOM 0 HA VAL A 121 -6.129 6.677 11.841 1.00 0.92 H new ATOM 0 HB VAL A 121 -8.464 6.844 10.479 1.00 1.19 H new ATOM 0 HG11 VAL A 121 -8.563 8.993 9.360 1.00 0.82 H new ATOM 0 HG12 VAL A 121 -8.907 9.125 11.101 1.00 0.82 H new ATOM 0 HG13 VAL A 121 -7.322 9.627 10.467 1.00 0.82 H new ATOM 0 HG21 VAL A 121 -6.995 7.322 8.540 1.00 2.24 H new ATOM 0 HG22 VAL A 121 -5.718 7.861 9.656 1.00 2.24 H new ATOM 0 HG23 VAL A 121 -6.244 6.161 9.660 1.00 2.24 H new ATOM 1849 N ASP A 122 -7.158 9.190 13.573 1.00 0.86 N ATOM 1850 CA ASP A 122 -6.710 10.435 14.205 1.00 0.95 C ATOM 1851 C ASP A 122 -5.457 10.175 15.037 1.00 0.84 C ATOM 1852 O ASP A 122 -4.668 11.085 15.302 1.00 0.89 O ATOM 1853 CB ASP A 122 -7.821 11.050 15.064 1.00 1.08 C ATOM 1854 CG ASP A 122 -7.685 12.556 15.211 1.00 1.26 C ATOM 1855 OD1 ASP A 122 -7.019 13.001 16.170 1.00 1.76 O ATOM 1856 OD2 ASP A 122 -8.244 13.288 14.368 1.00 1.76 O ATOM 0 H ASP A 122 -8.011 8.794 13.969 1.00 0.86 H new ATOM 0 HA ASP A 122 -6.467 11.153 13.422 1.00 0.95 H new ATOM 0 HB2 ASP A 122 -8.789 10.819 14.619 1.00 1.08 H new ATOM 0 HB3 ASP A 122 -7.807 10.590 16.052 1.00 1.08 H new ATOM 1861 N GLU A 123 -5.312 8.919 15.451 1.00 0.75 N ATOM 1862 CA GLU A 123 -4.155 8.466 16.195 1.00 0.73 C ATOM 1863 C GLU A 123 -3.063 8.037 15.234 1.00 0.65 C ATOM 1864 O GLU A 123 -1.890 8.336 15.456 1.00 0.65 O ATOM 1865 CB GLU A 123 -4.520 7.322 17.151 1.00 0.78 C ATOM 1866 CG GLU A 123 -5.191 7.782 18.441 1.00 0.92 C ATOM 1867 CD GLU A 123 -4.204 8.300 19.473 1.00 1.13 C ATOM 1868 OE1 GLU A 123 -3.922 9.517 19.466 1.00 1.43 O ATOM 1869 OE2 GLU A 123 -3.714 7.488 20.286 1.00 1.87 O ATOM 0 H GLU A 123 -6.001 8.188 15.275 1.00 0.75 H new ATOM 0 HA GLU A 123 -3.789 9.294 16.802 1.00 0.73 H new ATOM 0 HB2 GLU A 123 -5.185 6.629 16.635 1.00 0.78 H new ATOM 0 HB3 GLU A 123 -3.615 6.769 17.402 1.00 0.78 H new ATOM 0 HG2 GLU A 123 -5.911 8.567 18.209 1.00 0.92 H new ATOM 0 HG3 GLU A 123 -5.752 6.951 18.868 1.00 0.92 H new ATOM 1876 N MET A 124 -3.465 7.345 14.151 1.00 0.63 N ATOM 1877 CA MET A 124 -2.523 6.916 13.110 1.00 0.64 C ATOM 1878 C MET A 124 -2.015 8.139 12.366 1.00 0.64 C ATOM 1879 O MET A 124 -0.942 8.117 11.763 1.00 0.67 O ATOM 1880 CB MET A 124 -3.165 5.934 12.117 1.00 0.70 C ATOM 1881 CG MET A 124 -3.713 4.660 12.748 1.00 1.18 C ATOM 1882 SD MET A 124 -2.445 3.687 13.584 1.00 2.12 S ATOM 1883 CE MET A 124 -3.417 2.309 14.187 1.00 2.40 C ATOM 0 H MET A 124 -4.433 7.074 13.978 1.00 0.63 H new ATOM 0 HA MET A 124 -1.698 6.394 13.596 1.00 0.64 H new ATOM 0 HB2 MET A 124 -3.976 6.443 11.596 1.00 0.70 H new ATOM 0 HB3 MET A 124 -2.424 5.662 11.365 1.00 0.70 H new ATOM 0 HG2 MET A 124 -4.493 4.922 13.463 1.00 1.18 H new ATOM 0 HG3 MET A 124 -4.181 4.050 11.975 1.00 1.18 H new ATOM 0 HE1 MET A 124 -2.771 1.617 14.728 1.00 2.40 H new ATOM 0 HE2 MET A 124 -4.195 2.677 14.856 1.00 2.40 H new ATOM 0 HE3 MET A 124 -3.878 1.792 13.345 1.00 2.40 H new ATOM 1893 N ILE A 125 -2.812 9.213 12.439 1.00 0.65 N ATOM 1894 CA ILE A 125 -2.477 10.484 11.832 1.00 0.70 C ATOM 1895 C ILE A 125 -1.505 11.229 12.750 1.00 0.66 C ATOM 1896 O ILE A 125 -0.594 11.918 12.282 1.00 0.68 O ATOM 1897 CB ILE A 125 -3.766 11.320 11.597 1.00 0.82 C ATOM 1898 CG1 ILE A 125 -3.772 11.962 10.208 1.00 0.94 C ATOM 1899 CG2 ILE A 125 -3.960 12.386 12.674 1.00 0.84 C ATOM 1900 CD1 ILE A 125 -4.457 11.115 9.154 1.00 0.70 C ATOM 0 H ILE A 125 -3.709 9.213 12.925 1.00 0.65 H new ATOM 0 HA ILE A 125 -2.002 10.320 10.864 1.00 0.70 H new ATOM 0 HB ILE A 125 -4.604 10.625 11.659 1.00 0.82 H new ATOM 0 HG12 ILE A 125 -4.271 12.930 10.266 1.00 0.94 H new ATOM 0 HG13 ILE A 125 -2.744 12.151 9.899 1.00 0.94 H new ATOM 0 HG21 ILE A 125 -4.872 12.947 12.471 1.00 0.84 H new ATOM 0 HG22 ILE A 125 -4.038 11.907 13.650 1.00 0.84 H new ATOM 0 HG23 ILE A 125 -3.108 13.066 12.671 1.00 0.84 H new ATOM 0 HD11 ILE A 125 -4.424 11.631 8.195 1.00 0.70 H new ATOM 0 HD12 ILE A 125 -3.945 10.157 9.068 1.00 0.70 H new ATOM 0 HD13 ILE A 125 -5.495 10.947 9.440 1.00 0.70 H new ATOM 1912 N ARG A 126 -1.727 11.072 14.076 1.00 0.65 N ATOM 1913 CA ARG A 126 -0.889 11.715 15.076 1.00 0.68 C ATOM 1914 C ARG A 126 0.370 10.935 15.351 1.00 0.64 C ATOM 1915 O ARG A 126 1.300 11.413 16.010 1.00 0.69 O ATOM 1916 CB ARG A 126 -1.658 12.027 16.365 1.00 0.76 C ATOM 1917 CG ARG A 126 -2.633 13.190 16.233 1.00 1.02 C ATOM 1918 CD ARG A 126 -3.343 13.485 17.548 1.00 1.07 C ATOM 1919 NE ARG A 126 -2.462 14.146 18.521 1.00 1.63 N ATOM 1920 CZ ARG A 126 -2.863 14.647 19.698 1.00 1.79 C ATOM 1921 NH1 ARG A 126 -4.138 14.577 20.080 1.00 1.36 N ATOM 1922 NH2 ARG A 126 -1.978 15.225 20.500 1.00 2.58 N ATOM 0 H ARG A 126 -2.481 10.504 14.462 1.00 0.65 H new ATOM 0 HA ARG A 126 -0.583 12.671 14.651 1.00 0.68 H new ATOM 0 HB2 ARG A 126 -2.207 11.138 16.674 1.00 0.76 H new ATOM 0 HB3 ARG A 126 -0.944 12.252 17.158 1.00 0.76 H new ATOM 0 HG2 ARG A 126 -2.096 14.079 15.903 1.00 1.02 H new ATOM 0 HG3 ARG A 126 -3.371 12.960 15.465 1.00 1.02 H new ATOM 0 HD2 ARG A 126 -4.209 14.118 17.357 1.00 1.07 H new ATOM 0 HD3 ARG A 126 -3.717 12.554 17.974 1.00 1.07 H new ATOM 0 HE ARG A 126 -1.474 14.230 18.284 1.00 1.63 H new ATOM 0 HH11 ARG A 126 -4.829 14.136 19.473 1.00 1.36 H new ATOM 0 HH12 ARG A 126 -4.423 14.964 20.980 1.00 1.36 H new ATOM 0 HH21 ARG A 126 -0.999 15.286 20.220 1.00 2.58 H new ATOM 0 HH22 ARG A 126 -2.276 15.608 21.397 1.00 2.58 H new ATOM 1936 N GLU A 127 0.370 9.735 14.826 1.00 0.59 N ATOM 1937 CA GLU A 127 1.503 8.815 14.920 1.00 0.59 C ATOM 1938 C GLU A 127 2.669 9.332 14.068 1.00 0.59 C ATOM 1939 O GLU A 127 3.756 8.743 14.053 1.00 0.63 O ATOM 1940 CB GLU A 127 1.094 7.412 14.456 1.00 0.61 C ATOM 1941 CG GLU A 127 0.456 6.548 15.543 1.00 0.66 C ATOM 1942 CD GLU A 127 1.463 6.015 16.548 1.00 1.28 C ATOM 1943 OE1 GLU A 127 1.447 6.479 17.708 1.00 1.91 O ATOM 1944 OE2 GLU A 127 2.268 5.137 16.173 1.00 2.06 O ATOM 0 H GLU A 127 -0.424 9.353 14.311 1.00 0.59 H new ATOM 0 HA GLU A 127 1.820 8.757 15.961 1.00 0.59 H new ATOM 0 HB2 GLU A 127 0.393 7.507 13.627 1.00 0.61 H new ATOM 0 HB3 GLU A 127 1.975 6.899 14.072 1.00 0.61 H new ATOM 0 HG2 GLU A 127 -0.298 7.134 16.069 1.00 0.66 H new ATOM 0 HG3 GLU A 127 -0.061 5.710 15.076 1.00 0.66 H new ATOM 1951 N ALA A 128 2.419 10.457 13.367 1.00 0.59 N ATOM 1952 CA ALA A 128 3.417 11.068 12.486 1.00 0.64 C ATOM 1953 C ALA A 128 3.449 12.601 12.595 1.00 0.63 C ATOM 1954 O ALA A 128 4.173 13.257 11.835 1.00 0.65 O ATOM 1955 CB ALA A 128 3.156 10.652 11.045 1.00 0.72 C ATOM 0 H ALA A 128 1.530 10.956 13.399 1.00 0.59 H new ATOM 0 HA ALA A 128 4.394 10.708 12.808 1.00 0.64 H new ATOM 0 HB1 ALA A 128 3.901 11.109 10.394 1.00 0.72 H new ATOM 0 HB2 ALA A 128 3.219 9.567 10.962 1.00 0.72 H new ATOM 0 HB3 ALA A 128 2.161 10.982 10.746 1.00 0.72 H new ATOM 1961 N ALA A 129 2.681 13.179 13.544 1.00 0.67 N ATOM 1962 CA ALA A 129 2.643 14.642 13.728 1.00 0.72 C ATOM 1963 C ALA A 129 4.027 15.209 14.064 1.00 0.77 C ATOM 1964 O ALA A 129 4.570 14.961 15.148 1.00 0.86 O ATOM 1965 CB ALA A 129 1.639 15.034 14.807 1.00 0.83 C ATOM 0 H ALA A 129 2.085 12.659 14.188 1.00 0.67 H new ATOM 0 HA ALA A 129 2.323 15.074 12.780 1.00 0.72 H new ATOM 0 HB1 ALA A 129 1.632 16.118 14.921 1.00 0.83 H new ATOM 0 HB2 ALA A 129 0.644 14.693 14.520 1.00 0.83 H new ATOM 0 HB3 ALA A 129 1.922 14.571 15.753 1.00 0.83 H new ATOM 1971 N ILE A 130 4.588 15.954 13.110 1.00 0.77 N ATOM 1972 CA ILE A 130 5.901 16.575 13.278 1.00 0.87 C ATOM 1973 C ILE A 130 5.753 18.070 13.464 1.00 1.01 C ATOM 1974 O ILE A 130 4.932 18.719 12.812 1.00 1.27 O ATOM 1975 CB ILE A 130 6.886 16.233 12.113 1.00 0.91 C ATOM 1976 CG1 ILE A 130 8.166 17.087 12.123 1.00 1.07 C ATOM 1977 CG2 ILE A 130 6.217 16.315 10.742 1.00 1.28 C ATOM 1978 CD1 ILE A 130 9.295 16.463 12.914 1.00 1.57 C ATOM 0 H ILE A 130 4.150 16.142 12.208 1.00 0.77 H new ATOM 0 HA ILE A 130 6.348 16.154 14.179 1.00 0.87 H new ATOM 0 HB ILE A 130 7.181 15.200 12.295 1.00 0.91 H new ATOM 0 HG12 ILE A 130 8.496 17.247 11.097 1.00 1.07 H new ATOM 0 HG13 ILE A 130 7.937 18.067 12.541 1.00 1.07 H new ATOM 0 HG21 ILE A 130 6.943 16.069 9.967 1.00 1.28 H new ATOM 0 HG22 ILE A 130 5.387 15.609 10.699 1.00 1.28 H new ATOM 0 HG23 ILE A 130 5.842 17.326 10.580 1.00 1.28 H new ATOM 0 HD11 ILE A 130 10.167 17.116 12.880 1.00 1.57 H new ATOM 0 HD12 ILE A 130 8.983 16.328 13.949 1.00 1.57 H new ATOM 0 HD13 ILE A 130 9.550 15.495 12.483 1.00 1.57 H new ATOM 1990 N ASP A 131 6.622 18.590 14.333 1.00 1.22 N ATOM 1991 CA ASP A 131 6.664 20.020 14.738 1.00 1.45 C ATOM 1992 C ASP A 131 5.335 20.515 15.347 1.00 1.44 C ATOM 1993 O ASP A 131 5.326 21.350 16.256 1.00 1.64 O ATOM 1994 CB ASP A 131 7.072 20.893 13.548 1.00 1.64 C ATOM 1995 CG ASP A 131 7.733 22.198 13.961 1.00 2.27 C ATOM 1996 OD1 ASP A 131 8.973 22.215 14.106 1.00 2.70 O ATOM 1997 OD2 ASP A 131 7.009 23.200 14.138 1.00 2.90 O ATOM 0 H ASP A 131 7.337 18.026 14.792 1.00 1.22 H new ATOM 0 HA ASP A 131 7.413 20.105 15.525 1.00 1.45 H new ATOM 0 HB2 ASP A 131 7.757 20.332 12.912 1.00 1.64 H new ATOM 0 HB3 ASP A 131 6.189 21.114 12.948 1.00 1.64 H new ATOM 2002 N GLY A 132 4.242 19.979 14.824 1.00 1.31 N ATOM 2003 CA GLY A 132 2.898 20.321 15.264 1.00 1.35 C ATOM 2004 C GLY A 132 1.946 20.541 14.096 1.00 1.46 C ATOM 2005 O GLY A 132 0.734 20.666 14.297 1.00 1.75 O ATOM 0 H GLY A 132 4.264 19.287 14.075 1.00 1.31 H new ATOM 0 HA2 GLY A 132 2.512 19.524 15.899 1.00 1.35 H new ATOM 0 HA3 GLY A 132 2.936 21.224 15.874 1.00 1.35 H new ATOM 2009 N ASP A 133 2.503 20.589 12.875 1.00 1.34 N ATOM 2010 CA ASP A 133 1.716 20.773 11.653 1.00 1.49 C ATOM 2011 C ASP A 133 1.337 19.407 11.064 1.00 1.37 C ATOM 2012 O ASP A 133 0.171 19.170 10.734 1.00 1.69 O ATOM 2013 CB ASP A 133 2.503 21.608 10.631 1.00 1.52 C ATOM 2014 CG ASP A 133 1.605 22.317 9.631 1.00 1.94 C ATOM 2015 OD1 ASP A 133 1.313 21.724 8.571 1.00 2.14 O ATOM 2016 OD2 ASP A 133 1.194 23.463 9.910 1.00 2.60 O ATOM 0 H ASP A 133 3.506 20.502 12.711 1.00 1.34 H new ATOM 0 HA ASP A 133 0.801 21.312 11.898 1.00 1.49 H new ATOM 0 HB2 ASP A 133 3.105 22.347 11.160 1.00 1.52 H new ATOM 0 HB3 ASP A 133 3.195 20.959 10.094 1.00 1.52 H new ATOM 2021 N GLY A 134 2.338 18.521 10.940 1.00 1.04 N ATOM 2022 CA GLY A 134 2.105 17.179 10.427 1.00 1.15 C ATOM 2023 C GLY A 134 2.538 16.963 8.985 1.00 1.03 C ATOM 2024 O GLY A 134 2.358 15.861 8.459 1.00 1.25 O ATOM 0 H GLY A 134 3.308 18.716 11.189 1.00 1.04 H new ATOM 0 HA2 GLY A 134 2.633 16.466 11.061 1.00 1.15 H new ATOM 0 HA3 GLY A 134 1.042 16.953 10.510 1.00 1.15 H new ATOM 2028 N GLN A 135 3.115 17.991 8.338 1.00 0.84 N ATOM 2029 CA GLN A 135 3.557 17.860 6.942 1.00 0.77 C ATOM 2030 C GLN A 135 4.955 17.247 6.846 1.00 0.74 C ATOM 2031 O GLN A 135 5.850 17.602 7.619 1.00 0.80 O ATOM 2032 CB GLN A 135 3.470 19.189 6.172 1.00 0.80 C ATOM 2033 CG GLN A 135 4.103 20.395 6.868 1.00 1.03 C ATOM 2034 CD GLN A 135 3.982 21.667 6.052 1.00 1.40 C ATOM 2035 OE1 GLN A 135 4.852 21.984 5.241 1.00 2.05 O ATOM 2036 NE2 GLN A 135 2.898 22.405 6.264 1.00 1.98 N ATOM 0 H GLN A 135 3.284 18.907 8.753 1.00 0.84 H new ATOM 0 HA GLN A 135 2.863 17.171 6.460 1.00 0.77 H new ATOM 0 HB2 GLN A 135 3.949 19.059 5.202 1.00 0.80 H new ATOM 0 HB3 GLN A 135 2.420 19.411 5.982 1.00 0.80 H new ATOM 0 HG2 GLN A 135 3.626 20.542 7.837 1.00 1.03 H new ATOM 0 HG3 GLN A 135 5.156 20.189 7.059 1.00 1.03 H new ATOM 0 HE21 GLN A 135 2.202 22.104 6.946 1.00 1.98 H new ATOM 0 HE22 GLN A 135 2.762 23.272 5.745 1.00 1.98 H new ATOM 2045 N VAL A 136 5.124 16.327 5.886 1.00 0.69 N ATOM 2046 CA VAL A 136 6.415 15.625 5.705 1.00 0.68 C ATOM 2047 C VAL A 136 6.780 15.433 4.229 1.00 0.64 C ATOM 2048 O VAL A 136 5.931 15.081 3.416 1.00 0.67 O ATOM 2049 CB VAL A 136 6.458 14.248 6.433 1.00 0.75 C ATOM 2050 CG1 VAL A 136 6.860 14.431 7.885 1.00 0.91 C ATOM 2051 CG2 VAL A 136 5.125 13.507 6.357 1.00 0.88 C ATOM 0 H VAL A 136 4.396 16.050 5.227 1.00 0.69 H new ATOM 0 HA VAL A 136 7.157 16.280 6.162 1.00 0.68 H new ATOM 0 HB VAL A 136 7.202 13.640 5.918 1.00 0.75 H new ATOM 0 HG11 VAL A 136 6.886 13.460 8.381 1.00 0.91 H new ATOM 0 HG12 VAL A 136 7.848 14.890 7.934 1.00 0.91 H new ATOM 0 HG13 VAL A 136 6.136 15.074 8.385 1.00 0.91 H new ATOM 0 HG21 VAL A 136 5.208 12.554 6.879 1.00 0.88 H new ATOM 0 HG22 VAL A 136 4.346 14.110 6.824 1.00 0.88 H new ATOM 0 HG23 VAL A 136 4.868 13.327 5.313 1.00 0.88 H new ATOM 2061 N ASN A 137 8.062 15.668 3.907 1.00 0.63 N ATOM 2062 CA ASN A 137 8.576 15.552 2.537 1.00 0.62 C ATOM 2063 C ASN A 137 9.124 14.133 2.235 1.00 0.59 C ATOM 2064 O ASN A 137 8.889 13.188 2.993 1.00 0.59 O ATOM 2065 CB ASN A 137 9.671 16.615 2.334 1.00 0.66 C ATOM 2066 CG ASN A 137 9.838 17.070 0.886 1.00 0.80 C ATOM 2067 OD1 ASN A 137 9.405 16.402 -0.056 1.00 1.18 O ATOM 2068 ND2 ASN A 137 10.487 18.214 0.703 1.00 1.45 N ATOM 0 H ASN A 137 8.769 15.943 4.589 1.00 0.63 H new ATOM 0 HA ASN A 137 7.755 15.719 1.840 1.00 0.62 H new ATOM 0 HB2 ASN A 137 9.439 17.483 2.952 1.00 0.66 H new ATOM 0 HB3 ASN A 137 10.621 16.215 2.690 1.00 0.66 H new ATOM 0 HD21 ASN A 137 10.642 18.567 -0.241 1.00 1.45 H new ATOM 0 HD22 ASN A 137 10.831 18.740 1.507 1.00 1.45 H new ATOM 2075 N TYR A 138 9.856 14.021 1.106 1.00 0.62 N ATOM 2076 CA TYR A 138 10.470 12.773 0.601 1.00 0.66 C ATOM 2077 C TYR A 138 11.416 12.090 1.611 1.00 0.61 C ATOM 2078 O TYR A 138 11.703 10.899 1.473 1.00 0.67 O ATOM 2079 CB TYR A 138 11.184 13.108 -0.733 1.00 0.75 C ATOM 2080 CG TYR A 138 12.075 12.030 -1.339 1.00 1.21 C ATOM 2081 CD1 TYR A 138 11.610 11.212 -2.360 1.00 1.93 C ATOM 2082 CD2 TYR A 138 13.387 11.854 -0.906 1.00 2.03 C ATOM 2083 CE1 TYR A 138 12.422 10.249 -2.930 1.00 2.59 C ATOM 2084 CE2 TYR A 138 14.202 10.891 -1.469 1.00 2.76 C ATOM 2085 CZ TYR A 138 13.715 10.092 -2.480 1.00 2.81 C ATOM 2086 OH TYR A 138 14.525 9.134 -3.045 1.00 3.66 O ATOM 0 H TYR A 138 10.042 14.821 0.502 1.00 0.62 H new ATOM 0 HA TYR A 138 9.683 12.036 0.440 1.00 0.66 H new ATOM 0 HB2 TYR A 138 10.422 13.368 -1.468 1.00 0.75 H new ATOM 0 HB3 TYR A 138 11.792 13.999 -0.576 1.00 0.75 H new ATOM 0 HD1 TYR A 138 10.597 11.330 -2.715 1.00 1.93 H new ATOM 0 HD2 TYR A 138 13.774 12.481 -0.116 1.00 2.03 H new ATOM 0 HE1 TYR A 138 12.045 9.622 -3.725 1.00 2.59 H new ATOM 0 HE2 TYR A 138 15.216 10.765 -1.118 1.00 2.76 H new ATOM 0 HH TYR A 138 15.405 9.155 -2.615 1.00 3.66 H new ATOM 2096 N GLU A 139 11.896 12.838 2.609 1.00 0.57 N ATOM 2097 CA GLU A 139 12.831 12.306 3.615 1.00 0.60 C ATOM 2098 C GLU A 139 12.228 11.195 4.499 1.00 0.54 C ATOM 2099 O GLU A 139 12.836 10.131 4.648 1.00 0.57 O ATOM 2100 CB GLU A 139 13.358 13.443 4.501 1.00 0.68 C ATOM 2101 CG GLU A 139 14.359 14.354 3.806 1.00 0.89 C ATOM 2102 CD GLU A 139 14.857 15.467 4.707 1.00 1.36 C ATOM 2103 OE1 GLU A 139 15.878 15.262 5.396 1.00 2.24 O ATOM 2104 OE2 GLU A 139 14.225 16.545 4.724 1.00 1.61 O ATOM 0 H GLU A 139 11.653 13.819 2.745 1.00 0.57 H new ATOM 0 HA GLU A 139 13.648 11.849 3.056 1.00 0.60 H new ATOM 0 HB2 GLU A 139 12.515 14.042 4.846 1.00 0.68 H new ATOM 0 HB3 GLU A 139 13.827 13.013 5.386 1.00 0.68 H new ATOM 0 HG2 GLU A 139 15.207 13.761 3.464 1.00 0.89 H new ATOM 0 HG3 GLU A 139 13.896 14.788 2.920 1.00 0.89 H new ATOM 2111 N GLU A 140 11.043 11.444 5.078 1.00 0.51 N ATOM 2112 CA GLU A 140 10.401 10.475 5.984 1.00 0.52 C ATOM 2113 C GLU A 140 9.464 9.477 5.294 1.00 0.47 C ATOM 2114 O GLU A 140 9.587 8.270 5.525 1.00 0.49 O ATOM 2115 CB GLU A 140 9.650 11.211 7.101 1.00 0.59 C ATOM 2116 CG GLU A 140 10.562 11.809 8.162 1.00 1.02 C ATOM 2117 CD GLU A 140 9.795 12.540 9.245 1.00 1.31 C ATOM 2118 OE1 GLU A 140 9.383 11.886 10.226 1.00 1.91 O ATOM 2119 OE2 GLU A 140 9.607 13.768 9.114 1.00 2.02 O ATOM 0 H GLU A 140 10.511 12.303 4.937 1.00 0.51 H new ATOM 0 HA GLU A 140 11.216 9.880 6.396 1.00 0.52 H new ATOM 0 HB2 GLU A 140 9.050 12.007 6.660 1.00 0.59 H new ATOM 0 HB3 GLU A 140 8.958 10.518 7.579 1.00 0.59 H new ATOM 0 HG2 GLU A 140 11.155 11.015 8.615 1.00 1.02 H new ATOM 0 HG3 GLU A 140 11.261 12.499 7.688 1.00 1.02 H new ATOM 2126 N PHE A 141 8.532 9.963 4.453 1.00 0.45 N ATOM 2127 CA PHE A 141 7.553 9.081 3.777 1.00 0.43 C ATOM 2128 C PHE A 141 8.200 8.036 2.857 1.00 0.41 C ATOM 2129 O PHE A 141 7.551 7.056 2.479 1.00 0.44 O ATOM 2130 CB PHE A 141 6.513 9.905 3.018 1.00 0.45 C ATOM 2131 CG PHE A 141 5.146 9.847 3.644 1.00 0.69 C ATOM 2132 CD1 PHE A 141 4.882 10.510 4.833 1.00 1.33 C ATOM 2133 CD2 PHE A 141 4.127 9.123 3.048 1.00 1.55 C ATOM 2134 CE1 PHE A 141 3.632 10.453 5.414 1.00 1.59 C ATOM 2135 CE2 PHE A 141 2.874 9.063 3.625 1.00 1.88 C ATOM 2136 CZ PHE A 141 2.626 9.728 4.810 1.00 1.54 C ATOM 0 H PHE A 141 8.434 10.952 4.225 1.00 0.45 H new ATOM 0 HA PHE A 141 7.056 8.519 4.568 1.00 0.43 H new ATOM 0 HB2 PHE A 141 6.842 10.943 2.973 1.00 0.45 H new ATOM 0 HB3 PHE A 141 6.452 9.545 1.991 1.00 0.45 H new ATOM 0 HD1 PHE A 141 5.666 11.079 5.311 1.00 1.33 H new ATOM 0 HD2 PHE A 141 4.314 8.600 2.122 1.00 1.55 H new ATOM 0 HE1 PHE A 141 3.442 10.975 6.340 1.00 1.59 H new ATOM 0 HE2 PHE A 141 2.087 8.496 3.150 1.00 1.88 H new ATOM 0 HZ PHE A 141 1.647 9.680 5.263 1.00 1.54 H new ATOM 2146 N VAL A 142 9.472 8.253 2.504 1.00 0.42 N ATOM 2147 CA VAL A 142 10.233 7.307 1.683 1.00 0.44 C ATOM 2148 C VAL A 142 10.790 6.213 2.568 1.00 0.46 C ATOM 2149 O VAL A 142 10.769 5.043 2.195 1.00 0.48 O ATOM 2150 CB VAL A 142 11.396 8.000 0.954 1.00 0.48 C ATOM 2151 CG1 VAL A 142 12.608 7.082 0.785 1.00 0.53 C ATOM 2152 CG2 VAL A 142 10.941 8.560 -0.389 1.00 0.50 C ATOM 0 H VAL A 142 9.999 9.083 2.777 1.00 0.42 H new ATOM 0 HA VAL A 142 9.558 6.891 0.935 1.00 0.44 H new ATOM 0 HB VAL A 142 11.715 8.831 1.583 1.00 0.48 H new ATOM 0 HG11 VAL A 142 13.401 7.619 0.265 1.00 0.53 H new ATOM 0 HG12 VAL A 142 12.965 6.767 1.765 1.00 0.53 H new ATOM 0 HG13 VAL A 142 12.322 6.205 0.204 1.00 0.53 H new ATOM 0 HG21 VAL A 142 11.782 9.045 -0.885 1.00 0.50 H new ATOM 0 HG22 VAL A 142 10.570 7.748 -1.015 1.00 0.50 H new ATOM 0 HG23 VAL A 142 10.145 9.288 -0.229 1.00 0.50 H new ATOM 2162 N GLN A 143 11.307 6.626 3.738 1.00 0.49 N ATOM 2163 CA GLN A 143 11.873 5.706 4.715 1.00 0.54 C ATOM 2164 C GLN A 143 10.851 4.635 5.090 1.00 0.52 C ATOM 2165 O GLN A 143 11.213 3.508 5.437 1.00 0.57 O ATOM 2166 CB GLN A 143 12.318 6.487 5.945 1.00 0.59 C ATOM 2167 CG GLN A 143 13.472 5.851 6.710 1.00 0.64 C ATOM 2168 CD GLN A 143 13.882 6.662 7.925 1.00 0.89 C ATOM 2169 OE1 GLN A 143 14.742 7.539 7.838 1.00 1.62 O ATOM 2170 NE2 GLN A 143 13.268 6.371 9.066 1.00 1.55 N ATOM 0 H GLN A 143 11.340 7.605 4.024 1.00 0.49 H new ATOM 0 HA GLN A 143 12.739 5.205 4.283 1.00 0.54 H new ATOM 0 HB2 GLN A 143 12.611 7.490 5.637 1.00 0.59 H new ATOM 0 HB3 GLN A 143 11.468 6.596 6.618 1.00 0.59 H new ATOM 0 HG2 GLN A 143 13.185 4.848 7.027 1.00 0.64 H new ATOM 0 HG3 GLN A 143 14.328 5.742 6.044 1.00 0.64 H new ATOM 0 HE21 GLN A 143 12.561 5.636 9.092 1.00 1.55 H new ATOM 0 HE22 GLN A 143 13.503 6.882 9.917 1.00 1.55 H new ATOM 2179 N MET A 144 9.566 5.021 5.014 1.00 0.49 N ATOM 2180 CA MET A 144 8.451 4.114 5.246 1.00 0.49 C ATOM 2181 C MET A 144 8.552 2.951 4.253 1.00 0.51 C ATOM 2182 O MET A 144 8.237 1.804 4.585 1.00 0.58 O ATOM 2183 CB MET A 144 7.117 4.859 5.046 1.00 0.52 C ATOM 2184 CG MET A 144 5.947 4.286 5.838 1.00 0.93 C ATOM 2185 SD MET A 144 6.172 4.488 7.617 1.00 2.33 S ATOM 2186 CE MET A 144 4.491 4.779 8.155 1.00 3.20 C ATOM 0 H MET A 144 9.281 5.974 4.789 1.00 0.49 H new ATOM 0 HA MET A 144 8.488 3.735 6.267 1.00 0.49 H new ATOM 0 HB2 MET A 144 7.253 5.903 5.328 1.00 0.52 H new ATOM 0 HB3 MET A 144 6.863 4.845 3.986 1.00 0.52 H new ATOM 0 HG2 MET A 144 5.025 4.779 5.531 1.00 0.93 H new ATOM 0 HG3 MET A 144 5.835 3.227 5.605 1.00 0.93 H new ATOM 0 HE1 MET A 144 4.409 4.571 9.222 1.00 3.20 H new ATOM 0 HE2 MET A 144 4.223 5.819 7.966 1.00 3.20 H new ATOM 0 HE3 MET A 144 3.815 4.125 7.605 1.00 3.20 H new ATOM 2196 N MET A 145 9.003 3.283 3.025 1.00 0.49 N ATOM 2197 CA MET A 145 9.171 2.290 1.966 1.00 0.56 C ATOM 2198 C MET A 145 10.596 1.708 1.932 1.00 0.62 C ATOM 2199 O MET A 145 10.759 0.503 1.720 1.00 0.75 O ATOM 2200 CB MET A 145 8.812 2.904 0.609 1.00 0.58 C ATOM 2201 CG MET A 145 8.355 1.892 -0.448 1.00 1.52 C ATOM 2202 SD MET A 145 9.622 0.686 -0.893 1.00 2.50 S ATOM 2203 CE MET A 145 8.748 -0.290 -2.114 1.00 3.22 C ATOM 0 H MET A 145 9.255 4.233 2.752 1.00 0.49 H new ATOM 0 HA MET A 145 8.493 1.464 2.181 1.00 0.56 H new ATOM 0 HB2 MET A 145 8.021 3.639 0.755 1.00 0.58 H new ATOM 0 HB3 MET A 145 9.680 3.442 0.227 1.00 0.58 H new ATOM 0 HG2 MET A 145 7.477 1.363 -0.077 1.00 1.52 H new ATOM 0 HG3 MET A 145 8.047 2.430 -1.345 1.00 1.52 H new ATOM 0 HE1 MET A 145 9.402 -1.079 -2.485 1.00 3.22 H new ATOM 0 HE2 MET A 145 7.864 -0.735 -1.659 1.00 3.22 H new ATOM 0 HE3 MET A 145 8.446 0.350 -2.943 1.00 3.22 H new ATOM 2213 N THR A 146 11.624 2.556 2.158 1.00 0.59 N ATOM 2214 CA THR A 146 13.020 2.120 2.083 1.00 0.68 C ATOM 2215 C THR A 146 13.430 1.189 3.232 1.00 0.78 C ATOM 2216 O THR A 146 14.340 0.370 3.073 1.00 0.89 O ATOM 2217 CB THR A 146 13.994 3.315 2.060 1.00 0.69 C ATOM 2218 OG1 THR A 146 13.326 4.529 2.411 1.00 0.63 O ATOM 2219 CG2 THR A 146 14.637 3.470 0.689 1.00 0.71 C ATOM 0 H THR A 146 11.505 3.542 2.393 1.00 0.59 H new ATOM 0 HA THR A 146 13.085 1.564 1.147 1.00 0.68 H new ATOM 0 HB THR A 146 14.772 3.113 2.796 1.00 0.69 H new ATOM 0 HG1 THR A 146 13.972 5.160 2.791 1.00 0.63 H new ATOM 0 HG21 THR A 146 15.319 4.320 0.701 1.00 0.71 H new ATOM 0 HG22 THR A 146 15.191 2.564 0.442 1.00 0.71 H new ATOM 0 HG23 THR A 146 13.862 3.637 -0.059 1.00 0.71 H new ATOM 2227 N ALA A 147 12.753 1.322 4.378 1.00 0.77 N ATOM 2228 CA ALA A 147 13.027 0.502 5.550 1.00 0.88 C ATOM 2229 C ALA A 147 12.191 -0.776 5.549 1.00 0.94 C ATOM 2230 O ALA A 147 10.988 -0.739 5.275 1.00 0.91 O ATOM 2231 CB ALA A 147 12.780 1.295 6.824 1.00 0.90 C ATOM 0 H ALA A 147 12.003 2.000 4.513 1.00 0.77 H new ATOM 0 HA ALA A 147 14.077 0.212 5.512 1.00 0.88 H new ATOM 0 HB1 ALA A 147 12.990 0.667 7.690 1.00 0.90 H new ATOM 0 HB2 ALA A 147 13.433 2.167 6.842 1.00 0.90 H new ATOM 0 HB3 ALA A 147 11.740 1.620 6.855 1.00 0.90 H new ATOM 2237 N LYS A 148 12.845 -1.901 5.859 1.00 1.08 N ATOM 2238 CA LYS A 148 12.181 -3.205 5.901 1.00 1.19 C ATOM 2239 C LYS A 148 11.841 -3.597 7.339 1.00 1.63 C ATOM 2240 O LYS A 148 10.640 -3.778 7.631 1.00 2.21 O ATOM 2241 CB LYS A 148 13.063 -4.285 5.249 1.00 1.53 C ATOM 2242 CG LYS A 148 13.172 -4.177 3.729 1.00 2.17 C ATOM 2243 CD LYS A 148 14.278 -3.218 3.303 1.00 2.29 C ATOM 2244 CE LYS A 148 14.366 -3.108 1.789 1.00 3.11 C ATOM 2245 NZ LYS A 148 15.446 -2.176 1.362 1.00 3.56 N ATOM 2246 OXT LYS A 148 12.775 -3.708 8.163 1.00 2.14 O ATOM 0 H LYS A 148 13.839 -1.932 6.085 1.00 1.08 H new ATOM 0 HA LYS A 148 11.252 -3.127 5.337 1.00 1.19 H new ATOM 0 HB2 LYS A 148 14.063 -4.228 5.678 1.00 1.53 H new ATOM 0 HB3 LYS A 148 12.663 -5.266 5.504 1.00 1.53 H new ATOM 0 HG2 LYS A 148 13.366 -5.164 3.308 1.00 2.17 H new ATOM 0 HG3 LYS A 148 12.220 -3.837 3.320 1.00 2.17 H new ATOM 0 HD2 LYS A 148 14.092 -2.233 3.730 1.00 2.29 H new ATOM 0 HD3 LYS A 148 15.233 -3.562 3.700 1.00 2.29 H new ATOM 0 HE2 LYS A 148 14.549 -4.095 1.363 1.00 3.11 H new ATOM 0 HE3 LYS A 148 13.411 -2.762 1.394 1.00 3.11 H new ATOM 0 HZ1 LYS A 148 15.419 -2.063 0.329 1.00 3.56 H new ATOM 0 HZ2 LYS A 148 15.305 -1.251 1.815 1.00 3.56 H new ATOM 0 HZ3 LYS A 148 16.370 -2.563 1.644 1.00 3.56 H new ATOM 2490 N LYS B 516 2.204 1.944 8.494 1.00 0.00 N ATOM 2491 CA LYS B 516 2.906 1.280 7.382 1.00 0.00 C ATOM 2492 C LYS B 516 1.972 0.352 6.577 1.00 0.00 C ATOM 2493 O LYS B 516 2.244 -0.844 6.402 1.00 0.00 O ATOM 2494 CB LYS B 516 4.118 0.497 7.916 1.00 0.00 C ATOM 2495 CG LYS B 516 5.265 1.376 8.392 1.00 0.00 C ATOM 2496 CD LYS B 516 6.436 0.544 8.889 1.00 0.00 C ATOM 2497 CE LYS B 516 7.587 1.423 9.350 1.00 0.00 C ATOM 2498 NZ LYS B 516 8.743 0.616 9.832 1.00 0.00 N ATOM 0 HA LYS B 516 3.252 2.056 6.699 1.00 0.00 H new ATOM 0 HB2 LYS B 516 3.793 -0.136 8.742 1.00 0.00 H new ATOM 0 HB3 LYS B 516 4.484 -0.165 7.131 1.00 0.00 H new ATOM 0 HG2 LYS B 516 5.595 2.019 7.576 1.00 0.00 H new ATOM 0 HG3 LYS B 516 4.916 2.029 9.192 1.00 0.00 H new ATOM 0 HD2 LYS B 516 6.109 -0.091 9.712 1.00 0.00 H new ATOM 0 HD3 LYS B 516 6.778 -0.117 8.093 1.00 0.00 H new ATOM 0 HE2 LYS B 516 7.908 2.062 8.527 1.00 0.00 H new ATOM 0 HE3 LYS B 516 7.245 2.080 10.149 1.00 0.00 H new ATOM 0 HZ1 LYS B 516 9.507 1.252 10.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 516 8.444 0.025 10.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 516 9.086 0.007 9.062 1.00 0.00 H new ATOM 2512 N VAL B 517 0.868 0.930 6.089 1.00 0.00 N ATOM 2513 CA VAL B 517 -0.124 0.201 5.290 1.00 0.00 C ATOM 2514 C VAL B 517 -0.836 1.114 4.332 1.00 0.00 C ATOM 2515 O VAL B 517 -0.906 0.850 3.134 1.00 0.00 O ATOM 2516 CB VAL B 517 -1.168 -0.573 6.130 1.00 0.00 C ATOM 2517 CG1 VAL B 517 -0.821 -2.039 6.105 1.00 0.00 C ATOM 2518 CG2 VAL B 517 -1.265 -0.065 7.569 1.00 0.00 C ATOM 0 H VAL B 517 0.638 1.913 6.236 1.00 0.00 H new ATOM 0 HA VAL B 517 0.455 -0.540 4.739 1.00 0.00 H new ATOM 0 HB VAL B 517 -2.149 -0.409 5.685 1.00 0.00 H new ATOM 0 HG11 VAL B 517 -1.550 -2.596 6.694 1.00 0.00 H new ATOM 0 HG12 VAL B 517 -0.835 -2.399 5.076 1.00 0.00 H new ATOM 0 HG13 VAL B 517 0.173 -2.185 6.527 1.00 0.00 H new ATOM 0 HG21 VAL B 517 -2.013 -0.645 8.110 1.00 0.00 H new ATOM 0 HG22 VAL B 517 -0.297 -0.173 8.059 1.00 0.00 H new ATOM 0 HG23 VAL B 517 -1.554 0.986 7.565 1.00 0.00 H new ATOM 2528 N LEU B 518 -1.353 2.191 4.874 1.00 0.00 N ATOM 2529 CA LEU B 518 -2.049 3.212 4.118 1.00 0.00 C ATOM 2530 C LEU B 518 -1.093 3.988 3.190 1.00 0.00 C ATOM 2531 O LEU B 518 -1.471 4.989 2.572 1.00 0.00 O ATOM 2532 CB LEU B 518 -2.730 4.142 5.113 1.00 0.00 C ATOM 2533 CG LEU B 518 -3.888 3.554 5.968 1.00 0.00 C ATOM 2534 CD1 LEU B 518 -4.706 2.504 5.215 1.00 0.00 C ATOM 2535 CD2 LEU B 518 -3.345 2.966 7.263 1.00 0.00 C ATOM 0 H LEU B 518 -1.302 2.389 5.873 1.00 0.00 H new ATOM 0 HA LEU B 518 -2.790 2.748 3.467 1.00 0.00 H new ATOM 0 HB2 LEU B 518 -1.968 4.522 5.794 1.00 0.00 H new ATOM 0 HB3 LEU B 518 -3.120 4.998 4.561 1.00 0.00 H new ATOM 0 HG LEU B 518 -4.562 4.380 6.196 1.00 0.00 H new ATOM 0 HD11 LEU B 518 -5.500 2.129 5.861 1.00 0.00 H new ATOM 0 HD12 LEU B 518 -5.145 2.955 4.325 1.00 0.00 H new ATOM 0 HD13 LEU B 518 -4.057 1.679 4.921 1.00 0.00 H new ATOM 0 HD21 LEU B 518 -4.168 2.558 7.851 1.00 0.00 H new ATOM 0 HD22 LEU B 518 -2.635 2.172 7.032 1.00 0.00 H new ATOM 0 HD23 LEU B 518 -2.843 3.747 7.835 1.00 0.00 H new ATOM 2547 N VAL B 519 0.151 3.501 3.113 1.00 0.00 N ATOM 2548 CA VAL B 519 1.190 4.077 2.270 1.00 0.00 C ATOM 2549 C VAL B 519 1.917 2.934 1.581 1.00 0.00 C ATOM 2550 O VAL B 519 2.226 3.015 0.389 1.00 0.00 O ATOM 2551 CB VAL B 519 2.190 4.961 3.081 1.00 0.00 C ATOM 2552 CG1 VAL B 519 3.142 5.725 2.159 1.00 0.00 C ATOM 2553 CG2 VAL B 519 1.459 5.956 3.976 1.00 0.00 C ATOM 0 H VAL B 519 0.462 2.687 3.643 1.00 0.00 H new ATOM 0 HA VAL B 519 0.729 4.739 1.537 1.00 0.00 H new ATOM 0 HB VAL B 519 2.769 4.279 3.704 1.00 0.00 H new ATOM 0 HG11 VAL B 519 3.823 6.329 2.759 1.00 0.00 H new ATOM 0 HG12 VAL B 519 3.716 5.017 1.561 1.00 0.00 H new ATOM 0 HG13 VAL B 519 2.567 6.374 1.499 1.00 0.00 H new ATOM 0 HG21 VAL B 519 2.186 6.554 4.525 1.00 0.00 H new ATOM 0 HG22 VAL B 519 0.840 6.611 3.363 1.00 0.00 H new ATOM 0 HG23 VAL B 519 0.827 5.415 4.681 1.00 0.00 H new ATOM 2563 N LYS B 520 2.177 1.866 2.346 1.00 0.00 N ATOM 2564 CA LYS B 520 2.819 0.675 1.831 1.00 0.00 C ATOM 2565 C LYS B 520 1.934 -0.068 0.840 1.00 0.00 C ATOM 2566 O LYS B 520 2.430 -0.678 -0.112 1.00 0.00 O ATOM 2567 CB LYS B 520 3.186 -0.240 2.979 1.00 0.00 C ATOM 2568 CG LYS B 520 4.649 -0.642 2.958 1.00 0.00 C ATOM 2569 CD LYS B 520 5.142 -0.979 1.537 1.00 0.00 C ATOM 2570 CE LYS B 520 5.959 -2.265 1.500 1.00 0.00 C ATOM 2571 NZ LYS B 520 7.292 -2.105 2.150 1.00 0.00 N ATOM 0 H LYS B 520 1.944 1.815 3.338 1.00 0.00 H new ATOM 0 HA LYS B 520 3.718 0.985 1.298 1.00 0.00 H new ATOM 0 HB2 LYS B 520 2.963 0.259 3.922 1.00 0.00 H new ATOM 0 HB3 LYS B 520 2.566 -1.136 2.938 1.00 0.00 H new ATOM 0 HG2 LYS B 520 5.252 0.169 3.367 1.00 0.00 H new ATOM 0 HG3 LYS B 520 4.795 -1.506 3.606 1.00 0.00 H new ATOM 0 HD2 LYS B 520 4.285 -1.076 0.871 1.00 0.00 H new ATOM 0 HD3 LYS B 520 5.748 -0.155 1.160 1.00 0.00 H new ATOM 0 HE2 LYS B 520 5.406 -3.059 2.001 1.00 0.00 H new ATOM 0 HE3 LYS B 520 6.097 -2.576 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS B 520 7.812 -3.004 2.101 1.00 0.00 H new ATOM 0 HZ2 LYS B 520 7.832 -1.365 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS B 520 7.162 -1.834 3.146 1.00 0.00 H new ATOM 2585 N ALA B 521 0.619 -0.008 1.078 1.00 0.00 N ATOM 2586 CA ALA B 521 -0.363 -0.621 0.192 1.00 0.00 C ATOM 2587 C ALA B 521 -0.682 0.355 -0.940 1.00 0.00 C ATOM 2588 O ALA B 521 -1.696 0.254 -1.642 1.00 0.00 O ATOM 2589 CB ALA B 521 -1.606 -0.992 0.971 1.00 0.00 C ATOM 0 H ALA B 521 0.213 0.464 1.886 1.00 0.00 H new ATOM 0 HA ALA B 521 0.039 -1.538 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA B 521 -2.333 -1.449 0.300 1.00 0.00 H new ATOM 0 HB2 ALA B 521 -1.344 -1.699 1.758 1.00 0.00 H new ATOM 0 HB3 ALA B 521 -2.037 -0.096 1.417 1.00 0.00 H new ATOM 2595 N VAL B 522 0.254 1.286 -1.094 1.00 0.00 N ATOM 2596 CA VAL B 522 0.200 2.350 -2.067 1.00 0.00 C ATOM 2597 C VAL B 522 1.556 2.478 -2.779 1.00 0.00 C ATOM 2598 O VAL B 522 1.616 3.002 -3.895 1.00 0.00 O ATOM 2599 CB VAL B 522 -0.211 3.729 -1.465 1.00 0.00 C ATOM 2600 CG1 VAL B 522 -0.974 4.545 -2.499 1.00 0.00 C ATOM 2601 CG2 VAL B 522 -1.062 3.585 -0.206 1.00 0.00 C ATOM 0 H VAL B 522 1.097 1.314 -0.520 1.00 0.00 H new ATOM 0 HA VAL B 522 -0.580 2.077 -2.777 1.00 0.00 H new ATOM 0 HB VAL B 522 0.710 4.241 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL B 522 -1.256 5.506 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL B 522 -0.341 4.710 -3.371 1.00 0.00 H new ATOM 0 HG13 VAL B 522 -1.872 4.004 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL B 522 -1.321 4.574 0.173 1.00 0.00 H new ATOM 0 HG22 VAL B 522 -1.974 3.037 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL B 522 -0.500 3.041 0.553 1.00 0.00 H new ATOM 2611 N LEU B 523 2.649 1.997 -2.131 1.00 0.00 N ATOM 2612 CA LEU B 523 3.978 2.037 -2.738 1.00 0.00 C ATOM 2613 C LEU B 523 4.237 0.716 -3.456 1.00 0.00 C ATOM 2614 O LEU B 523 5.286 0.521 -4.075 1.00 0.00 O ATOM 2615 CB LEU B 523 5.062 2.292 -1.684 1.00 0.00 C ATOM 2616 CG LEU B 523 4.977 3.649 -0.981 1.00 0.00 C ATOM 2617 CD1 LEU B 523 5.235 3.499 0.510 1.00 0.00 C ATOM 2618 CD2 LEU B 523 5.941 4.659 -1.591 1.00 0.00 C ATOM 0 H LEU B 523 2.623 1.584 -1.199 1.00 0.00 H new ATOM 0 HA LEU B 523 4.015 2.859 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU B 523 5.007 1.506 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU B 523 6.038 2.208 -2.162 1.00 0.00 H new ATOM 0 HG LEU B 523 3.965 4.029 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU B 523 5.170 4.475 0.991 1.00 0.00 H new ATOM 0 HD12 LEU B 523 4.490 2.831 0.943 1.00 0.00 H new ATOM 0 HD13 LEU B 523 6.230 3.083 0.667 1.00 0.00 H new ATOM 0 HD21 LEU B 523 5.852 5.610 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU B 523 6.962 4.288 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU B 523 5.700 4.802 -2.644 1.00 0.00 H new ATOM 2630 N PHE B 524 3.261 -0.194 -3.340 1.00 0.00 N ATOM 2631 CA PHE B 524 3.325 -1.499 -3.979 1.00 0.00 C ATOM 2632 C PHE B 524 2.683 -1.467 -5.379 1.00 0.00 C ATOM 2633 O PHE B 524 3.235 -2.023 -6.334 1.00 0.00 O ATOM 2634 CB PHE B 524 2.661 -2.562 -3.067 1.00 0.00 C ATOM 2635 CG PHE B 524 1.588 -3.396 -3.725 1.00 0.00 C ATOM 2636 CD1 PHE B 524 0.257 -3.023 -3.642 1.00 0.00 C ATOM 2637 CD2 PHE B 524 1.918 -4.537 -4.438 1.00 0.00 C ATOM 2638 CE1 PHE B 524 -0.726 -3.774 -4.256 1.00 0.00 C ATOM 2639 CE2 PHE B 524 0.940 -5.292 -5.053 1.00 0.00 C ATOM 2640 CZ PHE B 524 -0.384 -4.910 -4.963 1.00 0.00 C ATOM 0 H PHE B 524 2.410 -0.039 -2.800 1.00 0.00 H new ATOM 0 HA PHE B 524 4.371 -1.772 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE B 524 3.436 -3.229 -2.690 1.00 0.00 H new ATOM 0 HB3 PHE B 524 2.227 -2.057 -2.204 1.00 0.00 H new ATOM 0 HD1 PHE B 524 -0.015 -2.135 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE B 524 2.952 -4.839 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE B 524 -1.761 -3.473 -4.183 1.00 0.00 H new ATOM 0 HE2 PHE B 524 1.210 -6.181 -5.604 1.00 0.00 H new ATOM 0 HZ PHE B 524 -1.151 -5.499 -5.445 1.00 0.00 H new ATOM 2650 N ALA B 525 1.520 -0.812 -5.477 1.00 0.00 N ATOM 2651 CA ALA B 525 0.765 -0.719 -6.732 1.00 0.00 C ATOM 2652 C ALA B 525 1.203 0.461 -7.616 1.00 0.00 C ATOM 2653 O ALA B 525 0.686 0.623 -8.728 1.00 0.00 O ATOM 2654 CB ALA B 525 -0.722 -0.615 -6.414 1.00 0.00 C ATOM 0 H ALA B 525 1.077 -0.334 -4.692 1.00 0.00 H new ATOM 0 HA ALA B 525 0.972 -1.623 -7.305 1.00 0.00 H new ATOM 0 HB1 ALA B 525 -1.289 -0.546 -7.343 1.00 0.00 H new ATOM 0 HB2 ALA B 525 -1.039 -1.499 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA B 525 -0.904 0.274 -5.811 1.00 0.00 H new ATOM 2660 N CYS B 526 2.159 1.273 -7.134 1.00 0.00 N ATOM 2661 CA CYS B 526 2.645 2.436 -7.896 1.00 0.00 C ATOM 2662 C CYS B 526 3.657 2.053 -8.998 1.00 0.00 C ATOM 2663 O CYS B 526 4.223 2.934 -9.656 1.00 0.00 O ATOM 2664 CB CYS B 526 3.272 3.457 -6.943 1.00 0.00 C ATOM 2665 SG CYS B 526 3.381 5.126 -7.631 1.00 0.00 S ATOM 0 H CYS B 526 2.608 1.147 -6.227 1.00 0.00 H new ATOM 0 HA CYS B 526 1.781 2.872 -8.397 1.00 0.00 H new ATOM 0 HB2 CYS B 526 2.686 3.490 -6.024 1.00 0.00 H new ATOM 0 HB3 CYS B 526 4.272 3.120 -6.671 1.00 0.00 H new ATOM 0 HG CYS B 526 3.780 5.061 -8.866 1.00 0.00 H new ATOM 2671 N MET B 527 3.864 0.744 -9.207 1.00 0.00 N ATOM 2672 CA MET B 527 4.806 0.262 -10.226 1.00 0.00 C ATOM 2673 C MET B 527 4.130 -0.586 -11.310 1.00 0.00 C ATOM 2674 O MET B 527 4.733 -0.835 -12.359 1.00 0.00 O ATOM 2675 CB MET B 527 5.927 -0.547 -9.570 1.00 0.00 C ATOM 2676 CG MET B 527 7.118 0.289 -9.113 1.00 0.00 C ATOM 2677 SD MET B 527 7.397 0.183 -7.336 1.00 0.00 S ATOM 2678 CE MET B 527 6.200 1.371 -6.737 1.00 0.00 C ATOM 0 H MET B 527 3.394 0.004 -8.686 1.00 0.00 H new ATOM 0 HA MET B 527 5.216 1.146 -10.714 1.00 0.00 H new ATOM 0 HB2 MET B 527 5.520 -1.079 -8.710 1.00 0.00 H new ATOM 0 HB3 MET B 527 6.276 -1.301 -10.276 1.00 0.00 H new ATOM 0 HG2 MET B 527 8.013 -0.043 -9.638 1.00 0.00 H new ATOM 0 HG3 MET B 527 6.954 1.330 -9.390 1.00 0.00 H new ATOM 0 HE1 MET B 527 6.443 1.647 -5.711 1.00 0.00 H new ATOM 0 HE2 MET B 527 6.223 2.260 -7.367 1.00 0.00 H new ATOM 0 HE3 MET B 527 5.203 0.931 -6.768 1.00 0.00 H new ATOM 2688 N LEU B 528 2.883 -1.030 -11.059 1.00 0.00 N ATOM 2689 CA LEU B 528 2.122 -1.858 -12.016 1.00 0.00 C ATOM 2690 C LEU B 528 1.991 -1.203 -13.402 1.00 0.00 C ATOM 2691 O LEU B 528 1.947 -1.900 -14.420 1.00 0.00 O ATOM 2692 CB LEU B 528 0.727 -2.166 -11.465 1.00 0.00 C ATOM 2693 CG LEU B 528 0.716 -2.800 -10.076 1.00 0.00 C ATOM 2694 CD1 LEU B 528 -0.586 -2.490 -9.360 1.00 0.00 C ATOM 2695 CD2 LEU B 528 0.939 -4.303 -10.146 1.00 0.00 C ATOM 0 H LEU B 528 2.378 -0.828 -10.196 1.00 0.00 H new ATOM 0 HA LEU B 528 2.687 -2.781 -12.142 1.00 0.00 H new ATOM 0 HB2 LEU B 528 0.152 -1.241 -11.432 1.00 0.00 H new ATOM 0 HB3 LEU B 528 0.216 -2.834 -12.159 1.00 0.00 H new ATOM 0 HG LEU B 528 1.541 -2.368 -9.509 1.00 0.00 H new ATOM 0 HD11 LEU B 528 -0.576 -2.950 -8.372 1.00 0.00 H new ATOM 0 HD12 LEU B 528 -0.696 -1.411 -9.257 1.00 0.00 H new ATOM 0 HD13 LEU B 528 -1.422 -2.887 -9.936 1.00 0.00 H new ATOM 0 HD21 LEU B 528 0.925 -4.720 -9.139 1.00 0.00 H new ATOM 0 HD22 LEU B 528 0.148 -4.761 -10.740 1.00 0.00 H new ATOM 0 HD23 LEU B 528 1.904 -4.506 -10.610 1.00 0.00 H new ATOM 2707 N MET B 529 1.930 0.135 -13.420 1.00 0.00 N ATOM 2708 CA MET B 529 1.806 0.900 -14.665 1.00 0.00 C ATOM 2709 C MET B 529 2.906 1.958 -14.798 1.00 0.00 C ATOM 2710 O MET B 529 3.178 2.430 -15.905 1.00 0.00 O ATOM 2711 CB MET B 529 0.433 1.570 -14.742 1.00 0.00 C ATOM 2712 CG MET B 529 -0.681 0.632 -15.186 1.00 0.00 C ATOM 2713 SD MET B 529 -0.500 0.088 -16.898 1.00 0.00 S ATOM 2714 CE MET B 529 -1.143 1.505 -17.791 1.00 0.00 C ATOM 0 H MET B 529 1.965 0.712 -12.580 1.00 0.00 H new ATOM 0 HA MET B 529 1.916 0.196 -15.490 1.00 0.00 H new ATOM 0 HB2 MET B 529 0.183 1.979 -13.763 1.00 0.00 H new ATOM 0 HB3 MET B 529 0.487 2.410 -15.435 1.00 0.00 H new ATOM 0 HG2 MET B 529 -0.697 -0.240 -14.533 1.00 0.00 H new ATOM 0 HG3 MET B 529 -1.641 1.135 -15.069 1.00 0.00 H new ATOM 0 HE1 MET B 529 -1.094 1.313 -18.863 1.00 0.00 H new ATOM 0 HE2 MET B 529 -2.179 1.679 -17.501 1.00 0.00 H new ATOM 0 HE3 MET B 529 -0.547 2.386 -17.553 1.00 0.00 H new ATOM 2724 N ARG B 530 3.544 2.315 -13.657 1.00 0.00 N ATOM 2725 CA ARG B 530 4.627 3.322 -13.588 1.00 0.00 C ATOM 2726 C ARG B 530 4.315 4.607 -14.386 1.00 0.00 C ATOM 2727 O ARG B 530 5.189 5.178 -15.050 1.00 0.00 O ATOM 2728 CB ARG B 530 5.945 2.687 -14.044 1.00 0.00 C ATOM 2729 CG ARG B 530 7.034 2.743 -12.989 1.00 0.00 C ATOM 2730 CD ARG B 530 8.324 2.107 -13.482 1.00 0.00 C ATOM 2731 NE ARG B 530 9.389 2.172 -12.475 1.00 0.00 N ATOM 2732 CZ ARG B 530 10.660 1.800 -12.682 1.00 0.00 C ATOM 2733 NH1 ARG B 530 11.057 1.328 -13.863 1.00 0.00 N ATOM 2734 NH2 ARG B 530 11.541 1.902 -11.696 1.00 0.00 N ATOM 0 H ARG B 530 3.318 1.907 -12.750 1.00 0.00 H new ATOM 0 HA ARG B 530 4.716 3.639 -12.549 1.00 0.00 H new ATOM 0 HB2 ARG B 530 5.765 1.647 -14.315 1.00 0.00 H new ATOM 0 HB3 ARG B 530 6.293 3.195 -14.943 1.00 0.00 H new ATOM 0 HG2 ARG B 530 7.221 3.781 -12.713 1.00 0.00 H new ATOM 0 HG3 ARG B 530 6.696 2.230 -12.089 1.00 0.00 H new ATOM 0 HD2 ARG B 530 8.137 1.066 -13.745 1.00 0.00 H new ATOM 0 HD3 ARG B 530 8.653 2.612 -14.390 1.00 0.00 H new ATOM 0 HE ARG B 530 9.144 2.526 -11.550 1.00 0.00 H new ATOM 0 HH11 ARG B 530 10.389 1.245 -14.629 1.00 0.00 H new ATOM 0 HH12 ARG B 530 12.029 1.050 -14.001 1.00 0.00 H new ATOM 0 HH21 ARG B 530 11.250 2.262 -10.787 1.00 0.00 H new ATOM 0 HH22 ARG B 530 12.510 1.621 -11.847 1.00 0.00 H new