USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 638 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 Single : A 8 ASN :FLIP amide:sc= -0.249 F(o=-0.97,f=-0.25) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 0.73 (180deg=0.665) USER MOD Single : A 25 SER OG : rot 140:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 165:sc= -0.0517 (180deg=-0.278) USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= -0.105 (180deg=-0.521) USER MOD Single : A 32 MET CE :methyl -161:sc= 0 (180deg=-0.00647) USER MOD Single : A 34 MET CE :methyl -131:sc= 0 (180deg=-0.528) USER MOD Single : A 40 THR OG1 : rot -120:sc= 0.958 USER MOD Single : A 43 TYR OH : rot 72:sc= 0.602 USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= 1.07 (180deg=0.339) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 131:sc= -1.95! USER MOD Single : A 62 SER OG : rot 180:sc= -0.0913 USER MOD Single : A 64 SER OG : rot 45:sc= 0.296 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= 1.31 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 56 N GLY A 4 7.218 2.394 9.554 1.00 15.04 N ATOM 57 CA GLY A 4 6.759 2.208 8.197 1.00 12.54 C ATOM 58 C GLY A 4 7.270 0.920 7.596 1.00 14.33 C ATOM 59 O GLY A 4 8.436 0.823 7.217 1.00 44.45 O ATOM 0 HA2 GLY A 4 5.669 2.208 8.180 1.00 12.54 H new ATOM 0 HA3 GLY A 4 7.087 3.048 7.585 1.00 12.54 H new ATOM 63 N ILE A 5 6.404 -0.075 7.530 1.00 74.21 N ATOM 64 CA ILE A 5 6.751 -1.348 6.921 1.00 41.45 C ATOM 65 C ILE A 5 6.281 -1.371 5.475 1.00 14.15 C ATOM 66 O ILE A 5 5.455 -0.547 5.075 1.00 20.33 O ATOM 67 CB ILE A 5 6.136 -2.547 7.677 1.00 51.53 C ATOM 68 CG1 ILE A 5 4.607 -2.438 7.711 1.00 14.15 C ATOM 69 CG2 ILE A 5 6.703 -2.630 9.086 1.00 63.32 C ATOM 70 CD1 ILE A 5 3.921 -3.631 8.345 1.00 14.52 C ATOM 0 H ILE A 5 5.452 -0.026 7.892 1.00 74.21 H new ATOM 0 HA ILE A 5 7.836 -1.445 6.970 1.00 41.45 H new ATOM 0 HB ILE A 5 6.398 -3.463 7.146 1.00 51.53 H new ATOM 0 HG12 ILE A 5 4.329 -1.538 8.259 1.00 14.15 H new ATOM 0 HG13 ILE A 5 4.238 -2.318 6.692 1.00 14.15 H new ATOM 0 HG21 ILE A 5 6.261 -3.479 9.607 1.00 63.32 H new ATOM 0 HG22 ILE A 5 7.784 -2.758 9.036 1.00 63.32 H new ATOM 0 HG23 ILE A 5 6.471 -1.712 9.626 1.00 63.32 H new ATOM 0 HD11 ILE A 5 2.842 -3.479 8.332 1.00 14.52 H new ATOM 0 HD12 ILE A 5 4.168 -4.533 7.785 1.00 14.52 H new ATOM 0 HD13 ILE A 5 4.260 -3.740 9.375 1.00 14.52 H new ATOM 82 N GLY A 6 6.810 -2.300 4.694 1.00 22.22 N ATOM 83 CA GLY A 6 6.433 -2.388 3.299 1.00 30.21 C ATOM 84 C GLY A 6 4.958 -2.690 3.122 1.00 70.42 C ATOM 85 O GLY A 6 4.397 -3.530 3.824 1.00 70.24 O ATOM 0 H GLY A 6 7.492 -2.993 5.000 1.00 22.22 H new ATOM 0 HA2 GLY A 6 6.672 -1.449 2.800 1.00 30.21 H new ATOM 0 HA3 GLY A 6 7.022 -3.166 2.814 1.00 30.21 H new ATOM 89 N LEU A 7 4.344 -2.001 2.174 1.00 31.25 N ATOM 90 CA LEU A 7 2.912 -2.098 1.924 1.00 24.22 C ATOM 91 C LEU A 7 2.489 -3.523 1.551 1.00 52.14 C ATOM 92 O LEU A 7 1.347 -3.917 1.777 1.00 50.13 O ATOM 93 CB LEU A 7 2.538 -1.109 0.815 1.00 5.54 C ATOM 94 CG LEU A 7 1.056 -1.021 0.457 1.00 51.21 C ATOM 95 CD1 LEU A 7 0.217 -0.675 1.677 1.00 23.04 C ATOM 96 CD2 LEU A 7 0.850 0.014 -0.634 1.00 20.23 C ATOM 0 H LEU A 7 4.827 -1.354 1.551 1.00 31.25 H new ATOM 0 HA LEU A 7 2.379 -1.847 2.841 1.00 24.22 H new ATOM 0 HB2 LEU A 7 2.877 -0.117 1.113 1.00 5.54 H new ATOM 0 HB3 LEU A 7 3.092 -1.378 -0.084 1.00 5.54 H new ATOM 0 HG LEU A 7 0.732 -1.996 0.093 1.00 51.21 H new ATOM 0 HD11 LEU A 7 -0.834 -0.619 1.392 1.00 23.04 H new ATOM 0 HD12 LEU A 7 0.346 -1.445 2.438 1.00 23.04 H new ATOM 0 HD13 LEU A 7 0.536 0.287 2.077 1.00 23.04 H new ATOM 0 HD21 LEU A 7 -0.209 0.072 -0.885 1.00 20.23 H new ATOM 0 HD22 LEU A 7 1.193 0.987 -0.282 1.00 20.23 H new ATOM 0 HD23 LEU A 7 1.418 -0.273 -1.519 1.00 20.23 H new ATOM 108 N ASN A 8 3.420 -4.303 1.014 1.00 72.34 N ATOM 109 CA ASN A 8 3.119 -5.673 0.606 1.00 74.25 C ATOM 110 C ASN A 8 3.089 -6.608 1.817 1.00 55.43 C ATOM 111 O ASN A 8 2.676 -7.762 1.710 1.00 62.34 O ATOM 112 CB ASN A 8 4.148 -6.177 -0.414 1.00 32.10 C ATOM 113 CG ASN A 8 5.503 -6.480 0.203 1.00 21.00 C ATOM 114 OD1 ASN A 8 6.397 -5.503 0.192 1.00 2.35 O flip ATOM 115 ND2 ASN A 8 5.748 -7.591 0.670 1.00 23.53 N flip ATOM 0 H ASN A 8 4.385 -4.014 0.851 1.00 72.34 H new ATOM 0 HA ASN A 8 2.134 -5.671 0.140 1.00 74.25 H new ATOM 0 HB2 ASN A 8 3.764 -7.078 -0.893 1.00 32.10 H new ATOM 0 HB3 ASN A 8 4.271 -5.428 -1.196 1.00 32.10 H new ATOM 0 HD21 ASN A 8 5.032 -8.318 0.660 1.00 23.53 H new ATOM 0 HD22 ASN A 8 6.667 -7.786 1.067 1.00 23.53 H new ATOM 122 N GLU A 9 3.525 -6.100 2.962 1.00 34.32 N ATOM 123 CA GLU A 9 3.610 -6.895 4.174 1.00 4.31 C ATOM 124 C GLU A 9 2.412 -6.642 5.080 1.00 32.22 C ATOM 125 O GLU A 9 2.228 -7.321 6.095 1.00 62.12 O ATOM 126 CB GLU A 9 4.893 -6.544 4.913 1.00 53.11 C ATOM 127 CG GLU A 9 6.151 -6.929 4.161 1.00 75.35 C ATOM 128 CD GLU A 9 7.396 -6.337 4.783 1.00 72.14 C ATOM 129 OE1 GLU A 9 7.503 -6.337 6.026 1.00 71.45 O ATOM 130 OE2 GLU A 9 8.270 -5.855 4.030 1.00 55.15 O ATOM 0 H GLU A 9 3.827 -5.132 3.074 1.00 34.32 H new ATOM 0 HA GLU A 9 3.612 -7.950 3.899 1.00 4.31 H new ATOM 0 HB2 GLU A 9 4.909 -5.471 5.106 1.00 53.11 H new ATOM 0 HB3 GLU A 9 4.892 -7.043 5.882 1.00 53.11 H new ATOM 0 HG2 GLU A 9 6.240 -8.015 4.139 1.00 75.35 H new ATOM 0 HG3 GLU A 9 6.070 -6.594 3.127 1.00 75.35 H new ATOM 137 N VAL A 10 1.603 -5.665 4.709 1.00 52.31 N ATOM 138 CA VAL A 10 0.455 -5.277 5.510 1.00 54.02 C ATOM 139 C VAL A 10 -0.688 -6.271 5.314 1.00 53.25 C ATOM 140 O VAL A 10 -0.710 -7.018 4.334 1.00 1.02 O ATOM 141 CB VAL A 10 -0.022 -3.851 5.147 1.00 61.03 C ATOM 142 CG1 VAL A 10 -1.044 -3.338 6.150 1.00 22.24 C ATOM 143 CG2 VAL A 10 1.158 -2.898 5.065 1.00 2.33 C ATOM 0 H VAL A 10 1.721 -5.123 3.853 1.00 52.31 H new ATOM 0 HA VAL A 10 0.760 -5.282 6.556 1.00 54.02 H new ATOM 0 HB VAL A 10 -0.503 -3.901 4.170 1.00 61.03 H new ATOM 0 HG11 VAL A 10 -1.359 -2.334 5.867 1.00 22.24 H new ATOM 0 HG12 VAL A 10 -1.909 -4.001 6.159 1.00 22.24 H new ATOM 0 HG13 VAL A 10 -0.597 -3.311 7.144 1.00 22.24 H new ATOM 0 HG21 VAL A 10 0.803 -1.900 4.809 1.00 2.33 H new ATOM 0 HG22 VAL A 10 1.667 -2.866 6.028 1.00 2.33 H new ATOM 0 HG23 VAL A 10 1.852 -3.244 4.299 1.00 2.33 H new ATOM 153 N GLU A 11 -1.618 -6.283 6.253 1.00 62.12 N ATOM 154 CA GLU A 11 -2.738 -7.205 6.220 1.00 4.21 C ATOM 155 C GLU A 11 -3.820 -6.696 5.271 1.00 22.21 C ATOM 156 O GLU A 11 -3.786 -5.549 4.825 1.00 24.44 O ATOM 157 CB GLU A 11 -3.297 -7.377 7.634 1.00 53.11 C ATOM 158 CG GLU A 11 -4.237 -8.557 7.807 1.00 53.10 C ATOM 159 CD GLU A 11 -4.739 -8.664 9.227 1.00 42.31 C ATOM 160 OE1 GLU A 11 -4.072 -9.325 10.050 1.00 33.42 O ATOM 161 OE2 GLU A 11 -5.791 -8.063 9.536 1.00 22.33 O ATOM 0 H GLU A 11 -1.618 -5.656 7.057 1.00 62.12 H new ATOM 0 HA GLU A 11 -2.396 -8.173 5.853 1.00 4.21 H new ATOM 0 HB2 GLU A 11 -2.464 -7.489 8.328 1.00 53.11 H new ATOM 0 HB3 GLU A 11 -3.825 -6.466 7.914 1.00 53.11 H new ATOM 0 HG2 GLU A 11 -5.083 -8.451 7.128 1.00 53.10 H new ATOM 0 HG3 GLU A 11 -3.721 -9.477 7.532 1.00 53.10 H new ATOM 168 N ILE A 12 -4.778 -7.553 4.973 1.00 14.02 N ATOM 169 CA ILE A 12 -5.843 -7.218 4.046 1.00 44.41 C ATOM 170 C ILE A 12 -7.058 -6.673 4.786 1.00 44.44 C ATOM 171 O ILE A 12 -7.185 -6.861 5.999 1.00 75.34 O ATOM 172 CB ILE A 12 -6.265 -8.440 3.204 1.00 52.23 C ATOM 173 CG1 ILE A 12 -6.726 -9.587 4.111 1.00 42.42 C ATOM 174 CG2 ILE A 12 -5.116 -8.888 2.310 1.00 43.43 C ATOM 175 CD1 ILE A 12 -7.209 -10.803 3.354 1.00 14.24 C ATOM 0 H ILE A 12 -4.841 -8.494 5.363 1.00 14.02 H new ATOM 0 HA ILE A 12 -5.454 -6.450 3.378 1.00 44.41 H new ATOM 0 HB ILE A 12 -7.103 -8.152 2.570 1.00 52.23 H new ATOM 0 HG12 ILE A 12 -5.901 -9.879 4.761 1.00 42.42 H new ATOM 0 HG13 ILE A 12 -7.529 -9.229 4.756 1.00 42.42 H new ATOM 0 HG21 ILE A 12 -5.428 -9.751 1.722 1.00 43.43 H new ATOM 0 HG22 ILE A 12 -4.837 -8.074 1.641 1.00 43.43 H new ATOM 0 HG23 ILE A 12 -4.260 -9.160 2.927 1.00 43.43 H new ATOM 0 HD11 ILE A 12 -7.519 -11.573 4.061 1.00 14.24 H new ATOM 0 HD12 ILE A 12 -8.055 -10.527 2.724 1.00 14.24 H new ATOM 0 HD13 ILE A 12 -6.402 -11.187 2.730 1.00 14.24 H new ATOM 187 N LYS A 13 -7.932 -5.976 4.052 1.00 22.34 N ATOM 188 CA LYS A 13 -9.183 -5.434 4.594 1.00 11.13 C ATOM 189 C LYS A 13 -8.923 -4.291 5.575 1.00 25.12 C ATOM 190 O LYS A 13 -9.851 -3.774 6.197 1.00 34.22 O ATOM 191 CB LYS A 13 -10.003 -6.535 5.277 1.00 41.35 C ATOM 192 CG LYS A 13 -10.383 -7.674 4.345 1.00 63.25 C ATOM 193 CD LYS A 13 -11.044 -8.814 5.101 1.00 0.11 C ATOM 194 CE LYS A 13 -11.401 -9.968 4.178 1.00 61.33 C ATOM 195 NZ LYS A 13 -11.966 -11.118 4.929 1.00 33.45 N ATOM 0 H LYS A 13 -7.791 -5.771 3.063 1.00 22.34 H new ATOM 0 HA LYS A 13 -9.754 -5.037 3.755 1.00 11.13 H new ATOM 0 HB2 LYS A 13 -9.432 -6.936 6.114 1.00 41.35 H new ATOM 0 HB3 LYS A 13 -10.911 -6.097 5.691 1.00 41.35 H new ATOM 0 HG2 LYS A 13 -11.061 -7.305 3.575 1.00 63.25 H new ATOM 0 HG3 LYS A 13 -9.492 -8.042 3.836 1.00 63.25 H new ATOM 0 HD2 LYS A 13 -10.374 -9.168 5.884 1.00 0.11 H new ATOM 0 HD3 LYS A 13 -11.945 -8.450 5.594 1.00 0.11 H new ATOM 0 HE2 LYS A 13 -12.122 -9.629 3.434 1.00 61.33 H new ATOM 0 HE3 LYS A 13 -10.511 -10.289 3.636 1.00 61.33 H new ATOM 0 HZ1 LYS A 13 -12.197 -11.885 4.266 1.00 33.45 H new ATOM 0 HZ2 LYS A 13 -11.268 -11.457 5.621 1.00 33.45 H new ATOM 0 HZ3 LYS A 13 -12.829 -10.818 5.426 1.00 33.45 H new ATOM 209 N SER A 14 -7.664 -3.899 5.707 1.00 34.03 N ATOM 210 CA SER A 14 -7.289 -2.818 6.601 1.00 4.45 C ATOM 211 C SER A 14 -6.920 -1.566 5.818 1.00 15.14 C ATOM 212 O SER A 14 -6.555 -1.640 4.642 1.00 4.21 O ATOM 213 CB SER A 14 -6.126 -3.255 7.495 1.00 11.14 C ATOM 214 OG SER A 14 -5.094 -3.872 6.741 1.00 54.20 O ATOM 0 H SER A 14 -6.883 -4.317 5.202 1.00 34.03 H new ATOM 0 HA SER A 14 -8.146 -2.579 7.230 1.00 4.45 H new ATOM 0 HB2 SER A 14 -5.725 -2.389 8.022 1.00 11.14 H new ATOM 0 HB3 SER A 14 -6.489 -3.949 8.253 1.00 11.14 H new ATOM 0 HG SER A 14 -4.366 -4.138 7.340 1.00 54.20 H new ATOM 220 N LYS A 15 -7.023 -0.422 6.472 1.00 10.30 N ATOM 221 CA LYS A 15 -6.668 0.844 5.856 1.00 3.54 C ATOM 222 C LYS A 15 -5.373 1.374 6.447 1.00 51.23 C ATOM 223 O LYS A 15 -5.202 1.418 7.667 1.00 61.41 O ATOM 224 CB LYS A 15 -7.792 1.882 6.005 1.00 24.02 C ATOM 225 CG LYS A 15 -8.407 1.966 7.398 1.00 55.44 C ATOM 226 CD LYS A 15 -9.522 0.946 7.576 1.00 50.32 C ATOM 227 CE LYS A 15 -10.212 1.087 8.924 1.00 40.03 C ATOM 228 NZ LYS A 15 -11.416 0.220 9.014 1.00 2.22 N ATOM 0 H LYS A 15 -7.351 -0.344 7.435 1.00 10.30 H new ATOM 0 HA LYS A 15 -6.524 0.666 4.790 1.00 3.54 H new ATOM 0 HB2 LYS A 15 -7.399 2.863 5.737 1.00 24.02 H new ATOM 0 HB3 LYS A 15 -8.580 1.648 5.289 1.00 24.02 H new ATOM 0 HG2 LYS A 15 -7.635 1.798 8.149 1.00 55.44 H new ATOM 0 HG3 LYS A 15 -8.800 2.969 7.564 1.00 55.44 H new ATOM 0 HD2 LYS A 15 -10.255 1.067 6.779 1.00 50.32 H new ATOM 0 HD3 LYS A 15 -9.112 -0.060 7.482 1.00 50.32 H new ATOM 0 HE2 LYS A 15 -9.514 0.826 9.720 1.00 40.03 H new ATOM 0 HE3 LYS A 15 -10.499 2.127 9.080 1.00 40.03 H new ATOM 0 HZ1 LYS A 15 -11.862 0.341 9.946 1.00 2.22 H new ATOM 0 HZ2 LYS A 15 -12.092 0.486 8.270 1.00 2.22 H new ATOM 0 HZ3 LYS A 15 -11.138 -0.774 8.890 1.00 2.22 H new ATOM 242 N VAL A 16 -4.460 1.761 5.574 1.00 71.55 N ATOM 243 CA VAL A 16 -3.153 2.244 5.986 1.00 43.21 C ATOM 244 C VAL A 16 -2.850 3.590 5.356 1.00 4.23 C ATOM 245 O VAL A 16 -3.471 3.986 4.368 1.00 1.14 O ATOM 246 CB VAL A 16 -2.035 1.244 5.615 1.00 25.11 C ATOM 247 CG1 VAL A 16 -2.217 -0.064 6.366 1.00 73.22 C ATOM 248 CG2 VAL A 16 -2.000 0.996 4.113 1.00 61.44 C ATOM 0 H VAL A 16 -4.602 1.750 4.564 1.00 71.55 H new ATOM 0 HA VAL A 16 -3.181 2.350 7.070 1.00 43.21 H new ATOM 0 HB VAL A 16 -1.081 1.682 5.908 1.00 25.11 H new ATOM 0 HG11 VAL A 16 -1.420 -0.755 6.091 1.00 73.22 H new ATOM 0 HG12 VAL A 16 -2.180 0.124 7.439 1.00 73.22 H new ATOM 0 HG13 VAL A 16 -3.181 -0.501 6.107 1.00 73.22 H new ATOM 0 HG21 VAL A 16 -1.204 0.289 3.879 1.00 61.44 H new ATOM 0 HG22 VAL A 16 -2.957 0.586 3.790 1.00 61.44 H new ATOM 0 HG23 VAL A 16 -1.814 1.936 3.593 1.00 61.44 H new ATOM 258 N LYS A 17 -1.899 4.288 5.937 1.00 4.41 N ATOM 259 CA LYS A 17 -1.514 5.594 5.453 1.00 15.41 C ATOM 260 C LYS A 17 -0.107 5.545 4.902 1.00 42.20 C ATOM 261 O LYS A 17 0.778 4.917 5.486 1.00 24.24 O ATOM 262 CB LYS A 17 -1.610 6.612 6.579 1.00 63.40 C ATOM 263 CG LYS A 17 -1.274 8.042 6.186 1.00 64.40 C ATOM 264 CD LYS A 17 -2.203 8.548 5.099 1.00 41.41 C ATOM 265 CE LYS A 17 -2.655 9.978 5.356 1.00 63.05 C ATOM 266 NZ LYS A 17 -3.714 10.057 6.401 1.00 34.34 N ATOM 0 H LYS A 17 -1.375 3.969 6.752 1.00 4.41 H new ATOM 0 HA LYS A 17 -2.191 5.894 4.653 1.00 15.41 H new ATOM 0 HB2 LYS A 17 -2.623 6.591 6.982 1.00 63.40 H new ATOM 0 HB3 LYS A 17 -0.941 6.306 7.383 1.00 63.40 H new ATOM 0 HG2 LYS A 17 -1.348 8.689 7.060 1.00 64.40 H new ATOM 0 HG3 LYS A 17 -0.242 8.093 5.838 1.00 64.40 H new ATOM 0 HD2 LYS A 17 -1.696 8.496 4.135 1.00 41.41 H new ATOM 0 HD3 LYS A 17 -3.075 7.898 5.036 1.00 41.41 H new ATOM 0 HE2 LYS A 17 -1.798 10.578 5.664 1.00 63.05 H new ATOM 0 HE3 LYS A 17 -3.030 10.410 4.428 1.00 63.05 H new ATOM 0 HZ1 LYS A 17 -3.870 11.051 6.663 1.00 34.34 H new ATOM 0 HZ2 LYS A 17 -4.598 9.654 6.030 1.00 34.34 H new ATOM 0 HZ3 LYS A 17 -3.414 9.521 7.240 1.00 34.34 H new ATOM 280 N VAL A 18 0.088 6.213 3.785 1.00 31.05 N ATOM 281 CA VAL A 18 1.382 6.233 3.125 1.00 23.21 C ATOM 282 C VAL A 18 2.293 7.243 3.803 1.00 73.11 C ATOM 283 O VAL A 18 2.244 8.441 3.514 1.00 51.03 O ATOM 284 CB VAL A 18 1.273 6.554 1.614 1.00 55.53 C ATOM 285 CG1 VAL A 18 2.649 6.559 0.962 1.00 62.43 C ATOM 286 CG2 VAL A 18 0.358 5.557 0.917 1.00 15.01 C ATOM 0 H VAL A 18 -0.636 6.753 3.311 1.00 31.05 H new ATOM 0 HA VAL A 18 1.804 5.232 3.213 1.00 23.21 H new ATOM 0 HB VAL A 18 0.841 7.549 1.510 1.00 55.53 H new ATOM 0 HG11 VAL A 18 2.548 6.787 -0.099 1.00 62.43 H new ATOM 0 HG12 VAL A 18 3.274 7.315 1.437 1.00 62.43 H new ATOM 0 HG13 VAL A 18 3.111 5.579 1.080 1.00 62.43 H new ATOM 0 HG21 VAL A 18 0.295 5.801 -0.144 1.00 15.01 H new ATOM 0 HG22 VAL A 18 0.759 4.551 1.035 1.00 15.01 H new ATOM 0 HG23 VAL A 18 -0.637 5.605 1.360 1.00 15.01 H new ATOM 296 N ILE A 19 3.085 6.743 4.738 1.00 53.32 N ATOM 297 CA ILE A 19 4.026 7.563 5.481 1.00 31.12 C ATOM 298 C ILE A 19 5.136 8.043 4.565 1.00 64.42 C ATOM 299 O ILE A 19 5.414 9.237 4.475 1.00 31.51 O ATOM 300 CB ILE A 19 4.645 6.773 6.650 1.00 73.14 C ATOM 301 CG1 ILE A 19 3.553 6.046 7.438 1.00 25.40 C ATOM 302 CG2 ILE A 19 5.434 7.707 7.559 1.00 20.42 C ATOM 303 CD1 ILE A 19 4.093 5.151 8.531 1.00 42.44 C ATOM 0 H ILE A 19 3.093 5.758 5.002 1.00 53.32 H new ATOM 0 HA ILE A 19 3.481 8.418 5.881 1.00 31.12 H new ATOM 0 HB ILE A 19 5.330 6.027 6.246 1.00 73.14 H new ATOM 0 HG12 ILE A 19 2.883 6.783 7.881 1.00 25.40 H new ATOM 0 HG13 ILE A 19 2.957 5.447 6.750 1.00 25.40 H new ATOM 0 HG21 ILE A 19 5.866 7.136 8.381 1.00 20.42 H new ATOM 0 HG22 ILE A 19 6.232 8.182 6.988 1.00 20.42 H new ATOM 0 HG23 ILE A 19 4.769 8.473 7.959 1.00 20.42 H new ATOM 0 HD11 ILE A 19 3.264 4.668 9.048 1.00 42.44 H new ATOM 0 HD12 ILE A 19 4.740 4.391 8.093 1.00 42.44 H new ATOM 0 HD13 ILE A 19 4.665 5.748 9.241 1.00 42.44 H new ATOM 315 N GLY A 20 5.762 7.106 3.873 1.00 74.15 N ATOM 316 CA GLY A 20 6.824 7.466 2.975 1.00 4.13 C ATOM 317 C GLY A 20 7.030 6.468 1.869 1.00 72.20 C ATOM 318 O GLY A 20 7.049 5.256 2.090 1.00 52.54 O ATOM 0 H GLY A 20 5.552 6.109 3.920 1.00 74.15 H new ATOM 0 HA2 GLY A 20 6.608 8.441 2.539 1.00 4.13 H new ATOM 0 HA3 GLY A 20 7.750 7.568 3.541 1.00 4.13 H new ATOM 322 N ILE A 21 7.162 6.996 0.677 1.00 33.41 N ATOM 323 CA ILE A 21 7.579 6.231 -0.475 1.00 13.21 C ATOM 324 C ILE A 21 9.097 6.104 -0.419 1.00 0.11 C ATOM 325 O ILE A 21 9.747 6.904 0.251 1.00 44.31 O ATOM 326 CB ILE A 21 7.144 6.951 -1.767 1.00 3.13 C ATOM 327 CG1 ILE A 21 5.625 7.155 -1.773 1.00 74.34 C ATOM 328 CG2 ILE A 21 7.585 6.185 -3.011 1.00 52.33 C ATOM 329 CD1 ILE A 21 5.120 7.925 -2.976 1.00 2.12 C ATOM 0 H ILE A 21 6.981 7.980 0.476 1.00 33.41 H new ATOM 0 HA ILE A 21 7.119 5.243 -0.471 1.00 13.21 H new ATOM 0 HB ILE A 21 7.633 7.925 -1.789 1.00 3.13 H new ATOM 0 HG12 ILE A 21 5.136 6.181 -1.744 1.00 74.34 H new ATOM 0 HG13 ILE A 21 5.335 7.684 -0.865 1.00 74.34 H new ATOM 0 HG21 ILE A 21 7.261 6.722 -3.903 1.00 52.33 H new ATOM 0 HG22 ILE A 21 8.671 6.094 -3.016 1.00 52.33 H new ATOM 0 HG23 ILE A 21 7.138 5.191 -3.004 1.00 52.33 H new ATOM 0 HD11 ILE A 21 4.037 8.031 -2.912 1.00 2.12 H new ATOM 0 HD12 ILE A 21 5.580 8.913 -2.995 1.00 2.12 H new ATOM 0 HD13 ILE A 21 5.379 7.386 -3.888 1.00 2.12 H new ATOM 341 N VAL A 22 9.655 5.113 -1.087 1.00 50.33 N ATOM 342 CA VAL A 22 11.097 4.906 -1.088 1.00 4.31 C ATOM 343 C VAL A 22 11.706 5.460 -2.376 1.00 43.44 C ATOM 344 O VAL A 22 11.742 4.782 -3.404 1.00 32.33 O ATOM 345 CB VAL A 22 11.471 3.416 -0.924 1.00 31.11 C ATOM 346 CG1 VAL A 22 12.981 3.245 -0.869 1.00 13.44 C ATOM 347 CG2 VAL A 22 10.828 2.843 0.328 1.00 25.44 C ATOM 0 H VAL A 22 9.132 4.434 -1.640 1.00 50.33 H new ATOM 0 HA VAL A 22 11.504 5.442 -0.231 1.00 4.31 H new ATOM 0 HB VAL A 22 11.095 2.871 -1.790 1.00 31.11 H new ATOM 0 HG11 VAL A 22 13.224 2.189 -0.753 1.00 13.44 H new ATOM 0 HG12 VAL A 22 13.423 3.620 -1.792 1.00 13.44 H new ATOM 0 HG13 VAL A 22 13.380 3.804 -0.022 1.00 13.44 H new ATOM 0 HG21 VAL A 22 11.101 1.793 0.429 1.00 25.44 H new ATOM 0 HG22 VAL A 22 11.177 3.394 1.201 1.00 25.44 H new ATOM 0 HG23 VAL A 22 9.744 2.930 0.253 1.00 25.44 H new ATOM 357 N PRO A 23 12.123 6.744 -2.345 1.00 20.44 N ATOM 358 CA PRO A 23 12.610 7.465 -3.529 1.00 20.15 C ATOM 359 C PRO A 23 13.871 6.848 -4.128 1.00 51.30 C ATOM 360 O PRO A 23 14.404 5.864 -3.607 1.00 31.32 O ATOM 361 CB PRO A 23 12.903 8.875 -3.003 1.00 34.11 C ATOM 362 CG PRO A 23 13.099 8.708 -1.540 1.00 11.04 C ATOM 363 CD PRO A 23 12.195 7.582 -1.136 1.00 23.01 C ATOM 0 HA PRO A 23 11.878 7.439 -4.336 1.00 20.15 H new ATOM 0 HB2 PRO A 23 13.791 9.295 -3.475 1.00 34.11 H new ATOM 0 HB3 PRO A 23 12.078 9.555 -3.215 1.00 34.11 H new ATOM 0 HG2 PRO A 23 14.139 8.478 -1.308 1.00 11.04 H new ATOM 0 HG3 PRO A 23 12.848 9.623 -1.004 1.00 11.04 H new ATOM 0 HD2 PRO A 23 12.599 7.028 -0.288 1.00 23.01 H new ATOM 0 HD3 PRO A 23 11.211 7.945 -0.840 1.00 23.01 H new ATOM 371 N GLU A 24 14.338 7.449 -5.227 1.00 71.23 N ATOM 372 CA GLU A 24 15.469 6.936 -6.015 1.00 52.45 C ATOM 373 C GLU A 24 15.126 5.609 -6.704 1.00 52.54 C ATOM 374 O GLU A 24 15.812 5.191 -7.636 1.00 41.12 O ATOM 375 CB GLU A 24 16.718 6.768 -5.143 1.00 41.14 C ATOM 376 CG GLU A 24 18.019 6.789 -5.929 1.00 14.04 C ATOM 377 CD GLU A 24 19.234 6.572 -5.055 1.00 22.25 C ATOM 378 OE1 GLU A 24 19.694 7.545 -4.421 1.00 72.21 O ATOM 379 OE2 GLU A 24 19.744 5.432 -5.010 1.00 40.42 O ATOM 0 H GLU A 24 13.941 8.311 -5.599 1.00 71.23 H new ATOM 0 HA GLU A 24 15.679 7.675 -6.789 1.00 52.45 H new ATOM 0 HB2 GLU A 24 16.741 7.564 -4.399 1.00 41.14 H new ATOM 0 HB3 GLU A 24 16.647 5.826 -4.600 1.00 41.14 H new ATOM 0 HG2 GLU A 24 17.987 6.016 -6.697 1.00 14.04 H new ATOM 0 HG3 GLU A 24 18.113 7.746 -6.443 1.00 14.04 H new ATOM 386 N SER A 25 14.059 4.962 -6.256 1.00 72.33 N ATOM 387 CA SER A 25 13.607 3.719 -6.836 1.00 4.35 C ATOM 388 C SER A 25 12.962 3.956 -8.198 1.00 1.50 C ATOM 389 O SER A 25 12.565 5.079 -8.526 1.00 12.14 O ATOM 390 CB SER A 25 12.621 3.058 -5.881 1.00 42.41 C ATOM 391 OG SER A 25 13.278 2.152 -5.011 1.00 21.12 O ATOM 0 H SER A 25 13.486 5.290 -5.479 1.00 72.33 H new ATOM 0 HA SER A 25 14.462 3.061 -6.989 1.00 4.35 H new ATOM 0 HB2 SER A 25 12.110 3.822 -5.296 1.00 42.41 H new ATOM 0 HB3 SER A 25 11.857 2.529 -6.451 1.00 42.41 H new ATOM 0 HG SER A 25 12.897 2.228 -4.111 1.00 21.12 H new ATOM 397 N LYS A 26 12.850 2.893 -8.980 1.00 20.34 N ATOM 398 CA LYS A 26 12.333 2.982 -10.335 1.00 32.54 C ATOM 399 C LYS A 26 10.816 3.070 -10.324 1.00 23.33 C ATOM 400 O LYS A 26 10.228 3.923 -10.986 1.00 24.14 O ATOM 401 CB LYS A 26 12.769 1.761 -11.143 1.00 65.31 C ATOM 402 CG LYS A 26 14.267 1.507 -11.117 1.00 23.20 C ATOM 403 CD LYS A 26 15.043 2.671 -11.707 1.00 2.13 C ATOM 404 CE LYS A 26 16.539 2.398 -11.712 1.00 2.22 C ATOM 405 NZ LYS A 26 16.880 1.190 -12.508 1.00 41.11 N ATOM 0 H LYS A 26 13.114 1.950 -8.694 1.00 20.34 H new ATOM 0 HA LYS A 26 12.734 3.884 -10.797 1.00 32.54 H new ATOM 0 HB2 LYS A 26 12.255 0.880 -10.758 1.00 65.31 H new ATOM 0 HB3 LYS A 26 12.450 1.890 -12.177 1.00 65.31 H new ATOM 0 HG2 LYS A 26 14.590 1.337 -10.090 1.00 23.20 H new ATOM 0 HG3 LYS A 26 14.492 0.599 -11.676 1.00 23.20 H new ATOM 0 HD2 LYS A 26 14.703 2.857 -12.726 1.00 2.13 H new ATOM 0 HD3 LYS A 26 14.839 3.574 -11.132 1.00 2.13 H new ATOM 0 HE2 LYS A 26 17.064 3.262 -12.120 1.00 2.22 H new ATOM 0 HE3 LYS A 26 16.888 2.268 -10.687 1.00 2.22 H new ATOM 0 HZ1 LYS A 26 17.902 1.178 -12.701 1.00 41.11 H new ATOM 0 HZ2 LYS A 26 16.619 0.337 -11.974 1.00 41.11 H new ATOM 0 HZ3 LYS A 26 16.358 1.208 -13.408 1.00 41.11 H new ATOM 419 N VAL A 27 10.189 2.205 -9.530 1.00 50.43 N ATOM 420 CA VAL A 27 8.730 2.133 -9.478 1.00 12.44 C ATOM 421 C VAL A 27 8.152 3.394 -8.848 1.00 32.34 C ATOM 422 O VAL A 27 6.975 3.706 -9.019 1.00 23.31 O ATOM 423 CB VAL A 27 8.243 0.890 -8.701 1.00 44.42 C ATOM 424 CG1 VAL A 27 8.796 -0.381 -9.327 1.00 14.21 C ATOM 425 CG2 VAL A 27 8.621 0.978 -7.229 1.00 73.22 C ATOM 0 H VAL A 27 10.666 1.546 -8.915 1.00 50.43 H new ATOM 0 HA VAL A 27 8.376 2.049 -10.505 1.00 12.44 H new ATOM 0 HB VAL A 27 7.155 0.859 -8.762 1.00 44.42 H new ATOM 0 HG11 VAL A 27 8.442 -1.246 -8.766 1.00 14.21 H new ATOM 0 HG12 VAL A 27 8.457 -0.455 -10.360 1.00 14.21 H new ATOM 0 HG13 VAL A 27 9.885 -0.354 -9.304 1.00 14.21 H new ATOM 0 HG21 VAL A 27 8.265 0.089 -6.708 1.00 73.22 H new ATOM 0 HG22 VAL A 27 9.705 1.044 -7.135 1.00 73.22 H new ATOM 0 HG23 VAL A 27 8.164 1.864 -6.788 1.00 73.22 H new ATOM 435 N ARG A 28 9.011 4.123 -8.143 1.00 13.54 N ATOM 436 CA ARG A 28 8.645 5.376 -7.493 1.00 74.00 C ATOM 437 C ARG A 28 8.007 6.350 -8.484 1.00 22.14 C ATOM 438 O ARG A 28 7.097 7.099 -8.129 1.00 33.20 O ATOM 439 CB ARG A 28 9.899 5.976 -6.831 1.00 43.33 C ATOM 440 CG ARG A 28 9.851 7.473 -6.542 1.00 52.11 C ATOM 441 CD ARG A 28 10.413 8.284 -7.706 1.00 45.13 C ATOM 442 NE ARG A 28 11.683 7.734 -8.189 1.00 54.13 N ATOM 443 CZ ARG A 28 12.606 8.431 -8.854 1.00 31.43 C ATOM 444 NH1 ARG A 28 12.423 9.717 -9.118 1.00 31.44 N ATOM 445 NH2 ARG A 28 13.718 7.826 -9.261 1.00 3.24 N ATOM 0 H ARG A 28 9.987 3.859 -8.006 1.00 13.54 H new ATOM 0 HA ARG A 28 7.896 5.182 -6.725 1.00 74.00 H new ATOM 0 HB2 ARG A 28 10.077 5.450 -5.893 1.00 43.33 H new ATOM 0 HB3 ARG A 28 10.756 5.778 -7.475 1.00 43.33 H new ATOM 0 HG2 ARG A 28 8.821 7.775 -6.350 1.00 52.11 H new ATOM 0 HG3 ARG A 28 10.420 7.689 -5.638 1.00 52.11 H new ATOM 0 HD2 ARG A 28 9.690 8.299 -8.521 1.00 45.13 H new ATOM 0 HD3 ARG A 28 10.560 9.317 -7.392 1.00 45.13 H new ATOM 0 HE ARG A 28 11.874 6.749 -8.004 1.00 54.13 H new ATOM 0 HH11 ARG A 28 11.569 10.184 -8.812 1.00 31.44 H new ATOM 0 HH12 ARG A 28 13.136 10.240 -9.627 1.00 31.44 H new ATOM 0 HH21 ARG A 28 13.861 6.835 -9.064 1.00 3.24 H new ATOM 0 HH22 ARG A 28 14.428 8.353 -9.770 1.00 3.24 H new ATOM 459 N ARG A 29 8.470 6.316 -9.728 1.00 30.40 N ATOM 460 CA ARG A 29 7.942 7.196 -10.756 1.00 3.43 C ATOM 461 C ARG A 29 6.507 6.828 -11.107 1.00 21.52 C ATOM 462 O ARG A 29 5.657 7.702 -11.271 1.00 25.15 O ATOM 463 CB ARG A 29 8.806 7.135 -12.008 1.00 52.42 C ATOM 464 CG ARG A 29 10.173 7.770 -11.837 1.00 43.14 C ATOM 465 CD ARG A 29 10.957 7.757 -13.137 1.00 14.32 C ATOM 466 NE ARG A 29 12.290 8.330 -12.969 1.00 54.22 N ATOM 467 CZ ARG A 29 13.323 8.063 -13.765 1.00 51.02 C ATOM 468 NH1 ARG A 29 13.174 7.280 -14.825 1.00 31.12 N ATOM 469 NH2 ARG A 29 14.505 8.602 -13.504 1.00 30.40 N ATOM 0 H ARG A 29 9.209 5.689 -10.046 1.00 30.40 H new ATOM 0 HA ARG A 29 7.955 8.212 -10.361 1.00 3.43 H new ATOM 0 HB2 ARG A 29 8.933 6.093 -12.300 1.00 52.42 H new ATOM 0 HB3 ARG A 29 8.283 7.633 -12.824 1.00 52.42 H new ATOM 0 HG2 ARG A 29 10.058 8.797 -11.490 1.00 43.14 H new ATOM 0 HG3 ARG A 29 10.731 7.235 -11.069 1.00 43.14 H new ATOM 0 HD2 ARG A 29 11.044 6.733 -13.499 1.00 14.32 H new ATOM 0 HD3 ARG A 29 10.412 8.318 -13.896 1.00 14.32 H new ATOM 0 HE ARG A 29 12.439 8.975 -12.193 1.00 54.22 H new ATOM 0 HH11 ARG A 29 12.262 6.876 -15.037 1.00 31.12 H new ATOM 0 HH12 ARG A 29 13.972 7.082 -15.429 1.00 31.12 H new ATOM 0 HH21 ARG A 29 14.618 9.217 -12.698 1.00 30.40 H new ATOM 0 HH22 ARG A 29 15.301 8.402 -14.109 1.00 30.40 H new ATOM 483 N LYS A 30 6.238 5.532 -11.215 1.00 22.42 N ATOM 484 CA LYS A 30 4.912 5.066 -11.592 1.00 10.21 C ATOM 485 C LYS A 30 3.938 5.244 -10.435 1.00 3.33 C ATOM 486 O LYS A 30 2.762 5.516 -10.645 1.00 52.23 O ATOM 487 CB LYS A 30 4.955 3.602 -12.034 1.00 63.23 C ATOM 488 CG LYS A 30 3.843 3.243 -13.008 1.00 14.22 C ATOM 489 CD LYS A 30 3.990 1.832 -13.549 1.00 50.43 C ATOM 490 CE LYS A 30 3.012 1.573 -14.688 1.00 43.51 C ATOM 491 NZ LYS A 30 3.247 2.484 -15.845 1.00 71.21 N ATOM 0 H LYS A 30 6.917 4.790 -11.048 1.00 22.42 H new ATOM 0 HA LYS A 30 4.566 5.666 -12.434 1.00 10.21 H new ATOM 0 HB2 LYS A 30 5.919 3.397 -12.500 1.00 63.23 H new ATOM 0 HB3 LYS A 30 4.882 2.961 -11.156 1.00 63.23 H new ATOM 0 HG2 LYS A 30 2.879 3.341 -12.509 1.00 14.22 H new ATOM 0 HG3 LYS A 30 3.846 3.951 -13.837 1.00 14.22 H new ATOM 0 HD2 LYS A 30 5.010 1.679 -13.901 1.00 50.43 H new ATOM 0 HD3 LYS A 30 3.818 1.113 -12.748 1.00 50.43 H new ATOM 0 HE2 LYS A 30 3.105 0.538 -15.017 1.00 43.51 H new ATOM 0 HE3 LYS A 30 1.992 1.702 -14.326 1.00 43.51 H new ATOM 0 HZ1 LYS A 30 2.833 2.069 -16.704 1.00 71.21 H new ATOM 0 HZ2 LYS A 30 2.803 3.405 -15.657 1.00 71.21 H new ATOM 0 HZ3 LYS A 30 4.270 2.614 -15.982 1.00 71.21 H new ATOM 505 N ILE A 31 4.443 5.097 -9.217 1.00 20.31 N ATOM 506 CA ILE A 31 3.638 5.306 -8.015 1.00 51.21 C ATOM 507 C ILE A 31 3.090 6.734 -7.972 1.00 4.33 C ATOM 508 O ILE A 31 1.894 6.950 -7.756 1.00 34.24 O ATOM 509 CB ILE A 31 4.465 5.028 -6.740 1.00 20.14 C ATOM 510 CG1 ILE A 31 4.936 3.571 -6.723 1.00 24.51 C ATOM 511 CG2 ILE A 31 3.655 5.343 -5.490 1.00 13.41 C ATOM 512 CD1 ILE A 31 5.871 3.250 -5.578 1.00 23.05 C ATOM 0 H ILE A 31 5.411 4.833 -9.032 1.00 20.31 H new ATOM 0 HA ILE A 31 2.803 4.606 -8.051 1.00 51.21 H new ATOM 0 HB ILE A 31 5.340 5.678 -6.748 1.00 20.14 H new ATOM 0 HG12 ILE A 31 4.066 2.917 -6.665 1.00 24.51 H new ATOM 0 HG13 ILE A 31 5.439 3.349 -7.665 1.00 24.51 H new ATOM 0 HG21 ILE A 31 4.258 5.140 -4.605 1.00 13.41 H new ATOM 0 HG22 ILE A 31 3.366 6.394 -5.499 1.00 13.41 H new ATOM 0 HG23 ILE A 31 2.760 4.721 -5.470 1.00 13.41 H new ATOM 0 HD11 ILE A 31 6.163 2.201 -5.630 1.00 23.05 H new ATOM 0 HD12 ILE A 31 6.759 3.878 -5.647 1.00 23.05 H new ATOM 0 HD13 ILE A 31 5.365 3.439 -4.631 1.00 23.05 H new ATOM 524 N MET A 32 3.967 7.707 -8.204 1.00 15.22 N ATOM 525 CA MET A 32 3.562 9.109 -8.225 1.00 52.14 C ATOM 526 C MET A 32 2.680 9.396 -9.438 1.00 23.42 C ATOM 527 O MET A 32 1.834 10.291 -9.403 1.00 43.15 O ATOM 528 CB MET A 32 4.783 10.032 -8.232 1.00 43.14 C ATOM 529 CG MET A 32 5.613 9.962 -6.960 1.00 63.32 C ATOM 530 SD MET A 32 6.966 11.155 -6.948 1.00 23.03 S ATOM 531 CE MET A 32 7.735 10.774 -5.376 1.00 44.12 C ATOM 0 H MET A 32 4.960 7.551 -8.380 1.00 15.22 H new ATOM 0 HA MET A 32 2.988 9.305 -7.319 1.00 52.14 H new ATOM 0 HB2 MET A 32 5.416 9.776 -9.082 1.00 43.14 H new ATOM 0 HB3 MET A 32 4.450 11.059 -8.381 1.00 43.14 H new ATOM 0 HG2 MET A 32 4.968 10.141 -6.100 1.00 63.32 H new ATOM 0 HG3 MET A 32 6.019 8.956 -6.850 1.00 63.32 H new ATOM 0 HE1 MET A 32 8.355 11.613 -5.061 1.00 44.12 H new ATOM 0 HE2 MET A 32 6.963 10.593 -4.628 1.00 44.12 H new ATOM 0 HE3 MET A 32 8.355 9.884 -5.481 1.00 44.12 H new ATOM 541 N ASP A 33 2.891 8.633 -10.505 1.00 33.41 N ATOM 542 CA ASP A 33 2.073 8.735 -11.713 1.00 54.44 C ATOM 543 C ASP A 33 0.662 8.214 -11.447 1.00 71.32 C ATOM 544 O ASP A 33 -0.325 8.793 -11.903 1.00 51.24 O ATOM 545 CB ASP A 33 2.725 7.944 -12.853 1.00 62.42 C ATOM 546 CG ASP A 33 1.899 7.941 -14.123 1.00 32.20 C ATOM 547 OD1 ASP A 33 2.081 8.850 -14.959 1.00 71.32 O ATOM 548 OD2 ASP A 33 1.080 7.013 -14.304 1.00 11.23 O ATOM 0 H ASP A 33 3.628 7.930 -10.560 1.00 33.41 H new ATOM 0 HA ASP A 33 2.004 9.783 -12.003 1.00 54.44 H new ATOM 0 HB2 ASP A 33 3.706 8.368 -13.066 1.00 62.42 H new ATOM 0 HB3 ASP A 33 2.885 6.916 -12.529 1.00 62.42 H new ATOM 553 N MET A 34 0.586 7.118 -10.697 1.00 43.43 N ATOM 554 CA MET A 34 -0.688 6.527 -10.290 1.00 24.50 C ATOM 555 C MET A 34 -1.482 7.504 -9.432 1.00 65.35 C ATOM 556 O MET A 34 -2.711 7.550 -9.494 1.00 23.01 O ATOM 557 CB MET A 34 -0.446 5.230 -9.506 1.00 74.25 C ATOM 558 CG MET A 34 0.083 4.080 -10.350 1.00 4.30 C ATOM 559 SD MET A 34 0.497 2.632 -9.354 1.00 72.40 S ATOM 560 CE MET A 34 1.072 1.500 -10.618 1.00 34.42 C ATOM 0 H MET A 34 1.404 6.614 -10.354 1.00 43.43 H new ATOM 0 HA MET A 34 -1.262 6.301 -11.189 1.00 24.50 H new ATOM 0 HB2 MET A 34 0.262 5.431 -8.702 1.00 74.25 H new ATOM 0 HB3 MET A 34 -1.381 4.922 -9.038 1.00 74.25 H new ATOM 0 HG2 MET A 34 -0.664 3.805 -11.094 1.00 4.30 H new ATOM 0 HG3 MET A 34 0.968 4.409 -10.894 1.00 4.30 H new ATOM 0 HE1 MET A 34 0.582 0.535 -10.492 1.00 34.42 H new ATOM 0 HE2 MET A 34 0.834 1.902 -11.603 1.00 34.42 H new ATOM 0 HE3 MET A 34 2.151 1.373 -10.529 1.00 34.42 H new ATOM 570 N GLY A 35 -0.766 8.291 -8.644 1.00 62.50 N ATOM 571 CA GLY A 35 -1.408 9.264 -7.787 1.00 54.21 C ATOM 572 C GLY A 35 -1.170 8.981 -6.321 1.00 61.14 C ATOM 573 O GLY A 35 -1.892 9.484 -5.461 1.00 35.10 O ATOM 0 H GLY A 35 0.252 8.273 -8.583 1.00 62.50 H new ATOM 0 HA2 GLY A 35 -1.035 10.260 -8.028 1.00 54.21 H new ATOM 0 HA3 GLY A 35 -2.480 9.268 -7.985 1.00 54.21 H new ATOM 577 N ILE A 36 -0.161 8.171 -6.031 1.00 64.22 N ATOM 578 CA ILE A 36 0.177 7.851 -4.651 1.00 65.52 C ATOM 579 C ILE A 36 1.373 8.673 -4.194 1.00 51.01 C ATOM 580 O ILE A 36 2.417 8.699 -4.848 1.00 53.43 O ATOM 581 CB ILE A 36 0.496 6.353 -4.468 1.00 15.43 C ATOM 582 CG1 ILE A 36 -0.625 5.494 -5.057 1.00 62.35 C ATOM 583 CG2 ILE A 36 0.700 6.028 -2.992 1.00 34.10 C ATOM 584 CD1 ILE A 36 -0.315 4.010 -5.069 1.00 51.11 C ATOM 0 H ILE A 36 0.435 7.726 -6.729 1.00 64.22 H new ATOM 0 HA ILE A 36 -0.696 8.093 -4.045 1.00 65.52 H new ATOM 0 HB ILE A 36 1.420 6.127 -5.000 1.00 15.43 H new ATOM 0 HG12 ILE A 36 -1.537 5.661 -4.484 1.00 62.35 H new ATOM 0 HG13 ILE A 36 -0.824 5.823 -6.077 1.00 62.35 H new ATOM 0 HG21 ILE A 36 0.924 4.967 -2.881 1.00 34.10 H new ATOM 0 HG22 ILE A 36 1.530 6.617 -2.601 1.00 34.10 H new ATOM 0 HG23 ILE A 36 -0.208 6.267 -2.438 1.00 34.10 H new ATOM 0 HD11 ILE A 36 -1.155 3.466 -5.500 1.00 51.11 H new ATOM 0 HD12 ILE A 36 0.579 3.830 -5.666 1.00 51.11 H new ATOM 0 HD13 ILE A 36 -0.145 3.666 -4.049 1.00 51.11 H new ATOM 596 N VAL A 37 1.200 9.342 -3.074 1.00 3.34 N ATOM 597 CA VAL A 37 2.230 10.198 -2.502 1.00 33.13 C ATOM 598 C VAL A 37 2.206 10.101 -0.981 1.00 52.15 C ATOM 599 O VAL A 37 1.438 9.324 -0.411 1.00 43.50 O ATOM 600 CB VAL A 37 2.042 11.682 -2.910 1.00 41.02 C ATOM 601 CG1 VAL A 37 2.312 11.886 -4.394 1.00 53.23 C ATOM 602 CG2 VAL A 37 0.642 12.162 -2.553 1.00 51.32 C ATOM 0 H VAL A 37 0.339 9.311 -2.528 1.00 3.34 H new ATOM 0 HA VAL A 37 3.188 9.851 -2.890 1.00 33.13 H new ATOM 0 HB VAL A 37 2.767 12.275 -2.353 1.00 41.02 H new ATOM 0 HG11 VAL A 37 2.172 12.937 -4.648 1.00 53.23 H new ATOM 0 HG12 VAL A 37 3.336 11.591 -4.621 1.00 53.23 H new ATOM 0 HG13 VAL A 37 1.621 11.276 -4.977 1.00 53.23 H new ATOM 0 HG21 VAL A 37 0.529 13.206 -2.847 1.00 51.32 H new ATOM 0 HG22 VAL A 37 -0.096 11.555 -3.078 1.00 51.32 H new ATOM 0 HG23 VAL A 37 0.489 12.069 -1.478 1.00 51.32 H new ATOM 612 N ARG A 38 3.048 10.886 -0.324 1.00 71.35 N ATOM 613 CA ARG A 38 3.045 10.942 1.129 1.00 73.24 C ATOM 614 C ARG A 38 1.787 11.647 1.617 1.00 54.44 C ATOM 615 O ARG A 38 1.629 12.856 1.436 1.00 13.13 O ATOM 616 CB ARG A 38 4.294 11.654 1.654 1.00 12.42 C ATOM 617 CG ARG A 38 5.547 10.797 1.600 1.00 23.13 C ATOM 618 CD ARG A 38 6.776 11.563 2.068 1.00 34.42 C ATOM 619 NE ARG A 38 7.110 12.685 1.186 1.00 23.14 N ATOM 620 CZ ARG A 38 7.938 13.674 1.527 1.00 31.13 C ATOM 621 NH1 ARG A 38 8.451 13.725 2.750 1.00 54.43 N ATOM 622 NH2 ARG A 38 8.225 14.627 0.650 1.00 33.30 N ATOM 0 H ARG A 38 3.738 11.489 -0.772 1.00 71.35 H new ATOM 0 HA ARG A 38 3.054 9.922 1.514 1.00 73.24 H new ATOM 0 HB2 ARG A 38 4.458 12.560 1.071 1.00 12.42 H new ATOM 0 HB3 ARG A 38 4.120 11.964 2.684 1.00 12.42 H new ATOM 0 HG2 ARG A 38 5.410 9.913 2.223 1.00 23.13 H new ATOM 0 HG3 ARG A 38 5.704 10.446 0.580 1.00 23.13 H new ATOM 0 HD2 ARG A 38 6.604 11.938 3.077 1.00 34.42 H new ATOM 0 HD3 ARG A 38 7.626 10.882 2.121 1.00 34.42 H new ATOM 0 HE ARG A 38 6.685 12.711 0.259 1.00 23.14 H new ATOM 0 HH11 ARG A 38 8.213 13.006 3.433 1.00 54.43 H new ATOM 0 HH12 ARG A 38 9.084 14.483 3.006 1.00 54.43 H new ATOM 0 HH21 ARG A 38 7.813 14.603 -0.283 1.00 33.30 H new ATOM 0 HH22 ARG A 38 8.858 15.384 0.908 1.00 33.30 H new ATOM 636 N GLY A 39 0.890 10.880 2.214 1.00 44.01 N ATOM 637 CA GLY A 39 -0.376 11.419 2.655 1.00 43.33 C ATOM 638 C GLY A 39 -1.545 10.713 2.000 1.00 53.33 C ATOM 639 O GLY A 39 -2.699 10.926 2.374 1.00 1.15 O ATOM 0 H GLY A 39 1.019 9.886 2.402 1.00 44.01 H new ATOM 0 HA2 GLY A 39 -0.454 11.324 3.738 1.00 43.33 H new ATOM 0 HA3 GLY A 39 -0.418 12.483 2.424 1.00 43.33 H new ATOM 643 N THR A 40 -1.249 9.876 1.015 1.00 35.23 N ATOM 644 CA THR A 40 -2.272 9.048 0.397 1.00 42.43 C ATOM 645 C THR A 40 -2.661 7.923 1.344 1.00 42.10 C ATOM 646 O THR A 40 -1.850 7.468 2.153 1.00 31.52 O ATOM 647 CB THR A 40 -1.788 8.448 -0.937 1.00 31.40 C ATOM 648 OG1 THR A 40 -1.224 9.479 -1.752 1.00 74.20 O ATOM 649 CG2 THR A 40 -2.928 7.779 -1.695 1.00 12.53 C ATOM 0 H THR A 40 -0.313 9.754 0.629 1.00 35.23 H new ATOM 0 HA THR A 40 -3.135 9.682 0.191 1.00 42.43 H new ATOM 0 HB THR A 40 -1.036 7.692 -0.710 1.00 31.40 H new ATOM 0 HG1 THR A 40 -1.724 9.542 -2.593 1.00 74.20 H new ATOM 0 HG21 THR A 40 -2.550 7.367 -2.631 1.00 12.53 H new ATOM 0 HG22 THR A 40 -3.347 6.976 -1.088 1.00 12.53 H new ATOM 0 HG23 THR A 40 -3.703 8.514 -1.909 1.00 12.53 H new ATOM 657 N GLU A 41 -3.901 7.494 1.258 1.00 43.33 N ATOM 658 CA GLU A 41 -4.406 6.448 2.104 1.00 51.33 C ATOM 659 C GLU A 41 -4.777 5.238 1.271 1.00 33.44 C ATOM 660 O GLU A 41 -5.401 5.362 0.214 1.00 61.42 O ATOM 661 CB GLU A 41 -5.595 6.982 2.884 1.00 51.51 C ATOM 662 CG GLU A 41 -5.222 8.168 3.754 1.00 24.31 C ATOM 663 CD GLU A 41 -6.405 8.846 4.391 1.00 32.41 C ATOM 664 OE1 GLU A 41 -7.349 9.207 3.659 1.00 70.35 O ATOM 665 OE2 GLU A 41 -6.379 9.045 5.623 1.00 31.04 O ATOM 0 H GLU A 41 -4.584 7.864 0.597 1.00 43.33 H new ATOM 0 HA GLU A 41 -3.640 6.130 2.812 1.00 51.33 H new ATOM 0 HB2 GLU A 41 -6.381 7.276 2.189 1.00 51.51 H new ATOM 0 HB3 GLU A 41 -6.003 6.188 3.510 1.00 51.51 H new ATOM 0 HG2 GLU A 41 -4.541 7.833 4.537 1.00 24.31 H new ATOM 0 HG3 GLU A 41 -4.680 8.895 3.149 1.00 24.31 H new ATOM 672 N ILE A 42 -4.373 4.078 1.746 1.00 54.03 N ATOM 673 CA ILE A 42 -4.523 2.852 0.994 1.00 3.21 C ATOM 674 C ILE A 42 -5.411 1.867 1.740 1.00 70.05 C ATOM 675 O ILE A 42 -5.169 1.556 2.907 1.00 61.01 O ATOM 676 CB ILE A 42 -3.147 2.194 0.743 1.00 25.13 C ATOM 677 CG1 ILE A 42 -2.229 3.127 -0.057 1.00 13.41 C ATOM 678 CG2 ILE A 42 -3.311 0.862 0.028 1.00 1.04 C ATOM 679 CD1 ILE A 42 -2.749 3.472 -1.435 1.00 21.34 C ATOM 0 H ILE A 42 -3.934 3.960 2.659 1.00 54.03 H new ATOM 0 HA ILE A 42 -4.985 3.105 0.040 1.00 3.21 H new ATOM 0 HB ILE A 42 -2.681 2.010 1.711 1.00 25.13 H new ATOM 0 HG12 ILE A 42 -2.085 4.049 0.507 1.00 13.41 H new ATOM 0 HG13 ILE A 42 -1.250 2.658 -0.157 1.00 13.41 H new ATOM 0 HG21 ILE A 42 -2.331 0.416 -0.139 1.00 1.04 H new ATOM 0 HG22 ILE A 42 -3.915 0.192 0.640 1.00 1.04 H new ATOM 0 HG23 ILE A 42 -3.805 1.022 -0.930 1.00 1.04 H new ATOM 0 HD11 ILE A 42 -2.043 4.135 -1.935 1.00 21.34 H new ATOM 0 HD12 ILE A 42 -2.866 2.559 -2.019 1.00 21.34 H new ATOM 0 HD13 ILE A 42 -3.714 3.971 -1.345 1.00 21.34 H new ATOM 691 N TYR A 43 -6.448 1.388 1.075 1.00 74.01 N ATOM 692 CA TYR A 43 -7.270 0.337 1.638 1.00 22.05 C ATOM 693 C TYR A 43 -6.935 -0.973 0.942 1.00 4.13 C ATOM 694 O TYR A 43 -7.139 -1.109 -0.268 1.00 43.42 O ATOM 695 CB TYR A 43 -8.758 0.660 1.485 1.00 12.51 C ATOM 696 CG TYR A 43 -9.638 -0.083 2.466 1.00 72.12 C ATOM 697 CD1 TYR A 43 -9.994 -1.411 2.256 1.00 63.40 C ATOM 698 CD2 TYR A 43 -10.101 0.544 3.613 1.00 63.51 C ATOM 699 CE1 TYR A 43 -10.789 -2.087 3.162 1.00 2.25 C ATOM 700 CE2 TYR A 43 -10.892 -0.125 4.525 1.00 55.34 C ATOM 701 CZ TYR A 43 -11.235 -1.439 4.297 1.00 34.13 C ATOM 702 OH TYR A 43 -12.018 -2.110 5.208 1.00 41.14 O ATOM 0 H TYR A 43 -6.738 1.709 0.151 1.00 74.01 H new ATOM 0 HA TYR A 43 -7.062 0.252 2.705 1.00 22.05 H new ATOM 0 HB2 TYR A 43 -8.905 1.732 1.616 1.00 12.51 H new ATOM 0 HB3 TYR A 43 -9.072 0.417 0.470 1.00 12.51 H new ATOM 0 HD1 TYR A 43 -9.644 -1.922 1.371 1.00 63.40 H new ATOM 0 HD2 TYR A 43 -9.838 1.575 3.796 1.00 63.51 H new ATOM 0 HE1 TYR A 43 -11.060 -3.117 2.983 1.00 2.25 H new ATOM 0 HE2 TYR A 43 -11.240 0.380 5.414 1.00 55.34 H new ATOM 0 HH TYR A 43 -11.471 -2.765 5.690 1.00 41.14 H new ATOM 712 N ILE A 44 -6.402 -1.920 1.694 1.00 11.44 N ATOM 713 CA ILE A 44 -5.981 -3.191 1.125 1.00 15.45 C ATOM 714 C ILE A 44 -7.188 -4.051 0.777 1.00 55.55 C ATOM 715 O ILE A 44 -7.855 -4.593 1.660 1.00 3.13 O ATOM 716 CB ILE A 44 -5.051 -3.971 2.078 1.00 54.44 C ATOM 717 CG1 ILE A 44 -3.857 -3.104 2.489 1.00 2.14 C ATOM 718 CG2 ILE A 44 -4.569 -5.260 1.419 1.00 71.14 C ATOM 719 CD1 ILE A 44 -2.992 -2.663 1.328 1.00 44.24 C ATOM 0 H ILE A 44 -6.250 -1.834 2.699 1.00 11.44 H new ATOM 0 HA ILE A 44 -5.423 -2.962 0.217 1.00 15.45 H new ATOM 0 HB ILE A 44 -5.616 -4.231 2.973 1.00 54.44 H new ATOM 0 HG12 ILE A 44 -4.224 -2.221 3.012 1.00 2.14 H new ATOM 0 HG13 ILE A 44 -3.243 -3.661 3.197 1.00 2.14 H new ATOM 0 HG21 ILE A 44 -3.914 -5.797 2.106 1.00 71.14 H new ATOM 0 HG22 ILE A 44 -5.427 -5.885 1.172 1.00 71.14 H new ATOM 0 HG23 ILE A 44 -4.021 -5.020 0.508 1.00 71.14 H new ATOM 0 HD11 ILE A 44 -2.168 -2.053 1.699 1.00 44.24 H new ATOM 0 HD12 ILE A 44 -2.594 -3.540 0.818 1.00 44.24 H new ATOM 0 HD13 ILE A 44 -3.591 -2.078 0.630 1.00 44.24 H new ATOM 731 N GLU A 45 -7.465 -4.158 -0.514 1.00 65.13 N ATOM 732 CA GLU A 45 -8.597 -4.932 -1.003 1.00 1.43 C ATOM 733 C GLU A 45 -8.262 -6.421 -0.917 1.00 52.20 C ATOM 734 O GLU A 45 -9.116 -7.252 -0.603 1.00 72.24 O ATOM 735 CB GLU A 45 -8.913 -4.514 -2.449 1.00 42.33 C ATOM 736 CG GLU A 45 -10.360 -4.719 -2.884 1.00 32.11 C ATOM 737 CD GLU A 45 -10.725 -6.170 -3.115 1.00 73.00 C ATOM 738 OE1 GLU A 45 -10.209 -6.774 -4.081 1.00 32.34 O ATOM 739 OE2 GLU A 45 -11.533 -6.716 -2.338 1.00 63.53 O ATOM 0 H GLU A 45 -6.915 -3.713 -1.249 1.00 65.13 H new ATOM 0 HA GLU A 45 -9.479 -4.742 -0.392 1.00 1.43 H new ATOM 0 HB2 GLU A 45 -8.660 -3.460 -2.569 1.00 42.33 H new ATOM 0 HB3 GLU A 45 -8.265 -5.076 -3.122 1.00 42.33 H new ATOM 0 HG2 GLU A 45 -11.021 -4.304 -2.124 1.00 32.11 H new ATOM 0 HG3 GLU A 45 -10.537 -4.158 -3.802 1.00 32.11 H new ATOM 746 N GLY A 46 -7.005 -6.750 -1.184 1.00 61.33 N ATOM 747 CA GLY A 46 -6.560 -8.125 -1.079 1.00 61.13 C ATOM 748 C GLY A 46 -5.230 -8.355 -1.768 1.00 20.24 C ATOM 749 O GLY A 46 -4.637 -7.427 -2.318 1.00 23.24 O ATOM 0 H GLY A 46 -6.285 -6.088 -1.472 1.00 61.33 H new ATOM 0 HA2 GLY A 46 -6.473 -8.397 -0.027 1.00 61.13 H new ATOM 0 HA3 GLY A 46 -7.312 -8.782 -1.517 1.00 61.13 H new ATOM 753 N LYS A 47 -4.758 -9.591 -1.727 1.00 72.12 N ATOM 754 CA LYS A 47 -3.519 -9.971 -2.391 1.00 15.33 C ATOM 755 C LYS A 47 -3.777 -11.165 -3.301 1.00 1.12 C ATOM 756 O LYS A 47 -4.672 -11.972 -3.032 1.00 15.33 O ATOM 757 CB LYS A 47 -2.440 -10.310 -1.353 1.00 53.35 C ATOM 758 CG LYS A 47 -2.124 -9.165 -0.397 1.00 2.40 C ATOM 759 CD LYS A 47 -1.106 -9.567 0.661 1.00 41.14 C ATOM 760 CE LYS A 47 0.256 -9.856 0.052 1.00 41.14 C ATOM 761 NZ LYS A 47 1.267 -10.183 1.091 1.00 11.01 N ATOM 0 H LYS A 47 -5.220 -10.356 -1.235 1.00 72.12 H new ATOM 0 HA LYS A 47 -3.162 -9.135 -2.992 1.00 15.33 H new ATOM 0 HB2 LYS A 47 -2.765 -11.175 -0.774 1.00 53.35 H new ATOM 0 HB3 LYS A 47 -1.527 -10.599 -1.873 1.00 53.35 H new ATOM 0 HG2 LYS A 47 -1.742 -8.316 -0.963 1.00 2.40 H new ATOM 0 HG3 LYS A 47 -3.042 -8.836 0.090 1.00 2.40 H new ATOM 0 HD2 LYS A 47 -1.013 -8.769 1.398 1.00 41.14 H new ATOM 0 HD3 LYS A 47 -1.462 -10.450 1.191 1.00 41.14 H new ATOM 0 HE2 LYS A 47 0.172 -10.687 -0.648 1.00 41.14 H new ATOM 0 HE3 LYS A 47 0.590 -8.990 -0.520 1.00 41.14 H new ATOM 0 HZ1 LYS A 47 1.926 -10.898 0.721 1.00 11.01 H new ATOM 0 HZ2 LYS A 47 1.795 -9.324 1.344 1.00 11.01 H new ATOM 0 HZ3 LYS A 47 0.789 -10.557 1.935 1.00 11.01 H new ATOM 775 N ALA A 48 -3.004 -11.266 -4.377 1.00 2.24 N ATOM 776 CA ALA A 48 -3.162 -12.344 -5.349 1.00 12.34 C ATOM 777 C ALA A 48 -2.837 -13.702 -4.734 1.00 30.45 C ATOM 778 O ALA A 48 -2.272 -13.775 -3.641 1.00 73.44 O ATOM 779 CB ALA A 48 -2.282 -12.082 -6.562 1.00 54.21 C ATOM 0 H ALA A 48 -2.256 -10.609 -4.600 1.00 2.24 H new ATOM 0 HA ALA A 48 -4.205 -12.368 -5.664 1.00 12.34 H new ATOM 0 HB1 ALA A 48 -2.405 -12.891 -7.283 1.00 54.21 H new ATOM 0 HB2 ALA A 48 -2.570 -11.138 -7.023 1.00 54.21 H new ATOM 0 HB3 ALA A 48 -1.239 -12.030 -6.250 1.00 54.21 H new ATOM 785 N PRO A 49 -3.219 -14.804 -5.406 1.00 25.40 N ATOM 786 CA PRO A 49 -2.883 -16.160 -4.956 1.00 74.33 C ATOM 787 C PRO A 49 -1.378 -16.351 -4.782 1.00 3.44 C ATOM 788 O PRO A 49 -0.933 -17.104 -3.919 1.00 54.15 O ATOM 789 CB PRO A 49 -3.413 -17.058 -6.077 1.00 22.42 C ATOM 790 CG PRO A 49 -4.479 -16.255 -6.736 1.00 1.40 C ATOM 791 CD PRO A 49 -4.035 -14.825 -6.638 1.00 12.42 C ATOM 0 HA PRO A 49 -3.316 -16.384 -3.981 1.00 74.33 H new ATOM 0 HB2 PRO A 49 -2.623 -17.320 -6.781 1.00 22.42 H new ATOM 0 HB3 PRO A 49 -3.810 -17.993 -5.681 1.00 22.42 H new ATOM 0 HG2 PRO A 49 -4.607 -16.554 -7.776 1.00 1.40 H new ATOM 0 HG3 PRO A 49 -5.440 -16.401 -6.242 1.00 1.40 H new ATOM 0 HD2 PRO A 49 -3.454 -14.524 -7.510 1.00 12.42 H new ATOM 0 HD3 PRO A 49 -4.884 -14.144 -6.570 1.00 12.42 H new ATOM 799 N MET A 50 -0.602 -15.652 -5.604 1.00 33.54 N ATOM 800 CA MET A 50 0.854 -15.714 -5.525 1.00 3.34 C ATOM 801 C MET A 50 1.370 -14.711 -4.501 1.00 43.31 C ATOM 802 O MET A 50 2.558 -14.666 -4.198 1.00 44.23 O ATOM 803 CB MET A 50 1.497 -15.412 -6.889 1.00 43.01 C ATOM 804 CG MET A 50 0.946 -16.230 -8.047 1.00 71.21 C ATOM 805 SD MET A 50 -0.681 -15.669 -8.587 1.00 53.23 S ATOM 806 CE MET A 50 -0.984 -16.789 -9.950 1.00 50.03 C ATOM 0 H MET A 50 -0.958 -15.035 -6.334 1.00 33.54 H new ATOM 0 HA MET A 50 1.125 -16.725 -5.222 1.00 3.34 H new ATOM 0 HB2 MET A 50 1.362 -14.354 -7.113 1.00 43.01 H new ATOM 0 HB3 MET A 50 2.570 -15.588 -6.816 1.00 43.01 H new ATOM 0 HG2 MET A 50 1.640 -16.178 -8.886 1.00 71.21 H new ATOM 0 HG3 MET A 50 0.884 -17.277 -7.749 1.00 71.21 H new ATOM 0 HE1 MET A 50 -1.956 -16.570 -10.392 1.00 50.03 H new ATOM 0 HE2 MET A 50 -0.206 -16.664 -10.703 1.00 50.03 H new ATOM 0 HE3 MET A 50 -0.975 -17.816 -9.586 1.00 50.03 H new ATOM 816 N GLY A 51 0.463 -13.912 -3.965 1.00 4.23 N ATOM 817 CA GLY A 51 0.844 -12.840 -3.075 1.00 34.11 C ATOM 818 C GLY A 51 0.834 -11.506 -3.789 1.00 33.43 C ATOM 819 O GLY A 51 0.490 -10.483 -3.205 1.00 34.04 O ATOM 0 H GLY A 51 -0.540 -13.989 -4.133 1.00 4.23 H new ATOM 0 HA2 GLY A 51 0.159 -12.807 -2.227 1.00 34.11 H new ATOM 0 HA3 GLY A 51 1.839 -13.033 -2.674 1.00 34.11 H new ATOM 823 N ASP A 52 1.197 -11.536 -5.064 1.00 11.21 N ATOM 824 CA ASP A 52 1.229 -10.360 -5.901 1.00 31.24 C ATOM 825 C ASP A 52 0.657 -10.711 -7.271 1.00 23.53 C ATOM 826 O ASP A 52 0.718 -11.870 -7.691 1.00 75.03 O ATOM 827 CB ASP A 52 2.658 -9.832 -6.034 1.00 54.31 C ATOM 828 CG ASP A 52 3.561 -10.711 -6.877 1.00 3.34 C ATOM 829 OD1 ASP A 52 4.140 -11.671 -6.331 1.00 54.23 O ATOM 830 OD2 ASP A 52 3.719 -10.417 -8.085 1.00 51.23 O ATOM 0 H ASP A 52 1.479 -12.390 -5.545 1.00 11.21 H new ATOM 0 HA ASP A 52 0.626 -9.575 -5.446 1.00 31.24 H new ATOM 0 HB2 ASP A 52 2.627 -8.834 -6.472 1.00 54.31 H new ATOM 0 HB3 ASP A 52 3.092 -9.731 -5.039 1.00 54.31 H new ATOM 835 N PRO A 53 0.077 -9.734 -7.983 1.00 73.53 N ATOM 836 CA PRO A 53 0.052 -8.330 -7.559 1.00 52.10 C ATOM 837 C PRO A 53 -0.894 -8.073 -6.387 1.00 1.12 C ATOM 838 O PRO A 53 -1.636 -8.959 -5.955 1.00 13.11 O ATOM 839 CB PRO A 53 -0.439 -7.604 -8.807 1.00 52.13 C ATOM 840 CG PRO A 53 -1.289 -8.604 -9.504 1.00 35.32 C ATOM 841 CD PRO A 53 -0.632 -9.934 -9.260 1.00 34.21 C ATOM 0 HA PRO A 53 1.027 -8.000 -7.200 1.00 52.10 H new ATOM 0 HB2 PRO A 53 -1.007 -6.710 -8.549 1.00 52.13 H new ATOM 0 HB3 PRO A 53 0.393 -7.283 -9.434 1.00 52.13 H new ATOM 0 HG2 PRO A 53 -2.307 -8.592 -9.115 1.00 35.32 H new ATOM 0 HG3 PRO A 53 -1.353 -8.388 -10.571 1.00 35.32 H new ATOM 0 HD2 PRO A 53 -1.365 -10.738 -9.191 1.00 34.21 H new ATOM 0 HD3 PRO A 53 0.055 -10.197 -10.064 1.00 34.21 H new ATOM 849 N ILE A 54 -0.851 -6.856 -5.878 1.00 72.05 N ATOM 850 CA ILE A 54 -1.688 -6.468 -4.758 1.00 1.00 C ATOM 851 C ILE A 54 -2.932 -5.755 -5.281 1.00 54.40 C ATOM 852 O ILE A 54 -2.879 -5.085 -6.317 1.00 41.42 O ATOM 853 CB ILE A 54 -0.936 -5.525 -3.784 1.00 73.43 C ATOM 854 CG1 ILE A 54 0.481 -6.043 -3.504 1.00 34.25 C ATOM 855 CG2 ILE A 54 -1.707 -5.371 -2.477 1.00 22.54 C ATOM 856 CD1 ILE A 54 0.523 -7.372 -2.781 1.00 20.12 C ATOM 0 H ILE A 54 -0.242 -6.115 -6.225 1.00 72.05 H new ATOM 0 HA ILE A 54 -1.964 -7.371 -4.214 1.00 1.00 H new ATOM 0 HB ILE A 54 -0.858 -4.547 -4.260 1.00 73.43 H new ATOM 0 HG12 ILE A 54 1.014 -6.139 -4.450 1.00 34.25 H new ATOM 0 HG13 ILE A 54 1.016 -5.302 -2.910 1.00 34.25 H new ATOM 0 HG21 ILE A 54 -1.161 -4.705 -1.809 1.00 22.54 H new ATOM 0 HG22 ILE A 54 -2.692 -4.951 -2.683 1.00 22.54 H new ATOM 0 HG23 ILE A 54 -1.820 -6.347 -2.004 1.00 22.54 H new ATOM 0 HD11 ILE A 54 1.560 -7.667 -2.622 1.00 20.12 H new ATOM 0 HD12 ILE A 54 0.021 -7.278 -1.818 1.00 20.12 H new ATOM 0 HD13 ILE A 54 0.019 -8.129 -3.382 1.00 20.12 H new ATOM 868 N ALA A 55 -4.045 -5.918 -4.586 1.00 61.51 N ATOM 869 CA ALA A 55 -5.260 -5.195 -4.915 1.00 43.21 C ATOM 870 C ALA A 55 -5.483 -4.093 -3.890 1.00 45.21 C ATOM 871 O ALA A 55 -5.749 -4.369 -2.719 1.00 53.24 O ATOM 872 CB ALA A 55 -6.457 -6.138 -4.969 1.00 21.44 C ATOM 0 H ALA A 55 -4.132 -6.547 -3.788 1.00 61.51 H new ATOM 0 HA ALA A 55 -5.152 -4.747 -5.903 1.00 43.21 H new ATOM 0 HB1 ALA A 55 -7.355 -5.572 -5.217 1.00 21.44 H new ATOM 0 HB2 ALA A 55 -6.286 -6.900 -5.730 1.00 21.44 H new ATOM 0 HB3 ALA A 55 -6.587 -6.617 -3.999 1.00 21.44 H new ATOM 878 N LEU A 56 -5.344 -2.852 -4.319 1.00 65.35 N ATOM 879 CA LEU A 56 -5.441 -1.723 -3.411 1.00 53.31 C ATOM 880 C LEU A 56 -6.539 -0.783 -3.858 1.00 1.31 C ATOM 881 O LEU A 56 -6.766 -0.619 -5.051 1.00 40.50 O ATOM 882 CB LEU A 56 -4.133 -0.920 -3.370 1.00 20.10 C ATOM 883 CG LEU A 56 -2.843 -1.702 -3.120 1.00 14.12 C ATOM 884 CD1 LEU A 56 -2.393 -2.436 -4.371 1.00 51.30 C ATOM 885 CD2 LEU A 56 -1.753 -0.761 -2.649 1.00 51.01 C ATOM 0 H LEU A 56 -5.164 -2.600 -5.291 1.00 65.35 H new ATOM 0 HA LEU A 56 -5.654 -2.129 -2.422 1.00 53.31 H new ATOM 0 HB2 LEU A 56 -4.030 -0.392 -4.318 1.00 20.10 H new ATOM 0 HB3 LEU A 56 -4.225 -0.162 -2.592 1.00 20.10 H new ATOM 0 HG LEU A 56 -3.040 -2.444 -2.347 1.00 14.12 H new ATOM 0 HD11 LEU A 56 -1.474 -2.982 -4.161 1.00 51.30 H new ATOM 0 HD12 LEU A 56 -3.169 -3.136 -4.681 1.00 51.30 H new ATOM 0 HD13 LEU A 56 -2.213 -1.717 -5.170 1.00 51.30 H new ATOM 0 HD21 LEU A 56 -0.837 -1.325 -2.473 1.00 51.01 H new ATOM 0 HD22 LEU A 56 -1.572 -0.003 -3.411 1.00 51.01 H new ATOM 0 HD23 LEU A 56 -2.065 -0.277 -1.723 1.00 51.01 H new ATOM 897 N ARG A 57 -7.224 -0.180 -2.910 1.00 63.43 N ATOM 898 CA ARG A 57 -8.077 0.946 -3.211 1.00 14.54 C ATOM 899 C ARG A 57 -7.338 2.215 -2.844 1.00 42.11 C ATOM 900 O ARG A 57 -7.141 2.517 -1.665 1.00 1.43 O ATOM 901 CB ARG A 57 -9.397 0.871 -2.458 1.00 10.33 C ATOM 902 CG ARG A 57 -10.238 -0.341 -2.806 1.00 23.30 C ATOM 903 CD ARG A 57 -11.579 -0.268 -2.114 1.00 5.20 C ATOM 904 NE ARG A 57 -12.270 -1.554 -2.115 1.00 1.54 N ATOM 905 CZ ARG A 57 -12.742 -2.145 -1.017 1.00 43.30 C ATOM 906 NH1 ARG A 57 -12.642 -1.544 0.162 1.00 2.53 N ATOM 907 NH2 ARG A 57 -13.335 -3.328 -1.099 1.00 3.41 N ATOM 0 H ARG A 57 -7.206 -0.451 -1.927 1.00 63.43 H new ATOM 0 HA ARG A 57 -8.315 0.935 -4.275 1.00 14.54 H new ATOM 0 HB2 ARG A 57 -9.193 0.863 -1.387 1.00 10.33 H new ATOM 0 HB3 ARG A 57 -9.974 1.772 -2.666 1.00 10.33 H new ATOM 0 HG2 ARG A 57 -10.381 -0.395 -3.885 1.00 23.30 H new ATOM 0 HG3 ARG A 57 -9.717 -1.251 -2.508 1.00 23.30 H new ATOM 0 HD2 ARG A 57 -11.438 0.066 -1.086 1.00 5.20 H new ATOM 0 HD3 ARG A 57 -12.201 0.478 -2.609 1.00 5.20 H new ATOM 0 HE ARG A 57 -12.399 -2.028 -3.009 1.00 1.54 H new ATOM 0 HH11 ARG A 57 -12.203 -0.626 0.231 1.00 2.53 H new ATOM 0 HH12 ARG A 57 -13.005 -2.000 0.999 1.00 2.53 H new ATOM 0 HH21 ARG A 57 -13.431 -3.789 -2.004 1.00 3.41 H new ATOM 0 HH22 ARG A 57 -13.695 -3.777 -0.257 1.00 3.41 H new ATOM 921 N LEU A 58 -6.919 2.940 -3.855 1.00 32.43 N ATOM 922 CA LEU A 58 -6.074 4.099 -3.663 1.00 21.51 C ATOM 923 C LEU A 58 -6.725 5.341 -4.233 1.00 73.55 C ATOM 924 O LEU A 58 -7.297 5.315 -5.322 1.00 71.41 O ATOM 925 CB LEU A 58 -4.691 3.859 -4.281 1.00 23.53 C ATOM 926 CG LEU A 58 -4.676 3.267 -5.697 1.00 2.20 C ATOM 927 CD1 LEU A 58 -4.742 4.361 -6.754 1.00 71.04 C ATOM 928 CD2 LEU A 58 -3.440 2.408 -5.899 1.00 32.31 C ATOM 0 H LEU A 58 -7.152 2.746 -4.829 1.00 32.43 H new ATOM 0 HA LEU A 58 -5.942 4.260 -2.593 1.00 21.51 H new ATOM 0 HB2 LEU A 58 -4.155 4.808 -4.300 1.00 23.53 H new ATOM 0 HB3 LEU A 58 -4.133 3.191 -3.624 1.00 23.53 H new ATOM 0 HG LEU A 58 -5.561 2.640 -5.808 1.00 2.20 H new ATOM 0 HD11 LEU A 58 -4.730 3.910 -7.746 1.00 71.04 H new ATOM 0 HD12 LEU A 58 -5.660 4.934 -6.628 1.00 71.04 H new ATOM 0 HD13 LEU A 58 -3.883 5.023 -6.646 1.00 71.04 H new ATOM 0 HD21 LEU A 58 -3.444 1.996 -6.908 1.00 32.31 H new ATOM 0 HD22 LEU A 58 -2.547 3.017 -5.760 1.00 32.31 H new ATOM 0 HD23 LEU A 58 -3.440 1.594 -5.174 1.00 32.31 H new ATOM 940 N ARG A 59 -6.685 6.411 -3.451 1.00 54.13 N ATOM 941 CA ARG A 59 -7.228 7.706 -3.861 1.00 74.41 C ATOM 942 C ARG A 59 -8.750 7.627 -4.043 1.00 63.15 C ATOM 943 O ARG A 59 -9.390 8.582 -4.491 1.00 52.04 O ATOM 944 CB ARG A 59 -6.553 8.157 -5.159 1.00 50.40 C ATOM 945 CG ARG A 59 -6.585 9.652 -5.399 1.00 65.11 C ATOM 946 CD ARG A 59 -5.928 9.988 -6.722 1.00 12.55 C ATOM 947 NE ARG A 59 -5.733 11.421 -6.910 1.00 41.03 N ATOM 948 CZ ARG A 59 -5.303 11.949 -8.053 1.00 10.01 C ATOM 949 NH1 ARG A 59 -5.150 11.177 -9.122 1.00 31.12 N ATOM 950 NH2 ARG A 59 -5.047 13.246 -8.140 1.00 65.25 N ATOM 0 H ARG A 59 -6.277 6.410 -2.516 1.00 54.13 H new ATOM 0 HA ARG A 59 -7.023 8.438 -3.079 1.00 74.41 H new ATOM 0 HB2 ARG A 59 -5.514 7.826 -5.147 1.00 50.40 H new ATOM 0 HB3 ARG A 59 -7.037 7.657 -5.998 1.00 50.40 H new ATOM 0 HG2 ARG A 59 -7.616 10.005 -5.398 1.00 65.11 H new ATOM 0 HG3 ARG A 59 -6.070 10.168 -4.589 1.00 65.11 H new ATOM 0 HD2 ARG A 59 -4.963 9.484 -6.781 1.00 12.55 H new ATOM 0 HD3 ARG A 59 -6.541 9.600 -7.535 1.00 12.55 H new ATOM 0 HE ARG A 59 -5.935 12.047 -6.130 1.00 41.03 H new ATOM 0 HH11 ARG A 59 -5.362 10.181 -9.066 1.00 31.12 H new ATOM 0 HH12 ARG A 59 -4.820 11.580 -9.999 1.00 31.12 H new ATOM 0 HH21 ARG A 59 -5.179 13.848 -7.327 1.00 65.25 H new ATOM 0 HH22 ARG A 59 -4.718 13.643 -9.020 1.00 65.25 H new ATOM 964 N GLY A 60 -9.320 6.482 -3.689 1.00 64.34 N ATOM 965 CA GLY A 60 -10.745 6.286 -3.813 1.00 4.44 C ATOM 966 C GLY A 60 -11.102 5.140 -4.740 1.00 35.22 C ATOM 967 O GLY A 60 -12.209 4.608 -4.671 1.00 15.24 O ATOM 0 H GLY A 60 -8.812 5.681 -3.315 1.00 64.34 H new ATOM 0 HA2 GLY A 60 -11.168 6.095 -2.827 1.00 4.44 H new ATOM 0 HA3 GLY A 60 -11.202 7.203 -4.184 1.00 4.44 H new ATOM 971 N TYR A 61 -10.171 4.741 -5.601 1.00 62.34 N ATOM 972 CA TYR A 61 -10.448 3.686 -6.570 1.00 70.21 C ATOM 973 C TYR A 61 -9.409 2.580 -6.527 1.00 3.45 C ATOM 974 O TYR A 61 -8.245 2.809 -6.212 1.00 3.31 O ATOM 975 CB TYR A 61 -10.556 4.253 -7.989 1.00 71.12 C ATOM 976 CG TYR A 61 -9.565 5.357 -8.307 1.00 3.42 C ATOM 977 CD1 TYR A 61 -9.860 6.686 -8.021 1.00 61.41 C ATOM 978 CD2 TYR A 61 -8.342 5.073 -8.902 1.00 1.40 C ATOM 979 CE1 TYR A 61 -8.965 7.697 -8.316 1.00 3.05 C ATOM 980 CE2 TYR A 61 -7.439 6.080 -9.200 1.00 63.25 C ATOM 981 CZ TYR A 61 -7.758 7.391 -8.905 1.00 4.03 C ATOM 982 OH TYR A 61 -6.868 8.400 -9.204 1.00 11.14 O ATOM 0 H TYR A 61 -9.228 5.127 -5.648 1.00 62.34 H new ATOM 0 HA TYR A 61 -11.408 3.251 -6.291 1.00 70.21 H new ATOM 0 HB2 TYR A 61 -10.416 3.441 -8.702 1.00 71.12 H new ATOM 0 HB3 TYR A 61 -11.566 4.636 -8.137 1.00 71.12 H new ATOM 0 HD1 TYR A 61 -10.805 6.932 -7.560 1.00 61.41 H new ATOM 0 HD2 TYR A 61 -8.091 4.049 -9.136 1.00 1.40 H new ATOM 0 HE1 TYR A 61 -9.211 8.723 -8.086 1.00 3.05 H new ATOM 0 HE2 TYR A 61 -6.491 5.842 -9.660 1.00 63.25 H new ATOM 0 HH TYR A 61 -5.979 8.162 -8.867 1.00 11.14 H new ATOM 992 N SER A 62 -9.856 1.377 -6.836 1.00 40.35 N ATOM 993 CA SER A 62 -9.003 0.206 -6.842 1.00 50.52 C ATOM 994 C SER A 62 -8.008 0.228 -8.004 1.00 3.52 C ATOM 995 O SER A 62 -8.351 0.579 -9.134 1.00 3.22 O ATOM 996 CB SER A 62 -9.873 -1.040 -6.930 1.00 35.15 C ATOM 997 OG SER A 62 -11.076 -0.879 -6.197 1.00 32.31 O ATOM 0 H SER A 62 -10.825 1.185 -7.091 1.00 40.35 H new ATOM 0 HA SER A 62 -8.424 0.201 -5.919 1.00 50.52 H new ATOM 0 HB2 SER A 62 -10.106 -1.251 -7.974 1.00 35.15 H new ATOM 0 HB3 SER A 62 -9.322 -1.899 -6.546 1.00 35.15 H new ATOM 0 HG SER A 62 -11.616 -1.693 -6.272 1.00 32.31 H new ATOM 1003 N LEU A 63 -6.775 -0.154 -7.705 1.00 62.42 N ATOM 1004 CA LEU A 63 -5.724 -0.267 -8.703 1.00 64.03 C ATOM 1005 C LEU A 63 -4.739 -1.343 -8.256 1.00 44.24 C ATOM 1006 O LEU A 63 -4.552 -1.557 -7.057 1.00 23.10 O ATOM 1007 CB LEU A 63 -5.029 1.090 -8.892 1.00 65.02 C ATOM 1008 CG LEU A 63 -4.037 1.189 -10.059 1.00 41.22 C ATOM 1009 CD1 LEU A 63 -4.020 2.604 -10.616 1.00 44.02 C ATOM 1010 CD2 LEU A 63 -2.634 0.796 -9.616 1.00 61.24 C ATOM 0 H LEU A 63 -6.475 -0.395 -6.760 1.00 62.42 H new ATOM 0 HA LEU A 63 -6.146 -0.555 -9.666 1.00 64.03 H new ATOM 0 HB2 LEU A 63 -5.797 1.851 -9.030 1.00 65.02 H new ATOM 0 HB3 LEU A 63 -4.500 1.334 -7.971 1.00 65.02 H new ATOM 0 HG LEU A 63 -4.362 0.498 -10.837 1.00 41.22 H new ATOM 0 HD11 LEU A 63 -3.312 2.661 -11.443 1.00 44.02 H new ATOM 0 HD12 LEU A 63 -5.016 2.867 -10.972 1.00 44.02 H new ATOM 0 HD13 LEU A 63 -3.719 3.300 -9.833 1.00 44.02 H new ATOM 0 HD21 LEU A 63 -1.950 0.875 -10.461 1.00 61.24 H new ATOM 0 HD22 LEU A 63 -2.304 1.462 -8.819 1.00 61.24 H new ATOM 0 HD23 LEU A 63 -2.642 -0.231 -9.250 1.00 61.24 H new ATOM 1022 N SER A 64 -4.129 -2.029 -9.208 1.00 21.51 N ATOM 1023 CA SER A 64 -3.250 -3.143 -8.887 1.00 23.24 C ATOM 1024 C SER A 64 -1.808 -2.853 -9.289 1.00 72.44 C ATOM 1025 O SER A 64 -1.535 -2.399 -10.401 1.00 11.21 O ATOM 1026 CB SER A 64 -3.740 -4.418 -9.577 1.00 22.54 C ATOM 1027 OG SER A 64 -2.969 -5.544 -9.188 1.00 64.42 O ATOM 0 H SER A 64 -4.225 -1.836 -10.205 1.00 21.51 H new ATOM 0 HA SER A 64 -3.275 -3.285 -7.807 1.00 23.24 H new ATOM 0 HB2 SER A 64 -4.788 -4.589 -9.329 1.00 22.54 H new ATOM 0 HB3 SER A 64 -3.685 -4.293 -10.658 1.00 22.54 H new ATOM 0 HG SER A 64 -2.843 -5.534 -8.216 1.00 64.42 H new ATOM 1033 N LEU A 65 -0.896 -3.116 -8.362 1.00 30.15 N ATOM 1034 CA LEU A 65 0.535 -3.009 -8.611 1.00 62.14 C ATOM 1035 C LEU A 65 1.239 -4.244 -8.058 1.00 23.31 C ATOM 1036 O LEU A 65 0.652 -4.996 -7.275 1.00 22.50 O ATOM 1037 CB LEU A 65 1.123 -1.729 -7.995 1.00 51.52 C ATOM 1038 CG LEU A 65 0.643 -1.379 -6.581 1.00 11.40 C ATOM 1039 CD1 LEU A 65 1.725 -0.623 -5.829 1.00 12.32 C ATOM 1040 CD2 LEU A 65 -0.623 -0.536 -6.640 1.00 52.13 C ATOM 0 H LEU A 65 -1.129 -3.410 -7.414 1.00 30.15 H new ATOM 0 HA LEU A 65 0.695 -2.951 -9.688 1.00 62.14 H new ATOM 0 HB2 LEU A 65 2.209 -1.825 -7.975 1.00 51.52 H new ATOM 0 HB3 LEU A 65 0.889 -0.893 -8.654 1.00 51.52 H new ATOM 0 HG LEU A 65 0.425 -2.308 -6.055 1.00 11.40 H new ATOM 0 HD11 LEU A 65 1.370 -0.381 -4.827 1.00 12.32 H new ATOM 0 HD12 LEU A 65 2.619 -1.242 -5.758 1.00 12.32 H new ATOM 0 HD13 LEU A 65 1.963 0.298 -6.362 1.00 12.32 H new ATOM 0 HD21 LEU A 65 -0.949 -0.297 -5.628 1.00 52.13 H new ATOM 0 HD22 LEU A 65 -0.420 0.387 -7.183 1.00 52.13 H new ATOM 0 HD23 LEU A 65 -1.408 -1.093 -7.152 1.00 52.13 H new ATOM 1052 N ARG A 66 2.487 -4.456 -8.451 1.00 61.31 N ATOM 1053 CA ARG A 66 3.202 -5.673 -8.086 1.00 4.41 C ATOM 1054 C ARG A 66 3.850 -5.575 -6.709 1.00 72.12 C ATOM 1055 O ARG A 66 3.918 -4.501 -6.104 1.00 14.20 O ATOM 1056 CB ARG A 66 4.266 -6.011 -9.138 1.00 44.15 C ATOM 1057 CG ARG A 66 3.695 -6.613 -10.411 1.00 53.11 C ATOM 1058 CD ARG A 66 3.121 -7.993 -10.153 1.00 70.44 C ATOM 1059 NE ARG A 66 2.471 -8.554 -11.336 1.00 24.53 N ATOM 1060 CZ ARG A 66 2.126 -9.837 -11.453 1.00 44.34 C ATOM 1061 NH1 ARG A 66 2.413 -10.700 -10.482 1.00 1.34 N ATOM 1062 NH2 ARG A 66 1.493 -10.259 -12.542 1.00 32.01 N ATOM 0 H ARG A 66 3.025 -3.804 -9.021 1.00 61.31 H new ATOM 0 HA ARG A 66 2.462 -6.472 -8.047 1.00 4.41 H new ATOM 0 HB2 ARG A 66 4.816 -5.104 -9.390 1.00 44.15 H new ATOM 0 HB3 ARG A 66 4.983 -6.709 -8.706 1.00 44.15 H new ATOM 0 HG2 ARG A 66 2.917 -5.961 -10.808 1.00 53.11 H new ATOM 0 HG3 ARG A 66 4.476 -6.676 -11.169 1.00 53.11 H new ATOM 0 HD2 ARG A 66 3.919 -8.661 -9.829 1.00 70.44 H new ATOM 0 HD3 ARG A 66 2.400 -7.937 -9.337 1.00 70.44 H new ATOM 0 HE ARG A 66 2.270 -7.929 -12.116 1.00 24.53 H new ATOM 0 HH11 ARG A 66 2.899 -10.381 -9.644 1.00 1.34 H new ATOM 0 HH12 ARG A 66 2.147 -11.680 -10.576 1.00 1.34 H new ATOM 0 HH21 ARG A 66 1.270 -9.602 -13.290 1.00 32.01 H new ATOM 0 HH22 ARG A 66 1.230 -11.240 -12.631 1.00 32.01 H new ATOM 1076 N LYS A 67 4.322 -6.723 -6.233 1.00 15.21 N ATOM 1077 CA LYS A 67 5.002 -6.836 -4.945 1.00 60.31 C ATOM 1078 C LYS A 67 6.180 -5.868 -4.841 1.00 43.34 C ATOM 1079 O LYS A 67 6.451 -5.327 -3.770 1.00 4.34 O ATOM 1080 CB LYS A 67 5.495 -8.276 -4.763 1.00 52.35 C ATOM 1081 CG LYS A 67 6.185 -8.542 -3.436 1.00 40.44 C ATOM 1082 CD LYS A 67 6.783 -9.941 -3.402 1.00 32.01 C ATOM 1083 CE LYS A 67 5.712 -11.022 -3.431 1.00 33.14 C ATOM 1084 NZ LYS A 67 6.296 -12.369 -3.668 1.00 73.31 N ATOM 0 H LYS A 67 4.243 -7.608 -6.733 1.00 15.21 H new ATOM 0 HA LYS A 67 4.293 -6.577 -4.159 1.00 60.31 H new ATOM 0 HB2 LYS A 67 4.646 -8.952 -4.859 1.00 52.35 H new ATOM 0 HB3 LYS A 67 6.186 -8.515 -5.572 1.00 52.35 H new ATOM 0 HG2 LYS A 67 6.970 -7.803 -3.276 1.00 40.44 H new ATOM 0 HG3 LYS A 67 5.470 -8.429 -2.621 1.00 40.44 H new ATOM 0 HD2 LYS A 67 7.451 -10.070 -4.254 1.00 32.01 H new ATOM 0 HD3 LYS A 67 7.388 -10.055 -2.502 1.00 32.01 H new ATOM 0 HE2 LYS A 67 5.169 -11.022 -2.486 1.00 33.14 H new ATOM 0 HE3 LYS A 67 4.988 -10.796 -4.214 1.00 33.14 H new ATOM 0 HZ1 LYS A 67 5.536 -13.079 -3.681 1.00 73.31 H new ATOM 0 HZ2 LYS A 67 6.793 -12.376 -4.582 1.00 73.31 H new ATOM 0 HZ3 LYS A 67 6.968 -12.595 -2.907 1.00 73.31 H new ATOM 1098 N SER A 68 6.863 -5.642 -5.956 1.00 13.31 N ATOM 1099 CA SER A 68 8.052 -4.804 -5.969 1.00 24.23 C ATOM 1100 C SER A 68 7.692 -3.351 -5.647 1.00 12.25 C ATOM 1101 O SER A 68 8.350 -2.707 -4.826 1.00 62.33 O ATOM 1102 CB SER A 68 8.748 -4.900 -7.332 1.00 21.12 C ATOM 1103 OG SER A 68 10.069 -4.387 -7.280 1.00 63.43 O ATOM 0 H SER A 68 6.612 -6.030 -6.865 1.00 13.31 H new ATOM 0 HA SER A 68 8.739 -5.160 -5.201 1.00 24.23 H new ATOM 0 HB2 SER A 68 8.773 -5.940 -7.656 1.00 21.12 H new ATOM 0 HB3 SER A 68 8.172 -4.349 -8.075 1.00 21.12 H new ATOM 0 HG SER A 68 10.485 -4.465 -8.164 1.00 63.43 H new ATOM 1109 N GLU A 69 6.645 -2.846 -6.284 1.00 61.14 N ATOM 1110 CA GLU A 69 6.177 -1.488 -6.041 1.00 63.41 C ATOM 1111 C GLU A 69 5.706 -1.340 -4.600 1.00 74.01 C ATOM 1112 O GLU A 69 6.033 -0.366 -3.925 1.00 51.05 O ATOM 1113 CB GLU A 69 5.039 -1.115 -6.999 1.00 32.40 C ATOM 1114 CG GLU A 69 5.402 -1.194 -8.474 1.00 0.43 C ATOM 1115 CD GLU A 69 5.265 -2.592 -9.048 1.00 21.23 C ATOM 1116 OE1 GLU A 69 6.165 -3.431 -8.826 1.00 51.32 O ATOM 1117 OE2 GLU A 69 4.254 -2.856 -9.730 1.00 21.20 O ATOM 0 H GLU A 69 6.101 -3.360 -6.977 1.00 61.14 H new ATOM 0 HA GLU A 69 7.012 -0.811 -6.218 1.00 63.41 H new ATOM 0 HB2 GLU A 69 4.192 -1.775 -6.811 1.00 32.40 H new ATOM 0 HB3 GLU A 69 4.709 -0.101 -6.773 1.00 32.40 H new ATOM 0 HG2 GLU A 69 4.763 -0.513 -9.036 1.00 0.43 H new ATOM 0 HG3 GLU A 69 6.428 -0.852 -8.608 1.00 0.43 H new ATOM 1124 N ALA A 70 4.957 -2.330 -4.126 1.00 53.34 N ATOM 1125 CA ALA A 70 4.447 -2.329 -2.761 1.00 15.34 C ATOM 1126 C ALA A 70 5.581 -2.450 -1.746 1.00 35.11 C ATOM 1127 O ALA A 70 5.427 -2.098 -0.577 1.00 62.11 O ATOM 1128 CB ALA A 70 3.443 -3.456 -2.579 1.00 12.20 C ATOM 0 H ALA A 70 4.689 -3.149 -4.672 1.00 53.34 H new ATOM 0 HA ALA A 70 3.946 -1.377 -2.585 1.00 15.34 H new ATOM 0 HB1 ALA A 70 3.068 -3.447 -1.556 1.00 12.20 H new ATOM 0 HB2 ALA A 70 2.613 -3.319 -3.272 1.00 12.20 H new ATOM 0 HB3 ALA A 70 3.928 -4.411 -2.779 1.00 12.20 H new ATOM 1134 N LYS A 71 6.712 -2.976 -2.195 1.00 12.12 N ATOM 1135 CA LYS A 71 7.901 -3.085 -1.360 1.00 43.51 C ATOM 1136 C LYS A 71 8.570 -1.722 -1.184 1.00 62.41 C ATOM 1137 O LYS A 71 9.194 -1.453 -0.156 1.00 71.45 O ATOM 1138 CB LYS A 71 8.864 -4.125 -1.966 1.00 63.22 C ATOM 1139 CG LYS A 71 10.307 -4.046 -1.475 1.00 5.42 C ATOM 1140 CD LYS A 71 11.133 -3.132 -2.361 1.00 12.52 C ATOM 1141 CE LYS A 71 12.553 -2.973 -1.850 1.00 54.33 C ATOM 1142 NZ LYS A 71 13.327 -2.038 -2.704 1.00 52.44 N ATOM 0 H LYS A 71 6.832 -3.337 -3.141 1.00 12.12 H new ATOM 0 HA LYS A 71 7.613 -3.426 -0.366 1.00 43.51 H new ATOM 0 HB2 LYS A 71 8.479 -5.121 -1.750 1.00 63.22 H new ATOM 0 HB3 LYS A 71 8.860 -4.010 -3.050 1.00 63.22 H new ATOM 0 HG2 LYS A 71 10.326 -3.679 -0.449 1.00 5.42 H new ATOM 0 HG3 LYS A 71 10.747 -5.043 -1.465 1.00 5.42 H new ATOM 0 HD2 LYS A 71 11.156 -3.533 -3.374 1.00 12.52 H new ATOM 0 HD3 LYS A 71 10.656 -2.153 -2.416 1.00 12.52 H new ATOM 0 HE2 LYS A 71 12.535 -2.603 -0.825 1.00 54.33 H new ATOM 0 HE3 LYS A 71 13.046 -3.945 -1.830 1.00 54.33 H new ATOM 0 HZ1 LYS A 71 14.193 -1.749 -2.206 1.00 52.44 H new ATOM 0 HZ2 LYS A 71 13.581 -2.511 -3.595 1.00 52.44 H new ATOM 0 HZ3 LYS A 71 12.750 -1.198 -2.911 1.00 52.44 H new ATOM 1156 N ASP A 72 8.417 -0.853 -2.176 1.00 23.42 N ATOM 1157 CA ASP A 72 9.027 0.473 -2.128 1.00 11.20 C ATOM 1158 C ASP A 72 8.057 1.504 -1.557 1.00 73.02 C ATOM 1159 O ASP A 72 8.228 2.710 -1.749 1.00 4.23 O ATOM 1160 CB ASP A 72 9.511 0.903 -3.515 1.00 43.11 C ATOM 1161 CG ASP A 72 10.908 0.398 -3.831 1.00 13.30 C ATOM 1162 OD1 ASP A 72 11.691 0.157 -2.887 1.00 34.25 O ATOM 1163 OD2 ASP A 72 11.237 0.238 -5.029 1.00 72.05 O ATOM 0 H ASP A 72 7.878 -1.040 -3.021 1.00 23.42 H new ATOM 0 HA ASP A 72 9.891 0.416 -1.466 1.00 11.20 H new ATOM 0 HB2 ASP A 72 8.816 0.533 -4.269 1.00 43.11 H new ATOM 0 HB3 ASP A 72 9.500 1.991 -3.578 1.00 43.11 H new ATOM 1168 N ILE A 73 7.047 1.023 -0.847 1.00 23.01 N ATOM 1169 CA ILE A 73 6.114 1.894 -0.145 1.00 1.04 C ATOM 1170 C ILE A 73 6.043 1.490 1.323 1.00 40.35 C ATOM 1171 O ILE A 73 5.653 0.367 1.640 1.00 63.13 O ATOM 1172 CB ILE A 73 4.695 1.835 -0.759 1.00 42.33 C ATOM 1173 CG1 ILE A 73 4.729 2.202 -2.245 1.00 30.02 C ATOM 1174 CG2 ILE A 73 3.752 2.767 -0.009 1.00 53.03 C ATOM 1175 CD1 ILE A 73 3.389 2.055 -2.936 1.00 44.52 C ATOM 0 H ILE A 73 6.851 0.028 -0.741 1.00 23.01 H new ATOM 0 HA ILE A 73 6.481 2.916 -0.241 1.00 1.04 H new ATOM 0 HB ILE A 73 4.327 0.813 -0.666 1.00 42.33 H new ATOM 0 HG12 ILE A 73 5.071 3.232 -2.349 1.00 30.02 H new ATOM 0 HG13 ILE A 73 5.460 1.571 -2.750 1.00 30.02 H new ATOM 0 HG21 ILE A 73 2.758 2.714 -0.453 1.00 53.03 H new ATOM 0 HG22 ILE A 73 3.698 2.466 1.037 1.00 53.03 H new ATOM 0 HG23 ILE A 73 4.124 3.790 -0.073 1.00 53.03 H new ATOM 0 HD11 ILE A 73 3.489 2.332 -3.986 1.00 44.52 H new ATOM 0 HD12 ILE A 73 3.054 1.020 -2.864 1.00 44.52 H new ATOM 0 HD13 ILE A 73 2.659 2.707 -2.456 1.00 44.52 H new ATOM 1187 N LEU A 74 6.435 2.394 2.210 1.00 40.31 N ATOM 1188 CA LEU A 74 6.436 2.111 3.637 1.00 3.32 C ATOM 1189 C LEU A 74 5.240 2.783 4.309 1.00 52.41 C ATOM 1190 O LEU A 74 5.085 4.008 4.245 1.00 52.13 O ATOM 1191 CB LEU A 74 7.738 2.608 4.267 1.00 60.25 C ATOM 1192 CG LEU A 74 9.020 2.014 3.678 1.00 73.41 C ATOM 1193 CD1 LEU A 74 10.242 2.590 4.373 1.00 30.43 C ATOM 1194 CD2 LEU A 74 9.009 0.498 3.787 1.00 20.03 C ATOM 0 H LEU A 74 6.757 3.331 1.965 1.00 40.31 H new ATOM 0 HA LEU A 74 6.360 1.033 3.782 1.00 3.32 H new ATOM 0 HB2 LEU A 74 7.780 3.692 4.166 1.00 60.25 H new ATOM 0 HB3 LEU A 74 7.713 2.388 5.334 1.00 60.25 H new ATOM 0 HG LEU A 74 9.067 2.280 2.622 1.00 73.41 H new ATOM 0 HD11 LEU A 74 11.144 2.156 3.941 1.00 30.43 H new ATOM 0 HD12 LEU A 74 10.260 3.672 4.240 1.00 30.43 H new ATOM 0 HD13 LEU A 74 10.200 2.356 5.437 1.00 30.43 H new ATOM 0 HD21 LEU A 74 9.929 0.096 3.363 1.00 20.03 H new ATOM 0 HD22 LEU A 74 8.937 0.209 4.836 1.00 20.03 H new ATOM 0 HD23 LEU A 74 8.154 0.100 3.241 1.00 20.03 H new ATOM 1206 N VAL A 75 4.397 1.985 4.952 1.00 41.24 N ATOM 1207 CA VAL A 75 3.157 2.489 5.544 1.00 2.11 C ATOM 1208 C VAL A 75 2.912 1.901 6.934 1.00 64.04 C ATOM 1209 O VAL A 75 3.637 1.012 7.383 1.00 41.34 O ATOM 1210 CB VAL A 75 1.938 2.148 4.656 1.00 22.34 C ATOM 1211 CG1 VAL A 75 2.050 2.808 3.291 1.00 31.43 C ATOM 1212 CG2 VAL A 75 1.788 0.641 4.509 1.00 72.01 C ATOM 0 H VAL A 75 4.547 0.984 5.079 1.00 41.24 H new ATOM 0 HA VAL A 75 3.272 3.570 5.623 1.00 2.11 H new ATOM 0 HB VAL A 75 1.047 2.540 5.146 1.00 22.34 H new ATOM 0 HG11 VAL A 75 1.179 2.550 2.689 1.00 31.43 H new ATOM 0 HG12 VAL A 75 2.099 3.890 3.413 1.00 31.43 H new ATOM 0 HG13 VAL A 75 2.953 2.458 2.791 1.00 31.43 H new ATOM 0 HG21 VAL A 75 0.925 0.421 3.881 1.00 72.01 H new ATOM 0 HG22 VAL A 75 2.686 0.229 4.049 1.00 72.01 H new ATOM 0 HG23 VAL A 75 1.645 0.192 5.492 1.00 72.01 H new ATOM 1222 N GLU A 76 1.890 2.420 7.607 1.00 62.23 N ATOM 1223 CA GLU A 76 1.407 1.850 8.856 1.00 72.11 C ATOM 1224 C GLU A 76 -0.115 1.985 8.892 1.00 60.53 C ATOM 1225 O GLU A 76 -0.679 2.835 8.195 1.00 1.22 O ATOM 1226 CB GLU A 76 2.053 2.531 10.077 1.00 43.23 C ATOM 1227 CG GLU A 76 1.715 1.852 11.402 1.00 34.22 C ATOM 1228 CD GLU A 76 2.538 2.357 12.576 1.00 75.42 C ATOM 1229 OE1 GLU A 76 3.631 1.800 12.823 1.00 45.10 O ATOM 1230 OE2 GLU A 76 2.087 3.290 13.275 1.00 14.44 O ATOM 0 H GLU A 76 1.375 3.246 7.301 1.00 62.23 H new ATOM 0 HA GLU A 76 1.686 0.797 8.904 1.00 72.11 H new ATOM 0 HB2 GLU A 76 3.135 2.540 9.948 1.00 43.23 H new ATOM 0 HB3 GLU A 76 1.728 3.571 10.117 1.00 43.23 H new ATOM 0 HG2 GLU A 76 0.658 2.005 11.619 1.00 34.22 H new ATOM 0 HG3 GLU A 76 1.867 0.778 11.299 1.00 34.22 H new ATOM 1237 N VAL A 77 -0.769 1.137 9.675 1.00 32.15 N ATOM 1238 CA VAL A 77 -2.225 1.092 9.724 1.00 44.10 C ATOM 1239 C VAL A 77 -2.811 2.397 10.281 1.00 54.03 C ATOM 1240 O VAL A 77 -2.202 3.057 11.123 1.00 50.23 O ATOM 1241 CB VAL A 77 -2.710 -0.119 10.562 1.00 0.44 C ATOM 1242 CG1 VAL A 77 -2.329 0.035 12.029 1.00 44.21 C ATOM 1243 CG2 VAL A 77 -4.212 -0.328 10.404 1.00 3.23 C ATOM 0 H VAL A 77 -0.309 0.465 10.290 1.00 32.15 H new ATOM 0 HA VAL A 77 -2.583 0.975 8.701 1.00 44.10 H new ATOM 0 HB VAL A 77 -2.206 -1.008 10.182 1.00 0.44 H new ATOM 0 HG11 VAL A 77 -2.683 -0.830 12.590 1.00 44.21 H new ATOM 0 HG12 VAL A 77 -1.245 0.106 12.118 1.00 44.21 H new ATOM 0 HG13 VAL A 77 -2.786 0.939 12.431 1.00 44.21 H new ATOM 0 HG21 VAL A 77 -4.525 -1.184 11.002 1.00 3.23 H new ATOM 0 HG22 VAL A 77 -4.741 0.564 10.741 1.00 3.23 H new ATOM 0 HG23 VAL A 77 -4.445 -0.514 9.356 1.00 3.23 H new ATOM 1253 N LEU A 78 -3.998 2.759 9.796 1.00 34.15 N ATOM 1254 CA LEU A 78 -4.663 3.999 10.192 1.00 42.32 C ATOM 1255 C LEU A 78 -5.274 3.911 11.588 1.00 54.41 C ATOM 1256 O LEU A 78 -5.948 4.840 12.039 1.00 43.22 O ATOM 1257 CB LEU A 78 -5.755 4.360 9.186 1.00 54.24 C ATOM 1258 CG LEU A 78 -5.269 5.065 7.918 1.00 63.15 C ATOM 1259 CD1 LEU A 78 -6.424 5.279 6.951 1.00 63.44 C ATOM 1260 CD2 LEU A 78 -4.619 6.395 8.270 1.00 45.15 C ATOM 0 H LEU A 78 -4.523 2.204 9.121 1.00 34.15 H new ATOM 0 HA LEU A 78 -3.898 4.775 10.209 1.00 42.32 H new ATOM 0 HB2 LEU A 78 -6.276 3.447 8.897 1.00 54.24 H new ATOM 0 HB3 LEU A 78 -6.485 5.001 9.681 1.00 54.24 H new ATOM 0 HG LEU A 78 -4.526 4.432 7.433 1.00 63.15 H new ATOM 0 HD11 LEU A 78 -6.060 5.782 6.055 1.00 63.44 H new ATOM 0 HD12 LEU A 78 -6.853 4.315 6.677 1.00 63.44 H new ATOM 0 HD13 LEU A 78 -7.188 5.894 7.427 1.00 63.44 H new ATOM 0 HD21 LEU A 78 -4.278 6.886 7.358 1.00 45.15 H new ATOM 0 HD22 LEU A 78 -5.345 7.032 8.775 1.00 45.15 H new ATOM 0 HD23 LEU A 78 -3.768 6.221 8.929 1.00 45.15 H new