USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1052 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 108 ASN : amide:sc= -0.438 K(o=-0.89,f=-2.5) USER MOD Set 1.2: A 113 THR OG1 : rot 66:sc= -0.449 USER MOD Set 2.1: A 88 CYS SG : rot -112:sc= 1.01 USER MOD Set 2.2: A 137 TYR OH : rot -54:sc= 0.389 USER MOD Set 3.1: A 61 GLN : amide:sc= 0.263 K(o=1.4,f=-0.51) USER MOD Set 3.2: A 104 ASN : amide:sc= 1.1 K(o=1.4,f=-0.5) USER MOD Set 4.1: A 6 LYS NZ :NH3+ -161:sc= 1.21 (180deg=0) USER MOD Set 4.2: A 50 TYR OH : rot 30:sc= 0.698 USER MOD Set 5.1: A 40 ASN : amide:sc= 0 X(o=2.1,f=2.1) USER MOD Set 5.2: A 43 THR OG1 : rot 180:sc= 0.979 USER MOD Set 5.3: A 45 THR OG1 : rot 109:sc= 1.16 USER MOD Set 6.1: A 5 GLN : amide:sc= 0.174 K(o=-0.12,f=-5.2) USER MOD Set 6.2: A 35 THR OG1 : rot -90:sc= -0.294 USER MOD Set 7.1: A 16 THR OG1 : rot 99:sc= 0.458 USER MOD Set 7.2: A 20 CYS SG : rot -111:sc= 1.13 USER MOD Set 7.3: A 69 TYR OH : rot -38:sc= 0.889 USER MOD Set 8.1: A 10 MET CE :methyl 167:sc= -0.436 (180deg=-0.717) USER MOD Set 8.2: A 73 THR OG1 : rot 163:sc= -0.285 USER MOD Single : A 11 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.9) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 178:sc= -2.95 (180deg=-3.01) USER MOD Single : A 17 CYS SG : rot -50:sc= -1.6 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 1.24 (180deg=1.13) USER MOD Single : A 31 MET CE :methyl -178:sc=-0.00863 (180deg=-0.00967) USER MOD Single : A 38 ASN : amide:sc= 1.1 K(o=1.1,f=-0.16) USER MOD Single : A 47 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.85) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 1.19 (180deg=0.974) USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0.919 (180deg=0.906) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -115:sc= -0.0197 (180deg=-2.35!) USER MOD Single : A 90 ASN : amide:sc= -0.0845 K(o=-0.084,f=-0.59) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= 1.17 (180deg=-0.377!) USER MOD Single : A 97 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot 30:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -1.46 K(o=-1.5,f=-9.5!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 126 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 129 LYS NZ :NH3+ -159:sc= 0.346 (180deg=-0.731) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 146:sc= 1.15 (180deg=0.727) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 172:sc= -0.593 (180deg=-1.41) USER MOD ----------------------------------------------------------------- ATOM 65 N GLN A 5 1.116 -15.213 4.604 1.00 0.84 N ATOM 66 CA GLN A 5 0.149 -14.325 3.981 1.00 0.76 C ATOM 67 C GLN A 5 0.206 -12.949 4.632 1.00 0.82 C ATOM 68 O GLN A 5 0.366 -12.841 5.847 1.00 1.10 O ATOM 69 CB GLN A 5 -1.273 -14.904 4.036 1.00 0.87 C ATOM 70 CG GLN A 5 -1.365 -16.368 3.585 1.00 1.02 C ATOM 71 CD GLN A 5 -0.632 -16.618 2.272 1.00 0.93 C ATOM 72 OE1 GLN A 5 -0.533 -15.737 1.427 1.00 2.05 O ATOM 73 NE2 GLN A 5 -0.069 -17.806 2.113 1.00 1.50 N ATOM 0 HA GLN A 5 0.412 -14.225 2.928 1.00 0.76 H new ATOM 0 HB2 GLN A 5 -1.648 -14.824 5.056 1.00 0.87 H new ATOM 0 HB3 GLN A 5 -1.926 -14.298 3.408 1.00 0.87 H new ATOM 0 HG2 GLN A 5 -0.947 -17.011 4.360 1.00 1.02 H new ATOM 0 HG3 GLN A 5 -2.413 -16.645 3.472 1.00 1.02 H new ATOM 0 HE21 GLN A 5 -0.170 -18.519 2.835 1.00 1.50 H new ATOM 0 HE22 GLN A 5 0.466 -18.008 1.268 1.00 1.50 H new ATOM 82 N LYS A 6 0.069 -11.911 3.808 1.00 0.69 N ATOM 83 CA LYS A 6 -0.108 -10.535 4.252 1.00 0.72 C ATOM 84 C LYS A 6 -1.551 -10.126 3.974 1.00 0.75 C ATOM 85 O LYS A 6 -2.196 -10.754 3.136 1.00 0.97 O ATOM 86 CB LYS A 6 0.836 -9.631 3.449 1.00 0.83 C ATOM 87 CG LYS A 6 0.308 -9.482 2.013 1.00 1.09 C ATOM 88 CD LYS A 6 1.419 -9.304 0.993 1.00 1.57 C ATOM 89 CE LYS A 6 1.961 -7.875 1.037 1.00 1.12 C ATOM 90 NZ LYS A 6 2.555 -7.476 -0.251 1.00 2.33 N ATOM 0 H LYS A 6 0.079 -12.008 2.793 1.00 0.69 H new ATOM 0 HA LYS A 6 0.112 -10.443 5.316 1.00 0.72 H new ATOM 0 HB2 LYS A 6 0.910 -8.653 3.924 1.00 0.83 H new ATOM 0 HB3 LYS A 6 1.840 -10.056 3.436 1.00 0.83 H new ATOM 0 HG2 LYS A 6 -0.279 -10.363 1.754 1.00 1.09 H new ATOM 0 HG3 LYS A 6 -0.364 -8.625 1.965 1.00 1.09 H new ATOM 0 HD2 LYS A 6 2.224 -10.011 1.195 1.00 1.57 H new ATOM 0 HD3 LYS A 6 1.043 -9.526 -0.006 1.00 1.57 H new ATOM 0 HE2 LYS A 6 1.155 -7.188 1.294 1.00 1.12 H new ATOM 0 HE3 LYS A 6 2.711 -7.795 1.824 1.00 1.12 H new ATOM 0 HZ1 LYS A 6 3.183 -6.660 -0.106 1.00 2.33 H new ATOM 0 HZ2 LYS A 6 3.103 -8.269 -0.641 1.00 2.33 H new ATOM 0 HZ3 LYS A 6 1.799 -7.217 -0.916 1.00 2.33 H new ATOM 104 N GLU A 7 -1.974 -8.997 4.537 1.00 0.77 N ATOM 105 CA GLU A 7 -3.190 -8.294 4.184 1.00 0.74 C ATOM 106 C GLU A 7 -2.804 -6.909 3.672 1.00 0.77 C ATOM 107 O GLU A 7 -1.897 -6.283 4.218 1.00 1.07 O ATOM 108 CB GLU A 7 -4.100 -8.168 5.414 1.00 0.82 C ATOM 109 CG GLU A 7 -4.307 -9.507 6.142 1.00 1.52 C ATOM 110 CD GLU A 7 -3.290 -9.722 7.259 1.00 1.74 C ATOM 111 OE1 GLU A 7 -3.586 -9.261 8.381 1.00 2.28 O ATOM 112 OE2 GLU A 7 -2.233 -10.323 6.972 1.00 2.70 O ATOM 0 H GLU A 7 -1.453 -8.534 5.281 1.00 0.77 H new ATOM 0 HA GLU A 7 -3.733 -8.842 3.413 1.00 0.74 H new ATOM 0 HB2 GLU A 7 -3.668 -7.446 6.107 1.00 0.82 H new ATOM 0 HB3 GLU A 7 -5.068 -7.774 5.105 1.00 0.82 H new ATOM 0 HG2 GLU A 7 -5.314 -9.540 6.559 1.00 1.52 H new ATOM 0 HG3 GLU A 7 -4.233 -10.324 5.424 1.00 1.52 H new ATOM 119 N ILE A 8 -3.486 -6.427 2.634 1.00 0.58 N ATOM 120 CA ILE A 8 -3.437 -5.017 2.244 1.00 0.59 C ATOM 121 C ILE A 8 -4.872 -4.546 1.999 1.00 0.54 C ATOM 122 O ILE A 8 -5.587 -5.178 1.221 1.00 0.56 O ATOM 123 CB ILE A 8 -2.495 -4.811 1.039 1.00 0.67 C ATOM 124 CG1 ILE A 8 -2.565 -3.381 0.477 1.00 0.74 C ATOM 125 CG2 ILE A 8 -2.757 -5.833 -0.068 1.00 0.91 C ATOM 126 CD1 ILE A 8 -1.454 -3.083 -0.535 1.00 2.06 C ATOM 0 H ILE A 8 -4.086 -7.000 2.041 1.00 0.58 H new ATOM 0 HA ILE A 8 -3.012 -4.403 3.038 1.00 0.59 H new ATOM 0 HB ILE A 8 -1.484 -4.967 1.416 1.00 0.67 H new ATOM 0 HG12 ILE A 8 -3.534 -3.230 0.000 1.00 0.74 H new ATOM 0 HG13 ILE A 8 -2.501 -2.669 1.300 1.00 0.74 H new ATOM 0 HG21 ILE A 8 -2.073 -5.654 -0.898 1.00 0.91 H new ATOM 0 HG22 ILE A 8 -2.600 -6.839 0.321 1.00 0.91 H new ATOM 0 HG23 ILE A 8 -3.785 -5.736 -0.417 1.00 0.91 H new ATOM 0 HD11 ILE A 8 -1.556 -2.060 -0.896 1.00 2.06 H new ATOM 0 HD12 ILE A 8 -0.483 -3.204 -0.055 1.00 2.06 H new ATOM 0 HD13 ILE A 8 -1.532 -3.774 -1.375 1.00 2.06 H new ATOM 138 N ALA A 9 -5.294 -3.471 2.681 1.00 0.58 N ATOM 139 CA ALA A 9 -6.606 -2.865 2.553 1.00 0.58 C ATOM 140 C ALA A 9 -6.401 -1.502 1.907 1.00 0.61 C ATOM 141 O ALA A 9 -5.551 -0.744 2.362 1.00 0.75 O ATOM 142 CB ALA A 9 -7.245 -2.721 3.936 1.00 0.64 C ATOM 0 H ALA A 9 -4.702 -2.991 3.358 1.00 0.58 H new ATOM 0 HA ALA A 9 -7.272 -3.478 1.945 1.00 0.58 H new ATOM 0 HB1 ALA A 9 -8.230 -2.266 3.836 1.00 0.64 H new ATOM 0 HB2 ALA A 9 -7.345 -3.705 4.395 1.00 0.64 H new ATOM 0 HB3 ALA A 9 -6.616 -2.090 4.564 1.00 0.64 H new ATOM 148 N MET A 10 -7.117 -1.209 0.824 1.00 0.53 N ATOM 149 CA MET A 10 -7.036 0.061 0.111 1.00 0.57 C ATOM 150 C MET A 10 -8.421 0.415 -0.435 1.00 0.55 C ATOM 151 O MET A 10 -9.272 -0.461 -0.553 1.00 0.59 O ATOM 152 CB MET A 10 -6.018 -0.048 -1.033 1.00 0.57 C ATOM 153 CG MET A 10 -4.561 -0.042 -0.544 1.00 0.71 C ATOM 154 SD MET A 10 -3.299 -0.194 -1.834 1.00 1.43 S ATOM 155 CE MET A 10 -3.809 1.126 -2.949 1.00 2.08 C ATOM 0 H MET A 10 -7.783 -1.862 0.410 1.00 0.53 H new ATOM 0 HA MET A 10 -6.707 0.847 0.790 1.00 0.57 H new ATOM 0 HB2 MET A 10 -6.204 -0.966 -1.591 1.00 0.57 H new ATOM 0 HB3 MET A 10 -6.167 0.781 -1.724 1.00 0.57 H new ATOM 0 HG2 MET A 10 -4.385 0.884 0.004 1.00 0.71 H new ATOM 0 HG3 MET A 10 -4.431 -0.861 0.164 1.00 0.71 H new ATOM 0 HE1 MET A 10 -3.015 1.320 -3.670 1.00 2.08 H new ATOM 0 HE2 MET A 10 -4.714 0.827 -3.477 1.00 2.08 H new ATOM 0 HE3 MET A 10 -4.007 2.031 -2.375 1.00 2.08 H new ATOM 165 N GLN A 11 -8.660 1.684 -0.781 1.00 0.53 N ATOM 166 CA GLN A 11 -9.882 2.090 -1.464 1.00 0.52 C ATOM 167 C GLN A 11 -9.687 2.015 -2.981 1.00 0.50 C ATOM 168 O GLN A 11 -8.603 2.299 -3.494 1.00 0.67 O ATOM 169 CB GLN A 11 -10.311 3.491 -1.014 1.00 0.62 C ATOM 170 CG GLN A 11 -11.105 3.456 0.297 1.00 0.99 C ATOM 171 CD GLN A 11 -11.570 4.850 0.704 1.00 1.24 C ATOM 172 OE1 GLN A 11 -11.417 5.818 -0.034 1.00 1.79 O ATOM 173 NE2 GLN A 11 -12.131 4.974 1.901 1.00 1.68 N ATOM 0 H GLN A 11 -8.013 2.451 -0.595 1.00 0.53 H new ATOM 0 HA GLN A 11 -10.685 1.403 -1.196 1.00 0.52 H new ATOM 0 HB2 GLN A 11 -9.428 4.117 -0.886 1.00 0.62 H new ATOM 0 HB3 GLN A 11 -10.918 3.952 -1.793 1.00 0.62 H new ATOM 0 HG2 GLN A 11 -11.969 2.801 0.183 1.00 0.99 H new ATOM 0 HG3 GLN A 11 -10.486 3.032 1.088 1.00 0.99 H new ATOM 0 HE21 GLN A 11 -12.248 4.154 2.497 1.00 1.68 H new ATOM 0 HE22 GLN A 11 -12.445 5.889 2.225 1.00 1.68 H new ATOM 182 N VAL A 12 -10.749 1.631 -3.694 1.00 0.43 N ATOM 183 CA VAL A 12 -10.802 1.474 -5.135 1.00 0.41 C ATOM 184 C VAL A 12 -12.071 2.176 -5.619 1.00 0.38 C ATOM 185 O VAL A 12 -13.042 2.248 -4.869 1.00 0.47 O ATOM 186 CB VAL A 12 -10.798 -0.029 -5.465 1.00 0.41 C ATOM 187 CG1 VAL A 12 -11.929 -0.785 -4.759 1.00 0.46 C ATOM 188 CG2 VAL A 12 -10.943 -0.274 -6.965 1.00 0.53 C ATOM 0 H VAL A 12 -11.640 1.411 -3.249 1.00 0.43 H new ATOM 0 HA VAL A 12 -9.943 1.919 -5.637 1.00 0.41 H new ATOM 0 HB VAL A 12 -9.836 -0.401 -5.111 1.00 0.41 H new ATOM 0 HG11 VAL A 12 -11.882 -1.841 -5.025 1.00 0.46 H new ATOM 0 HG12 VAL A 12 -11.820 -0.677 -3.680 1.00 0.46 H new ATOM 0 HG13 VAL A 12 -12.890 -0.375 -5.070 1.00 0.46 H new ATOM 0 HG21 VAL A 12 -10.936 -1.346 -7.161 1.00 0.53 H new ATOM 0 HG22 VAL A 12 -11.883 0.153 -7.314 1.00 0.53 H new ATOM 0 HG23 VAL A 12 -10.113 0.196 -7.492 1.00 0.53 H new ATOM 198 N SER A 13 -12.066 2.698 -6.848 1.00 0.42 N ATOM 199 CA SER A 13 -13.197 3.405 -7.438 1.00 0.44 C ATOM 200 C SER A 13 -13.784 2.650 -8.629 1.00 0.46 C ATOM 201 O SER A 13 -13.177 1.717 -9.149 1.00 0.61 O ATOM 202 CB SER A 13 -12.743 4.781 -7.906 1.00 0.56 C ATOM 203 OG SER A 13 -11.984 5.427 -6.904 1.00 0.71 O ATOM 0 H SER A 13 -11.259 2.638 -7.469 1.00 0.42 H new ATOM 0 HA SER A 13 -13.969 3.489 -6.673 1.00 0.44 H new ATOM 0 HB2 SER A 13 -12.147 4.683 -8.813 1.00 0.56 H new ATOM 0 HB3 SER A 13 -13.612 5.389 -8.159 1.00 0.56 H new ATOM 0 HG SER A 13 -11.701 6.308 -7.225 1.00 0.71 H new ATOM 209 N GLY A 14 -14.973 3.076 -9.070 1.00 0.48 N ATOM 210 CA GLY A 14 -15.727 2.429 -10.141 1.00 0.58 C ATOM 211 C GLY A 14 -16.513 1.220 -9.624 1.00 0.55 C ATOM 212 O GLY A 14 -17.301 0.613 -10.357 1.00 0.67 O ATOM 0 H GLY A 14 -15.443 3.894 -8.684 1.00 0.48 H new ATOM 0 HA2 GLY A 14 -16.415 3.147 -10.588 1.00 0.58 H new ATOM 0 HA3 GLY A 14 -15.043 2.110 -10.928 1.00 0.58 H new ATOM 216 N MET A 15 -16.321 0.872 -8.348 1.00 0.60 N ATOM 217 CA MET A 15 -17.023 -0.203 -7.698 1.00 0.71 C ATOM 218 C MET A 15 -18.528 0.081 -7.664 1.00 0.80 C ATOM 219 O MET A 15 -19.038 0.776 -6.794 1.00 0.99 O ATOM 220 CB MET A 15 -16.435 -0.413 -6.299 1.00 0.88 C ATOM 221 CG MET A 15 -16.203 -1.903 -6.083 1.00 1.15 C ATOM 222 SD MET A 15 -16.455 -2.459 -4.387 1.00 1.87 S ATOM 223 CE MET A 15 -15.185 -1.480 -3.571 1.00 2.59 C ATOM 0 H MET A 15 -15.656 1.349 -7.738 1.00 0.60 H new ATOM 0 HA MET A 15 -16.894 -1.128 -8.260 1.00 0.71 H new ATOM 0 HB2 MET A 15 -15.497 0.134 -6.198 1.00 0.88 H new ATOM 0 HB3 MET A 15 -17.115 -0.023 -5.541 1.00 0.88 H new ATOM 0 HG2 MET A 15 -16.872 -2.461 -6.738 1.00 1.15 H new ATOM 0 HG3 MET A 15 -15.184 -2.147 -6.385 1.00 1.15 H new ATOM 0 HE1 MET A 15 -15.215 -1.667 -2.498 1.00 2.59 H new ATOM 0 HE2 MET A 15 -14.205 -1.757 -3.961 1.00 2.59 H new ATOM 0 HE3 MET A 15 -15.364 -0.422 -3.760 1.00 2.59 H new ATOM 233 N THR A 16 -19.243 -0.468 -8.641 1.00 0.85 N ATOM 234 CA THR A 16 -20.660 -0.208 -8.829 1.00 0.96 C ATOM 235 C THR A 16 -21.505 -1.096 -7.906 1.00 1.01 C ATOM 236 O THR A 16 -22.702 -0.867 -7.762 1.00 1.11 O ATOM 237 CB THR A 16 -20.983 -0.397 -10.321 1.00 1.06 C ATOM 238 OG1 THR A 16 -20.029 0.285 -11.125 1.00 1.11 O ATOM 239 CG2 THR A 16 -22.370 0.134 -10.695 1.00 1.25 C ATOM 0 H THR A 16 -18.849 -1.111 -9.328 1.00 0.85 H new ATOM 0 HA THR A 16 -20.910 0.816 -8.551 1.00 0.96 H new ATOM 0 HB THR A 16 -20.955 -1.471 -10.502 1.00 1.06 H new ATOM 0 HG1 THR A 16 -19.356 -0.351 -11.444 1.00 1.11 H new ATOM 0 HG21 THR A 16 -22.546 -0.025 -11.759 1.00 1.25 H new ATOM 0 HG22 THR A 16 -23.129 -0.395 -10.119 1.00 1.25 H new ATOM 0 HG23 THR A 16 -22.423 1.200 -10.474 1.00 1.25 H new ATOM 247 N CYS A 17 -20.897 -2.126 -7.295 1.00 1.07 N ATOM 248 CA CYS A 17 -21.611 -3.099 -6.460 1.00 1.29 C ATOM 249 C CYS A 17 -22.643 -3.841 -7.315 1.00 1.28 C ATOM 250 O CYS A 17 -23.776 -4.113 -6.932 1.00 2.57 O ATOM 251 CB CYS A 17 -22.209 -2.455 -5.201 1.00 2.53 C ATOM 252 SG CYS A 17 -22.846 -3.759 -4.117 1.00 3.44 S ATOM 0 H CYS A 17 -19.896 -2.305 -7.368 1.00 1.07 H new ATOM 0 HA CYS A 17 -20.901 -3.835 -6.082 1.00 1.29 H new ATOM 0 HB2 CYS A 17 -21.450 -1.870 -4.681 1.00 2.53 H new ATOM 0 HB3 CYS A 17 -23.010 -1.768 -5.474 1.00 2.53 H new ATOM 0 HG CYS A 17 -23.599 -4.565 -4.804 1.00 3.44 H new ATOM 258 N ALA A 18 -22.202 -4.176 -8.523 1.00 1.88 N ATOM 259 CA ALA A 18 -22.926 -4.963 -9.493 1.00 2.89 C ATOM 260 C ALA A 18 -21.833 -5.583 -10.346 1.00 2.53 C ATOM 261 O ALA A 18 -21.322 -4.939 -11.256 1.00 3.87 O ATOM 262 CB ALA A 18 -23.865 -4.065 -10.304 1.00 4.15 C ATOM 0 H ALA A 18 -21.284 -3.888 -8.861 1.00 1.88 H new ATOM 0 HA ALA A 18 -23.567 -5.726 -9.051 1.00 2.89 H new ATOM 0 HB1 ALA A 18 -24.406 -4.668 -11.033 1.00 4.15 H new ATOM 0 HB2 ALA A 18 -24.576 -3.582 -9.633 1.00 4.15 H new ATOM 0 HB3 ALA A 18 -23.282 -3.305 -10.824 1.00 4.15 H new ATOM 268 N ALA A 19 -21.365 -6.768 -9.951 1.00 1.11 N ATOM 269 CA ALA A 19 -20.327 -7.527 -10.640 1.00 0.88 C ATOM 270 C ALA A 19 -18.918 -6.924 -10.566 1.00 0.68 C ATOM 271 O ALA A 19 -17.959 -7.666 -10.732 1.00 0.67 O ATOM 272 CB ALA A 19 -20.715 -7.780 -12.097 1.00 1.46 C ATOM 0 H ALA A 19 -21.711 -7.239 -9.115 1.00 1.11 H new ATOM 0 HA ALA A 19 -20.268 -8.469 -10.095 1.00 0.88 H new ATOM 0 HB1 ALA A 19 -19.926 -8.347 -12.590 1.00 1.46 H new ATOM 0 HB2 ALA A 19 -21.646 -8.346 -12.133 1.00 1.46 H new ATOM 0 HB3 ALA A 19 -20.850 -6.827 -12.608 1.00 1.46 H new ATOM 278 N CYS A 20 -18.758 -5.615 -10.334 1.00 0.60 N ATOM 279 CA CYS A 20 -17.468 -4.937 -10.393 1.00 0.57 C ATOM 280 C CYS A 20 -16.544 -5.577 -9.369 1.00 0.49 C ATOM 281 O CYS A 20 -15.525 -6.176 -9.709 1.00 0.53 O ATOM 282 CB CYS A 20 -17.631 -3.431 -10.116 1.00 0.60 C ATOM 283 SG CYS A 20 -18.399 -2.607 -11.534 1.00 0.71 S ATOM 0 H CYS A 20 -19.533 -4.995 -10.098 1.00 0.60 H new ATOM 0 HA CYS A 20 -17.041 -5.040 -11.391 1.00 0.57 H new ATOM 0 HB2 CYS A 20 -18.243 -3.283 -9.226 1.00 0.60 H new ATOM 0 HB3 CYS A 20 -16.658 -2.985 -9.912 1.00 0.60 H new ATOM 0 HG CYS A 20 -17.530 -1.827 -12.106 1.00 0.71 H new ATOM 289 N ALA A 21 -16.969 -5.504 -8.106 1.00 0.46 N ATOM 290 CA ALA A 21 -16.342 -6.202 -7.000 1.00 0.55 C ATOM 291 C ALA A 21 -16.040 -7.647 -7.379 1.00 0.53 C ATOM 292 O ALA A 21 -14.884 -8.062 -7.375 1.00 0.53 O ATOM 293 CB ALA A 21 -17.280 -6.144 -5.789 1.00 0.77 C ATOM 0 H ALA A 21 -17.775 -4.945 -7.826 1.00 0.46 H new ATOM 0 HA ALA A 21 -15.395 -5.722 -6.752 1.00 0.55 H new ATOM 0 HB1 ALA A 21 -16.822 -6.665 -4.949 1.00 0.77 H new ATOM 0 HB2 ALA A 21 -17.459 -5.104 -5.517 1.00 0.77 H new ATOM 0 HB3 ALA A 21 -18.227 -6.622 -6.039 1.00 0.77 H new ATOM 299 N ALA A 22 -17.082 -8.382 -7.773 1.00 0.57 N ATOM 300 CA ALA A 22 -16.967 -9.807 -8.045 1.00 0.65 C ATOM 301 C ALA A 22 -15.908 -10.085 -9.112 1.00 0.61 C ATOM 302 O ALA A 22 -15.174 -11.065 -9.022 1.00 0.67 O ATOM 303 CB ALA A 22 -18.325 -10.374 -8.459 1.00 0.78 C ATOM 0 H ALA A 22 -18.020 -8.005 -7.910 1.00 0.57 H new ATOM 0 HA ALA A 22 -16.646 -10.306 -7.131 1.00 0.65 H new ATOM 0 HB1 ALA A 22 -18.228 -11.441 -8.660 1.00 0.78 H new ATOM 0 HB2 ALA A 22 -19.044 -10.221 -7.654 1.00 0.78 H new ATOM 0 HB3 ALA A 22 -18.673 -9.865 -9.358 1.00 0.78 H new ATOM 309 N ARG A 23 -15.822 -9.232 -10.134 1.00 0.59 N ATOM 310 CA ARG A 23 -14.853 -9.368 -11.199 1.00 0.65 C ATOM 311 C ARG A 23 -13.450 -9.163 -10.661 1.00 0.60 C ATOM 312 O ARG A 23 -12.553 -9.920 -11.028 1.00 0.65 O ATOM 313 CB ARG A 23 -15.148 -8.381 -12.337 1.00 0.72 C ATOM 314 CG ARG A 23 -16.012 -9.033 -13.417 1.00 0.84 C ATOM 315 CD ARG A 23 -15.241 -10.174 -14.109 1.00 0.93 C ATOM 316 NE ARG A 23 -15.329 -10.052 -15.576 1.00 1.07 N ATOM 317 CZ ARG A 23 -14.660 -10.803 -16.465 1.00 1.54 C ATOM 318 NH1 ARG A 23 -13.884 -11.804 -16.036 1.00 2.37 N ATOM 319 NH2 ARG A 23 -14.772 -10.552 -17.774 1.00 1.58 N ATOM 0 H ARG A 23 -16.434 -8.422 -10.238 1.00 0.59 H new ATOM 0 HA ARG A 23 -14.926 -10.377 -11.604 1.00 0.65 H new ATOM 0 HB2 ARG A 23 -15.658 -7.503 -11.939 1.00 0.72 H new ATOM 0 HB3 ARG A 23 -14.212 -8.035 -12.775 1.00 0.72 H new ATOM 0 HG2 ARG A 23 -16.928 -9.422 -12.972 1.00 0.84 H new ATOM 0 HG3 ARG A 23 -16.308 -8.287 -14.154 1.00 0.84 H new ATOM 0 HD2 ARG A 23 -14.196 -10.152 -13.800 1.00 0.93 H new ATOM 0 HD3 ARG A 23 -15.646 -11.136 -13.795 1.00 0.93 H new ATOM 0 HE ARG A 23 -15.952 -9.335 -15.947 1.00 1.07 H new ATOM 0 HH11 ARG A 23 -13.802 -11.994 -15.037 1.00 2.37 H new ATOM 0 HH12 ARG A 23 -13.374 -12.378 -16.708 1.00 2.37 H new ATOM 0 HH21 ARG A 23 -15.366 -9.789 -18.098 1.00 1.58 H new ATOM 0 HH22 ARG A 23 -14.263 -11.124 -18.448 1.00 1.58 H new ATOM 333 N ILE A 24 -13.245 -8.154 -9.811 1.00 0.54 N ATOM 334 CA ILE A 24 -11.939 -7.932 -9.233 1.00 0.53 C ATOM 335 C ILE A 24 -11.603 -9.143 -8.364 1.00 0.54 C ATOM 336 O ILE A 24 -10.582 -9.782 -8.585 1.00 0.64 O ATOM 337 CB ILE A 24 -11.914 -6.593 -8.482 1.00 0.49 C ATOM 338 CG1 ILE A 24 -12.281 -5.444 -9.442 1.00 0.60 C ATOM 339 CG2 ILE A 24 -10.528 -6.341 -7.898 1.00 0.49 C ATOM 340 CD1 ILE A 24 -12.559 -4.126 -8.719 1.00 0.51 C ATOM 0 H ILE A 24 -13.963 -7.492 -9.517 1.00 0.54 H new ATOM 0 HA ILE A 24 -11.165 -7.846 -9.996 1.00 0.53 H new ATOM 0 HB ILE A 24 -12.642 -6.636 -7.672 1.00 0.49 H new ATOM 0 HG12 ILE A 24 -11.467 -5.298 -10.152 1.00 0.60 H new ATOM 0 HG13 ILE A 24 -13.161 -5.728 -10.019 1.00 0.60 H new ATOM 0 HG21 ILE A 24 -10.524 -5.388 -7.368 1.00 0.49 H new ATOM 0 HG22 ILE A 24 -10.274 -7.143 -7.205 1.00 0.49 H new ATOM 0 HG23 ILE A 24 -9.794 -6.311 -8.703 1.00 0.49 H new ATOM 0 HD11 ILE A 24 -12.811 -3.357 -9.449 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -13.392 -4.258 -8.029 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -11.672 -3.822 -8.163 1.00 0.51 H new ATOM 352 N GLU A 25 -12.474 -9.517 -7.427 1.00 0.52 N ATOM 353 CA GLU A 25 -12.244 -10.649 -6.543 1.00 0.61 C ATOM 354 C GLU A 25 -11.914 -11.908 -7.349 1.00 0.64 C ATOM 355 O GLU A 25 -10.903 -12.557 -7.089 1.00 0.67 O ATOM 356 CB GLU A 25 -13.465 -10.856 -5.642 1.00 0.73 C ATOM 357 CG GLU A 25 -13.649 -9.683 -4.670 1.00 0.76 C ATOM 358 CD GLU A 25 -14.961 -9.810 -3.912 1.00 2.42 C ATOM 359 OE1 GLU A 25 -16.008 -9.730 -4.593 1.00 3.59 O ATOM 360 OE2 GLU A 25 -14.897 -9.962 -2.673 1.00 3.15 O ATOM 0 H GLU A 25 -13.360 -9.039 -7.263 1.00 0.52 H new ATOM 0 HA GLU A 25 -11.383 -10.440 -5.908 1.00 0.61 H new ATOM 0 HB2 GLU A 25 -14.358 -10.965 -6.257 1.00 0.73 H new ATOM 0 HB3 GLU A 25 -13.351 -11.782 -5.079 1.00 0.73 H new ATOM 0 HG2 GLU A 25 -12.818 -9.655 -3.965 1.00 0.76 H new ATOM 0 HG3 GLU A 25 -13.632 -8.742 -5.221 1.00 0.76 H new ATOM 367 N LYS A 26 -12.739 -12.251 -8.343 1.00 0.68 N ATOM 368 CA LYS A 26 -12.522 -13.440 -9.150 1.00 0.79 C ATOM 369 C LYS A 26 -11.213 -13.330 -9.944 1.00 0.81 C ATOM 370 O LYS A 26 -10.417 -14.268 -9.982 1.00 0.93 O ATOM 371 CB LYS A 26 -13.731 -13.740 -10.055 1.00 0.88 C ATOM 372 CG LYS A 26 -13.820 -15.258 -10.271 1.00 1.31 C ATOM 373 CD LYS A 26 -14.318 -15.682 -11.657 1.00 1.23 C ATOM 374 CE LYS A 26 -15.756 -15.224 -11.939 1.00 1.26 C ATOM 375 NZ LYS A 26 -16.292 -15.833 -13.177 1.00 1.74 N ATOM 0 H LYS A 26 -13.566 -11.714 -8.604 1.00 0.68 H new ATOM 0 HA LYS A 26 -12.422 -14.291 -8.477 1.00 0.79 H new ATOM 0 HB2 LYS A 26 -14.648 -13.369 -9.596 1.00 0.88 H new ATOM 0 HB3 LYS A 26 -13.623 -13.228 -11.011 1.00 0.88 H new ATOM 0 HG2 LYS A 26 -12.834 -15.693 -10.106 1.00 1.31 H new ATOM 0 HG3 LYS A 26 -14.485 -15.680 -9.517 1.00 1.31 H new ATOM 0 HD2 LYS A 26 -13.655 -15.270 -12.418 1.00 1.23 H new ATOM 0 HD3 LYS A 26 -14.264 -16.767 -11.741 1.00 1.23 H new ATOM 0 HE2 LYS A 26 -16.394 -15.490 -11.097 1.00 1.26 H new ATOM 0 HE3 LYS A 26 -15.781 -14.138 -12.027 1.00 1.26 H new ATOM 0 HZ1 LYS A 26 -17.265 -15.500 -13.335 1.00 1.74 H new ATOM 0 HZ2 LYS A 26 -15.697 -15.558 -13.985 1.00 1.74 H new ATOM 0 HZ3 LYS A 26 -16.291 -16.869 -13.083 1.00 1.74 H new ATOM 389 N GLY A 27 -10.994 -12.182 -10.588 1.00 0.74 N ATOM 390 CA GLY A 27 -9.800 -11.909 -11.368 1.00 0.78 C ATOM 391 C GLY A 27 -8.538 -12.034 -10.517 1.00 0.73 C ATOM 392 O GLY A 27 -7.531 -12.570 -10.972 1.00 0.78 O ATOM 0 H GLY A 27 -11.657 -11.407 -10.578 1.00 0.74 H new ATOM 0 HA2 GLY A 27 -9.745 -12.603 -12.207 1.00 0.78 H new ATOM 0 HA3 GLY A 27 -9.860 -10.905 -11.788 1.00 0.78 H new ATOM 396 N LEU A 28 -8.583 -11.542 -9.281 1.00 0.66 N ATOM 397 CA LEU A 28 -7.479 -11.645 -8.346 1.00 0.65 C ATOM 398 C LEU A 28 -7.323 -13.090 -7.866 1.00 0.71 C ATOM 399 O LEU A 28 -6.216 -13.612 -7.892 1.00 0.72 O ATOM 400 CB LEU A 28 -7.635 -10.621 -7.205 1.00 0.59 C ATOM 401 CG LEU A 28 -7.036 -9.234 -7.530 1.00 0.60 C ATOM 402 CD1 LEU A 28 -5.508 -9.297 -7.559 1.00 1.45 C ATOM 403 CD2 LEU A 28 -7.535 -8.607 -8.829 1.00 1.44 C ATOM 0 H LEU A 28 -9.397 -11.057 -8.903 1.00 0.66 H new ATOM 0 HA LEU A 28 -6.546 -11.389 -8.848 1.00 0.65 H new ATOM 0 HB2 LEU A 28 -8.694 -10.505 -6.975 1.00 0.59 H new ATOM 0 HB3 LEU A 28 -7.155 -11.013 -6.308 1.00 0.59 H new ATOM 0 HG LEU A 28 -7.384 -8.589 -6.723 1.00 0.60 H new ATOM 0 HD11 LEU A 28 -5.107 -8.310 -7.790 1.00 1.45 H new ATOM 0 HD12 LEU A 28 -5.139 -9.620 -6.586 1.00 1.45 H new ATOM 0 HD13 LEU A 28 -5.188 -10.006 -8.322 1.00 1.45 H new ATOM 0 HD21 LEU A 28 -7.059 -7.637 -8.971 1.00 1.44 H new ATOM 0 HD22 LEU A 28 -7.287 -9.259 -9.667 1.00 1.44 H new ATOM 0 HD23 LEU A 28 -8.616 -8.477 -8.778 1.00 1.44 H new ATOM 415 N LYS A 29 -8.407 -13.772 -7.487 1.00 0.80 N ATOM 416 CA LYS A 29 -8.371 -15.182 -7.090 1.00 0.92 C ATOM 417 C LYS A 29 -7.839 -16.099 -8.204 1.00 1.02 C ATOM 418 O LYS A 29 -7.448 -17.229 -7.933 1.00 1.10 O ATOM 419 CB LYS A 29 -9.732 -15.620 -6.520 1.00 1.18 C ATOM 420 CG LYS A 29 -9.936 -14.966 -5.139 1.00 1.85 C ATOM 421 CD LYS A 29 -11.378 -15.051 -4.612 1.00 1.67 C ATOM 422 CE LYS A 29 -11.712 -16.357 -3.873 1.00 1.64 C ATOM 423 NZ LYS A 29 -11.051 -16.448 -2.552 1.00 2.31 N ATOM 0 H LYS A 29 -9.339 -13.359 -7.447 1.00 0.80 H new ATOM 0 HA LYS A 29 -7.645 -15.287 -6.284 1.00 0.92 H new ATOM 0 HB2 LYS A 29 -10.535 -15.327 -7.197 1.00 1.18 H new ATOM 0 HB3 LYS A 29 -9.770 -16.706 -6.431 1.00 1.18 H new ATOM 0 HG2 LYS A 29 -9.269 -15.443 -4.421 1.00 1.85 H new ATOM 0 HG3 LYS A 29 -9.643 -13.918 -5.198 1.00 1.85 H new ATOM 0 HD2 LYS A 29 -11.555 -14.212 -3.939 1.00 1.67 H new ATOM 0 HD3 LYS A 29 -12.065 -14.937 -5.451 1.00 1.67 H new ATOM 0 HE2 LYS A 29 -12.792 -16.430 -3.741 1.00 1.64 H new ATOM 0 HE3 LYS A 29 -11.408 -17.205 -4.486 1.00 1.64 H new ATOM 0 HZ1 LYS A 29 -11.640 -17.012 -1.907 1.00 2.31 H new ATOM 0 HZ2 LYS A 29 -10.122 -16.903 -2.659 1.00 2.31 H new ATOM 0 HZ3 LYS A 29 -10.925 -15.493 -2.160 1.00 2.31 H new ATOM 437 N ARG A 30 -7.805 -15.627 -9.455 1.00 1.06 N ATOM 438 CA ARG A 30 -7.076 -16.288 -10.533 1.00 1.15 C ATOM 439 C ARG A 30 -5.589 -16.509 -10.193 1.00 1.17 C ATOM 440 O ARG A 30 -4.990 -17.472 -10.666 1.00 1.36 O ATOM 441 CB ARG A 30 -7.203 -15.457 -11.821 1.00 1.14 C ATOM 442 CG ARG A 30 -7.345 -16.319 -13.083 1.00 1.37 C ATOM 443 CD ARG A 30 -8.793 -16.816 -13.239 1.00 2.18 C ATOM 444 NE ARG A 30 -8.969 -17.657 -14.437 1.00 2.61 N ATOM 445 CZ ARG A 30 -9.119 -17.208 -15.694 1.00 2.30 C ATOM 446 NH1 ARG A 30 -9.026 -15.898 -15.950 1.00 2.44 N ATOM 447 NH2 ARG A 30 -9.364 -18.068 -16.690 1.00 2.90 N ATOM 0 H ARG A 30 -8.284 -14.774 -9.745 1.00 1.06 H new ATOM 0 HA ARG A 30 -7.520 -17.273 -10.674 1.00 1.15 H new ATOM 0 HB2 ARG A 30 -8.069 -14.800 -11.738 1.00 1.14 H new ATOM 0 HB3 ARG A 30 -6.326 -14.818 -11.922 1.00 1.14 H new ATOM 0 HG2 ARG A 30 -7.057 -15.739 -13.960 1.00 1.37 H new ATOM 0 HG3 ARG A 30 -6.667 -17.170 -13.027 1.00 1.37 H new ATOM 0 HD2 ARG A 30 -9.077 -17.385 -12.354 1.00 2.18 H new ATOM 0 HD3 ARG A 30 -9.465 -15.960 -13.297 1.00 2.18 H new ATOM 0 HE ARG A 30 -8.978 -18.668 -14.299 1.00 2.61 H new ATOM 0 HH11 ARG A 30 -8.841 -15.242 -15.191 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -9.140 -15.555 -16.904 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -9.437 -19.067 -16.495 1.00 2.90 H new ATOM 0 HH22 ARG A 30 -9.478 -17.725 -17.644 1.00 2.90 H new ATOM 461 N MET A 31 -4.975 -15.589 -9.441 1.00 1.00 N ATOM 462 CA MET A 31 -3.560 -15.639 -9.085 1.00 1.01 C ATOM 463 C MET A 31 -3.300 -16.733 -8.043 1.00 1.02 C ATOM 464 O MET A 31 -4.158 -16.980 -7.199 1.00 1.05 O ATOM 465 CB MET A 31 -3.136 -14.288 -8.498 1.00 0.96 C ATOM 466 CG MET A 31 -3.094 -13.183 -9.554 1.00 0.99 C ATOM 467 SD MET A 31 -1.486 -13.069 -10.382 1.00 1.37 S ATOM 468 CE MET A 31 -1.735 -11.567 -11.343 1.00 1.46 C ATOM 0 H MET A 31 -5.459 -14.777 -9.058 1.00 1.00 H new ATOM 0 HA MET A 31 -2.986 -15.861 -9.984 1.00 1.01 H new ATOM 0 HB2 MET A 31 -3.830 -14.005 -7.706 1.00 0.96 H new ATOM 0 HB3 MET A 31 -2.152 -14.387 -8.039 1.00 0.96 H new ATOM 0 HG2 MET A 31 -3.869 -13.367 -10.298 1.00 0.99 H new ATOM 0 HG3 MET A 31 -3.325 -12.227 -9.083 1.00 0.99 H new ATOM 0 HE1 MET A 31 -0.848 -11.369 -11.944 1.00 1.46 H new ATOM 0 HE2 MET A 31 -2.597 -11.693 -11.998 1.00 1.46 H new ATOM 0 HE3 MET A 31 -1.911 -10.729 -10.669 1.00 1.46 H new ATOM 478 N PRO A 32 -2.105 -17.345 -8.048 1.00 1.06 N ATOM 479 CA PRO A 32 -1.738 -18.363 -7.076 1.00 1.08 C ATOM 480 C PRO A 32 -1.556 -17.766 -5.676 1.00 1.03 C ATOM 481 O PRO A 32 -2.070 -18.318 -4.707 1.00 1.54 O ATOM 482 CB PRO A 32 -0.453 -18.996 -7.619 1.00 1.18 C ATOM 483 CG PRO A 32 0.183 -17.877 -8.445 1.00 1.19 C ATOM 484 CD PRO A 32 -1.028 -17.128 -9.002 1.00 1.14 C ATOM 0 HA PRO A 32 -2.520 -19.113 -6.955 1.00 1.08 H new ATOM 0 HB2 PRO A 32 0.204 -19.321 -6.813 1.00 1.18 H new ATOM 0 HB3 PRO A 32 -0.666 -19.873 -8.230 1.00 1.18 H new ATOM 0 HG2 PRO A 32 0.811 -17.230 -7.832 1.00 1.19 H new ATOM 0 HG3 PRO A 32 0.814 -18.272 -9.241 1.00 1.19 H new ATOM 0 HD2 PRO A 32 -0.813 -16.065 -9.113 1.00 1.14 H new ATOM 0 HD3 PRO A 32 -1.299 -17.503 -9.989 1.00 1.14 H new ATOM 492 N GLY A 33 -0.861 -16.627 -5.561 1.00 0.75 N ATOM 493 CA GLY A 33 -0.493 -16.067 -4.273 1.00 0.64 C ATOM 494 C GLY A 33 -1.716 -15.586 -3.517 1.00 0.61 C ATOM 495 O GLY A 33 -1.692 -15.534 -2.290 1.00 0.62 O ATOM 0 H GLY A 33 -0.544 -16.077 -6.359 1.00 0.75 H new ATOM 0 HA2 GLY A 33 0.031 -16.819 -3.683 1.00 0.64 H new ATOM 0 HA3 GLY A 33 0.198 -15.237 -4.418 1.00 0.64 H new ATOM 499 N VAL A 34 -2.765 -15.185 -4.244 1.00 0.61 N ATOM 500 CA VAL A 34 -4.012 -14.738 -3.657 1.00 0.60 C ATOM 501 C VAL A 34 -4.609 -15.845 -2.795 1.00 0.66 C ATOM 502 O VAL A 34 -5.120 -16.839 -3.301 1.00 0.83 O ATOM 503 CB VAL A 34 -4.951 -14.171 -4.733 1.00 0.64 C ATOM 504 CG1 VAL A 34 -6.357 -13.942 -4.172 1.00 1.50 C ATOM 505 CG2 VAL A 34 -4.397 -12.820 -5.213 1.00 1.04 C ATOM 0 H VAL A 34 -2.762 -15.165 -5.264 1.00 0.61 H new ATOM 0 HA VAL A 34 -3.834 -13.903 -2.979 1.00 0.60 H new ATOM 0 HB VAL A 34 -5.009 -14.887 -5.552 1.00 0.64 H new ATOM 0 HG11 VAL A 34 -7.000 -13.540 -4.955 1.00 1.50 H new ATOM 0 HG12 VAL A 34 -6.765 -14.888 -3.816 1.00 1.50 H new ATOM 0 HG13 VAL A 34 -6.308 -13.234 -3.344 1.00 1.50 H new ATOM 0 HG21 VAL A 34 -5.056 -12.408 -5.977 1.00 1.04 H new ATOM 0 HG22 VAL A 34 -4.341 -12.130 -4.371 1.00 1.04 H new ATOM 0 HG23 VAL A 34 -3.401 -12.963 -5.631 1.00 1.04 H new ATOM 515 N THR A 35 -4.575 -15.625 -1.480 1.00 0.61 N ATOM 516 CA THR A 35 -5.171 -16.524 -0.518 1.00 0.70 C ATOM 517 C THR A 35 -6.653 -16.190 -0.492 1.00 0.66 C ATOM 518 O THR A 35 -7.493 -17.069 -0.687 1.00 0.74 O ATOM 519 CB THR A 35 -4.527 -16.309 0.853 1.00 0.81 C ATOM 520 OG1 THR A 35 -3.135 -16.476 0.740 1.00 0.98 O ATOM 521 CG2 THR A 35 -5.031 -17.321 1.886 1.00 0.93 C ATOM 0 H THR A 35 -4.128 -14.810 -1.060 1.00 0.61 H new ATOM 0 HA THR A 35 -5.020 -17.571 -0.782 1.00 0.70 H new ATOM 0 HB THR A 35 -4.789 -15.304 1.183 1.00 0.81 H new ATOM 0 HG1 THR A 35 -2.904 -17.415 0.900 1.00 0.98 H new ATOM 0 HG21 THR A 35 -4.549 -17.133 2.845 1.00 0.93 H new ATOM 0 HG22 THR A 35 -6.111 -17.221 1.997 1.00 0.93 H new ATOM 0 HG23 THR A 35 -4.793 -18.331 1.552 1.00 0.93 H new ATOM 529 N ASP A 36 -6.975 -14.903 -0.321 1.00 0.57 N ATOM 530 CA ASP A 36 -8.327 -14.443 -0.555 1.00 0.57 C ATOM 531 C ASP A 36 -8.302 -12.997 -1.027 1.00 0.53 C ATOM 532 O ASP A 36 -7.339 -12.269 -0.795 1.00 0.88 O ATOM 533 CB ASP A 36 -9.203 -14.654 0.688 1.00 0.79 C ATOM 534 CG ASP A 36 -10.683 -14.516 0.370 1.00 1.04 C ATOM 535 OD1 ASP A 36 -11.012 -14.500 -0.840 1.00 1.79 O ATOM 536 OD2 ASP A 36 -11.477 -14.454 1.329 1.00 1.72 O ATOM 0 H ASP A 36 -6.320 -14.179 -0.025 1.00 0.57 H new ATOM 0 HA ASP A 36 -8.783 -15.037 -1.348 1.00 0.57 H new ATOM 0 HB2 ASP A 36 -9.012 -15.644 1.103 1.00 0.79 H new ATOM 0 HB3 ASP A 36 -8.927 -13.929 1.454 1.00 0.79 H new ATOM 541 N ALA A 37 -9.355 -12.600 -1.732 1.00 0.54 N ATOM 542 CA ALA A 37 -9.563 -11.254 -2.218 1.00 0.49 C ATOM 543 C ALA A 37 -10.964 -10.883 -1.772 1.00 0.53 C ATOM 544 O ALA A 37 -11.918 -11.551 -2.167 1.00 0.63 O ATOM 545 CB ALA A 37 -9.414 -11.212 -3.740 1.00 0.55 C ATOM 0 H ALA A 37 -10.111 -13.235 -1.987 1.00 0.54 H new ATOM 0 HA ALA A 37 -8.831 -10.548 -1.827 1.00 0.49 H new ATOM 0 HB1 ALA A 37 -9.573 -10.193 -4.093 1.00 0.55 H new ATOM 0 HB2 ALA A 37 -8.412 -11.540 -4.017 1.00 0.55 H new ATOM 0 HB3 ALA A 37 -10.151 -11.873 -4.196 1.00 0.55 H new ATOM 551 N ASN A 38 -11.072 -9.870 -0.914 1.00 0.52 N ATOM 552 CA ASN A 38 -12.330 -9.413 -0.355 1.00 0.61 C ATOM 553 C ASN A 38 -12.485 -7.947 -0.723 1.00 0.49 C ATOM 554 O ASN A 38 -11.503 -7.263 -1.007 1.00 0.42 O ATOM 555 CB ASN A 38 -12.322 -9.555 1.174 1.00 0.80 C ATOM 556 CG ASN A 38 -11.914 -10.940 1.664 1.00 1.15 C ATOM 557 OD1 ASN A 38 -11.078 -11.058 2.554 1.00 2.62 O ATOM 558 ND2 ASN A 38 -12.491 -11.989 1.089 1.00 1.03 N ATOM 0 H ASN A 38 -10.267 -9.337 -0.585 1.00 0.52 H new ATOM 0 HA ASN A 38 -13.154 -10.009 -0.748 1.00 0.61 H new ATOM 0 HB2 ASN A 38 -11.640 -8.816 1.594 1.00 0.80 H new ATOM 0 HB3 ASN A 38 -13.316 -9.324 1.556 1.00 0.80 H new ATOM 0 HD21 ASN A 38 -12.243 -12.933 1.385 1.00 1.03 H new ATOM 0 HD22 ASN A 38 -13.182 -11.850 0.352 1.00 1.03 H new ATOM 565 N VAL A 39 -13.707 -7.430 -0.671 1.00 0.61 N ATOM 566 CA VAL A 39 -13.962 -6.027 -0.919 1.00 0.57 C ATOM 567 C VAL A 39 -15.157 -5.589 -0.088 1.00 0.77 C ATOM 568 O VAL A 39 -16.301 -5.974 -0.326 1.00 0.93 O ATOM 569 CB VAL A 39 -14.052 -5.769 -2.427 1.00 0.56 C ATOM 570 CG1 VAL A 39 -15.204 -6.510 -3.103 1.00 0.89 C ATOM 571 CG2 VAL A 39 -14.198 -4.282 -2.721 1.00 0.55 C ATOM 0 H VAL A 39 -14.542 -7.974 -0.456 1.00 0.61 H new ATOM 0 HA VAL A 39 -13.137 -5.394 -0.591 1.00 0.57 H new ATOM 0 HB VAL A 39 -13.117 -6.150 -2.838 1.00 0.56 H new ATOM 0 HG11 VAL A 39 -15.208 -6.282 -4.169 1.00 0.89 H new ATOM 0 HG12 VAL A 39 -15.078 -7.584 -2.962 1.00 0.89 H new ATOM 0 HG13 VAL A 39 -16.149 -6.194 -2.661 1.00 0.89 H new ATOM 0 HG21 VAL A 39 -14.260 -4.128 -3.798 1.00 0.55 H new ATOM 0 HG22 VAL A 39 -15.105 -3.905 -2.248 1.00 0.55 H new ATOM 0 HG23 VAL A 39 -13.334 -3.747 -2.327 1.00 0.55 H new ATOM 581 N ASN A 40 -14.870 -4.758 0.910 1.00 0.85 N ATOM 582 CA ASN A 40 -15.845 -4.206 1.816 1.00 1.10 C ATOM 583 C ASN A 40 -16.471 -3.031 1.077 1.00 1.03 C ATOM 584 O ASN A 40 -16.206 -1.863 1.354 1.00 0.98 O ATOM 585 CB ASN A 40 -15.165 -3.830 3.144 1.00 1.29 C ATOM 586 CG ASN A 40 -16.068 -4.161 4.322 1.00 1.54 C ATOM 587 OD1 ASN A 40 -16.135 -5.308 4.749 1.00 1.95 O ATOM 588 ND2 ASN A 40 -16.782 -3.176 4.853 1.00 2.29 N ATOM 0 H ASN A 40 -13.919 -4.447 1.108 1.00 0.85 H new ATOM 0 HA ASN A 40 -16.630 -4.909 2.095 1.00 1.10 H new ATOM 0 HB2 ASN A 40 -14.222 -4.367 3.240 1.00 1.29 H new ATOM 0 HB3 ASN A 40 -14.928 -2.766 3.149 1.00 1.29 H new ATOM 0 HD21 ASN A 40 -17.407 -3.364 5.637 1.00 2.29 H new ATOM 0 HD22 ASN A 40 -16.706 -2.231 4.477 1.00 2.29 H new ATOM 595 N LEU A 41 -17.288 -3.377 0.080 1.00 1.06 N ATOM 596 CA LEU A 41 -18.005 -2.453 -0.785 1.00 0.98 C ATOM 597 C LEU A 41 -18.803 -1.431 0.017 1.00 0.99 C ATOM 598 O LEU A 41 -18.958 -0.292 -0.409 1.00 0.98 O ATOM 599 CB LEU A 41 -18.839 -3.244 -1.804 1.00 1.12 C ATOM 600 CG LEU A 41 -19.932 -4.151 -1.222 1.00 1.46 C ATOM 601 CD1 LEU A 41 -21.256 -3.405 -1.012 1.00 1.74 C ATOM 602 CD2 LEU A 41 -20.142 -5.344 -2.164 1.00 1.62 C ATOM 0 H LEU A 41 -17.472 -4.353 -0.152 1.00 1.06 H new ATOM 0 HA LEU A 41 -17.292 -1.856 -1.354 1.00 0.98 H new ATOM 0 HB2 LEU A 41 -19.308 -2.536 -2.487 1.00 1.12 H new ATOM 0 HB3 LEU A 41 -18.163 -3.859 -2.398 1.00 1.12 H new ATOM 0 HG LEU A 41 -19.602 -4.494 -0.241 1.00 1.46 H new ATOM 0 HD11 LEU A 41 -21.997 -4.089 -0.599 1.00 1.74 H new ATOM 0 HD12 LEU A 41 -21.101 -2.577 -0.321 1.00 1.74 H new ATOM 0 HD13 LEU A 41 -21.611 -3.019 -1.967 1.00 1.74 H new ATOM 0 HD21 LEU A 41 -20.917 -5.995 -1.759 1.00 1.62 H new ATOM 0 HD22 LEU A 41 -20.448 -4.983 -3.146 1.00 1.62 H new ATOM 0 HD23 LEU A 41 -19.211 -5.903 -2.257 1.00 1.62 H new ATOM 614 N ALA A 42 -19.226 -1.814 1.222 1.00 1.10 N ATOM 615 CA ALA A 42 -19.911 -0.942 2.156 1.00 1.21 C ATOM 616 C ALA A 42 -19.105 0.330 2.430 1.00 1.13 C ATOM 617 O ALA A 42 -19.686 1.393 2.627 1.00 1.17 O ATOM 618 CB ALA A 42 -20.188 -1.711 3.452 1.00 1.48 C ATOM 0 H ALA A 42 -19.095 -2.761 1.577 1.00 1.10 H new ATOM 0 HA ALA A 42 -20.857 -0.627 1.716 1.00 1.21 H new ATOM 0 HB1 ALA A 42 -20.703 -1.060 4.158 1.00 1.48 H new ATOM 0 HB2 ALA A 42 -20.813 -2.577 3.235 1.00 1.48 H new ATOM 0 HB3 ALA A 42 -19.245 -2.044 3.886 1.00 1.48 H new ATOM 624 N THR A 43 -17.774 0.213 2.453 1.00 1.09 N ATOM 625 CA THR A 43 -16.850 1.321 2.642 1.00 1.11 C ATOM 626 C THR A 43 -15.958 1.515 1.406 1.00 0.94 C ATOM 627 O THR A 43 -14.958 2.227 1.480 1.00 1.06 O ATOM 628 CB THR A 43 -16.039 1.027 3.910 1.00 1.30 C ATOM 629 OG1 THR A 43 -15.286 -0.161 3.765 1.00 1.39 O ATOM 630 CG2 THR A 43 -16.993 0.811 5.088 1.00 1.38 C ATOM 0 H THR A 43 -17.302 -0.684 2.337 1.00 1.09 H new ATOM 0 HA THR A 43 -17.389 2.261 2.764 1.00 1.11 H new ATOM 0 HB THR A 43 -15.375 1.874 4.082 1.00 1.30 H new ATOM 0 HG1 THR A 43 -14.776 -0.327 4.585 1.00 1.39 H new ATOM 0 HG21 THR A 43 -16.417 0.602 5.989 1.00 1.38 H new ATOM 0 HG22 THR A 43 -17.592 1.709 5.240 1.00 1.38 H new ATOM 0 HG23 THR A 43 -17.650 -0.032 4.874 1.00 1.38 H new ATOM 638 N GLU A 44 -16.311 0.877 0.283 1.00 0.75 N ATOM 639 CA GLU A 44 -15.520 0.840 -0.941 1.00 0.65 C ATOM 640 C GLU A 44 -14.046 0.473 -0.695 1.00 0.69 C ATOM 641 O GLU A 44 -13.152 1.066 -1.303 1.00 0.94 O ATOM 642 CB GLU A 44 -15.677 2.144 -1.742 1.00 0.74 C ATOM 643 CG GLU A 44 -17.094 2.301 -2.306 1.00 0.84 C ATOM 644 CD GLU A 44 -17.185 3.530 -3.203 1.00 1.03 C ATOM 645 OE1 GLU A 44 -16.707 3.429 -4.354 1.00 2.11 O ATOM 646 OE2 GLU A 44 -17.712 4.552 -2.715 1.00 1.32 O ATOM 0 H GLU A 44 -17.185 0.357 0.205 1.00 0.75 H new ATOM 0 HA GLU A 44 -15.920 0.031 -1.552 1.00 0.65 H new ATOM 0 HB2 GLU A 44 -15.445 2.994 -1.101 1.00 0.74 H new ATOM 0 HB3 GLU A 44 -14.957 2.156 -2.560 1.00 0.74 H new ATOM 0 HG2 GLU A 44 -17.366 1.410 -2.873 1.00 0.84 H new ATOM 0 HG3 GLU A 44 -17.809 2.388 -1.488 1.00 0.84 H new ATOM 653 N THR A 45 -13.774 -0.524 0.156 1.00 0.62 N ATOM 654 CA THR A 45 -12.423 -0.867 0.569 1.00 0.66 C ATOM 655 C THR A 45 -12.098 -2.251 0.018 1.00 0.58 C ATOM 656 O THR A 45 -12.698 -3.220 0.469 1.00 0.63 O ATOM 657 CB THR A 45 -12.358 -0.851 2.103 1.00 0.79 C ATOM 658 OG1 THR A 45 -12.820 0.387 2.605 1.00 0.81 O ATOM 659 CG2 THR A 45 -10.931 -1.094 2.587 1.00 1.05 C ATOM 0 H THR A 45 -14.494 -1.113 0.575 1.00 0.62 H new ATOM 0 HA THR A 45 -11.695 -0.152 0.187 1.00 0.66 H new ATOM 0 HB THR A 45 -12.999 -1.651 2.473 1.00 0.79 H new ATOM 0 HG1 THR A 45 -13.687 0.259 3.043 1.00 0.81 H new ATOM 0 HG21 THR A 45 -10.909 -1.078 3.677 1.00 1.05 H new ATOM 0 HG22 THR A 45 -10.586 -2.065 2.231 1.00 1.05 H new ATOM 0 HG23 THR A 45 -10.277 -0.313 2.200 1.00 1.05 H new ATOM 667 N VAL A 46 -11.164 -2.368 -0.926 1.00 0.52 N ATOM 668 CA VAL A 46 -10.669 -3.648 -1.406 1.00 0.44 C ATOM 669 C VAL A 46 -9.596 -4.130 -0.433 1.00 0.46 C ATOM 670 O VAL A 46 -8.747 -3.349 -0.016 1.00 0.46 O ATOM 671 CB VAL A 46 -10.174 -3.518 -2.859 1.00 0.42 C ATOM 672 CG1 VAL A 46 -9.094 -2.447 -3.071 1.00 0.51 C ATOM 673 CG2 VAL A 46 -9.649 -4.859 -3.365 1.00 0.37 C ATOM 0 H VAL A 46 -10.728 -1.565 -1.380 1.00 0.52 H new ATOM 0 HA VAL A 46 -11.459 -4.398 -1.434 1.00 0.44 H new ATOM 0 HB VAL A 46 -11.047 -3.199 -3.429 1.00 0.42 H new ATOM 0 HG11 VAL A 46 -8.805 -2.425 -4.122 1.00 0.51 H new ATOM 0 HG12 VAL A 46 -9.487 -1.472 -2.782 1.00 0.51 H new ATOM 0 HG13 VAL A 46 -8.223 -2.683 -2.460 1.00 0.51 H new ATOM 0 HG21 VAL A 46 -9.303 -4.750 -4.393 1.00 0.37 H new ATOM 0 HG22 VAL A 46 -8.821 -5.186 -2.736 1.00 0.37 H new ATOM 0 HG23 VAL A 46 -10.448 -5.600 -3.328 1.00 0.37 H new ATOM 683 N ASN A 47 -9.666 -5.402 -0.033 1.00 0.50 N ATOM 684 CA ASN A 47 -8.790 -6.005 0.953 1.00 0.50 C ATOM 685 C ASN A 47 -8.262 -7.292 0.340 1.00 0.49 C ATOM 686 O ASN A 47 -9.024 -8.246 0.179 1.00 0.50 O ATOM 687 CB ASN A 47 -9.535 -6.315 2.261 1.00 0.55 C ATOM 688 CG ASN A 47 -10.411 -5.166 2.732 1.00 1.72 C ATOM 689 OD1 ASN A 47 -9.996 -4.331 3.525 1.00 2.87 O ATOM 690 ND2 ASN A 47 -11.638 -5.114 2.225 1.00 2.69 N ATOM 0 H ASN A 47 -10.358 -6.054 -0.403 1.00 0.50 H new ATOM 0 HA ASN A 47 -7.983 -5.317 1.205 1.00 0.50 H new ATOM 0 HB2 ASN A 47 -10.153 -7.201 2.119 1.00 0.55 H new ATOM 0 HB3 ASN A 47 -8.809 -6.554 3.038 1.00 0.55 H new ATOM 0 HD21 ASN A 47 -12.270 -4.360 2.494 1.00 2.69 H new ATOM 0 HD22 ASN A 47 -11.948 -5.828 1.566 1.00 2.69 H new ATOM 697 N VAL A 48 -6.989 -7.319 -0.048 1.00 0.49 N ATOM 698 CA VAL A 48 -6.417 -8.485 -0.710 1.00 0.46 C ATOM 699 C VAL A 48 -5.435 -9.149 0.249 1.00 0.45 C ATOM 700 O VAL A 48 -4.591 -8.464 0.833 1.00 0.48 O ATOM 701 CB VAL A 48 -5.792 -8.111 -2.066 1.00 0.46 C ATOM 702 CG1 VAL A 48 -5.656 -9.368 -2.938 1.00 0.46 C ATOM 703 CG2 VAL A 48 -6.673 -7.106 -2.826 1.00 0.48 C ATOM 0 H VAL A 48 -6.336 -6.547 0.085 1.00 0.49 H new ATOM 0 HA VAL A 48 -7.198 -9.206 -0.950 1.00 0.46 H new ATOM 0 HB VAL A 48 -4.817 -7.665 -1.868 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -5.213 -9.099 -3.897 1.00 0.46 H new ATOM 0 HG12 VAL A 48 -5.017 -10.093 -2.434 1.00 0.46 H new ATOM 0 HG13 VAL A 48 -6.641 -9.805 -3.103 1.00 0.46 H new ATOM 0 HG21 VAL A 48 -6.206 -6.861 -3.780 1.00 0.48 H new ATOM 0 HG22 VAL A 48 -7.654 -7.545 -3.005 1.00 0.48 H new ATOM 0 HG23 VAL A 48 -6.784 -6.198 -2.233 1.00 0.48 H new ATOM 713 N ILE A 49 -5.569 -10.469 0.419 1.00 0.46 N ATOM 714 CA ILE A 49 -4.725 -11.288 1.270 1.00 0.49 C ATOM 715 C ILE A 49 -3.988 -12.276 0.369 1.00 0.46 C ATOM 716 O ILE A 49 -4.623 -13.092 -0.305 1.00 0.46 O ATOM 717 CB ILE A 49 -5.565 -12.028 2.329 1.00 0.56 C ATOM 718 CG1 ILE A 49 -6.347 -10.998 3.167 1.00 0.64 C ATOM 719 CG2 ILE A 49 -4.667 -12.924 3.205 1.00 0.63 C ATOM 720 CD1 ILE A 49 -7.138 -11.625 4.317 1.00 1.25 C ATOM 0 H ILE A 49 -6.296 -11.007 -0.052 1.00 0.46 H new ATOM 0 HA ILE A 49 -4.013 -10.665 1.811 1.00 0.49 H new ATOM 0 HB ILE A 49 -6.283 -12.685 1.837 1.00 0.56 H new ATOM 0 HG12 ILE A 49 -5.649 -10.266 3.573 1.00 0.64 H new ATOM 0 HG13 ILE A 49 -7.034 -10.457 2.516 1.00 0.64 H new ATOM 0 HG21 ILE A 49 -5.279 -13.438 3.947 1.00 0.63 H new ATOM 0 HG22 ILE A 49 -4.164 -13.659 2.577 1.00 0.63 H new ATOM 0 HG23 ILE A 49 -3.923 -12.309 3.711 1.00 0.63 H new ATOM 0 HD11 ILE A 49 -7.664 -10.844 4.865 1.00 1.25 H new ATOM 0 HD12 ILE A 49 -7.860 -12.337 3.917 1.00 1.25 H new ATOM 0 HD13 ILE A 49 -6.454 -12.142 4.990 1.00 1.25 H new ATOM 732 N TYR A 50 -2.656 -12.200 0.322 1.00 0.46 N ATOM 733 CA TYR A 50 -1.876 -13.005 -0.606 1.00 0.46 C ATOM 734 C TYR A 50 -0.446 -13.196 -0.118 1.00 0.49 C ATOM 735 O TYR A 50 -0.026 -12.541 0.839 1.00 0.52 O ATOM 736 CB TYR A 50 -1.893 -12.351 -1.998 1.00 0.44 C ATOM 737 CG TYR A 50 -1.308 -10.966 -2.061 1.00 0.45 C ATOM 738 CD1 TYR A 50 -2.134 -9.878 -1.751 1.00 1.56 C ATOM 739 CD2 TYR A 50 0.015 -10.752 -2.490 1.00 1.82 C ATOM 740 CE1 TYR A 50 -1.617 -8.583 -1.782 1.00 1.50 C ATOM 741 CE2 TYR A 50 0.542 -9.449 -2.493 1.00 1.94 C ATOM 742 CZ TYR A 50 -0.263 -8.378 -2.068 1.00 0.66 C ATOM 743 OH TYR A 50 0.317 -7.195 -1.729 1.00 0.82 O ATOM 0 H TYR A 50 -2.100 -11.587 0.918 1.00 0.46 H new ATOM 0 HA TYR A 50 -2.330 -13.994 -0.668 1.00 0.46 H new ATOM 0 HB2 TYR A 50 -1.346 -12.991 -2.690 1.00 0.44 H new ATOM 0 HB3 TYR A 50 -2.924 -12.309 -2.350 1.00 0.44 H new ATOM 0 HD1 TYR A 50 -3.169 -10.042 -1.489 1.00 1.56 H new ATOM 0 HD2 TYR A 50 0.622 -11.584 -2.815 1.00 1.82 H new ATOM 0 HE1 TYR A 50 -2.262 -7.739 -1.585 1.00 1.50 H new ATOM 0 HE2 TYR A 50 1.556 -9.272 -2.819 1.00 1.94 H new ATOM 0 HH TYR A 50 -0.127 -6.828 -0.936 1.00 0.82 H new ATOM 753 N ASP A 51 0.305 -14.056 -0.813 1.00 0.52 N ATOM 754 CA ASP A 51 1.684 -14.362 -0.451 1.00 0.57 C ATOM 755 C ASP A 51 2.616 -13.353 -1.127 1.00 0.55 C ATOM 756 O ASP A 51 2.571 -13.221 -2.356 1.00 0.57 O ATOM 757 CB ASP A 51 2.033 -15.802 -0.877 1.00 0.70 C ATOM 758 CG ASP A 51 2.605 -16.620 0.274 1.00 1.24 C ATOM 759 OD1 ASP A 51 3.579 -16.132 0.884 1.00 1.85 O ATOM 760 OD2 ASP A 51 2.062 -17.717 0.531 1.00 2.33 O ATOM 0 H ASP A 51 -0.028 -14.555 -1.638 1.00 0.52 H new ATOM 0 HA ASP A 51 1.808 -14.289 0.630 1.00 0.57 H new ATOM 0 HB2 ASP A 51 1.138 -16.293 -1.260 1.00 0.70 H new ATOM 0 HB3 ASP A 51 2.755 -15.773 -1.693 1.00 0.70 H new ATOM 765 N PRO A 52 3.480 -12.630 -0.395 1.00 0.59 N ATOM 766 CA PRO A 52 4.404 -11.668 -0.987 1.00 0.66 C ATOM 767 C PRO A 52 5.594 -12.373 -1.655 1.00 0.75 C ATOM 768 O PRO A 52 6.731 -11.925 -1.521 1.00 0.91 O ATOM 769 CB PRO A 52 4.858 -10.790 0.190 1.00 0.79 C ATOM 770 CG PRO A 52 4.806 -11.750 1.381 1.00 0.81 C ATOM 771 CD PRO A 52 3.639 -12.683 1.050 1.00 0.69 C ATOM 0 HA PRO A 52 3.935 -11.081 -1.777 1.00 0.66 H new ATOM 0 HB2 PRO A 52 5.862 -10.395 0.034 1.00 0.79 H new ATOM 0 HB3 PRO A 52 4.198 -9.935 0.333 1.00 0.79 H new ATOM 0 HG2 PRO A 52 5.740 -12.301 1.491 1.00 0.81 H new ATOM 0 HG3 PRO A 52 4.639 -11.217 2.317 1.00 0.81 H new ATOM 0 HD2 PRO A 52 3.846 -13.700 1.383 1.00 0.69 H new ATOM 0 HD3 PRO A 52 2.728 -12.362 1.555 1.00 0.69 H new ATOM 779 N ALA A 53 5.347 -13.460 -2.391 1.00 0.71 N ATOM 780 CA ALA A 53 6.416 -14.281 -2.960 1.00 0.85 C ATOM 781 C ALA A 53 5.894 -15.203 -4.052 1.00 0.99 C ATOM 782 O ALA A 53 6.446 -16.271 -4.302 1.00 1.52 O ATOM 783 CB ALA A 53 7.091 -15.107 -1.863 1.00 0.88 C ATOM 0 H ALA A 53 4.407 -13.793 -2.607 1.00 0.71 H new ATOM 0 HA ALA A 53 7.146 -13.607 -3.408 1.00 0.85 H new ATOM 0 HB1 ALA A 53 7.884 -15.713 -2.300 1.00 0.88 H new ATOM 0 HB2 ALA A 53 7.516 -14.439 -1.114 1.00 0.88 H new ATOM 0 HB3 ALA A 53 6.354 -15.758 -1.392 1.00 0.88 H new ATOM 789 N GLU A 54 4.840 -14.739 -4.714 1.00 0.72 N ATOM 790 CA GLU A 54 4.191 -15.405 -5.821 1.00 0.84 C ATOM 791 C GLU A 54 3.608 -14.345 -6.749 1.00 0.85 C ATOM 792 O GLU A 54 3.724 -14.449 -7.967 1.00 1.00 O ATOM 793 CB GLU A 54 3.072 -16.326 -5.320 1.00 0.83 C ATOM 794 CG GLU A 54 3.600 -17.626 -4.697 1.00 0.87 C ATOM 795 CD GLU A 54 2.651 -18.792 -4.952 1.00 0.88 C ATOM 796 OE1 GLU A 54 1.439 -18.589 -4.739 1.00 1.76 O ATOM 797 OE2 GLU A 54 3.145 -19.847 -5.405 1.00 1.77 O ATOM 0 H GLU A 54 4.401 -13.849 -4.478 1.00 0.72 H new ATOM 0 HA GLU A 54 4.920 -16.016 -6.353 1.00 0.84 H new ATOM 0 HB2 GLU A 54 2.473 -15.793 -4.582 1.00 0.83 H new ATOM 0 HB3 GLU A 54 2.410 -16.570 -6.151 1.00 0.83 H new ATOM 0 HG2 GLU A 54 4.582 -17.857 -5.111 1.00 0.87 H new ATOM 0 HG3 GLU A 54 3.731 -17.490 -3.623 1.00 0.87 H new ATOM 804 N THR A 55 2.952 -13.333 -6.168 1.00 0.70 N ATOM 805 CA THR A 55 2.161 -12.375 -6.887 1.00 0.64 C ATOM 806 C THR A 55 2.856 -11.020 -6.777 1.00 0.68 C ATOM 807 O THR A 55 3.683 -10.695 -7.623 1.00 0.84 O ATOM 808 CB THR A 55 0.777 -12.478 -6.255 1.00 0.54 C ATOM 809 OG1 THR A 55 0.231 -13.750 -6.549 1.00 0.64 O ATOM 810 CG2 THR A 55 -0.175 -11.432 -6.776 1.00 0.57 C ATOM 0 H THR A 55 2.968 -13.170 -5.161 1.00 0.70 H new ATOM 0 HA THR A 55 2.054 -12.541 -7.959 1.00 0.64 H new ATOM 0 HB THR A 55 0.899 -12.326 -5.183 1.00 0.54 H new ATOM 0 HG1 THR A 55 -0.659 -13.826 -6.145 1.00 0.64 H new ATOM 0 HG21 THR A 55 -1.145 -11.550 -6.293 1.00 0.57 H new ATOM 0 HG22 THR A 55 0.220 -10.440 -6.558 1.00 0.57 H new ATOM 0 HG23 THR A 55 -0.289 -11.548 -7.854 1.00 0.57 H new ATOM 818 N GLY A 56 2.566 -10.243 -5.727 1.00 0.61 N ATOM 819 CA GLY A 56 3.242 -8.984 -5.480 1.00 0.66 C ATOM 820 C GLY A 56 2.239 -7.849 -5.590 1.00 0.62 C ATOM 821 O GLY A 56 1.545 -7.730 -6.594 1.00 0.63 O ATOM 0 H GLY A 56 1.857 -10.477 -5.032 1.00 0.61 H new ATOM 0 HA2 GLY A 56 3.696 -8.989 -4.489 1.00 0.66 H new ATOM 0 HA3 GLY A 56 4.049 -8.843 -6.199 1.00 0.66 H new ATOM 825 N THR A 57 2.166 -7.027 -4.541 1.00 0.61 N ATOM 826 CA THR A 57 1.298 -5.847 -4.435 1.00 0.60 C ATOM 827 C THR A 57 1.120 -5.104 -5.767 1.00 0.65 C ATOM 828 O THR A 57 0.000 -4.794 -6.168 1.00 0.63 O ATOM 829 CB THR A 57 1.770 -4.920 -3.305 1.00 0.67 C ATOM 830 OG1 THR A 57 0.832 -3.898 -3.051 1.00 0.81 O ATOM 831 CG2 THR A 57 3.132 -4.299 -3.584 1.00 0.82 C ATOM 0 H THR A 57 2.733 -7.170 -3.705 1.00 0.61 H new ATOM 0 HA THR A 57 0.303 -6.208 -4.176 1.00 0.60 H new ATOM 0 HB THR A 57 1.863 -5.552 -2.422 1.00 0.67 H new ATOM 0 HG1 THR A 57 1.160 -3.326 -2.326 1.00 0.81 H new ATOM 0 HG21 THR A 57 3.415 -3.654 -2.752 1.00 0.82 H new ATOM 0 HG22 THR A 57 3.875 -5.088 -3.700 1.00 0.82 H new ATOM 0 HG23 THR A 57 3.083 -3.710 -4.500 1.00 0.82 H new ATOM 839 N ALA A 58 2.224 -4.864 -6.477 1.00 0.73 N ATOM 840 CA ALA A 58 2.199 -4.149 -7.743 1.00 0.78 C ATOM 841 C ALA A 58 1.271 -4.838 -8.748 1.00 0.71 C ATOM 842 O ALA A 58 0.504 -4.181 -9.442 1.00 0.68 O ATOM 843 CB ALA A 58 3.621 -4.022 -8.291 1.00 0.94 C ATOM 0 H ALA A 58 3.156 -5.161 -6.187 1.00 0.73 H new ATOM 0 HA ALA A 58 1.801 -3.148 -7.575 1.00 0.78 H new ATOM 0 HB1 ALA A 58 3.599 -3.486 -9.240 1.00 0.94 H new ATOM 0 HB2 ALA A 58 4.238 -3.474 -7.579 1.00 0.94 H new ATOM 0 HB3 ALA A 58 4.041 -5.016 -8.446 1.00 0.94 H new ATOM 849 N ALA A 59 1.295 -6.170 -8.806 1.00 0.70 N ATOM 850 CA ALA A 59 0.411 -6.917 -9.687 1.00 0.70 C ATOM 851 C ALA A 59 -1.044 -6.820 -9.229 1.00 0.58 C ATOM 852 O ALA A 59 -1.966 -6.878 -10.042 1.00 0.65 O ATOM 853 CB ALA A 59 0.831 -8.376 -9.709 1.00 0.78 C ATOM 0 H ALA A 59 1.921 -6.751 -8.249 1.00 0.70 H new ATOM 0 HA ALA A 59 0.487 -6.487 -10.686 1.00 0.70 H new ATOM 0 HB1 ALA A 59 0.168 -8.935 -10.369 1.00 0.78 H new ATOM 0 HB2 ALA A 59 1.856 -8.454 -10.072 1.00 0.78 H new ATOM 0 HB3 ALA A 59 0.771 -8.787 -8.701 1.00 0.78 H new ATOM 859 N ILE A 60 -1.259 -6.703 -7.917 1.00 0.47 N ATOM 860 CA ILE A 60 -2.595 -6.553 -7.365 1.00 0.43 C ATOM 861 C ILE A 60 -3.158 -5.228 -7.868 1.00 0.41 C ATOM 862 O ILE A 60 -4.202 -5.200 -8.523 1.00 0.42 O ATOM 863 CB ILE A 60 -2.570 -6.607 -5.825 1.00 0.46 C ATOM 864 CG1 ILE A 60 -1.709 -7.733 -5.240 1.00 0.63 C ATOM 865 CG2 ILE A 60 -3.972 -6.701 -5.230 1.00 0.39 C ATOM 866 CD1 ILE A 60 -2.179 -9.152 -5.540 1.00 0.57 C ATOM 0 H ILE A 60 -0.516 -6.710 -7.218 1.00 0.47 H new ATOM 0 HA ILE A 60 -3.232 -7.375 -7.691 1.00 0.43 H new ATOM 0 HB ILE A 60 -2.106 -5.662 -5.542 1.00 0.46 H new ATOM 0 HG12 ILE A 60 -0.692 -7.620 -5.616 1.00 0.63 H new ATOM 0 HG13 ILE A 60 -1.665 -7.606 -4.158 1.00 0.63 H new ATOM 0 HG21 ILE A 60 -3.904 -6.737 -4.143 1.00 0.39 H new ATOM 0 HG22 ILE A 60 -4.553 -5.829 -5.529 1.00 0.39 H new ATOM 0 HG23 ILE A 60 -4.461 -7.605 -5.593 1.00 0.39 H new ATOM 0 HD11 ILE A 60 -1.497 -9.866 -5.078 1.00 0.57 H new ATOM 0 HD12 ILE A 60 -3.182 -9.296 -5.138 1.00 0.57 H new ATOM 0 HD13 ILE A 60 -2.194 -9.310 -6.618 1.00 0.57 H new ATOM 878 N GLN A 61 -2.430 -4.134 -7.606 1.00 0.44 N ATOM 879 CA GLN A 61 -2.856 -2.816 -8.061 1.00 0.49 C ATOM 880 C GLN A 61 -2.984 -2.821 -9.588 1.00 0.49 C ATOM 881 O GLN A 61 -3.960 -2.303 -10.128 1.00 0.50 O ATOM 882 CB GLN A 61 -1.988 -1.681 -7.475 1.00 0.64 C ATOM 883 CG GLN A 61 -0.685 -1.363 -8.220 1.00 0.82 C ATOM 884 CD GLN A 61 0.132 -0.264 -7.550 1.00 1.22 C ATOM 885 OE1 GLN A 61 1.188 -0.515 -6.972 1.00 2.19 O ATOM 886 NE2 GLN A 61 -0.334 0.974 -7.636 1.00 1.22 N ATOM 0 H GLN A 61 -1.553 -4.141 -7.086 1.00 0.44 H new ATOM 0 HA GLN A 61 -3.848 -2.594 -7.668 1.00 0.49 H new ATOM 0 HB2 GLN A 61 -2.591 -0.774 -7.439 1.00 0.64 H new ATOM 0 HB3 GLN A 61 -1.739 -1.939 -6.446 1.00 0.64 H new ATOM 0 HG2 GLN A 61 -0.081 -2.268 -8.286 1.00 0.82 H new ATOM 0 HG3 GLN A 61 -0.921 -1.062 -9.241 1.00 0.82 H new ATOM 0 HE21 GLN A 61 -1.213 1.156 -8.121 1.00 1.22 H new ATOM 0 HE22 GLN A 61 0.186 1.745 -7.217 1.00 1.22 H new ATOM 895 N GLU A 62 -2.048 -3.484 -10.280 1.00 0.54 N ATOM 896 CA GLU A 62 -2.110 -3.621 -11.724 1.00 0.62 C ATOM 897 C GLU A 62 -3.444 -4.245 -12.131 1.00 0.59 C ATOM 898 O GLU A 62 -4.056 -3.801 -13.099 1.00 0.61 O ATOM 899 CB GLU A 62 -0.932 -4.475 -12.208 1.00 0.77 C ATOM 900 CG GLU A 62 -0.876 -4.665 -13.726 1.00 0.97 C ATOM 901 CD GLU A 62 0.019 -5.833 -14.105 1.00 1.55 C ATOM 902 OE1 GLU A 62 1.033 -6.046 -13.413 1.00 2.18 O ATOM 903 OE2 GLU A 62 -0.403 -6.577 -15.019 1.00 2.47 O ATOM 0 H GLU A 62 -1.238 -3.933 -9.852 1.00 0.54 H new ATOM 0 HA GLU A 62 -2.040 -2.638 -12.190 1.00 0.62 H new ATOM 0 HB2 GLU A 62 -0.002 -4.013 -11.877 1.00 0.77 H new ATOM 0 HB3 GLU A 62 -0.988 -5.454 -11.732 1.00 0.77 H new ATOM 0 HG2 GLU A 62 -1.882 -4.835 -14.110 1.00 0.97 H new ATOM 0 HG3 GLU A 62 -0.506 -3.753 -14.195 1.00 0.97 H new ATOM 910 N LYS A 63 -3.910 -5.292 -11.441 1.00 0.57 N ATOM 911 CA LYS A 63 -5.103 -5.969 -11.899 1.00 0.57 C ATOM 912 C LYS A 63 -6.293 -5.027 -11.762 1.00 0.50 C ATOM 913 O LYS A 63 -7.076 -4.925 -12.696 1.00 0.51 O ATOM 914 CB LYS A 63 -5.296 -7.306 -11.178 1.00 0.66 C ATOM 915 CG LYS A 63 -5.193 -8.521 -12.113 1.00 0.73 C ATOM 916 CD LYS A 63 -3.759 -8.925 -12.491 1.00 1.53 C ATOM 917 CE LYS A 63 -3.070 -7.977 -13.484 1.00 1.69 C ATOM 918 NZ LYS A 63 -1.787 -8.515 -13.982 1.00 3.00 N ATOM 0 H LYS A 63 -3.488 -5.671 -10.593 1.00 0.57 H new ATOM 0 HA LYS A 63 -5.004 -6.225 -12.954 1.00 0.57 H new ATOM 0 HB2 LYS A 63 -4.548 -7.398 -10.391 1.00 0.66 H new ATOM 0 HB3 LYS A 63 -6.272 -7.312 -10.692 1.00 0.66 H new ATOM 0 HG2 LYS A 63 -5.681 -9.371 -11.636 1.00 0.73 H new ATOM 0 HG3 LYS A 63 -5.748 -8.307 -13.027 1.00 0.73 H new ATOM 0 HD2 LYS A 63 -3.159 -8.978 -11.583 1.00 1.53 H new ATOM 0 HD3 LYS A 63 -3.778 -9.927 -12.919 1.00 1.53 H new ATOM 0 HE2 LYS A 63 -3.735 -7.793 -14.328 1.00 1.69 H new ATOM 0 HE3 LYS A 63 -2.894 -7.016 -13.001 1.00 1.69 H new ATOM 0 HZ1 LYS A 63 -1.379 -7.854 -14.674 1.00 3.00 H new ATOM 0 HZ2 LYS A 63 -1.128 -8.634 -13.186 1.00 3.00 H new ATOM 0 HZ3 LYS A 63 -1.950 -9.436 -14.437 1.00 3.00 H new ATOM 932 N ILE A 64 -6.405 -4.299 -10.648 1.00 0.45 N ATOM 933 CA ILE A 64 -7.444 -3.284 -10.484 1.00 0.44 C ATOM 934 C ILE A 64 -7.447 -2.345 -11.699 1.00 0.43 C ATOM 935 O ILE A 64 -8.494 -2.141 -12.320 1.00 0.44 O ATOM 936 CB ILE A 64 -7.237 -2.539 -9.150 1.00 0.44 C ATOM 937 CG1 ILE A 64 -7.338 -3.544 -7.983 1.00 0.48 C ATOM 938 CG2 ILE A 64 -8.296 -1.448 -8.969 1.00 0.46 C ATOM 939 CD1 ILE A 64 -7.053 -2.934 -6.609 1.00 0.66 C ATOM 0 H ILE A 64 -5.785 -4.396 -9.844 1.00 0.45 H new ATOM 0 HA ILE A 64 -8.428 -3.751 -10.439 1.00 0.44 H new ATOM 0 HB ILE A 64 -6.252 -2.073 -9.160 1.00 0.44 H new ATOM 0 HG12 ILE A 64 -8.338 -3.978 -7.976 1.00 0.48 H new ATOM 0 HG13 ILE A 64 -6.638 -4.361 -8.159 1.00 0.48 H new ATOM 0 HG21 ILE A 64 -8.131 -0.935 -8.022 1.00 0.46 H new ATOM 0 HG22 ILE A 64 -8.224 -0.731 -9.787 1.00 0.46 H new ATOM 0 HG23 ILE A 64 -9.288 -1.900 -8.969 1.00 0.46 H new ATOM 0 HD11 ILE A 64 -7.144 -3.704 -5.843 1.00 0.66 H new ATOM 0 HD12 ILE A 64 -6.042 -2.526 -6.595 1.00 0.66 H new ATOM 0 HD13 ILE A 64 -7.769 -2.137 -6.409 1.00 0.66 H new ATOM 951 N GLU A 65 -6.272 -1.828 -12.075 1.00 0.44 N ATOM 952 CA GLU A 65 -6.174 -0.979 -13.255 1.00 0.51 C ATOM 953 C GLU A 65 -6.683 -1.687 -14.505 1.00 0.57 C ATOM 954 O GLU A 65 -7.529 -1.163 -15.223 1.00 0.59 O ATOM 955 CB GLU A 65 -4.738 -0.528 -13.498 1.00 0.77 C ATOM 956 CG GLU A 65 -4.145 0.337 -12.386 1.00 0.98 C ATOM 957 CD GLU A 65 -2.799 0.889 -12.842 1.00 1.60 C ATOM 958 OE1 GLU A 65 -2.276 0.341 -13.846 1.00 2.55 O ATOM 959 OE2 GLU A 65 -2.316 1.833 -12.194 1.00 1.75 O ATOM 0 H GLU A 65 -5.391 -1.982 -11.584 1.00 0.44 H new ATOM 0 HA GLU A 65 -6.800 -0.109 -13.059 1.00 0.51 H new ATOM 0 HB2 GLU A 65 -4.111 -1.410 -13.627 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -4.700 0.030 -14.434 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -4.824 1.155 -12.144 1.00 0.98 H new ATOM 0 HG3 GLU A 65 -4.021 -0.253 -11.478 1.00 0.98 H new ATOM 966 N LYS A 66 -6.141 -2.869 -14.791 1.00 0.61 N ATOM 967 CA LYS A 66 -6.415 -3.568 -16.036 1.00 0.65 C ATOM 968 C LYS A 66 -7.854 -4.101 -16.086 1.00 0.69 C ATOM 969 O LYS A 66 -8.399 -4.291 -17.170 1.00 0.83 O ATOM 970 CB LYS A 66 -5.347 -4.636 -16.300 1.00 0.66 C ATOM 971 CG LYS A 66 -4.142 -4.036 -17.049 1.00 0.89 C ATOM 972 CD LYS A 66 -3.179 -3.226 -16.162 1.00 1.90 C ATOM 973 CE LYS A 66 -2.627 -1.951 -16.814 1.00 3.07 C ATOM 974 NZ LYS A 66 -1.795 -1.160 -15.873 1.00 4.19 N ATOM 0 H LYS A 66 -5.503 -3.364 -14.167 1.00 0.61 H new ATOM 0 HA LYS A 66 -6.349 -2.857 -16.859 1.00 0.65 H new ATOM 0 HB2 LYS A 66 -5.015 -5.066 -15.355 1.00 0.66 H new ATOM 0 HB3 LYS A 66 -5.777 -5.448 -16.886 1.00 0.66 H new ATOM 0 HG2 LYS A 66 -3.586 -4.844 -17.524 1.00 0.89 H new ATOM 0 HG3 LYS A 66 -4.510 -3.391 -17.847 1.00 0.89 H new ATOM 0 HD2 LYS A 66 -3.696 -2.953 -15.242 1.00 1.90 H new ATOM 0 HD3 LYS A 66 -2.342 -3.865 -15.879 1.00 1.90 H new ATOM 0 HE2 LYS A 66 -2.032 -2.219 -17.687 1.00 3.07 H new ATOM 0 HE3 LYS A 66 -3.455 -1.338 -17.169 1.00 3.07 H new ATOM 0 HZ1 LYS A 66 -1.428 -0.316 -16.359 1.00 4.19 H new ATOM 0 HZ2 LYS A 66 -2.374 -0.867 -15.060 1.00 4.19 H new ATOM 0 HZ3 LYS A 66 -0.999 -1.741 -15.540 1.00 4.19 H new ATOM 988 N LEU A 67 -8.493 -4.294 -14.928 1.00 0.59 N ATOM 989 CA LEU A 67 -9.920 -4.562 -14.832 1.00 0.60 C ATOM 990 C LEU A 67 -10.753 -3.299 -15.102 1.00 0.61 C ATOM 991 O LEU A 67 -11.967 -3.397 -15.258 1.00 0.67 O ATOM 992 CB LEU A 67 -10.229 -5.170 -13.459 1.00 0.55 C ATOM 993 CG LEU A 67 -10.199 -6.710 -13.491 1.00 0.63 C ATOM 994 CD1 LEU A 67 -9.241 -7.259 -12.439 1.00 1.65 C ATOM 995 CD2 LEU A 67 -11.610 -7.257 -13.268 1.00 2.09 C ATOM 0 H LEU A 67 -8.023 -4.267 -14.023 1.00 0.59 H new ATOM 0 HA LEU A 67 -10.199 -5.280 -15.603 1.00 0.60 H new ATOM 0 HB2 LEU A 67 -9.503 -4.808 -12.730 1.00 0.55 H new ATOM 0 HB3 LEU A 67 -11.211 -4.833 -13.126 1.00 0.55 H new ATOM 0 HG LEU A 67 -9.841 -7.032 -14.469 1.00 0.63 H new ATOM 0 HD11 LEU A 67 -9.238 -8.348 -12.482 1.00 1.65 H new ATOM 0 HD12 LEU A 67 -8.235 -6.886 -12.632 1.00 1.65 H new ATOM 0 HD13 LEU A 67 -9.564 -6.936 -11.449 1.00 1.65 H new ATOM 0 HD21 LEU A 67 -11.586 -8.346 -13.291 1.00 2.09 H new ATOM 0 HD22 LEU A 67 -11.981 -6.923 -12.299 1.00 2.09 H new ATOM 0 HD23 LEU A 67 -12.270 -6.892 -14.055 1.00 2.09 H new ATOM 1007 N GLY A 68 -10.120 -2.124 -15.177 1.00 0.58 N ATOM 1008 CA GLY A 68 -10.767 -0.867 -15.515 1.00 0.60 C ATOM 1009 C GLY A 68 -11.298 -0.162 -14.272 1.00 0.57 C ATOM 1010 O GLY A 68 -12.348 0.475 -14.331 1.00 0.60 O ATOM 0 H GLY A 68 -9.120 -2.026 -14.999 1.00 0.58 H new ATOM 0 HA2 GLY A 68 -10.058 -0.218 -16.028 1.00 0.60 H new ATOM 0 HA3 GLY A 68 -11.588 -1.053 -16.208 1.00 0.60 H new ATOM 1014 N TYR A 69 -10.571 -0.254 -13.155 1.00 0.57 N ATOM 1015 CA TYR A 69 -10.896 0.435 -11.915 1.00 0.54 C ATOM 1016 C TYR A 69 -9.667 1.220 -11.469 1.00 0.59 C ATOM 1017 O TYR A 69 -8.549 0.855 -11.816 1.00 1.04 O ATOM 1018 CB TYR A 69 -11.317 -0.600 -10.871 1.00 0.56 C ATOM 1019 CG TYR A 69 -12.502 -1.437 -11.304 1.00 0.59 C ATOM 1020 CD1 TYR A 69 -13.767 -0.842 -11.449 1.00 1.65 C ATOM 1021 CD2 TYR A 69 -12.313 -2.773 -11.692 1.00 1.93 C ATOM 1022 CE1 TYR A 69 -14.833 -1.572 -12.000 1.00 1.64 C ATOM 1023 CE2 TYR A 69 -13.396 -3.522 -12.185 1.00 2.06 C ATOM 1024 CZ TYR A 69 -14.636 -2.906 -12.395 1.00 0.93 C ATOM 1025 OH TYR A 69 -15.644 -3.621 -12.967 1.00 1.19 O ATOM 0 H TYR A 69 -9.726 -0.821 -13.092 1.00 0.57 H new ATOM 0 HA TYR A 69 -11.723 1.132 -12.050 1.00 0.54 H new ATOM 0 HB2 TYR A 69 -10.474 -1.258 -10.660 1.00 0.56 H new ATOM 0 HB3 TYR A 69 -11.563 -0.088 -9.940 1.00 0.56 H new ATOM 0 HD1 TYR A 69 -13.920 0.180 -11.136 1.00 1.65 H new ATOM 0 HD2 TYR A 69 -11.336 -3.225 -11.612 1.00 1.93 H new ATOM 0 HE1 TYR A 69 -15.801 -1.109 -12.120 1.00 1.64 H new ATOM 0 HE2 TYR A 69 -13.272 -4.573 -12.402 1.00 2.06 H new ATOM 0 HH TYR A 69 -16.493 -3.394 -12.534 1.00 1.19 H new ATOM 1035 N HIS A 70 -9.862 2.310 -10.725 1.00 0.40 N ATOM 1036 CA HIS A 70 -8.772 3.175 -10.289 1.00 0.43 C ATOM 1037 C HIS A 70 -8.575 2.993 -8.788 1.00 0.45 C ATOM 1038 O HIS A 70 -9.545 2.773 -8.067 1.00 0.53 O ATOM 1039 CB HIS A 70 -9.094 4.630 -10.652 1.00 0.49 C ATOM 1040 CG HIS A 70 -7.910 5.412 -11.162 1.00 0.72 C ATOM 1041 ND1 HIS A 70 -7.210 6.385 -10.482 1.00 2.46 N ATOM 1042 CD2 HIS A 70 -7.422 5.366 -12.441 1.00 1.34 C ATOM 1043 CE1 HIS A 70 -6.320 6.912 -11.343 1.00 2.47 C ATOM 1044 NE2 HIS A 70 -6.413 6.326 -12.547 1.00 1.37 N ATOM 0 H HIS A 70 -10.782 2.616 -10.409 1.00 0.40 H new ATOM 0 HA HIS A 70 -7.842 2.910 -10.793 1.00 0.43 H new ATOM 0 HB2 HIS A 70 -9.877 4.640 -11.411 1.00 0.49 H new ATOM 0 HB3 HIS A 70 -9.497 5.132 -9.772 1.00 0.49 H new ATOM 0 HD2 HIS A 70 -7.757 4.706 -13.227 1.00 1.34 H new ATOM 0 HE1 HIS A 70 -5.624 7.701 -11.098 1.00 2.47 H new ATOM 0 HE2 HIS A 70 -5.857 6.539 -13.375 1.00 1.37 H new ATOM 1052 N VAL A 71 -7.329 3.074 -8.323 1.00 0.56 N ATOM 1053 CA VAL A 71 -6.984 2.935 -6.918 1.00 0.65 C ATOM 1054 C VAL A 71 -6.969 4.320 -6.267 1.00 0.60 C ATOM 1055 O VAL A 71 -6.461 5.276 -6.854 1.00 0.58 O ATOM 1056 CB VAL A 71 -5.640 2.196 -6.787 1.00 0.84 C ATOM 1057 CG1 VAL A 71 -5.770 0.749 -7.277 1.00 0.95 C ATOM 1058 CG2 VAL A 71 -4.483 2.871 -7.539 1.00 0.88 C ATOM 0 H VAL A 71 -6.522 3.241 -8.925 1.00 0.56 H new ATOM 0 HA VAL A 71 -7.727 2.336 -6.393 1.00 0.65 H new ATOM 0 HB VAL A 71 -5.397 2.225 -5.725 1.00 0.84 H new ATOM 0 HG11 VAL A 71 -4.810 0.243 -7.176 1.00 0.95 H new ATOM 0 HG12 VAL A 71 -6.519 0.228 -6.680 1.00 0.95 H new ATOM 0 HG13 VAL A 71 -6.074 0.745 -8.324 1.00 0.95 H new ATOM 0 HG21 VAL A 71 -3.571 2.291 -7.399 1.00 0.88 H new ATOM 0 HG22 VAL A 71 -4.720 2.922 -8.602 1.00 0.88 H new ATOM 0 HG23 VAL A 71 -4.336 3.879 -7.151 1.00 0.88 H new ATOM 1068 N VAL A 72 -7.518 4.443 -5.056 1.00 0.64 N ATOM 1069 CA VAL A 72 -7.508 5.689 -4.307 1.00 0.66 C ATOM 1070 C VAL A 72 -6.198 5.712 -3.520 1.00 0.75 C ATOM 1071 O VAL A 72 -6.164 5.340 -2.348 1.00 1.16 O ATOM 1072 CB VAL A 72 -8.748 5.757 -3.400 1.00 0.75 C ATOM 1073 CG1 VAL A 72 -8.807 7.077 -2.618 1.00 0.86 C ATOM 1074 CG2 VAL A 72 -10.051 5.602 -4.195 1.00 0.72 C ATOM 0 H VAL A 72 -7.982 3.675 -4.571 1.00 0.64 H new ATOM 0 HA VAL A 72 -7.556 6.565 -4.954 1.00 0.66 H new ATOM 0 HB VAL A 72 -8.653 4.925 -2.703 1.00 0.75 H new ATOM 0 HG11 VAL A 72 -9.697 7.088 -1.989 1.00 0.86 H new ATOM 0 HG12 VAL A 72 -7.919 7.169 -1.993 1.00 0.86 H new ATOM 0 HG13 VAL A 72 -8.847 7.912 -3.317 1.00 0.86 H new ATOM 0 HG21 VAL A 72 -10.901 5.656 -3.515 1.00 0.72 H new ATOM 0 HG22 VAL A 72 -10.125 6.401 -4.932 1.00 0.72 H new ATOM 0 HG23 VAL A 72 -10.054 4.638 -4.704 1.00 0.72 H new ATOM 1084 N THR A 73 -5.111 6.100 -4.190 1.00 0.60 N ATOM 1085 CA THR A 73 -3.766 6.044 -3.633 1.00 0.65 C ATOM 1086 C THR A 73 -2.997 7.265 -4.116 1.00 0.66 C ATOM 1087 O THR A 73 -3.126 7.614 -5.288 1.00 0.72 O ATOM 1088 CB THR A 73 -3.067 4.746 -4.071 1.00 0.82 C ATOM 1089 OG1 THR A 73 -4.012 3.737 -4.351 1.00 1.01 O ATOM 1090 CG2 THR A 73 -2.156 4.241 -2.961 1.00 0.90 C ATOM 0 H THR A 73 -5.144 6.464 -5.142 1.00 0.60 H new ATOM 0 HA THR A 73 -3.807 6.047 -2.544 1.00 0.65 H new ATOM 0 HB THR A 73 -2.489 4.969 -4.968 1.00 0.82 H new ATOM 0 HG1 THR A 73 -3.587 3.028 -4.877 1.00 1.01 H new ATOM 0 HG21 THR A 73 -1.666 3.322 -3.282 1.00 0.90 H new ATOM 0 HG22 THR A 73 -1.401 4.995 -2.738 1.00 0.90 H new ATOM 0 HG23 THR A 73 -2.747 4.044 -2.067 1.00 0.90 H new ATOM 1098 N GLU A 74 -2.238 7.914 -3.227 1.00 0.66 N ATOM 1099 CA GLU A 74 -1.476 9.109 -3.549 1.00 0.71 C ATOM 1100 C GLU A 74 -0.033 8.970 -3.073 1.00 0.61 C ATOM 1101 O GLU A 74 0.225 8.446 -1.987 1.00 0.56 O ATOM 1102 CB GLU A 74 -2.131 10.347 -2.921 1.00 0.81 C ATOM 1103 CG GLU A 74 -3.458 10.715 -3.604 1.00 1.52 C ATOM 1104 CD GLU A 74 -3.284 11.168 -5.054 1.00 2.70 C ATOM 1105 OE1 GLU A 74 -2.127 11.457 -5.437 1.00 3.27 O ATOM 1106 OE2 GLU A 74 -4.324 11.243 -5.742 1.00 3.65 O ATOM 0 H GLU A 74 -2.139 7.616 -2.257 1.00 0.66 H new ATOM 0 HA GLU A 74 -1.470 9.232 -4.632 1.00 0.71 H new ATOM 0 HB2 GLU A 74 -2.309 10.163 -1.862 1.00 0.81 H new ATOM 0 HB3 GLU A 74 -1.445 11.191 -2.987 1.00 0.81 H new ATOM 0 HG2 GLU A 74 -4.124 9.853 -3.577 1.00 1.52 H new ATOM 0 HG3 GLU A 74 -3.943 11.510 -3.037 1.00 1.52 H new ATOM 1113 N LYS A 75 0.877 9.481 -3.906 1.00 0.66 N ATOM 1114 CA LYS A 75 2.316 9.572 -3.696 1.00 0.72 C ATOM 1115 C LYS A 75 2.624 10.829 -2.888 1.00 0.69 C ATOM 1116 O LYS A 75 2.975 11.871 -3.436 1.00 0.81 O ATOM 1117 CB LYS A 75 3.058 9.456 -5.041 1.00 0.90 C ATOM 1118 CG LYS A 75 2.730 10.547 -6.067 1.00 0.95 C ATOM 1119 CD LYS A 75 3.262 10.177 -7.454 1.00 1.13 C ATOM 1120 CE LYS A 75 2.829 11.254 -8.459 1.00 2.03 C ATOM 1121 NZ LYS A 75 3.378 11.012 -9.809 1.00 2.68 N ATOM 0 H LYS A 75 0.603 9.869 -4.809 1.00 0.66 H new ATOM 0 HA LYS A 75 2.686 8.736 -3.102 1.00 0.72 H new ATOM 0 HB2 LYS A 75 4.131 9.473 -4.848 1.00 0.90 H new ATOM 0 HB3 LYS A 75 2.828 8.486 -5.481 1.00 0.90 H new ATOM 0 HG2 LYS A 75 1.651 10.693 -6.115 1.00 0.95 H new ATOM 0 HG3 LYS A 75 3.166 11.494 -5.748 1.00 0.95 H new ATOM 0 HD2 LYS A 75 4.349 10.098 -7.432 1.00 1.13 H new ATOM 0 HD3 LYS A 75 2.878 9.203 -7.757 1.00 1.13 H new ATOM 0 HE2 LYS A 75 1.741 11.283 -8.511 1.00 2.03 H new ATOM 0 HE3 LYS A 75 3.157 12.231 -8.105 1.00 2.03 H new ATOM 0 HZ1 LYS A 75 3.059 11.764 -10.453 1.00 2.68 H new ATOM 0 HZ2 LYS A 75 4.417 11.010 -9.766 1.00 2.68 H new ATOM 0 HZ3 LYS A 75 3.045 10.091 -10.159 1.00 2.68 H new ATOM 1135 N ALA A 76 2.490 10.733 -1.565 1.00 0.64 N ATOM 1136 CA ALA A 76 2.813 11.849 -0.693 1.00 0.69 C ATOM 1137 C ALA A 76 4.317 11.827 -0.438 1.00 0.74 C ATOM 1138 O ALA A 76 4.914 10.766 -0.303 1.00 0.85 O ATOM 1139 CB ALA A 76 2.009 11.765 0.604 1.00 0.65 C ATOM 0 H ALA A 76 2.162 9.897 -1.081 1.00 0.64 H new ATOM 0 HA ALA A 76 2.545 12.795 -1.162 1.00 0.69 H new ATOM 0 HB1 ALA A 76 2.264 12.609 1.245 1.00 0.65 H new ATOM 0 HB2 ALA A 76 0.944 11.792 0.374 1.00 0.65 H new ATOM 0 HB3 ALA A 76 2.245 10.834 1.119 1.00 0.65 H new ATOM 1145 N GLU A 77 4.941 12.998 -0.411 1.00 0.78 N ATOM 1146 CA GLU A 77 6.381 13.152 -0.319 1.00 0.87 C ATOM 1147 C GLU A 77 6.758 13.398 1.141 1.00 0.64 C ATOM 1148 O GLU A 77 6.475 14.467 1.693 1.00 0.67 O ATOM 1149 CB GLU A 77 6.775 14.320 -1.244 1.00 1.28 C ATOM 1150 CG GLU A 77 7.543 13.846 -2.484 1.00 1.36 C ATOM 1151 CD GLU A 77 9.018 13.816 -2.154 1.00 1.90 C ATOM 1152 OE1 GLU A 77 9.442 12.923 -1.385 1.00 3.31 O ATOM 1153 OE2 GLU A 77 9.699 14.818 -2.466 1.00 2.53 O ATOM 0 H GLU A 77 4.444 13.888 -0.454 1.00 0.78 H new ATOM 0 HA GLU A 77 6.919 12.260 -0.640 1.00 0.87 H new ATOM 0 HB2 GLU A 77 5.877 14.852 -1.557 1.00 1.28 H new ATOM 0 HB3 GLU A 77 7.388 15.030 -0.689 1.00 1.28 H new ATOM 0 HG2 GLU A 77 7.202 12.855 -2.785 1.00 1.36 H new ATOM 0 HG3 GLU A 77 7.356 14.516 -3.324 1.00 1.36 H new ATOM 1160 N PHE A 78 7.376 12.401 1.781 1.00 0.54 N ATOM 1161 CA PHE A 78 7.825 12.476 3.161 1.00 0.43 C ATOM 1162 C PHE A 78 9.353 12.603 3.188 1.00 0.45 C ATOM 1163 O PHE A 78 10.059 12.114 2.308 1.00 0.64 O ATOM 1164 CB PHE A 78 7.321 11.267 3.968 1.00 0.47 C ATOM 1165 CG PHE A 78 5.887 11.308 4.497 1.00 0.42 C ATOM 1166 CD1 PHE A 78 4.838 11.927 3.784 1.00 1.56 C ATOM 1167 CD2 PHE A 78 5.585 10.626 5.690 1.00 1.96 C ATOM 1168 CE1 PHE A 78 3.513 11.832 4.241 1.00 1.42 C ATOM 1169 CE2 PHE A 78 4.259 10.519 6.142 1.00 2.31 C ATOM 1170 CZ PHE A 78 3.219 11.104 5.404 1.00 1.15 C ATOM 0 H PHE A 78 7.579 11.504 1.339 1.00 0.54 H new ATOM 0 HA PHE A 78 7.403 13.360 3.639 1.00 0.43 H new ATOM 0 HB2 PHE A 78 7.421 10.381 3.341 1.00 0.47 H new ATOM 0 HB3 PHE A 78 7.988 11.132 4.819 1.00 0.47 H new ATOM 0 HD1 PHE A 78 5.055 12.478 2.881 1.00 1.56 H new ATOM 0 HD2 PHE A 78 6.382 10.179 6.265 1.00 1.96 H new ATOM 0 HE1 PHE A 78 2.719 12.320 3.696 1.00 1.42 H new ATOM 0 HE2 PHE A 78 4.041 9.987 7.056 1.00 2.31 H new ATOM 0 HZ PHE A 78 2.195 10.994 5.730 1.00 1.15 H new ATOM 1180 N ASP A 79 9.856 13.307 4.198 1.00 0.44 N ATOM 1181 CA ASP A 79 11.265 13.470 4.533 1.00 0.48 C ATOM 1182 C ASP A 79 11.608 12.543 5.713 1.00 0.51 C ATOM 1183 O ASP A 79 10.701 12.161 6.451 1.00 0.66 O ATOM 1184 CB ASP A 79 11.475 14.948 4.870 1.00 0.64 C ATOM 1185 CG ASP A 79 12.881 15.214 5.369 1.00 0.84 C ATOM 1186 OD1 ASP A 79 13.070 15.117 6.600 1.00 1.87 O ATOM 1187 OD2 ASP A 79 13.722 15.512 4.498 1.00 1.35 O ATOM 0 H ASP A 79 9.250 13.811 4.845 1.00 0.44 H new ATOM 0 HA ASP A 79 11.925 13.196 3.710 1.00 0.48 H new ATOM 0 HB2 ASP A 79 11.282 15.554 3.985 1.00 0.64 H new ATOM 0 HB3 ASP A 79 10.755 15.254 5.629 1.00 0.64 H new ATOM 1192 N ILE A 80 12.863 12.104 5.870 1.00 0.48 N ATOM 1193 CA ILE A 80 13.256 11.169 6.918 1.00 0.48 C ATOM 1194 C ILE A 80 14.430 11.733 7.719 1.00 0.55 C ATOM 1195 O ILE A 80 15.500 11.956 7.158 1.00 0.62 O ATOM 1196 CB ILE A 80 13.685 9.846 6.271 1.00 0.45 C ATOM 1197 CG1 ILE A 80 12.757 9.445 5.118 1.00 0.38 C ATOM 1198 CG2 ILE A 80 13.757 8.734 7.325 1.00 0.56 C ATOM 1199 CD1 ILE A 80 13.362 8.263 4.386 1.00 0.45 C ATOM 0 H ILE A 80 13.634 12.392 5.268 1.00 0.48 H new ATOM 0 HA ILE A 80 12.411 11.009 7.588 1.00 0.48 H new ATOM 0 HB ILE A 80 14.679 9.993 5.848 1.00 0.45 H new ATOM 0 HG12 ILE A 80 11.770 9.185 5.502 1.00 0.38 H new ATOM 0 HG13 ILE A 80 12.623 10.283 4.434 1.00 0.38 H new ATOM 0 HG21 ILE A 80 14.063 7.802 6.850 1.00 0.56 H new ATOM 0 HG22 ILE A 80 14.483 9.006 8.092 1.00 0.56 H new ATOM 0 HG23 ILE A 80 12.777 8.603 7.783 1.00 0.56 H new ATOM 0 HD11 ILE A 80 12.708 7.971 3.564 1.00 0.45 H new ATOM 0 HD12 ILE A 80 14.339 8.541 3.991 1.00 0.45 H new ATOM 0 HD13 ILE A 80 13.474 7.426 5.076 1.00 0.45 H new ATOM 1211 N GLU A 81 14.292 11.840 9.044 1.00 0.61 N ATOM 1212 CA GLU A 81 15.419 12.150 9.911 1.00 0.77 C ATOM 1213 C GLU A 81 15.783 10.835 10.614 1.00 0.97 C ATOM 1214 O GLU A 81 15.510 10.628 11.796 1.00 1.32 O ATOM 1215 CB GLU A 81 15.020 13.260 10.879 1.00 1.02 C ATOM 1216 CG GLU A 81 15.421 14.690 10.525 1.00 1.14 C ATOM 1217 CD GLU A 81 15.145 15.580 11.727 1.00 1.55 C ATOM 1218 OE1 GLU A 81 13.975 15.979 11.903 1.00 1.88 O ATOM 1219 OE2 GLU A 81 16.063 15.699 12.569 1.00 2.80 O ATOM 0 H GLU A 81 13.407 11.715 9.535 1.00 0.61 H new ATOM 0 HA GLU A 81 16.289 12.523 9.370 1.00 0.77 H new ATOM 0 HB2 GLU A 81 13.936 13.234 10.991 1.00 1.02 H new ATOM 0 HB3 GLU A 81 15.447 13.024 11.854 1.00 1.02 H new ATOM 0 HG2 GLU A 81 16.477 14.732 10.257 1.00 1.14 H new ATOM 0 HG3 GLU A 81 14.858 15.038 9.659 1.00 1.14 H new ATOM 1226 N GLY A 82 16.339 9.911 9.837 1.00 1.25 N ATOM 1227 CA GLY A 82 16.543 8.521 10.238 1.00 1.77 C ATOM 1228 C GLY A 82 17.771 7.894 9.586 1.00 1.45 C ATOM 1229 O GLY A 82 18.593 7.282 10.261 1.00 1.78 O ATOM 0 H GLY A 82 16.667 10.110 8.892 1.00 1.25 H new ATOM 0 HA2 GLY A 82 16.647 8.471 11.322 1.00 1.77 H new ATOM 0 HA3 GLY A 82 15.660 7.938 9.976 1.00 1.77 H new ATOM 1233 N MET A 83 17.872 8.028 8.261 1.00 1.16 N ATOM 1234 CA MET A 83 19.002 7.658 7.428 1.00 1.27 C ATOM 1235 C MET A 83 20.313 8.238 7.978 1.00 1.17 C ATOM 1236 O MET A 83 20.793 9.265 7.514 1.00 1.84 O ATOM 1237 CB MET A 83 18.664 8.129 6.003 1.00 1.67 C ATOM 1238 CG MET A 83 19.297 7.345 4.848 1.00 2.17 C ATOM 1239 SD MET A 83 20.917 7.835 4.190 1.00 3.85 S ATOM 1240 CE MET A 83 22.077 7.089 5.357 1.00 4.69 C ATOM 0 H MET A 83 17.110 8.426 7.712 1.00 1.16 H new ATOM 0 HA MET A 83 19.168 6.581 7.421 1.00 1.27 H new ATOM 0 HB2 MET A 83 17.581 8.097 5.882 1.00 1.67 H new ATOM 0 HB3 MET A 83 18.964 9.173 5.910 1.00 1.67 H new ATOM 0 HG2 MET A 83 19.379 6.307 5.169 1.00 2.17 H new ATOM 0 HG3 MET A 83 18.591 7.367 4.018 1.00 2.17 H new ATOM 0 HE1 MET A 83 22.620 7.874 5.883 1.00 4.69 H new ATOM 0 HE2 MET A 83 21.529 6.482 6.077 1.00 4.69 H new ATOM 0 HE3 MET A 83 22.784 6.460 4.816 1.00 4.69 H new ATOM 1285 N ALA A 87 21.285 0.819 7.285 1.00 1.10 N ATOM 1286 CA ALA A 87 20.317 0.806 6.200 1.00 0.98 C ATOM 1287 C ALA A 87 18.949 1.234 6.733 1.00 0.87 C ATOM 1288 O ALA A 87 17.950 0.565 6.476 1.00 0.96 O ATOM 1289 CB ALA A 87 20.304 -0.600 5.583 1.00 1.90 C ATOM 0 HA ALA A 87 20.585 1.515 5.417 1.00 0.98 H new ATOM 0 HB1 ALA A 87 19.583 -0.632 4.766 1.00 1.90 H new ATOM 0 HB2 ALA A 87 21.297 -0.839 5.201 1.00 1.90 H new ATOM 0 HB3 ALA A 87 20.023 -1.328 6.343 1.00 1.90 H new ATOM 1295 N CYS A 88 18.890 2.342 7.487 1.00 0.73 N ATOM 1296 CA CYS A 88 17.669 2.744 8.181 1.00 0.63 C ATOM 1297 C CYS A 88 16.562 2.973 7.168 1.00 0.57 C ATOM 1298 O CYS A 88 15.511 2.352 7.262 1.00 0.59 O ATOM 1299 CB CYS A 88 17.891 4.031 8.984 1.00 0.64 C ATOM 1300 SG CYS A 88 19.148 3.799 10.254 1.00 0.76 S ATOM 0 H CYS A 88 19.679 2.973 7.628 1.00 0.73 H new ATOM 0 HA CYS A 88 17.389 1.947 8.870 1.00 0.63 H new ATOM 0 HB2 CYS A 88 18.193 4.834 8.312 1.00 0.64 H new ATOM 0 HB3 CYS A 88 16.954 4.339 9.448 1.00 0.64 H new ATOM 0 HG CYS A 88 18.593 3.852 11.428 1.00 0.76 H new ATOM 1306 N ALA A 89 16.822 3.832 6.178 1.00 0.62 N ATOM 1307 CA ALA A 89 15.893 4.122 5.098 1.00 0.70 C ATOM 1308 C ALA A 89 15.511 2.842 4.354 1.00 0.82 C ATOM 1309 O ALA A 89 14.366 2.667 3.956 1.00 0.85 O ATOM 1310 CB ALA A 89 16.516 5.159 4.160 1.00 0.96 C ATOM 0 H ALA A 89 17.698 4.350 6.109 1.00 0.62 H new ATOM 0 HA ALA A 89 14.973 4.537 5.510 1.00 0.70 H new ATOM 0 HB1 ALA A 89 15.822 5.379 3.349 1.00 0.96 H new ATOM 0 HB2 ALA A 89 16.726 6.073 4.716 1.00 0.96 H new ATOM 0 HB3 ALA A 89 17.444 4.765 3.747 1.00 0.96 H new ATOM 1316 N ASN A 90 16.453 1.916 4.186 1.00 0.95 N ATOM 1317 CA ASN A 90 16.172 0.657 3.508 1.00 1.14 C ATOM 1318 C ASN A 90 15.146 -0.150 4.311 1.00 1.13 C ATOM 1319 O ASN A 90 14.139 -0.620 3.786 1.00 1.27 O ATOM 1320 CB ASN A 90 17.476 -0.121 3.303 1.00 1.31 C ATOM 1321 CG ASN A 90 17.553 -0.745 1.917 1.00 1.47 C ATOM 1322 OD1 ASN A 90 16.755 -1.610 1.574 1.00 2.51 O ATOM 1323 ND2 ASN A 90 18.521 -0.313 1.113 1.00 2.00 N ATOM 0 H ASN A 90 17.415 2.016 4.510 1.00 0.95 H new ATOM 0 HA ASN A 90 15.742 0.853 2.526 1.00 1.14 H new ATOM 0 HB2 ASN A 90 18.324 0.548 3.448 1.00 1.31 H new ATOM 0 HB3 ASN A 90 17.555 -0.903 4.058 1.00 1.31 H new ATOM 0 HD21 ASN A 90 18.618 -0.703 0.176 1.00 2.00 H new ATOM 0 HD22 ASN A 90 19.166 0.409 1.434 1.00 2.00 H new ATOM 1330 N ARG A 91 15.380 -0.281 5.617 1.00 1.03 N ATOM 1331 CA ARG A 91 14.429 -0.918 6.518 1.00 1.10 C ATOM 1332 C ARG A 91 13.076 -0.195 6.485 1.00 0.95 C ATOM 1333 O ARG A 91 12.027 -0.827 6.351 1.00 1.01 O ATOM 1334 CB ARG A 91 15.021 -0.998 7.940 1.00 1.13 C ATOM 1335 CG ARG A 91 15.681 -2.367 8.175 1.00 1.57 C ATOM 1336 CD ARG A 91 15.791 -2.700 9.669 1.00 1.54 C ATOM 1337 NE ARG A 91 16.222 -4.096 9.876 1.00 2.14 N ATOM 1338 CZ ARG A 91 17.490 -4.538 9.921 1.00 3.03 C ATOM 1339 NH1 ARG A 91 18.503 -3.678 9.771 1.00 4.09 N ATOM 1340 NH2 ARG A 91 17.737 -5.839 10.112 1.00 3.74 N ATOM 0 H ARG A 91 16.229 0.050 6.074 1.00 1.03 H new ATOM 0 HA ARG A 91 14.244 -1.938 6.182 1.00 1.10 H new ATOM 0 HB2 ARG A 91 15.756 -0.205 8.079 1.00 1.13 H new ATOM 0 HB3 ARG A 91 14.234 -0.836 8.677 1.00 1.13 H new ATOM 0 HG2 ARG A 91 15.101 -3.141 7.672 1.00 1.57 H new ATOM 0 HG3 ARG A 91 16.675 -2.373 7.728 1.00 1.57 H new ATOM 0 HD2 ARG A 91 16.502 -2.023 10.143 1.00 1.54 H new ATOM 0 HD3 ARG A 91 14.827 -2.539 10.152 1.00 1.54 H new ATOM 0 HE ARG A 91 15.487 -4.792 9.997 1.00 2.14 H new ATOM 0 HH11 ARG A 91 18.313 -2.687 9.623 1.00 4.09 H new ATOM 0 HH12 ARG A 91 19.466 -4.013 9.805 1.00 4.09 H new ATOM 0 HH21 ARG A 91 16.963 -6.494 10.223 1.00 3.74 H new ATOM 0 HH22 ARG A 91 18.699 -6.176 10.146 1.00 3.74 H new ATOM 1354 N ILE A 92 13.105 1.134 6.590 1.00 0.81 N ATOM 1355 CA ILE A 92 11.932 1.995 6.502 1.00 0.80 C ATOM 1356 C ILE A 92 11.154 1.681 5.226 1.00 0.75 C ATOM 1357 O ILE A 92 9.942 1.505 5.286 1.00 0.68 O ATOM 1358 CB ILE A 92 12.347 3.480 6.648 1.00 0.97 C ATOM 1359 CG1 ILE A 92 11.748 4.092 7.922 1.00 1.60 C ATOM 1360 CG2 ILE A 92 12.066 4.397 5.445 1.00 3.14 C ATOM 1361 CD1 ILE A 92 12.326 5.489 8.180 1.00 2.18 C ATOM 0 H ILE A 92 13.970 1.652 6.743 1.00 0.81 H new ATOM 0 HA ILE A 92 11.249 1.798 7.328 1.00 0.80 H new ATOM 0 HB ILE A 92 13.434 3.434 6.708 1.00 0.97 H new ATOM 0 HG12 ILE A 92 10.664 4.154 7.826 1.00 1.60 H new ATOM 0 HG13 ILE A 92 11.956 3.445 8.774 1.00 1.60 H new ATOM 0 HG21 ILE A 92 12.402 5.409 5.672 1.00 3.14 H new ATOM 0 HG22 ILE A 92 12.601 4.025 4.571 1.00 3.14 H new ATOM 0 HG23 ILE A 92 10.996 4.408 5.238 1.00 3.14 H new ATOM 0 HD11 ILE A 92 11.887 5.903 9.088 1.00 2.18 H new ATOM 0 HD12 ILE A 92 13.407 5.419 8.299 1.00 2.18 H new ATOM 0 HD13 ILE A 92 12.095 6.140 7.336 1.00 2.18 H new ATOM 1373 N GLU A 93 11.848 1.554 4.092 1.00 0.84 N ATOM 1374 CA GLU A 93 11.264 1.276 2.807 1.00 0.91 C ATOM 1375 C GLU A 93 10.538 -0.047 2.921 1.00 0.93 C ATOM 1376 O GLU A 93 9.318 -0.061 2.815 1.00 0.82 O ATOM 1377 CB GLU A 93 12.359 1.279 1.735 1.00 1.15 C ATOM 1378 CG GLU A 93 11.826 0.835 0.372 1.00 1.13 C ATOM 1379 CD GLU A 93 12.414 -0.500 -0.055 1.00 1.20 C ATOM 1380 OE1 GLU A 93 13.626 -0.519 -0.363 1.00 2.03 O ATOM 1381 OE2 GLU A 93 11.710 -1.539 -0.018 1.00 1.96 O ATOM 0 H GLU A 93 12.863 1.647 4.058 1.00 0.84 H new ATOM 0 HA GLU A 93 10.545 2.038 2.505 1.00 0.91 H new ATOM 0 HB2 GLU A 93 12.781 2.280 1.651 1.00 1.15 H new ATOM 0 HB3 GLU A 93 13.168 0.616 2.041 1.00 1.15 H new ATOM 0 HG2 GLU A 93 10.740 0.757 0.414 1.00 1.13 H new ATOM 0 HG3 GLU A 93 12.063 1.592 -0.375 1.00 1.13 H new ATOM 1388 N LYS A 94 11.267 -1.133 3.211 1.00 1.09 N ATOM 1389 CA LYS A 94 10.674 -2.461 3.308 1.00 1.17 C ATOM 1390 C LYS A 94 9.466 -2.480 4.249 1.00 1.08 C ATOM 1391 O LYS A 94 8.538 -3.258 4.026 1.00 1.16 O ATOM 1392 CB LYS A 94 11.705 -3.517 3.737 1.00 1.29 C ATOM 1393 CG LYS A 94 12.511 -4.084 2.559 1.00 1.49 C ATOM 1394 CD LYS A 94 13.750 -3.252 2.217 1.00 1.93 C ATOM 1395 CE LYS A 94 14.391 -3.766 0.923 1.00 2.71 C ATOM 1396 NZ LYS A 94 13.860 -3.046 -0.251 1.00 3.85 N ATOM 0 H LYS A 94 12.272 -1.111 3.382 1.00 1.09 H new ATOM 0 HA LYS A 94 10.325 -2.717 2.308 1.00 1.17 H new ATOM 0 HB2 LYS A 94 12.391 -3.074 4.459 1.00 1.29 H new ATOM 0 HB3 LYS A 94 11.191 -4.333 4.244 1.00 1.29 H new ATOM 0 HG2 LYS A 94 12.820 -5.102 2.796 1.00 1.49 H new ATOM 0 HG3 LYS A 94 11.867 -4.142 1.681 1.00 1.49 H new ATOM 0 HD2 LYS A 94 13.473 -2.204 2.103 1.00 1.93 H new ATOM 0 HD3 LYS A 94 14.470 -3.305 3.034 1.00 1.93 H new ATOM 0 HE2 LYS A 94 15.472 -3.640 0.973 1.00 2.71 H new ATOM 0 HE3 LYS A 94 14.199 -4.834 0.817 1.00 2.71 H new ATOM 0 HZ1 LYS A 94 14.031 -3.608 -1.109 1.00 3.85 H new ATOM 0 HZ2 LYS A 94 12.838 -2.896 -0.133 1.00 3.85 H new ATOM 0 HZ3 LYS A 94 14.337 -2.126 -0.339 1.00 3.85 H new ATOM 1410 N ARG A 95 9.470 -1.645 5.292 1.00 0.94 N ATOM 1411 CA ARG A 95 8.293 -1.502 6.141 1.00 0.86 C ATOM 1412 C ARG A 95 7.162 -0.780 5.404 1.00 0.70 C ATOM 1413 O ARG A 95 6.152 -1.404 5.069 1.00 0.71 O ATOM 1414 CB ARG A 95 8.678 -0.799 7.448 1.00 0.86 C ATOM 1415 CG ARG A 95 9.018 -1.844 8.513 1.00 1.04 C ATOM 1416 CD ARG A 95 7.747 -2.261 9.270 1.00 1.24 C ATOM 1417 NE ARG A 95 8.051 -3.129 10.418 1.00 1.35 N ATOM 1418 CZ ARG A 95 8.233 -4.457 10.361 1.00 1.89 C ATOM 1419 NH1 ARG A 95 8.217 -5.079 9.177 1.00 3.16 N ATOM 1420 NH2 ARG A 95 8.434 -5.154 11.486 1.00 2.42 N ATOM 0 H ARG A 95 10.265 -1.067 5.563 1.00 0.94 H new ATOM 0 HA ARG A 95 7.913 -2.492 6.392 1.00 0.86 H new ATOM 0 HB2 ARG A 95 9.533 -0.143 7.282 1.00 0.86 H new ATOM 0 HB3 ARG A 95 7.856 -0.170 7.790 1.00 0.86 H new ATOM 0 HG2 ARG A 95 9.474 -2.716 8.045 1.00 1.04 H new ATOM 0 HG3 ARG A 95 9.750 -1.438 9.211 1.00 1.04 H new ATOM 0 HD2 ARG A 95 7.223 -1.371 9.617 1.00 1.24 H new ATOM 0 HD3 ARG A 95 7.074 -2.782 8.589 1.00 1.24 H new ATOM 0 HE ARG A 95 8.130 -2.685 11.333 1.00 1.35 H new ATOM 0 HH11 ARG A 95 8.067 -4.544 8.322 1.00 3.16 H new ATOM 0 HH12 ARG A 95 8.355 -6.088 9.129 1.00 3.16 H new ATOM 0 HH21 ARG A 95 8.449 -4.675 12.387 1.00 2.42 H new ATOM 0 HH22 ARG A 95 8.572 -6.164 11.443 1.00 2.42 H new ATOM 1434 N LEU A 96 7.337 0.525 5.167 1.00 0.57 N ATOM 1435 CA LEU A 96 6.358 1.403 4.535 1.00 0.48 C ATOM 1436 C LEU A 96 5.712 0.716 3.335 1.00 0.49 C ATOM 1437 O LEU A 96 4.488 0.710 3.243 1.00 0.42 O ATOM 1438 CB LEU A 96 6.993 2.754 4.192 1.00 0.49 C ATOM 1439 CG LEU A 96 6.978 3.672 5.429 1.00 0.55 C ATOM 1440 CD1 LEU A 96 8.282 4.446 5.565 1.00 0.75 C ATOM 1441 CD2 LEU A 96 5.822 4.671 5.335 1.00 1.53 C ATOM 0 H LEU A 96 8.197 1.012 5.421 1.00 0.57 H new ATOM 0 HA LEU A 96 5.551 1.610 5.238 1.00 0.48 H new ATOM 0 HB2 LEU A 96 8.018 2.607 3.850 1.00 0.49 H new ATOM 0 HB3 LEU A 96 6.448 3.224 3.373 1.00 0.49 H new ATOM 0 HG LEU A 96 6.853 3.034 6.304 1.00 0.55 H new ATOM 0 HD11 LEU A 96 8.236 5.083 6.448 1.00 0.75 H new ATOM 0 HD12 LEU A 96 9.112 3.746 5.665 1.00 0.75 H new ATOM 0 HD13 LEU A 96 8.433 5.063 4.679 1.00 0.75 H new ATOM 0 HD21 LEU A 96 5.824 5.313 6.216 1.00 1.53 H new ATOM 0 HD22 LEU A 96 5.941 5.282 4.440 1.00 1.53 H new ATOM 0 HD23 LEU A 96 4.877 4.130 5.282 1.00 1.53 H new ATOM 1453 N ASN A 97 6.540 0.067 2.504 1.00 0.65 N ATOM 1454 CA ASN A 97 6.202 -0.752 1.338 1.00 0.77 C ATOM 1455 C ASN A 97 4.826 -1.409 1.458 1.00 0.75 C ATOM 1456 O ASN A 97 4.063 -1.402 0.498 1.00 0.77 O ATOM 1457 CB ASN A 97 7.287 -1.834 1.161 1.00 0.98 C ATOM 1458 CG ASN A 97 7.387 -2.415 -0.243 1.00 1.13 C ATOM 1459 OD1 ASN A 97 6.469 -3.073 -0.721 1.00 1.59 O ATOM 1460 ND2 ASN A 97 8.537 -2.241 -0.895 1.00 1.22 N ATOM 0 H ASN A 97 7.549 0.107 2.645 1.00 0.65 H new ATOM 0 HA ASN A 97 6.162 -0.097 0.468 1.00 0.77 H new ATOM 0 HB2 ASN A 97 8.253 -1.408 1.432 1.00 0.98 H new ATOM 0 HB3 ASN A 97 7.089 -2.645 1.861 1.00 0.98 H new ATOM 0 HD21 ASN A 97 8.670 -2.660 -1.815 1.00 1.22 H new ATOM 0 HD22 ASN A 97 9.284 -1.689 -0.473 1.00 1.22 H new ATOM 1467 N LYS A 98 4.509 -1.982 2.628 1.00 0.76 N ATOM 1468 CA LYS A 98 3.159 -2.447 2.924 1.00 0.76 C ATOM 1469 C LYS A 98 2.896 -2.396 4.434 1.00 0.77 C ATOM 1470 O LYS A 98 2.741 -3.441 5.060 1.00 0.86 O ATOM 1471 CB LYS A 98 2.902 -3.846 2.329 1.00 0.80 C ATOM 1472 CG LYS A 98 3.986 -4.868 2.720 1.00 0.90 C ATOM 1473 CD LYS A 98 5.060 -5.009 1.631 1.00 2.73 C ATOM 1474 CE LYS A 98 6.423 -5.408 2.212 1.00 3.86 C ATOM 1475 NZ LYS A 98 6.427 -6.765 2.800 1.00 4.02 N ATOM 0 H LYS A 98 5.177 -2.132 3.384 1.00 0.76 H new ATOM 0 HA LYS A 98 2.447 -1.775 2.445 1.00 0.76 H new ATOM 0 HB2 LYS A 98 1.930 -4.207 2.666 1.00 0.80 H new ATOM 0 HB3 LYS A 98 2.855 -3.771 1.243 1.00 0.80 H new ATOM 0 HG2 LYS A 98 4.455 -4.560 3.655 1.00 0.90 H new ATOM 0 HG3 LYS A 98 3.522 -5.838 2.900 1.00 0.90 H new ATOM 0 HD2 LYS A 98 4.743 -5.757 0.905 1.00 2.73 H new ATOM 0 HD3 LYS A 98 5.157 -4.065 1.094 1.00 2.73 H new ATOM 0 HE2 LYS A 98 7.176 -5.357 1.425 1.00 3.86 H new ATOM 0 HE3 LYS A 98 6.711 -4.686 2.976 1.00 3.86 H new ATOM 0 HZ1 LYS A 98 7.373 -6.978 3.176 1.00 4.02 H new ATOM 0 HZ2 LYS A 98 5.730 -6.812 3.571 1.00 4.02 H new ATOM 0 HZ3 LYS A 98 6.181 -7.461 2.068 1.00 4.02 H new ATOM 1489 N ILE A 99 2.838 -1.197 5.026 1.00 0.74 N ATOM 1490 CA ILE A 99 2.396 -1.071 6.420 1.00 0.78 C ATOM 1491 C ILE A 99 0.951 -1.565 6.549 1.00 0.80 C ATOM 1492 O ILE A 99 0.699 -2.537 7.255 1.00 1.10 O ATOM 1493 CB ILE A 99 2.614 0.362 6.947 1.00 0.79 C ATOM 1494 CG1 ILE A 99 4.081 0.556 7.370 1.00 0.74 C ATOM 1495 CG2 ILE A 99 1.679 0.756 8.103 1.00 0.91 C ATOM 1496 CD1 ILE A 99 4.506 -0.175 8.651 1.00 1.54 C ATOM 0 H ILE A 99 3.086 -0.317 4.573 1.00 0.74 H new ATOM 0 HA ILE A 99 3.007 -1.707 7.060 1.00 0.78 H new ATOM 0 HB ILE A 99 2.367 1.025 6.117 1.00 0.79 H new ATOM 0 HG12 ILE A 99 4.722 0.223 6.554 1.00 0.74 H new ATOM 0 HG13 ILE A 99 4.263 1.622 7.504 1.00 0.74 H new ATOM 0 HG21 ILE A 99 1.897 1.777 8.415 1.00 0.91 H new ATOM 0 HG22 ILE A 99 0.643 0.691 7.771 1.00 0.91 H new ATOM 0 HG23 ILE A 99 1.834 0.079 8.943 1.00 0.91 H new ATOM 0 HD11 ILE A 99 5.557 0.031 8.856 1.00 1.54 H new ATOM 0 HD12 ILE A 99 3.899 0.172 9.487 1.00 1.54 H new ATOM 0 HD13 ILE A 99 4.365 -1.248 8.521 1.00 1.54 H new ATOM 1508 N GLU A 100 0.030 -0.911 5.839 1.00 0.75 N ATOM 1509 CA GLU A 100 -1.354 -1.336 5.691 1.00 0.76 C ATOM 1510 C GLU A 100 -1.777 -0.976 4.269 1.00 0.77 C ATOM 1511 O GLU A 100 -1.483 -1.725 3.340 1.00 1.00 O ATOM 1512 CB GLU A 100 -2.244 -0.732 6.801 1.00 0.74 C ATOM 1513 CG GLU A 100 -2.604 -1.805 7.834 1.00 1.02 C ATOM 1514 CD GLU A 100 -3.330 -1.218 9.036 1.00 1.64 C ATOM 1515 OE1 GLU A 100 -2.641 -0.546 9.829 1.00 2.66 O ATOM 1516 OE2 GLU A 100 -4.551 -1.460 9.139 1.00 2.52 O ATOM 0 H GLU A 100 0.237 -0.047 5.339 1.00 0.75 H new ATOM 0 HA GLU A 100 -1.469 -2.412 5.822 1.00 0.76 H new ATOM 0 HB2 GLU A 100 -1.722 0.091 7.288 1.00 0.74 H new ATOM 0 HB3 GLU A 100 -3.153 -0.319 6.364 1.00 0.74 H new ATOM 0 HG2 GLU A 100 -3.232 -2.563 7.366 1.00 1.02 H new ATOM 0 HG3 GLU A 100 -1.695 -2.306 8.168 1.00 1.02 H new ATOM 1523 N GLY A 101 -2.388 0.192 4.058 1.00 0.71 N ATOM 1524 CA GLY A 101 -2.917 0.569 2.756 1.00 0.71 C ATOM 1525 C GLY A 101 -1.890 1.328 1.931 1.00 0.71 C ATOM 1526 O GLY A 101 -2.203 2.384 1.379 1.00 0.82 O ATOM 0 H GLY A 101 -2.527 0.896 4.783 1.00 0.71 H new ATOM 0 HA2 GLY A 101 -3.228 -0.326 2.217 1.00 0.71 H new ATOM 0 HA3 GLY A 101 -3.805 1.186 2.889 1.00 0.71 H new ATOM 1530 N VAL A 102 -0.672 0.788 1.851 1.00 0.68 N ATOM 1531 CA VAL A 102 0.423 1.364 1.086 1.00 0.67 C ATOM 1532 C VAL A 102 0.616 0.525 -0.165 1.00 0.68 C ATOM 1533 O VAL A 102 0.752 -0.692 -0.074 1.00 0.66 O ATOM 1534 CB VAL A 102 1.711 1.449 1.919 1.00 0.67 C ATOM 1535 CG1 VAL A 102 2.732 2.322 1.175 1.00 0.68 C ATOM 1536 CG2 VAL A 102 1.429 2.031 3.310 1.00 0.62 C ATOM 0 H VAL A 102 -0.420 -0.078 2.327 1.00 0.68 H new ATOM 0 HA VAL A 102 0.179 2.389 0.806 1.00 0.67 H new ATOM 0 HB VAL A 102 2.113 0.445 2.054 1.00 0.67 H new ATOM 0 HG11 VAL A 102 3.649 2.387 1.760 1.00 0.68 H new ATOM 0 HG12 VAL A 102 2.951 1.878 0.204 1.00 0.68 H new ATOM 0 HG13 VAL A 102 2.321 3.321 1.032 1.00 0.68 H new ATOM 0 HG21 VAL A 102 2.357 2.080 3.879 1.00 0.62 H new ATOM 0 HG22 VAL A 102 1.013 3.033 3.208 1.00 0.62 H new ATOM 0 HG23 VAL A 102 0.716 1.394 3.833 1.00 0.62 H new ATOM 1546 N ALA A 103 0.622 1.182 -1.325 1.00 0.73 N ATOM 1547 CA ALA A 103 0.955 0.543 -2.579 1.00 0.78 C ATOM 1548 C ALA A 103 2.472 0.486 -2.721 1.00 0.84 C ATOM 1549 O ALA A 103 3.018 -0.569 -3.040 1.00 0.93 O ATOM 1550 CB ALA A 103 0.314 1.305 -3.734 1.00 0.75 C ATOM 0 H ALA A 103 0.395 2.173 -1.412 1.00 0.73 H new ATOM 0 HA ALA A 103 0.567 -0.475 -2.598 1.00 0.78 H new ATOM 0 HB1 ALA A 103 0.568 0.819 -4.676 1.00 0.75 H new ATOM 0 HB2 ALA A 103 -0.769 1.311 -3.609 1.00 0.75 H new ATOM 0 HB3 ALA A 103 0.684 2.330 -3.743 1.00 0.75 H new ATOM 1556 N ASN A 104 3.164 1.614 -2.496 1.00 0.81 N ATOM 1557 CA ASN A 104 4.608 1.691 -2.707 1.00 0.88 C ATOM 1558 C ASN A 104 5.240 2.675 -1.729 1.00 0.80 C ATOM 1559 O ASN A 104 4.554 3.506 -1.134 1.00 0.75 O ATOM 1560 CB ASN A 104 4.949 2.071 -4.162 1.00 0.93 C ATOM 1561 CG ASN A 104 4.450 1.041 -5.167 1.00 0.92 C ATOM 1562 OD1 ASN A 104 5.132 0.054 -5.431 1.00 1.18 O ATOM 1563 ND2 ASN A 104 3.266 1.254 -5.731 1.00 0.71 N ATOM 0 H ASN A 104 2.742 2.483 -2.168 1.00 0.81 H new ATOM 0 HA ASN A 104 5.024 0.701 -2.521 1.00 0.88 H new ATOM 0 HB2 ASN A 104 4.510 3.041 -4.393 1.00 0.93 H new ATOM 0 HB3 ASN A 104 6.029 2.178 -4.262 1.00 0.93 H new ATOM 0 HD21 ASN A 104 2.896 0.586 -6.408 1.00 0.71 H new ATOM 0 HD22 ASN A 104 2.727 2.085 -5.487 1.00 0.71 H new ATOM 1570 N ALA A 105 6.561 2.574 -1.558 1.00 0.76 N ATOM 1571 CA ALA A 105 7.308 3.436 -0.643 1.00 0.64 C ATOM 1572 C ALA A 105 8.787 3.586 -1.026 1.00 0.74 C ATOM 1573 O ALA A 105 9.656 3.284 -0.208 1.00 0.84 O ATOM 1574 CB ALA A 105 7.171 2.902 0.785 1.00 0.62 C ATOM 0 H ALA A 105 7.140 1.893 -2.050 1.00 0.76 H new ATOM 0 HA ALA A 105 6.877 4.435 -0.712 1.00 0.64 H new ATOM 0 HB1 ALA A 105 7.727 3.544 1.468 1.00 0.62 H new ATOM 0 HB2 ALA A 105 6.119 2.893 1.071 1.00 0.62 H new ATOM 0 HB3 ALA A 105 7.569 1.888 0.834 1.00 0.62 H new ATOM 1580 N PRO A 106 9.115 4.036 -2.247 1.00 0.74 N ATOM 1581 CA PRO A 106 10.497 4.207 -2.658 1.00 0.86 C ATOM 1582 C PRO A 106 11.171 5.336 -1.868 1.00 0.82 C ATOM 1583 O PRO A 106 10.567 6.381 -1.611 1.00 0.72 O ATOM 1584 CB PRO A 106 10.446 4.501 -4.159 1.00 0.94 C ATOM 1585 CG PRO A 106 9.074 5.150 -4.337 1.00 0.83 C ATOM 1586 CD PRO A 106 8.211 4.399 -3.324 1.00 0.68 C ATOM 0 HA PRO A 106 11.096 3.318 -2.458 1.00 0.86 H new ATOM 0 HB2 PRO A 106 11.251 5.168 -4.467 1.00 0.94 H new ATOM 0 HB3 PRO A 106 10.542 3.591 -4.752 1.00 0.94 H new ATOM 0 HG2 PRO A 106 9.103 6.220 -4.130 1.00 0.83 H new ATOM 0 HG3 PRO A 106 8.699 5.032 -5.354 1.00 0.83 H new ATOM 0 HD2 PRO A 106 7.397 5.025 -2.960 1.00 0.68 H new ATOM 0 HD3 PRO A 106 7.758 3.515 -3.772 1.00 0.68 H new ATOM 1594 N VAL A 107 12.436 5.104 -1.501 1.00 0.95 N ATOM 1595 CA VAL A 107 13.297 6.042 -0.797 1.00 0.99 C ATOM 1596 C VAL A 107 14.295 6.658 -1.777 1.00 1.12 C ATOM 1597 O VAL A 107 14.803 5.966 -2.657 1.00 1.21 O ATOM 1598 CB VAL A 107 14.038 5.339 0.359 1.00 1.10 C ATOM 1599 CG1 VAL A 107 13.093 5.093 1.535 1.00 1.40 C ATOM 1600 CG2 VAL A 107 14.687 4.007 -0.046 1.00 1.99 C ATOM 0 H VAL A 107 12.901 4.218 -1.698 1.00 0.95 H new ATOM 0 HA VAL A 107 12.682 6.834 -0.370 1.00 0.99 H new ATOM 0 HB VAL A 107 14.840 6.018 0.648 1.00 1.10 H new ATOM 0 HG11 VAL A 107 13.635 4.596 2.340 1.00 1.40 H new ATOM 0 HG12 VAL A 107 12.703 6.046 1.894 1.00 1.40 H new ATOM 0 HG13 VAL A 107 12.266 4.461 1.211 1.00 1.40 H new ATOM 0 HG21 VAL A 107 15.190 3.570 0.817 1.00 1.99 H new ATOM 0 HG22 VAL A 107 13.919 3.322 -0.404 1.00 1.99 H new ATOM 0 HG23 VAL A 107 15.414 4.183 -0.839 1.00 1.99 H new ATOM 1610 N ASN A 108 14.605 7.946 -1.614 1.00 1.16 N ATOM 1611 CA ASN A 108 15.603 8.616 -2.437 1.00 1.32 C ATOM 1612 C ASN A 108 17.007 8.244 -1.987 1.00 1.33 C ATOM 1613 O ASN A 108 17.923 8.221 -2.805 1.00 3.09 O ATOM 1614 CB ASN A 108 15.465 10.140 -2.338 1.00 1.30 C ATOM 1615 CG ASN A 108 14.242 10.677 -3.073 1.00 1.86 C ATOM 1616 OD1 ASN A 108 13.120 10.246 -2.820 1.00 1.92 O ATOM 1617 ND2 ASN A 108 14.436 11.650 -3.960 1.00 2.67 N ATOM 0 H ASN A 108 14.173 8.547 -0.912 1.00 1.16 H new ATOM 0 HA ASN A 108 15.438 8.295 -3.465 1.00 1.32 H new ATOM 0 HB2 ASN A 108 15.406 10.426 -1.288 1.00 1.30 H new ATOM 0 HB3 ASN A 108 16.361 10.608 -2.746 1.00 1.30 H new ATOM 0 HD21 ASN A 108 13.641 12.059 -4.451 1.00 2.67 H new ATOM 0 HD22 ASN A 108 15.380 11.987 -4.149 1.00 2.67 H new ATOM 1624 N PHE A 109 17.197 8.051 -0.676 1.00 1.21 N ATOM 1625 CA PHE A 109 18.480 7.953 0.000 1.00 1.07 C ATOM 1626 C PHE A 109 19.263 9.264 -0.058 1.00 1.24 C ATOM 1627 O PHE A 109 19.554 9.848 0.977 1.00 2.15 O ATOM 1628 CB PHE A 109 19.308 6.768 -0.512 1.00 1.06 C ATOM 1629 CG PHE A 109 19.278 5.578 0.416 1.00 1.42 C ATOM 1630 CD1 PHE A 109 20.142 5.541 1.523 1.00 1.53 C ATOM 1631 CD2 PHE A 109 18.337 4.554 0.223 1.00 3.11 C ATOM 1632 CE1 PHE A 109 20.087 4.466 2.421 1.00 1.80 C ATOM 1633 CE2 PHE A 109 18.278 3.478 1.122 1.00 3.72 C ATOM 1634 CZ PHE A 109 19.167 3.423 2.212 1.00 2.67 C ATOM 0 H PHE A 109 16.413 7.955 -0.031 1.00 1.21 H new ATOM 0 HA PHE A 109 18.267 7.761 1.052 1.00 1.07 H new ATOM 0 HB2 PHE A 109 18.934 6.467 -1.491 1.00 1.06 H new ATOM 0 HB3 PHE A 109 20.341 7.087 -0.650 1.00 1.06 H new ATOM 0 HD1 PHE A 109 20.849 6.341 1.682 1.00 1.53 H new ATOM 0 HD2 PHE A 109 17.659 4.594 -0.617 1.00 3.11 H new ATOM 0 HE1 PHE A 109 20.751 4.439 3.273 1.00 1.80 H new ATOM 0 HE2 PHE A 109 17.551 2.693 0.978 1.00 3.72 H new ATOM 0 HZ PHE A 109 19.143 2.581 2.887 1.00 2.67 H new ATOM 1644 N ALA A 110 19.602 9.729 -1.261 1.00 0.72 N ATOM 1645 CA ALA A 110 20.532 10.828 -1.481 1.00 1.00 C ATOM 1646 C ALA A 110 20.057 12.127 -0.834 1.00 1.12 C ATOM 1647 O ALA A 110 20.876 12.983 -0.514 1.00 1.31 O ATOM 1648 CB ALA A 110 20.723 11.025 -2.988 1.00 1.17 C ATOM 0 H ALA A 110 19.227 9.341 -2.126 1.00 0.72 H new ATOM 0 HA ALA A 110 21.481 10.570 -1.011 1.00 1.00 H new ATOM 0 HB1 ALA A 110 21.418 11.846 -3.162 1.00 1.17 H new ATOM 0 HB2 ALA A 110 21.124 10.111 -3.427 1.00 1.17 H new ATOM 0 HB3 ALA A 110 19.763 11.258 -3.449 1.00 1.17 H new ATOM 1654 N LEU A 111 18.736 12.282 -0.707 1.00 1.10 N ATOM 1655 CA LEU A 111 18.098 13.435 -0.088 1.00 1.26 C ATOM 1656 C LEU A 111 17.484 13.071 1.272 1.00 1.01 C ATOM 1657 O LEU A 111 16.837 13.918 1.881 1.00 0.98 O ATOM 1658 CB LEU A 111 16.992 13.961 -1.021 1.00 1.44 C ATOM 1659 CG LEU A 111 17.370 14.086 -2.506 1.00 1.75 C ATOM 1660 CD1 LEU A 111 16.208 14.749 -3.256 1.00 2.13 C ATOM 1661 CD2 LEU A 111 18.635 14.923 -2.730 1.00 2.09 C ATOM 0 H LEU A 111 18.068 11.588 -1.042 1.00 1.10 H new ATOM 0 HA LEU A 111 18.856 14.201 0.074 1.00 1.26 H new ATOM 0 HB2 LEU A 111 16.130 13.299 -0.940 1.00 1.44 H new ATOM 0 HB3 LEU A 111 16.677 14.941 -0.663 1.00 1.44 H new ATOM 0 HG LEU A 111 17.570 13.081 -2.877 1.00 1.75 H new ATOM 0 HD11 LEU A 111 16.463 14.844 -4.311 1.00 2.13 H new ATOM 0 HD12 LEU A 111 15.312 14.137 -3.153 1.00 2.13 H new ATOM 0 HD13 LEU A 111 16.022 15.738 -2.837 1.00 2.13 H new ATOM 0 HD21 LEU A 111 18.852 14.976 -3.797 1.00 2.09 H new ATOM 0 HD22 LEU A 111 18.479 15.929 -2.341 1.00 2.09 H new ATOM 0 HD23 LEU A 111 19.474 14.460 -2.211 1.00 2.09 H new ATOM 1673 N GLU A 112 17.597 11.803 1.695 1.00 0.89 N ATOM 1674 CA GLU A 112 16.973 11.279 2.903 1.00 0.76 C ATOM 1675 C GLU A 112 15.448 11.476 2.907 1.00 0.58 C ATOM 1676 O GLU A 112 14.866 11.960 3.876 1.00 0.60 O ATOM 1677 CB GLU A 112 17.672 11.853 4.143 1.00 0.98 C ATOM 1678 CG GLU A 112 19.158 11.450 4.196 1.00 1.22 C ATOM 1679 CD GLU A 112 20.160 12.484 3.679 1.00 1.57 C ATOM 1680 OE1 GLU A 112 19.755 13.382 2.912 1.00 2.65 O ATOM 1681 OE2 GLU A 112 21.339 12.357 4.076 1.00 2.14 O ATOM 0 H GLU A 112 18.139 11.103 1.189 1.00 0.89 H new ATOM 0 HA GLU A 112 17.109 10.198 2.926 1.00 0.76 H new ATOM 0 HB2 GLU A 112 17.590 12.940 4.137 1.00 0.98 H new ATOM 0 HB3 GLU A 112 17.167 11.500 5.042 1.00 0.98 H new ATOM 0 HG2 GLU A 112 19.412 11.215 5.230 1.00 1.22 H new ATOM 0 HG3 GLU A 112 19.285 10.533 3.620 1.00 1.22 H new ATOM 1688 N THR A 113 14.788 11.051 1.823 1.00 0.51 N ATOM 1689 CA THR A 113 13.344 11.203 1.634 1.00 0.45 C ATOM 1690 C THR A 113 12.688 9.886 1.225 1.00 0.44 C ATOM 1691 O THR A 113 13.372 9.002 0.703 1.00 0.50 O ATOM 1692 CB THR A 113 13.036 12.322 0.630 1.00 0.65 C ATOM 1693 OG1 THR A 113 13.385 11.998 -0.696 1.00 0.79 O ATOM 1694 CG2 THR A 113 13.840 13.577 0.965 1.00 0.85 C ATOM 0 H THR A 113 15.251 10.585 1.042 1.00 0.51 H new ATOM 0 HA THR A 113 12.913 11.490 2.593 1.00 0.45 H new ATOM 0 HB THR A 113 11.959 12.474 0.705 1.00 0.65 H new ATOM 0 HG1 THR A 113 12.823 11.260 -1.011 1.00 0.79 H new ATOM 0 HG21 THR A 113 13.609 14.360 0.243 1.00 0.85 H new ATOM 0 HG22 THR A 113 13.580 13.919 1.967 1.00 0.85 H new ATOM 0 HG23 THR A 113 14.905 13.348 0.925 1.00 0.85 H new ATOM 1702 N VAL A 114 11.373 9.770 1.449 1.00 0.48 N ATOM 1703 CA VAL A 114 10.554 8.630 1.067 1.00 0.49 C ATOM 1704 C VAL A 114 9.257 9.153 0.459 1.00 0.51 C ATOM 1705 O VAL A 114 8.536 9.924 1.090 1.00 0.46 O ATOM 1706 CB VAL A 114 10.309 7.681 2.257 1.00 0.46 C ATOM 1707 CG1 VAL A 114 9.569 8.313 3.441 1.00 0.43 C ATOM 1708 CG2 VAL A 114 9.576 6.410 1.811 1.00 0.46 C ATOM 0 H VAL A 114 10.837 10.499 1.920 1.00 0.48 H new ATOM 0 HA VAL A 114 11.077 8.031 0.322 1.00 0.49 H new ATOM 0 HB VAL A 114 11.307 7.433 2.618 1.00 0.46 H new ATOM 0 HG11 VAL A 114 9.443 7.571 4.229 1.00 0.43 H new ATOM 0 HG12 VAL A 114 10.147 9.154 3.824 1.00 0.43 H new ATOM 0 HG13 VAL A 114 8.591 8.664 3.113 1.00 0.43 H new ATOM 0 HG21 VAL A 114 9.417 5.760 2.672 1.00 0.46 H new ATOM 0 HG22 VAL A 114 8.613 6.679 1.377 1.00 0.46 H new ATOM 0 HG23 VAL A 114 10.176 5.886 1.067 1.00 0.46 H new ATOM 1718 N THR A 115 8.956 8.729 -0.764 1.00 0.64 N ATOM 1719 CA THR A 115 7.656 8.998 -1.348 1.00 0.73 C ATOM 1720 C THR A 115 6.733 7.885 -0.861 1.00 0.73 C ATOM 1721 O THR A 115 6.905 6.740 -1.266 1.00 1.10 O ATOM 1722 CB THR A 115 7.794 9.024 -2.870 1.00 0.97 C ATOM 1723 OG1 THR A 115 8.794 9.954 -3.245 1.00 1.05 O ATOM 1724 CG2 THR A 115 6.472 9.409 -3.528 1.00 1.12 C ATOM 0 H THR A 115 9.592 8.202 -1.363 1.00 0.64 H new ATOM 0 HA THR A 115 7.245 9.964 -1.053 1.00 0.73 H new ATOM 0 HB THR A 115 8.074 8.026 -3.206 1.00 0.97 H new ATOM 0 HG1 THR A 115 8.880 9.966 -4.221 1.00 1.05 H new ATOM 0 HG21 THR A 115 6.595 9.421 -4.611 1.00 1.12 H new ATOM 0 HG22 THR A 115 5.706 8.682 -3.257 1.00 1.12 H new ATOM 0 HG23 THR A 115 6.170 10.399 -3.186 1.00 1.12 H new ATOM 1732 N VAL A 116 5.787 8.197 0.025 1.00 0.67 N ATOM 1733 CA VAL A 116 4.859 7.210 0.561 1.00 0.62 C ATOM 1734 C VAL A 116 3.641 7.188 -0.360 1.00 0.59 C ATOM 1735 O VAL A 116 2.936 8.189 -0.476 1.00 0.58 O ATOM 1736 CB VAL A 116 4.549 7.474 2.050 1.00 0.59 C ATOM 1737 CG1 VAL A 116 3.834 8.798 2.344 1.00 0.65 C ATOM 1738 CG2 VAL A 116 3.724 6.315 2.623 1.00 0.63 C ATOM 0 H VAL A 116 5.645 9.139 0.388 1.00 0.67 H new ATOM 0 HA VAL A 116 5.292 6.210 0.569 1.00 0.62 H new ATOM 0 HB VAL A 116 5.523 7.551 2.534 1.00 0.59 H new ATOM 0 HG11 VAL A 116 3.662 8.888 3.417 1.00 0.65 H new ATOM 0 HG12 VAL A 116 4.453 9.629 2.004 1.00 0.65 H new ATOM 0 HG13 VAL A 116 2.878 8.820 1.820 1.00 0.65 H new ATOM 0 HG21 VAL A 116 3.508 6.507 3.674 1.00 0.63 H new ATOM 0 HG22 VAL A 116 2.788 6.226 2.071 1.00 0.63 H new ATOM 0 HG23 VAL A 116 4.288 5.387 2.532 1.00 0.63 H new ATOM 1748 N GLU A 117 3.437 6.076 -1.067 1.00 0.66 N ATOM 1749 CA GLU A 117 2.412 5.940 -2.082 1.00 0.74 C ATOM 1750 C GLU A 117 1.325 5.056 -1.483 1.00 0.71 C ATOM 1751 O GLU A 117 1.443 3.828 -1.484 1.00 0.74 O ATOM 1752 CB GLU A 117 3.072 5.405 -3.359 1.00 1.05 C ATOM 1753 CG GLU A 117 2.293 5.709 -4.645 1.00 0.78 C ATOM 1754 CD GLU A 117 1.340 4.587 -5.011 1.00 1.59 C ATOM 1755 OE1 GLU A 117 1.856 3.534 -5.448 1.00 2.30 O ATOM 1756 OE2 GLU A 117 0.122 4.797 -4.836 1.00 2.90 O ATOM 0 H GLU A 117 3.995 5.232 -0.941 1.00 0.66 H new ATOM 0 HA GLU A 117 1.936 6.876 -2.375 1.00 0.74 H new ATOM 0 HB2 GLU A 117 4.072 5.831 -3.444 1.00 1.05 H new ATOM 0 HB3 GLU A 117 3.193 4.326 -3.267 1.00 1.05 H new ATOM 0 HG2 GLU A 117 1.732 6.635 -4.518 1.00 0.78 H new ATOM 0 HG3 GLU A 117 2.994 5.871 -5.464 1.00 0.78 H new ATOM 1763 N TYR A 118 0.327 5.694 -0.860 1.00 0.68 N ATOM 1764 CA TYR A 118 -0.632 5.015 0.002 1.00 0.68 C ATOM 1765 C TYR A 118 -2.012 5.645 -0.091 1.00 0.71 C ATOM 1766 O TYR A 118 -2.172 6.732 -0.641 1.00 0.76 O ATOM 1767 CB TYR A 118 -0.146 5.032 1.460 1.00 0.63 C ATOM 1768 CG TYR A 118 -0.460 6.278 2.267 1.00 0.55 C ATOM 1769 CD1 TYR A 118 0.171 7.500 1.969 1.00 1.83 C ATOM 1770 CD2 TYR A 118 -1.326 6.192 3.373 1.00 1.56 C ATOM 1771 CE1 TYR A 118 -0.021 8.613 2.805 1.00 1.75 C ATOM 1772 CE2 TYR A 118 -1.512 7.306 4.207 1.00 1.61 C ATOM 1773 CZ TYR A 118 -0.850 8.511 3.934 1.00 0.43 C ATOM 1774 OH TYR A 118 -1.001 9.575 4.774 1.00 0.49 O ATOM 0 H TYR A 118 0.166 6.698 -0.943 1.00 0.68 H new ATOM 0 HA TYR A 118 -0.709 3.983 -0.341 1.00 0.68 H new ATOM 0 HB2 TYR A 118 -0.581 4.175 1.974 1.00 0.63 H new ATOM 0 HB3 TYR A 118 0.935 4.889 1.460 1.00 0.63 H new ATOM 0 HD1 TYR A 118 0.803 7.582 1.097 1.00 1.83 H new ATOM 0 HD2 TYR A 118 -1.847 5.269 3.580 1.00 1.56 H new ATOM 0 HE1 TYR A 118 0.470 9.548 2.579 1.00 1.75 H new ATOM 0 HE2 TYR A 118 -2.168 7.234 5.062 1.00 1.61 H new ATOM 0 HH TYR A 118 -0.900 10.408 4.268 1.00 0.49 H new ATOM 1784 N ASN A 119 -3.004 4.944 0.458 1.00 0.69 N ATOM 1785 CA ASN A 119 -4.372 5.415 0.547 1.00 0.64 C ATOM 1786 C ASN A 119 -4.523 6.294 1.793 1.00 0.65 C ATOM 1787 O ASN A 119 -4.519 5.759 2.903 1.00 0.73 O ATOM 1788 CB ASN A 119 -5.317 4.213 0.621 1.00 0.68 C ATOM 1789 CG ASN A 119 -6.750 4.653 0.892 1.00 1.07 C ATOM 1790 OD1 ASN A 119 -7.099 5.823 0.774 1.00 1.71 O ATOM 1791 ND2 ASN A 119 -7.591 3.732 1.334 1.00 2.12 N ATOM 0 H ASN A 119 -2.869 4.016 0.859 1.00 0.69 H new ATOM 0 HA ASN A 119 -4.623 6.006 -0.334 1.00 0.64 H new ATOM 0 HB2 ASN A 119 -5.276 3.657 -0.316 1.00 0.68 H new ATOM 0 HB3 ASN A 119 -4.987 3.536 1.409 1.00 0.68 H new ATOM 0 HD21 ASN A 119 -8.546 3.991 1.583 1.00 2.12 H new ATOM 0 HD22 ASN A 119 -7.284 2.764 1.426 1.00 2.12 H new ATOM 1798 N PRO A 120 -4.726 7.615 1.647 1.00 0.61 N ATOM 1799 CA PRO A 120 -4.836 8.526 2.776 1.00 0.61 C ATOM 1800 C PRO A 120 -6.222 8.476 3.439 1.00 0.64 C ATOM 1801 O PRO A 120 -6.581 9.408 4.158 1.00 0.70 O ATOM 1802 CB PRO A 120 -4.546 9.903 2.170 1.00 0.63 C ATOM 1803 CG PRO A 120 -5.176 9.790 0.782 1.00 0.61 C ATOM 1804 CD PRO A 120 -4.866 8.344 0.392 1.00 0.59 C ATOM 0 HA PRO A 120 -4.146 8.266 3.578 1.00 0.61 H new ATOM 0 HB2 PRO A 120 -4.993 10.707 2.755 1.00 0.63 H new ATOM 0 HB3 PRO A 120 -3.476 10.106 2.115 1.00 0.63 H new ATOM 0 HG2 PRO A 120 -6.249 9.982 0.807 1.00 0.61 H new ATOM 0 HG3 PRO A 120 -4.741 10.501 0.080 1.00 0.61 H new ATOM 0 HD2 PRO A 120 -5.666 7.923 -0.217 1.00 0.59 H new ATOM 0 HD3 PRO A 120 -3.951 8.286 -0.198 1.00 0.59 H new ATOM 1812 N LYS A 121 -7.028 7.440 3.169 1.00 0.66 N ATOM 1813 CA LYS A 121 -8.321 7.226 3.808 1.00 0.71 C ATOM 1814 C LYS A 121 -8.222 6.081 4.819 1.00 0.66 C ATOM 1815 O LYS A 121 -8.652 6.242 5.958 1.00 0.76 O ATOM 1816 CB LYS A 121 -9.398 6.958 2.749 1.00 0.80 C ATOM 1817 CG LYS A 121 -9.386 7.974 1.595 1.00 1.97 C ATOM 1818 CD LYS A 121 -9.599 9.415 2.073 1.00 3.17 C ATOM 1819 CE LYS A 121 -9.780 10.333 0.856 1.00 4.59 C ATOM 1820 NZ LYS A 121 -9.883 11.755 1.244 1.00 5.78 N ATOM 0 H LYS A 121 -6.790 6.719 2.488 1.00 0.66 H new ATOM 0 HA LYS A 121 -8.610 8.126 4.351 1.00 0.71 H new ATOM 0 HB2 LYS A 121 -9.256 5.956 2.343 1.00 0.80 H new ATOM 0 HB3 LYS A 121 -10.378 6.973 3.226 1.00 0.80 H new ATOM 0 HG2 LYS A 121 -8.434 7.907 1.068 1.00 1.97 H new ATOM 0 HG3 LYS A 121 -10.166 7.714 0.879 1.00 1.97 H new ATOM 0 HD2 LYS A 121 -10.476 9.470 2.718 1.00 3.17 H new ATOM 0 HD3 LYS A 121 -8.746 9.743 2.666 1.00 3.17 H new ATOM 0 HE2 LYS A 121 -8.938 10.203 0.176 1.00 4.59 H new ATOM 0 HE3 LYS A 121 -10.678 10.040 0.312 1.00 4.59 H new ATOM 0 HZ1 LYS A 121 -10.004 12.339 0.392 1.00 5.78 H new ATOM 0 HZ2 LYS A 121 -10.701 11.885 1.872 1.00 5.78 H new ATOM 0 HZ3 LYS A 121 -9.016 12.043 1.741 1.00 5.78 H new ATOM 1834 N GLU A 122 -7.653 4.939 4.409 1.00 0.62 N ATOM 1835 CA GLU A 122 -7.383 3.826 5.318 1.00 0.60 C ATOM 1836 C GLU A 122 -6.495 4.302 6.473 1.00 0.56 C ATOM 1837 O GLU A 122 -6.847 4.146 7.640 1.00 0.68 O ATOM 1838 CB GLU A 122 -6.678 2.664 4.588 1.00 0.64 C ATOM 1839 CG GLU A 122 -7.591 1.642 3.890 1.00 0.94 C ATOM 1840 CD GLU A 122 -8.568 0.957 4.832 1.00 1.63 C ATOM 1841 OE1 GLU A 122 -8.092 0.131 5.636 1.00 3.03 O ATOM 1842 OE2 GLU A 122 -9.774 1.260 4.701 1.00 2.42 O ATOM 0 H GLU A 122 -7.370 4.765 3.445 1.00 0.62 H new ATOM 0 HA GLU A 122 -8.339 3.468 5.701 1.00 0.60 H new ATOM 0 HB2 GLU A 122 -6.005 3.087 3.842 1.00 0.64 H new ATOM 0 HB3 GLU A 122 -6.059 2.132 5.310 1.00 0.64 H new ATOM 0 HG2 GLU A 122 -8.151 2.146 3.102 1.00 0.94 H new ATOM 0 HG3 GLU A 122 -6.973 0.885 3.407 1.00 0.94 H new ATOM 1849 N ALA A 123 -5.324 4.854 6.134 1.00 0.51 N ATOM 1850 CA ALA A 123 -4.309 5.262 7.098 1.00 0.48 C ATOM 1851 C ALA A 123 -4.052 6.761 6.955 1.00 0.45 C ATOM 1852 O ALA A 123 -4.671 7.425 6.124 1.00 0.48 O ATOM 1853 CB ALA A 123 -3.040 4.436 6.862 1.00 0.49 C ATOM 0 H ALA A 123 -5.056 5.030 5.166 1.00 0.51 H new ATOM 0 HA ALA A 123 -4.646 5.080 8.118 1.00 0.48 H new ATOM 0 HB1 ALA A 123 -2.274 4.733 7.578 1.00 0.49 H new ATOM 0 HB2 ALA A 123 -3.266 3.377 6.991 1.00 0.49 H new ATOM 0 HB3 ALA A 123 -2.676 4.609 5.849 1.00 0.49 H new ATOM 1859 N SER A 124 -3.125 7.306 7.748 1.00 0.44 N ATOM 1860 CA SER A 124 -2.743 8.708 7.671 1.00 0.43 C ATOM 1861 C SER A 124 -1.341 8.909 8.246 1.00 0.41 C ATOM 1862 O SER A 124 -0.756 7.989 8.816 1.00 0.44 O ATOM 1863 CB SER A 124 -3.774 9.579 8.400 1.00 0.46 C ATOM 1864 OG SER A 124 -3.577 10.938 8.055 1.00 2.24 O ATOM 0 H SER A 124 -2.620 6.781 8.462 1.00 0.44 H new ATOM 0 HA SER A 124 -2.723 9.014 6.625 1.00 0.43 H new ATOM 0 HB2 SER A 124 -4.783 9.268 8.131 1.00 0.46 H new ATOM 0 HB3 SER A 124 -3.677 9.449 9.478 1.00 0.46 H new ATOM 0 HG SER A 124 -4.238 11.493 8.520 1.00 2.24 H new ATOM 1870 N VAL A 125 -0.832 10.138 8.131 1.00 0.42 N ATOM 1871 CA VAL A 125 0.455 10.571 8.656 1.00 0.45 C ATOM 1872 C VAL A 125 0.661 10.050 10.078 1.00 0.45 C ATOM 1873 O VAL A 125 1.715 9.507 10.391 1.00 0.51 O ATOM 1874 CB VAL A 125 0.561 12.109 8.643 1.00 0.63 C ATOM 1875 CG1 VAL A 125 2.019 12.517 8.890 1.00 1.62 C ATOM 1876 CG2 VAL A 125 0.058 12.747 7.339 1.00 1.14 C ATOM 0 H VAL A 125 -1.330 10.886 7.649 1.00 0.42 H new ATOM 0 HA VAL A 125 1.234 10.160 8.014 1.00 0.45 H new ATOM 0 HB VAL A 125 -0.087 12.479 9.437 1.00 0.63 H new ATOM 0 HG11 VAL A 125 2.099 13.604 8.882 1.00 1.62 H new ATOM 0 HG12 VAL A 125 2.344 12.137 9.858 1.00 1.62 H new ATOM 0 HG13 VAL A 125 2.651 12.101 8.106 1.00 1.62 H new ATOM 0 HG21 VAL A 125 0.162 13.830 7.400 1.00 1.14 H new ATOM 0 HG22 VAL A 125 0.645 12.373 6.501 1.00 1.14 H new ATOM 0 HG23 VAL A 125 -0.991 12.491 7.190 1.00 1.14 H new ATOM 1886 N SER A 126 -0.342 10.215 10.943 1.00 0.47 N ATOM 1887 CA SER A 126 -0.287 9.771 12.326 1.00 0.53 C ATOM 1888 C SER A 126 0.075 8.288 12.431 1.00 0.52 C ATOM 1889 O SER A 126 0.908 7.911 13.250 1.00 0.59 O ATOM 1890 CB SER A 126 -1.645 10.048 12.975 1.00 0.58 C ATOM 1891 OG SER A 126 -2.066 11.354 12.626 1.00 0.62 O ATOM 0 H SER A 126 -1.222 10.666 10.694 1.00 0.47 H new ATOM 0 HA SER A 126 0.497 10.320 12.848 1.00 0.53 H new ATOM 0 HB2 SER A 126 -2.378 9.314 12.641 1.00 0.58 H new ATOM 0 HB3 SER A 126 -1.571 9.954 14.058 1.00 0.58 H new ATOM 0 HG SER A 126 -2.936 11.538 13.037 1.00 0.62 H new ATOM 1897 N ASP A 127 -0.535 7.454 11.587 1.00 0.49 N ATOM 1898 CA ASP A 127 -0.291 6.020 11.582 1.00 0.57 C ATOM 1899 C ASP A 127 1.148 5.743 11.142 1.00 0.61 C ATOM 1900 O ASP A 127 1.886 4.984 11.766 1.00 0.70 O ATOM 1901 CB ASP A 127 -1.285 5.352 10.634 1.00 0.63 C ATOM 1902 CG ASP A 127 -1.110 3.849 10.709 1.00 1.06 C ATOM 1903 OD1 ASP A 127 -1.768 3.262 11.590 1.00 2.61 O ATOM 1904 OD2 ASP A 127 -0.300 3.345 9.903 1.00 1.58 O ATOM 0 H ASP A 127 -1.212 7.760 10.888 1.00 0.49 H new ATOM 0 HA ASP A 127 -0.426 5.613 12.584 1.00 0.57 H new ATOM 0 HB2 ASP A 127 -2.305 5.626 10.905 1.00 0.63 H new ATOM 0 HB3 ASP A 127 -1.122 5.699 9.614 1.00 0.63 H new ATOM 1909 N LEU A 128 1.566 6.431 10.082 1.00 0.57 N ATOM 1910 CA LEU A 128 2.910 6.320 9.537 1.00 0.60 C ATOM 1911 C LEU A 128 3.942 6.714 10.595 1.00 0.64 C ATOM 1912 O LEU A 128 4.966 6.050 10.753 1.00 0.66 O ATOM 1913 CB LEU A 128 3.032 7.172 8.272 1.00 0.59 C ATOM 1914 CG LEU A 128 2.105 6.660 7.160 1.00 0.66 C ATOM 1915 CD1 LEU A 128 2.202 7.614 5.972 1.00 0.73 C ATOM 1916 CD2 LEU A 128 2.452 5.230 6.727 1.00 0.81 C ATOM 0 H LEU A 128 0.972 7.087 9.575 1.00 0.57 H new ATOM 0 HA LEU A 128 3.107 5.285 9.259 1.00 0.60 H new ATOM 0 HB2 LEU A 128 2.786 8.208 8.504 1.00 0.59 H new ATOM 0 HB3 LEU A 128 4.064 7.160 7.922 1.00 0.59 H new ATOM 0 HG LEU A 128 1.085 6.630 7.544 1.00 0.66 H new ATOM 0 HD11 LEU A 128 1.549 7.266 5.171 1.00 0.73 H new ATOM 0 HD12 LEU A 128 1.895 8.613 6.282 1.00 0.73 H new ATOM 0 HD13 LEU A 128 3.231 7.645 5.614 1.00 0.73 H new ATOM 0 HD21 LEU A 128 1.769 4.913 5.939 1.00 0.81 H new ATOM 0 HD22 LEU A 128 3.476 5.201 6.353 1.00 0.81 H new ATOM 0 HD23 LEU A 128 2.358 4.559 7.581 1.00 0.81 H new ATOM 1928 N LYS A 129 3.659 7.783 11.342 1.00 0.69 N ATOM 1929 CA LYS A 129 4.441 8.154 12.505 1.00 0.83 C ATOM 1930 C LYS A 129 4.443 7.010 13.517 1.00 0.93 C ATOM 1931 O LYS A 129 5.505 6.505 13.846 1.00 1.11 O ATOM 1932 CB LYS A 129 3.964 9.485 13.094 1.00 0.88 C ATOM 1933 CG LYS A 129 4.310 10.639 12.139 1.00 0.89 C ATOM 1934 CD LYS A 129 4.945 11.850 12.836 1.00 1.10 C ATOM 1935 CE LYS A 129 6.432 11.672 13.209 1.00 3.02 C ATOM 1936 NZ LYS A 129 6.659 10.863 14.440 1.00 4.05 N ATOM 0 H LYS A 129 2.879 8.411 11.151 1.00 0.69 H new ATOM 0 HA LYS A 129 5.476 8.320 12.207 1.00 0.83 H new ATOM 0 HB2 LYS A 129 2.888 9.452 13.262 1.00 0.88 H new ATOM 0 HB3 LYS A 129 4.433 9.652 14.064 1.00 0.88 H new ATOM 0 HG2 LYS A 129 4.994 10.272 11.374 1.00 0.89 H new ATOM 0 HG3 LYS A 129 3.402 10.960 11.628 1.00 0.89 H new ATOM 0 HD2 LYS A 129 4.849 12.719 12.185 1.00 1.10 H new ATOM 0 HD3 LYS A 129 4.380 12.068 13.743 1.00 1.10 H new ATOM 0 HE2 LYS A 129 6.950 11.198 12.375 1.00 3.02 H new ATOM 0 HE3 LYS A 129 6.881 12.656 13.346 1.00 3.02 H new ATOM 0 HZ1 LYS A 129 7.602 11.074 14.825 1.00 4.05 H new ATOM 0 HZ2 LYS A 129 5.935 11.099 15.149 1.00 4.05 H new ATOM 0 HZ3 LYS A 129 6.599 9.851 14.207 1.00 4.05 H new ATOM 1950 N GLU A 130 3.280 6.540 13.967 1.00 0.88 N ATOM 1951 CA GLU A 130 3.221 5.434 14.926 1.00 1.00 C ATOM 1952 C GLU A 130 4.083 4.245 14.470 1.00 1.01 C ATOM 1953 O GLU A 130 4.803 3.634 15.263 1.00 1.19 O ATOM 1954 CB GLU A 130 1.759 5.028 15.149 1.00 1.02 C ATOM 1955 CG GLU A 130 1.055 6.006 16.105 1.00 1.40 C ATOM 1956 CD GLU A 130 1.161 5.590 17.572 1.00 1.98 C ATOM 1957 OE1 GLU A 130 2.048 4.764 17.887 1.00 2.22 O ATOM 1958 OE2 GLU A 130 0.336 6.104 18.357 1.00 3.24 O ATOM 0 H GLU A 130 2.370 6.904 13.686 1.00 0.88 H new ATOM 0 HA GLU A 130 3.637 5.768 15.877 1.00 1.00 H new ATOM 0 HB2 GLU A 130 1.234 5.006 14.194 1.00 1.02 H new ATOM 0 HB3 GLU A 130 1.717 4.019 15.559 1.00 1.02 H new ATOM 0 HG2 GLU A 130 1.487 6.999 15.983 1.00 1.40 H new ATOM 0 HG3 GLU A 130 0.003 6.080 15.830 1.00 1.40 H new ATOM 1965 N ALA A 131 4.048 3.935 13.172 1.00 0.84 N ATOM 1966 CA ALA A 131 4.841 2.871 12.590 1.00 0.81 C ATOM 1967 C ALA A 131 6.333 3.192 12.690 1.00 0.79 C ATOM 1968 O ALA A 131 7.104 2.405 13.239 1.00 0.83 O ATOM 1969 CB ALA A 131 4.406 2.634 11.141 1.00 0.75 C ATOM 0 H ALA A 131 3.461 4.425 12.497 1.00 0.84 H new ATOM 0 HA ALA A 131 4.673 1.950 13.149 1.00 0.81 H new ATOM 0 HB1 ALA A 131 5.005 1.833 10.708 1.00 0.75 H new ATOM 0 HB2 ALA A 131 3.353 2.352 11.119 1.00 0.75 H new ATOM 0 HB3 ALA A 131 4.550 3.547 10.564 1.00 0.75 H new ATOM 1975 N VAL A 132 6.776 4.326 12.144 1.00 0.75 N ATOM 1976 CA VAL A 132 8.196 4.611 12.041 1.00 0.78 C ATOM 1977 C VAL A 132 8.814 4.873 13.412 1.00 0.80 C ATOM 1978 O VAL A 132 9.972 4.532 13.659 1.00 0.84 O ATOM 1979 CB VAL A 132 8.423 5.764 11.062 1.00 0.76 C ATOM 1980 CG1 VAL A 132 8.074 7.111 11.701 1.00 1.81 C ATOM 1981 CG2 VAL A 132 9.886 5.727 10.621 1.00 1.34 C ATOM 0 H VAL A 132 6.169 5.055 11.769 1.00 0.75 H new ATOM 0 HA VAL A 132 8.707 3.733 11.645 1.00 0.78 H new ATOM 0 HB VAL A 132 7.770 5.650 10.197 1.00 0.76 H new ATOM 0 HG11 VAL A 132 8.246 7.911 10.981 1.00 1.81 H new ATOM 0 HG12 VAL A 132 7.026 7.111 12.000 1.00 1.81 H new ATOM 0 HG13 VAL A 132 8.702 7.271 12.578 1.00 1.81 H new ATOM 0 HG21 VAL A 132 10.076 6.541 9.921 1.00 1.34 H new ATOM 0 HG22 VAL A 132 10.532 5.840 11.492 1.00 1.34 H new ATOM 0 HG23 VAL A 132 10.096 4.774 10.135 1.00 1.34 H new ATOM 1991 N ASP A 133 8.028 5.432 14.329 1.00 0.78 N ATOM 1992 CA ASP A 133 8.451 5.634 15.690 1.00 0.81 C ATOM 1993 C ASP A 133 8.847 4.273 16.295 1.00 0.83 C ATOM 1994 O ASP A 133 9.846 4.185 17.005 1.00 0.84 O ATOM 1995 CB ASP A 133 7.362 6.411 16.451 1.00 0.79 C ATOM 1996 CG ASP A 133 7.453 7.933 16.244 1.00 1.56 C ATOM 1997 OD1 ASP A 133 6.979 8.454 15.204 1.00 3.25 O ATOM 1998 OD2 ASP A 133 8.000 8.599 17.146 1.00 1.69 O ATOM 0 H ASP A 133 7.080 5.754 14.137 1.00 0.78 H new ATOM 0 HA ASP A 133 9.344 6.256 15.760 1.00 0.81 H new ATOM 0 HB2 ASP A 133 6.381 6.064 16.126 1.00 0.79 H new ATOM 0 HB3 ASP A 133 7.442 6.189 17.515 1.00 0.79 H new ATOM 2003 N LYS A 134 8.150 3.184 15.933 1.00 0.89 N ATOM 2004 CA LYS A 134 8.542 1.820 16.299 1.00 0.94 C ATOM 2005 C LYS A 134 9.758 1.298 15.514 1.00 0.98 C ATOM 2006 O LYS A 134 10.455 0.417 16.012 1.00 1.23 O ATOM 2007 CB LYS A 134 7.341 0.868 16.180 1.00 0.97 C ATOM 2008 CG LYS A 134 6.356 1.112 17.330 1.00 0.86 C ATOM 2009 CD LYS A 134 4.960 0.586 16.971 1.00 1.28 C ATOM 2010 CE LYS A 134 3.955 0.816 18.109 1.00 1.86 C ATOM 2011 NZ LYS A 134 4.189 -0.082 19.258 1.00 2.63 N ATOM 0 H LYS A 134 7.296 3.229 15.376 1.00 0.89 H new ATOM 0 HA LYS A 134 8.863 1.855 17.340 1.00 0.94 H new ATOM 0 HB2 LYS A 134 6.840 1.020 15.224 1.00 0.97 H new ATOM 0 HB3 LYS A 134 7.684 -0.166 16.199 1.00 0.97 H new ATOM 0 HG2 LYS A 134 6.715 0.618 18.233 1.00 0.86 H new ATOM 0 HG3 LYS A 134 6.303 2.178 17.549 1.00 0.86 H new ATOM 0 HD2 LYS A 134 4.606 1.082 16.067 1.00 1.28 H new ATOM 0 HD3 LYS A 134 5.019 -0.479 16.748 1.00 1.28 H new ATOM 0 HE2 LYS A 134 4.019 1.852 18.442 1.00 1.86 H new ATOM 0 HE3 LYS A 134 2.943 0.664 17.733 1.00 1.86 H new ATOM 0 HZ1 LYS A 134 3.486 0.112 19.999 1.00 2.63 H new ATOM 0 HZ2 LYS A 134 4.102 -1.071 18.949 1.00 2.63 H new ATOM 0 HZ3 LYS A 134 5.144 0.080 19.636 1.00 2.63 H new ATOM 2025 N LEU A 135 10.048 1.820 14.315 1.00 0.80 N ATOM 2026 CA LEU A 135 11.335 1.567 13.661 1.00 0.78 C ATOM 2027 C LEU A 135 12.460 2.316 14.385 1.00 0.78 C ATOM 2028 O LEU A 135 13.624 1.940 14.258 1.00 0.86 O ATOM 2029 CB LEU A 135 11.326 1.969 12.173 1.00 0.69 C ATOM 2030 CG LEU A 135 10.808 0.913 11.190 1.00 0.74 C ATOM 2031 CD1 LEU A 135 11.725 -0.320 11.170 1.00 0.74 C ATOM 2032 CD2 LEU A 135 9.359 0.537 11.515 1.00 0.92 C ATOM 0 H LEU A 135 9.413 2.415 13.783 1.00 0.80 H new ATOM 0 HA LEU A 135 11.510 0.493 13.716 1.00 0.78 H new ATOM 0 HB2 LEU A 135 10.717 2.866 12.064 1.00 0.69 H new ATOM 0 HB3 LEU A 135 12.342 2.237 11.884 1.00 0.69 H new ATOM 0 HG LEU A 135 10.821 1.341 10.188 1.00 0.74 H new ATOM 0 HD11 LEU A 135 11.334 -1.053 10.464 1.00 0.74 H new ATOM 0 HD12 LEU A 135 12.728 -0.022 10.865 1.00 0.74 H new ATOM 0 HD13 LEU A 135 11.764 -0.761 12.166 1.00 0.74 H new ATOM 0 HD21 LEU A 135 9.010 -0.214 10.806 1.00 0.92 H new ATOM 0 HD22 LEU A 135 9.306 0.133 12.526 1.00 0.92 H new ATOM 0 HD23 LEU A 135 8.729 1.423 11.445 1.00 0.92 H new ATOM 2044 N GLY A 136 12.121 3.377 15.119 1.00 0.76 N ATOM 2045 CA GLY A 136 13.073 4.170 15.876 1.00 0.78 C ATOM 2046 C GLY A 136 13.693 5.254 15.003 1.00 0.76 C ATOM 2047 O GLY A 136 14.865 5.581 15.171 1.00 0.82 O ATOM 0 H GLY A 136 11.160 3.709 15.201 1.00 0.76 H new ATOM 0 HA2 GLY A 136 12.574 4.627 16.730 1.00 0.78 H new ATOM 0 HA3 GLY A 136 13.857 3.524 16.272 1.00 0.78 H new ATOM 2051 N TYR A 137 12.902 5.829 14.090 1.00 0.75 N ATOM 2052 CA TYR A 137 13.287 6.994 13.300 1.00 0.75 C ATOM 2053 C TYR A 137 12.125 7.982 13.327 1.00 0.81 C ATOM 2054 O TYR A 137 11.053 7.645 13.826 1.00 1.08 O ATOM 2055 CB TYR A 137 13.620 6.586 11.861 1.00 0.71 C ATOM 2056 CG TYR A 137 14.526 5.377 11.722 1.00 0.71 C ATOM 2057 CD1 TYR A 137 15.811 5.384 12.292 1.00 1.50 C ATOM 2058 CD2 TYR A 137 14.041 4.204 11.117 1.00 2.12 C ATOM 2059 CE1 TYR A 137 16.562 4.198 12.343 1.00 1.54 C ATOM 2060 CE2 TYR A 137 14.821 3.038 11.105 1.00 2.14 C ATOM 2061 CZ TYR A 137 16.055 3.019 11.772 1.00 0.85 C ATOM 2062 OH TYR A 137 16.826 1.895 11.739 1.00 1.01 O ATOM 0 H TYR A 137 11.963 5.490 13.879 1.00 0.75 H new ATOM 0 HA TYR A 137 14.181 7.455 13.720 1.00 0.75 H new ATOM 0 HB2 TYR A 137 12.688 6.383 11.334 1.00 0.71 H new ATOM 0 HB3 TYR A 137 14.092 7.432 11.361 1.00 0.71 H new ATOM 0 HD1 TYR A 137 16.220 6.301 12.690 1.00 1.50 H new ATOM 0 HD2 TYR A 137 13.063 4.201 10.659 1.00 2.12 H new ATOM 0 HE1 TYR A 137 17.530 4.193 12.822 1.00 1.54 H new ATOM 0 HE2 TYR A 137 14.473 2.158 10.584 1.00 2.14 H new ATOM 0 HH TYR A 137 17.687 2.101 11.319 1.00 1.01 H new ATOM 2072 N LYS A 138 12.317 9.187 12.784 1.00 0.67 N ATOM 2073 CA LYS A 138 11.295 10.216 12.751 1.00 0.67 C ATOM 2074 C LYS A 138 11.051 10.542 11.287 1.00 0.63 C ATOM 2075 O LYS A 138 11.990 10.889 10.564 1.00 0.58 O ATOM 2076 CB LYS A 138 11.735 11.445 13.556 1.00 0.78 C ATOM 2077 CG LYS A 138 13.217 11.738 13.344 1.00 1.18 C ATOM 2078 CD LYS A 138 13.638 13.071 13.969 1.00 1.45 C ATOM 2079 CE LYS A 138 15.060 13.020 14.556 1.00 2.46 C ATOM 2080 NZ LYS A 138 15.610 14.371 14.799 1.00 2.83 N ATOM 0 H LYS A 138 13.197 9.470 12.353 1.00 0.67 H new ATOM 0 HA LYS A 138 10.369 9.874 13.214 1.00 0.67 H new ATOM 0 HB2 LYS A 138 11.144 12.310 13.257 1.00 0.78 H new ATOM 0 HB3 LYS A 138 11.542 11.278 14.616 1.00 0.78 H new ATOM 0 HG2 LYS A 138 13.810 10.932 13.776 1.00 1.18 H new ATOM 0 HG3 LYS A 138 13.433 11.755 12.276 1.00 1.18 H new ATOM 0 HD2 LYS A 138 13.587 13.855 13.214 1.00 1.45 H new ATOM 0 HD3 LYS A 138 12.933 13.340 14.755 1.00 1.45 H new ATOM 0 HE2 LYS A 138 15.046 12.461 15.492 1.00 2.46 H new ATOM 0 HE3 LYS A 138 15.715 12.480 13.872 1.00 2.46 H new ATOM 0 HZ1 LYS A 138 16.217 14.352 15.643 1.00 2.83 H new ATOM 0 HZ2 LYS A 138 16.170 14.671 13.976 1.00 2.83 H new ATOM 0 HZ3 LYS A 138 14.830 15.042 14.949 1.00 2.83 H new ATOM 2094 N LEU A 139 9.797 10.418 10.851 1.00 0.76 N ATOM 2095 CA LEU A 139 9.416 10.929 9.552 1.00 0.66 C ATOM 2096 C LEU A 139 9.048 12.400 9.674 1.00 0.66 C ATOM 2097 O LEU A 139 8.613 12.866 10.730 1.00 0.77 O ATOM 2098 CB LEU A 139 8.253 10.145 8.940 1.00 0.78 C ATOM 2099 CG LEU A 139 8.683 8.741 8.507 1.00 0.68 C ATOM 2100 CD1 LEU A 139 7.445 7.898 8.212 1.00 1.67 C ATOM 2101 CD2 LEU A 139 9.577 8.722 7.268 1.00 1.12 C ATOM 0 H LEU A 139 9.044 9.973 11.376 1.00 0.76 H new ATOM 0 HA LEU A 139 10.269 10.812 8.884 1.00 0.66 H new ATOM 0 HB2 LEU A 139 7.443 10.070 9.665 1.00 0.78 H new ATOM 0 HB3 LEU A 139 7.861 10.687 8.079 1.00 0.78 H new ATOM 0 HG LEU A 139 9.265 8.336 9.335 1.00 0.68 H new ATOM 0 HD11 LEU A 139 7.751 6.898 7.904 1.00 1.67 H new ATOM 0 HD12 LEU A 139 6.830 7.829 9.109 1.00 1.67 H new ATOM 0 HD13 LEU A 139 6.869 8.364 7.412 1.00 1.67 H new ATOM 0 HD21 LEU A 139 9.839 7.692 7.024 1.00 1.12 H new ATOM 0 HD22 LEU A 139 9.045 9.169 6.428 1.00 1.12 H new ATOM 0 HD23 LEU A 139 10.486 9.291 7.466 1.00 1.12 H new ATOM 2113 N LYS A 140 9.207 13.102 8.561 1.00 0.65 N ATOM 2114 CA LYS A 140 8.813 14.476 8.338 1.00 0.66 C ATOM 2115 C LYS A 140 8.079 14.515 6.998 1.00 0.59 C ATOM 2116 O LYS A 140 8.042 13.521 6.274 1.00 0.63 O ATOM 2117 CB LYS A 140 10.078 15.345 8.317 1.00 0.73 C ATOM 2118 CG LYS A 140 10.571 15.701 9.722 1.00 0.91 C ATOM 2119 CD LYS A 140 9.698 16.803 10.343 1.00 1.85 C ATOM 2120 CE LYS A 140 9.103 16.360 11.686 1.00 3.49 C ATOM 2121 NZ LYS A 140 8.189 17.383 12.236 1.00 4.57 N ATOM 0 H LYS A 140 9.646 12.693 7.736 1.00 0.65 H new ATOM 0 HA LYS A 140 8.157 14.857 9.121 1.00 0.66 H new ATOM 0 HB2 LYS A 140 10.868 14.818 7.782 1.00 0.73 H new ATOM 0 HB3 LYS A 140 9.875 16.262 7.764 1.00 0.73 H new ATOM 0 HG2 LYS A 140 10.550 14.814 10.355 1.00 0.91 H new ATOM 0 HG3 LYS A 140 11.608 16.035 9.675 1.00 0.91 H new ATOM 0 HD2 LYS A 140 10.295 17.703 10.488 1.00 1.85 H new ATOM 0 HD3 LYS A 140 8.893 17.062 9.655 1.00 1.85 H new ATOM 0 HE2 LYS A 140 8.564 15.422 11.555 1.00 3.49 H new ATOM 0 HE3 LYS A 140 9.907 16.169 12.396 1.00 3.49 H new ATOM 0 HZ1 LYS A 140 7.804 17.053 13.144 1.00 4.57 H new ATOM 0 HZ2 LYS A 140 8.710 18.271 12.384 1.00 4.57 H new ATOM 0 HZ3 LYS A 140 7.409 17.546 11.568 1.00 4.57 H new ATOM 2135 N LEU A 141 7.477 15.657 6.680 1.00 0.54 N ATOM 2136 CA LEU A 141 6.717 15.860 5.450 1.00 0.51 C ATOM 2137 C LEU A 141 7.301 17.000 4.614 1.00 0.63 C ATOM 2138 O LEU A 141 7.819 17.973 5.165 1.00 0.84 O ATOM 2139 CB LEU A 141 5.246 16.130 5.780 1.00 0.77 C ATOM 2140 CG LEU A 141 4.603 14.985 6.582 1.00 1.13 C ATOM 2141 CD1 LEU A 141 4.740 15.164 8.104 1.00 1.23 C ATOM 2142 CD2 LEU A 141 3.118 14.884 6.220 1.00 1.94 C ATOM 0 H LEU A 141 7.504 16.482 7.280 1.00 0.54 H new ATOM 0 HA LEU A 141 6.785 14.949 4.855 1.00 0.51 H new ATOM 0 HB2 LEU A 141 5.169 17.056 6.349 1.00 0.77 H new ATOM 0 HB3 LEU A 141 4.690 16.278 4.854 1.00 0.77 H new ATOM 0 HG LEU A 141 5.135 14.072 6.316 1.00 1.13 H new ATOM 0 HD11 LEU A 141 4.267 14.324 8.613 1.00 1.23 H new ATOM 0 HD12 LEU A 141 5.796 15.203 8.372 1.00 1.23 H new ATOM 0 HD13 LEU A 141 4.255 16.092 8.406 1.00 1.23 H new ATOM 0 HD21 LEU A 141 2.660 14.074 6.787 1.00 1.94 H new ATOM 0 HD22 LEU A 141 2.620 15.823 6.462 1.00 1.94 H new ATOM 0 HD23 LEU A 141 3.016 14.684 5.153 1.00 1.94 H new ATOM 2154 N LYS A 142 7.160 16.929 3.284 1.00 0.71 N ATOM 2155 CA LYS A 142 7.564 18.036 2.420 1.00 1.05 C ATOM 2156 C LYS A 142 6.487 19.126 2.503 1.00 1.47 C ATOM 2157 O LYS A 142 5.555 19.190 1.701 1.00 1.83 O ATOM 2158 CB LYS A 142 7.752 17.573 0.962 1.00 1.30 C ATOM 2159 CG LYS A 142 9.165 17.074 0.619 1.00 1.42 C ATOM 2160 CD LYS A 142 9.603 15.851 1.434 1.00 1.91 C ATOM 2161 CE LYS A 142 10.999 15.362 1.024 1.00 2.32 C ATOM 2162 NZ LYS A 142 11.010 14.702 -0.300 1.00 3.16 N ATOM 0 H LYS A 142 6.773 16.124 2.791 1.00 0.71 H new ATOM 0 HA LYS A 142 8.524 18.426 2.757 1.00 1.05 H new ATOM 0 HB2 LYS A 142 7.040 16.774 0.755 1.00 1.30 H new ATOM 0 HB3 LYS A 142 7.504 18.401 0.298 1.00 1.30 H new ATOM 0 HG2 LYS A 142 9.205 16.826 -0.442 1.00 1.42 H new ATOM 0 HG3 LYS A 142 9.876 17.883 0.784 1.00 1.42 H new ATOM 0 HD2 LYS A 142 9.603 16.102 2.495 1.00 1.91 H new ATOM 0 HD3 LYS A 142 8.881 15.046 1.297 1.00 1.91 H new ATOM 0 HE2 LYS A 142 11.685 16.209 1.008 1.00 2.32 H new ATOM 0 HE3 LYS A 142 11.370 14.665 1.775 1.00 2.32 H new ATOM 0 HZ1 LYS A 142 11.992 14.514 -0.586 1.00 3.16 H new ATOM 0 HZ2 LYS A 142 10.488 13.804 -0.245 1.00 3.16 H new ATOM 0 HZ3 LYS A 142 10.558 15.323 -1.001 1.00 3.16 H new