USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 741 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 84 HIS : no HD1:sc= 1.37 K(o=2.7,f=-9!) USER MOD Set 1.2: A 86 THR OG1 : rot -79:sc= 1.3 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.972 K(o=1.5,f=-0.074) USER MOD Set 2.2: A 78 TYR OH : rot -76:sc= 0.541 USER MOD Set 3.1: A 20 SER OG : rot 180:sc= 0.0751 USER MOD Set 3.2: A 71 THR OG1 : rot -77:sc= 0.0763 USER MOD Set 4.1: A 19 LYS NZ :NH3+ 179:sc= 0.191 (180deg=0.191) USER MOD Set 4.2: A 21 ASN : amide:sc= -0.848 K(o=-0.66,f=-2.3!) USER MOD Set 5.1: A 10 TYR OH : rot 180:sc= 0.345 USER MOD Set 5.2: A 24 ASN : amide:sc= 0.387 K(o=0.73,f=-2.3!) USER MOD Set 6.1: A 8 GLN : amide:sc= 0.462 K(o=0.92,f=-0.13) USER MOD Set 6.2: A 28 SER OG : rot -131:sc= 0.458 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00922 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 148:sc= 0.839 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 26 TYR OH : rot 122:sc= 0.892 USER MOD Single : A 31 HIS : no HE2:sc= -0.737 X(o=-0.74,f=-0.57) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0753) USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0.397 (180deg=0.324) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 52 SER OG : rot 180:sc= 0.115 USER MOD Single : A 55 SER OG : rot 68:sc= 0.00161 USER MOD Single : A 57 SER OG : rot -8:sc= 0.568 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.0351 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -140:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -170:sc=-0.00409 (180deg=-0.105) USER MOD Single : A 83 ASN : amide:sc= -0.36 K(o=-0.36,f=-5.2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0108) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 3.106 -5.909 -3.046 1.00 4.33 N ATOM 40 CA GLN A 2 2.955 -6.755 -4.220 1.00 31.20 C ATOM 41 C GLN A 2 3.757 -8.040 -4.012 1.00 74.42 C ATOM 42 O GLN A 2 4.880 -8.164 -4.499 1.00 40.44 O ATOM 43 CB GLN A 2 3.413 -5.992 -5.470 1.00 2.01 C ATOM 44 CG GLN A 2 2.548 -4.754 -5.739 1.00 62.15 C ATOM 45 CD GLN A 2 3.046 -3.968 -6.950 1.00 40.21 C ATOM 46 OE1 GLN A 2 3.425 -2.806 -6.821 1.00 62.35 O ATOM 47 NE2 GLN A 2 3.047 -4.595 -8.129 1.00 54.45 N ATOM 0 HA GLN A 2 1.909 -7.024 -4.365 1.00 31.20 H new ATOM 0 HB2 GLN A 2 4.453 -5.688 -5.348 1.00 2.01 H new ATOM 0 HB3 GLN A 2 3.374 -6.656 -6.334 1.00 2.01 H new ATOM 0 HG2 GLN A 2 1.515 -5.061 -5.904 1.00 62.15 H new ATOM 0 HG3 GLN A 2 2.552 -4.109 -4.860 1.00 62.15 H new ATOM 0 HE21 GLN A 2 2.724 -5.560 -8.193 1.00 54.45 H new ATOM 0 HE22 GLN A 2 3.371 -4.109 -8.965 1.00 54.45 H new ATOM 56 N ARG A 3 3.172 -8.989 -3.273 1.00 11.13 N ATOM 57 CA ARG A 3 3.785 -10.277 -2.975 1.00 45.34 C ATOM 58 C ARG A 3 4.018 -11.053 -4.273 1.00 20.25 C ATOM 59 O ARG A 3 3.127 -11.132 -5.118 1.00 11.41 O ATOM 60 CB ARG A 3 2.906 -11.086 -2.011 1.00 41.31 C ATOM 61 CG ARG A 3 2.599 -10.325 -0.717 1.00 34.23 C ATOM 62 CD ARG A 3 1.778 -11.206 0.229 1.00 73.23 C ATOM 63 NE ARG A 3 1.409 -10.482 1.451 1.00 3.11 N ATOM 64 CZ ARG A 3 2.214 -10.277 2.507 1.00 13.20 C ATOM 65 NH1 ARG A 3 3.477 -10.731 2.514 1.00 34.52 N ATOM 66 NH2 ARG A 3 1.749 -9.605 3.569 1.00 20.44 N ATOM 0 H ARG A 3 2.245 -8.877 -2.861 1.00 11.13 H new ATOM 0 HA ARG A 3 4.746 -10.105 -2.490 1.00 45.34 H new ATOM 0 HB2 ARG A 3 1.971 -11.344 -2.507 1.00 41.31 H new ATOM 0 HB3 ARG A 3 3.407 -12.023 -1.767 1.00 41.31 H new ATOM 0 HG2 ARG A 3 3.528 -10.026 -0.233 1.00 34.23 H new ATOM 0 HG3 ARG A 3 2.049 -9.412 -0.945 1.00 34.23 H new ATOM 0 HD2 ARG A 3 0.876 -11.547 -0.280 1.00 73.23 H new ATOM 0 HD3 ARG A 3 2.352 -12.095 0.490 1.00 73.23 H new ATOM 0 HE ARG A 3 0.463 -10.103 1.503 1.00 3.11 H new ATOM 0 HH11 ARG A 3 3.840 -11.241 1.709 1.00 34.52 H new ATOM 0 HH12 ARG A 3 4.074 -10.566 3.325 1.00 34.52 H new ATOM 0 HH21 ARG A 3 0.791 -9.254 3.571 1.00 20.44 H new ATOM 0 HH22 ARG A 3 2.353 -9.445 4.375 1.00 20.44 H new ATOM 80 N THR A 4 5.228 -11.600 -4.434 1.00 61.35 N ATOM 81 CA THR A 4 5.656 -12.297 -5.638 1.00 0.41 C ATOM 82 C THR A 4 5.316 -13.789 -5.539 1.00 13.31 C ATOM 83 O THR A 4 5.294 -14.332 -4.435 1.00 43.44 O ATOM 84 CB THR A 4 7.169 -12.097 -5.827 1.00 72.15 C ATOM 85 OG1 THR A 4 7.865 -12.499 -4.664 1.00 31.22 O ATOM 86 CG2 THR A 4 7.496 -10.634 -6.139 1.00 34.23 C ATOM 0 H THR A 4 5.948 -11.566 -3.712 1.00 61.35 H new ATOM 0 HA THR A 4 5.131 -11.888 -6.501 1.00 0.41 H new ATOM 0 HB THR A 4 7.485 -12.712 -6.670 1.00 72.15 H new ATOM 0 HG1 THR A 4 8.827 -12.369 -4.797 1.00 31.22 H new ATOM 0 HG21 THR A 4 8.572 -10.521 -6.268 1.00 34.23 H new ATOM 0 HG22 THR A 4 6.988 -10.335 -7.056 1.00 34.23 H new ATOM 0 HG23 THR A 4 7.161 -10.003 -5.316 1.00 34.23 H new ATOM 94 N PRO A 5 5.078 -14.468 -6.675 1.00 74.32 N ATOM 95 CA PRO A 5 4.805 -15.897 -6.722 1.00 64.14 C ATOM 96 C PRO A 5 6.026 -16.689 -6.248 1.00 21.34 C ATOM 97 O PRO A 5 7.007 -16.805 -6.980 1.00 61.35 O ATOM 98 CB PRO A 5 4.464 -16.197 -8.188 1.00 3.12 C ATOM 99 CG PRO A 5 5.151 -15.083 -8.970 1.00 24.23 C ATOM 100 CD PRO A 5 5.059 -13.900 -8.013 1.00 42.54 C ATOM 0 HA PRO A 5 3.986 -16.186 -6.064 1.00 64.14 H new ATOM 0 HB2 PRO A 5 4.830 -17.179 -8.489 1.00 3.12 H new ATOM 0 HB3 PRO A 5 3.387 -16.194 -8.355 1.00 3.12 H new ATOM 0 HG2 PRO A 5 6.185 -15.333 -9.208 1.00 24.23 H new ATOM 0 HG3 PRO A 5 4.647 -14.880 -9.915 1.00 24.23 H new ATOM 0 HD2 PRO A 5 5.894 -13.214 -8.158 1.00 42.54 H new ATOM 0 HD3 PRO A 5 4.145 -13.330 -8.183 1.00 42.54 H new ATOM 108 N LYS A 6 5.964 -17.232 -5.024 1.00 54.03 N ATOM 109 CA LYS A 6 7.030 -18.050 -4.462 1.00 0.10 C ATOM 110 C LYS A 6 6.963 -19.452 -5.070 1.00 20.10 C ATOM 111 O LYS A 6 5.901 -20.071 -5.108 1.00 24.44 O ATOM 112 CB LYS A 6 6.938 -18.066 -2.932 1.00 20.32 C ATOM 113 CG LYS A 6 8.058 -18.913 -2.314 1.00 11.52 C ATOM 114 CD LYS A 6 8.092 -18.734 -0.794 1.00 13.14 C ATOM 115 CE LYS A 6 9.226 -19.565 -0.186 1.00 53.33 C ATOM 116 NZ LYS A 6 9.317 -19.368 1.270 1.00 1.10 N ATOM 0 H LYS A 6 5.167 -17.111 -4.399 1.00 54.03 H new ATOM 0 HA LYS A 6 8.002 -17.625 -4.712 1.00 0.10 H new ATOM 0 HB2 LYS A 6 6.998 -17.046 -2.551 1.00 20.32 H new ATOM 0 HB3 LYS A 6 5.969 -18.463 -2.628 1.00 20.32 H new ATOM 0 HG2 LYS A 6 7.904 -19.964 -2.559 1.00 11.52 H new ATOM 0 HG3 LYS A 6 9.018 -18.624 -2.741 1.00 11.52 H new ATOM 0 HD2 LYS A 6 8.231 -17.681 -0.548 1.00 13.14 H new ATOM 0 HD3 LYS A 6 7.138 -19.038 -0.364 1.00 13.14 H new ATOM 0 HE2 LYS A 6 9.061 -20.621 -0.402 1.00 53.33 H new ATOM 0 HE3 LYS A 6 10.172 -19.288 -0.652 1.00 53.33 H new ATOM 0 HZ1 LYS A 6 10.094 -19.945 1.650 1.00 1.10 H new ATOM 0 HZ2 LYS A 6 9.498 -18.364 1.474 1.00 1.10 H new ATOM 0 HZ3 LYS A 6 8.423 -19.656 1.716 1.00 1.10 H new ATOM 130 N ILE A 7 8.109 -19.915 -5.580 1.00 0.14 N ATOM 131 CA ILE A 7 8.222 -21.054 -6.476 1.00 33.22 C ATOM 132 C ILE A 7 8.512 -22.314 -5.658 1.00 13.41 C ATOM 133 O ILE A 7 9.532 -22.378 -4.973 1.00 63.32 O ATOM 134 CB ILE A 7 9.339 -20.757 -7.497 1.00 60.45 C ATOM 135 CG1 ILE A 7 9.021 -19.483 -8.308 1.00 52.32 C ATOM 136 CG2 ILE A 7 9.522 -21.944 -8.448 1.00 4.40 C ATOM 137 CD1 ILE A 7 10.231 -18.957 -9.083 1.00 4.01 C ATOM 0 H ILE A 7 9.010 -19.487 -5.369 1.00 0.14 H new ATOM 0 HA ILE A 7 7.293 -21.224 -7.020 1.00 33.22 H new ATOM 0 HB ILE A 7 10.264 -20.595 -6.944 1.00 60.45 H new ATOM 0 HG12 ILE A 7 8.212 -19.695 -9.007 1.00 52.32 H new ATOM 0 HG13 ILE A 7 8.663 -18.707 -7.632 1.00 52.32 H new ATOM 0 HG21 ILE A 7 10.314 -21.719 -9.163 1.00 4.40 H new ATOM 0 HG22 ILE A 7 9.792 -22.831 -7.875 1.00 4.40 H new ATOM 0 HG23 ILE A 7 8.591 -22.128 -8.984 1.00 4.40 H new ATOM 0 HD11 ILE A 7 9.948 -18.060 -9.634 1.00 4.01 H new ATOM 0 HD12 ILE A 7 11.033 -18.716 -8.385 1.00 4.01 H new ATOM 0 HD13 ILE A 7 10.575 -19.719 -9.782 1.00 4.01 H new ATOM 149 N GLN A 8 7.619 -23.311 -5.740 1.00 22.45 N ATOM 150 CA GLN A 8 7.757 -24.598 -5.068 1.00 41.12 C ATOM 151 C GLN A 8 7.306 -25.701 -6.034 1.00 11.40 C ATOM 152 O GLN A 8 6.198 -26.218 -5.906 1.00 40.54 O ATOM 153 CB GLN A 8 6.929 -24.611 -3.770 1.00 71.35 C ATOM 154 CG GLN A 8 7.352 -23.543 -2.750 1.00 21.54 C ATOM 155 CD GLN A 8 6.368 -23.447 -1.584 1.00 15.13 C ATOM 156 OE1 GLN A 8 5.850 -22.370 -1.296 1.00 51.43 O ATOM 157 NE2 GLN A 8 6.103 -24.568 -0.909 1.00 41.41 N ATOM 0 H GLN A 8 6.763 -23.237 -6.290 1.00 22.45 H new ATOM 0 HA GLN A 8 8.797 -24.772 -4.790 1.00 41.12 H new ATOM 0 HB2 GLN A 8 5.878 -24.465 -4.020 1.00 71.35 H new ATOM 0 HB3 GLN A 8 7.013 -25.594 -3.307 1.00 71.35 H new ATOM 0 HG2 GLN A 8 8.345 -23.779 -2.368 1.00 21.54 H new ATOM 0 HG3 GLN A 8 7.423 -22.575 -3.246 1.00 21.54 H new ATOM 0 HE21 GLN A 8 6.552 -25.443 -1.178 1.00 41.41 H new ATOM 0 HE22 GLN A 8 5.451 -24.549 -0.125 1.00 41.41 H new ATOM 166 N VAL A 9 8.162 -26.037 -7.011 1.00 35.23 N ATOM 167 CA VAL A 9 7.862 -26.995 -8.073 1.00 11.44 C ATOM 168 C VAL A 9 8.502 -28.347 -7.769 1.00 33.12 C ATOM 169 O VAL A 9 9.652 -28.589 -8.132 1.00 44.42 O ATOM 170 CB VAL A 9 8.342 -26.453 -9.423 1.00 51.11 C ATOM 171 CG1 VAL A 9 8.021 -27.433 -10.556 1.00 64.22 C ATOM 172 CG2 VAL A 9 7.679 -25.110 -9.736 1.00 22.42 C ATOM 0 H VAL A 9 9.099 -25.640 -7.082 1.00 35.23 H new ATOM 0 HA VAL A 9 6.783 -27.137 -8.124 1.00 11.44 H new ATOM 0 HB VAL A 9 9.422 -26.322 -9.352 1.00 51.11 H new ATOM 0 HG11 VAL A 9 8.373 -27.023 -11.503 1.00 64.22 H new ATOM 0 HG12 VAL A 9 8.518 -28.384 -10.366 1.00 64.22 H new ATOM 0 HG13 VAL A 9 6.944 -27.590 -10.607 1.00 64.22 H new ATOM 0 HG21 VAL A 9 8.035 -24.744 -10.699 1.00 22.42 H new ATOM 0 HG22 VAL A 9 6.597 -25.238 -9.774 1.00 22.42 H new ATOM 0 HG23 VAL A 9 7.932 -24.389 -8.958 1.00 22.42 H new ATOM 182 N TYR A 10 7.739 -29.211 -7.099 1.00 21.21 N ATOM 183 CA TYR A 10 8.218 -30.494 -6.597 1.00 14.25 C ATOM 184 C TYR A 10 7.524 -31.681 -7.263 1.00 35.21 C ATOM 185 O TYR A 10 6.453 -31.542 -7.855 1.00 11.44 O ATOM 186 CB TYR A 10 8.070 -30.536 -5.068 1.00 42.21 C ATOM 187 CG TYR A 10 6.657 -30.373 -4.536 1.00 60.21 C ATOM 188 CD1 TYR A 10 5.857 -31.505 -4.294 1.00 4.03 C ATOM 189 CD2 TYR A 10 6.178 -29.095 -4.192 1.00 73.12 C ATOM 190 CE1 TYR A 10 4.573 -31.358 -3.740 1.00 0.53 C ATOM 191 CE2 TYR A 10 4.887 -28.944 -3.659 1.00 20.35 C ATOM 192 CZ TYR A 10 4.079 -30.075 -3.443 1.00 3.12 C ATOM 193 OH TYR A 10 2.811 -29.930 -2.957 1.00 21.51 O ATOM 0 H TYR A 10 6.757 -29.034 -6.888 1.00 21.21 H new ATOM 0 HA TYR A 10 9.273 -30.584 -6.855 1.00 14.25 H new ATOM 0 HB2 TYR A 10 8.466 -31.486 -4.710 1.00 42.21 H new ATOM 0 HB3 TYR A 10 8.692 -29.750 -4.640 1.00 42.21 H new ATOM 0 HD1 TYR A 10 6.230 -32.490 -4.534 1.00 4.03 H new ATOM 0 HD2 TYR A 10 6.805 -28.228 -4.338 1.00 73.12 H new ATOM 0 HE1 TYR A 10 3.967 -32.230 -3.543 1.00 0.53 H new ATOM 0 HE2 TYR A 10 4.515 -27.960 -3.415 1.00 20.35 H new ATOM 0 HH TYR A 10 2.626 -28.980 -2.804 1.00 21.51 H new ATOM 203 N SER A 11 8.155 -32.855 -7.138 1.00 72.23 N ATOM 204 CA SER A 11 7.650 -34.131 -7.621 1.00 31.33 C ATOM 205 C SER A 11 6.674 -34.706 -6.598 1.00 53.22 C ATOM 206 O SER A 11 7.027 -34.847 -5.427 1.00 32.11 O ATOM 207 CB SER A 11 8.811 -35.119 -7.809 1.00 64.12 C ATOM 208 OG SER A 11 9.882 -34.527 -8.504 1.00 21.30 O ATOM 0 H SER A 11 9.063 -32.938 -6.680 1.00 72.23 H new ATOM 0 HA SER A 11 7.147 -33.976 -8.576 1.00 31.33 H new ATOM 0 HB2 SER A 11 9.155 -35.467 -6.835 1.00 64.12 H new ATOM 0 HB3 SER A 11 8.461 -35.995 -8.355 1.00 64.12 H new ATOM 0 HG SER A 11 10.727 -34.916 -8.196 1.00 21.30 H new ATOM 214 N ARG A 12 5.464 -35.072 -7.037 1.00 20.13 N ATOM 215 CA ARG A 12 4.516 -35.778 -6.187 1.00 60.23 C ATOM 216 C ARG A 12 4.938 -37.247 -6.091 1.00 51.55 C ATOM 217 O ARG A 12 5.331 -37.706 -5.020 1.00 43.13 O ATOM 218 CB ARG A 12 3.087 -35.604 -6.722 1.00 0.01 C ATOM 219 CG ARG A 12 2.013 -36.151 -5.771 1.00 1.23 C ATOM 220 CD ARG A 12 1.909 -35.309 -4.494 1.00 31.41 C ATOM 221 NE ARG A 12 0.727 -35.672 -3.706 1.00 61.11 N ATOM 222 CZ ARG A 12 0.280 -34.979 -2.645 1.00 3.10 C ATOM 223 NH1 ARG A 12 0.930 -33.886 -2.215 1.00 62.13 N ATOM 224 NH2 ARG A 12 -0.828 -35.385 -2.010 1.00 40.02 N ATOM 0 H ARG A 12 5.123 -34.887 -7.981 1.00 20.13 H new ATOM 0 HA ARG A 12 4.520 -35.360 -5.180 1.00 60.23 H new ATOM 0 HB2 ARG A 12 2.899 -34.545 -6.901 1.00 0.01 H new ATOM 0 HB3 ARG A 12 3.002 -36.109 -7.684 1.00 0.01 H new ATOM 0 HG2 ARG A 12 1.049 -36.164 -6.279 1.00 1.23 H new ATOM 0 HG3 ARG A 12 2.249 -37.182 -5.509 1.00 1.23 H new ATOM 0 HD2 ARG A 12 2.806 -35.448 -3.891 1.00 31.41 H new ATOM 0 HD3 ARG A 12 1.862 -34.252 -4.757 1.00 31.41 H new ATOM 0 HE ARG A 12 0.209 -36.507 -3.982 1.00 61.11 H new ATOM 0 HH11 ARG A 12 1.774 -33.573 -2.695 1.00 62.13 H new ATOM 0 HH12 ARG A 12 0.580 -33.369 -1.408 1.00 62.13 H new ATOM 0 HH21 ARG A 12 -1.326 -36.215 -2.333 1.00 40.02 H new ATOM 0 HH22 ARG A 12 -1.174 -34.864 -1.204 1.00 40.02 H new ATOM 238 N HIS A 13 4.869 -37.968 -7.218 1.00 33.23 N ATOM 239 CA HIS A 13 5.244 -39.372 -7.335 1.00 54.12 C ATOM 240 C HIS A 13 6.662 -39.481 -7.920 1.00 33.30 C ATOM 241 O HIS A 13 7.099 -38.571 -8.623 1.00 52.35 O ATOM 242 CB HIS A 13 4.212 -40.073 -8.225 1.00 12.31 C ATOM 243 CG HIS A 13 2.827 -40.069 -7.633 1.00 64.34 C ATOM 244 ND1 HIS A 13 2.345 -41.100 -6.841 1.00 22.52 N ATOM 245 CD2 HIS A 13 1.806 -39.151 -7.694 1.00 73.42 C ATOM 246 CE1 HIS A 13 1.102 -40.759 -6.458 1.00 2.21 C ATOM 247 NE2 HIS A 13 0.715 -39.578 -6.944 1.00 65.14 N ATOM 0 H HIS A 13 4.539 -37.572 -8.098 1.00 33.23 H new ATOM 0 HA HIS A 13 5.253 -39.854 -6.358 1.00 54.12 H new ATOM 0 HB2 HIS A 13 4.187 -39.583 -9.198 1.00 12.31 H new ATOM 0 HB3 HIS A 13 4.526 -41.103 -8.395 1.00 12.31 H new ATOM 0 HD2 HIS A 13 1.845 -38.225 -8.248 1.00 73.42 H new ATOM 0 HE1 HIS A 13 0.482 -41.376 -5.824 1.00 2.21 H new ATOM 0 HE2 HIS A 13 -0.174 -39.100 -6.799 1.00 65.14 H new ATOM 255 N PRO A 14 7.398 -40.571 -7.638 1.00 22.20 N ATOM 256 CA PRO A 14 8.789 -40.731 -8.046 1.00 21.11 C ATOM 257 C PRO A 14 8.912 -41.020 -9.546 1.00 2.15 C ATOM 258 O PRO A 14 8.359 -42.003 -10.038 1.00 53.32 O ATOM 259 CB PRO A 14 9.326 -41.894 -7.205 1.00 0.53 C ATOM 260 CG PRO A 14 8.082 -42.731 -6.913 1.00 23.12 C ATOM 261 CD PRO A 14 6.988 -41.674 -6.781 1.00 1.22 C ATOM 0 HA PRO A 14 9.360 -39.817 -7.882 1.00 21.11 H new ATOM 0 HB2 PRO A 14 10.077 -42.468 -7.748 1.00 0.53 H new ATOM 0 HB3 PRO A 14 9.796 -41.541 -6.287 1.00 0.53 H new ATOM 0 HG2 PRO A 14 7.870 -43.435 -7.718 1.00 23.12 H new ATOM 0 HG3 PRO A 14 8.193 -43.315 -5.999 1.00 23.12 H new ATOM 0 HD2 PRO A 14 6.021 -42.071 -7.090 1.00 1.22 H new ATOM 0 HD3 PRO A 14 6.882 -41.347 -5.746 1.00 1.22 H new ATOM 269 N ALA A 15 9.660 -40.167 -10.260 1.00 11.22 N ATOM 270 CA ALA A 15 9.950 -40.311 -11.680 1.00 12.22 C ATOM 271 C ALA A 15 10.947 -41.447 -11.908 1.00 45.42 C ATOM 272 O ALA A 15 12.155 -41.247 -11.789 1.00 34.15 O ATOM 273 CB ALA A 15 10.484 -38.984 -12.228 1.00 15.00 C ATOM 0 H ALA A 15 10.088 -39.338 -9.848 1.00 11.22 H new ATOM 0 HA ALA A 15 9.034 -40.564 -12.214 1.00 12.22 H new ATOM 0 HB1 ALA A 15 10.701 -39.090 -13.291 1.00 15.00 H new ATOM 0 HB2 ALA A 15 9.735 -38.205 -12.087 1.00 15.00 H new ATOM 0 HB3 ALA A 15 11.396 -38.711 -11.697 1.00 15.00 H new ATOM 279 N GLU A 16 10.426 -42.636 -12.239 1.00 72.45 N ATOM 280 CA GLU A 16 11.205 -43.855 -12.418 1.00 22.40 C ATOM 281 C GLU A 16 11.542 -44.082 -13.901 1.00 45.22 C ATOM 282 O GLU A 16 11.573 -45.222 -14.357 1.00 52.14 O ATOM 283 CB GLU A 16 10.402 -45.012 -11.803 1.00 64.45 C ATOM 284 CG GLU A 16 11.258 -46.226 -11.426 1.00 24.34 C ATOM 285 CD GLU A 16 10.407 -47.280 -10.722 1.00 53.44 C ATOM 286 OE1 GLU A 16 10.386 -47.255 -9.472 1.00 32.44 O ATOM 287 OE2 GLU A 16 9.777 -48.082 -11.446 1.00 60.12 O ATOM 0 H GLU A 16 9.427 -42.774 -12.392 1.00 72.45 H new ATOM 0 HA GLU A 16 12.167 -43.781 -11.911 1.00 22.40 H new ATOM 0 HB2 GLU A 16 9.887 -44.652 -10.913 1.00 64.45 H new ATOM 0 HB3 GLU A 16 9.634 -45.326 -12.510 1.00 64.45 H new ATOM 0 HG2 GLU A 16 11.709 -46.653 -12.322 1.00 24.34 H new ATOM 0 HG3 GLU A 16 12.075 -45.915 -10.775 1.00 24.34 H new ATOM 294 N ASN A 17 11.798 -42.995 -14.648 1.00 64.11 N ATOM 295 CA ASN A 17 12.175 -43.000 -16.059 1.00 14.03 C ATOM 296 C ASN A 17 11.284 -43.928 -16.892 1.00 2.10 C ATOM 297 O ASN A 17 11.758 -44.916 -17.450 1.00 60.15 O ATOM 298 CB ASN A 17 13.667 -43.327 -16.206 1.00 73.42 C ATOM 299 CG ASN A 17 14.543 -42.313 -15.474 1.00 44.05 C ATOM 300 OD1 ASN A 17 15.099 -42.613 -14.419 1.00 52.55 O ATOM 301 ND2 ASN A 17 14.664 -41.106 -16.031 1.00 35.23 N ATOM 0 H ASN A 17 11.744 -42.052 -14.262 1.00 64.11 H new ATOM 0 HA ASN A 17 12.012 -42.000 -16.460 1.00 14.03 H new ATOM 0 HB2 ASN A 17 13.861 -44.325 -15.814 1.00 73.42 H new ATOM 0 HB3 ASN A 17 13.934 -43.342 -17.263 1.00 73.42 H new ATOM 0 HD21 ASN A 17 15.235 -40.391 -15.580 1.00 35.23 H new ATOM 0 HD22 ASN A 17 14.186 -40.899 -16.908 1.00 35.23 H new ATOM 308 N GLY A 18 9.991 -43.592 -16.966 1.00 65.51 N ATOM 309 CA GLY A 18 8.980 -44.314 -17.725 1.00 2.54 C ATOM 310 C GLY A 18 7.811 -44.707 -16.824 1.00 11.24 C ATOM 311 O GLY A 18 7.405 -45.868 -16.813 1.00 42.12 O ATOM 0 H GLY A 18 9.613 -42.779 -16.479 1.00 65.51 H new ATOM 0 HA2 GLY A 18 8.621 -43.693 -18.546 1.00 2.54 H new ATOM 0 HA3 GLY A 18 9.420 -45.207 -18.170 1.00 2.54 H new ATOM 315 N LYS A 19 7.269 -43.736 -16.078 1.00 52.33 N ATOM 316 CA LYS A 19 6.130 -43.924 -15.191 1.00 14.30 C ATOM 317 C LYS A 19 5.539 -42.554 -14.870 1.00 52.21 C ATOM 318 O LYS A 19 6.267 -41.669 -14.428 1.00 62.15 O ATOM 319 CB LYS A 19 6.574 -44.626 -13.901 1.00 34.14 C ATOM 320 CG LYS A 19 5.366 -45.011 -13.038 1.00 53.34 C ATOM 321 CD LYS A 19 5.777 -45.797 -11.785 1.00 20.45 C ATOM 322 CE LYS A 19 6.670 -45.005 -10.822 1.00 33.41 C ATOM 323 NZ LYS A 19 6.037 -43.753 -10.376 1.00 15.21 N ATOM 0 H LYS A 19 7.623 -42.779 -16.079 1.00 52.33 H new ATOM 0 HA LYS A 19 5.379 -44.548 -15.676 1.00 14.30 H new ATOM 0 HB2 LYS A 19 7.148 -45.519 -14.148 1.00 34.14 H new ATOM 0 HB3 LYS A 19 7.235 -43.969 -13.335 1.00 34.14 H new ATOM 0 HG2 LYS A 19 4.832 -44.109 -12.740 1.00 53.34 H new ATOM 0 HG3 LYS A 19 4.674 -45.610 -13.630 1.00 53.34 H new ATOM 0 HD2 LYS A 19 4.879 -46.113 -11.255 1.00 20.45 H new ATOM 0 HD3 LYS A 19 6.302 -46.702 -12.091 1.00 20.45 H new ATOM 0 HE2 LYS A 19 6.901 -45.622 -9.954 1.00 33.41 H new ATOM 0 HE3 LYS A 19 7.616 -44.777 -11.312 1.00 33.41 H new ATOM 0 HZ1 LYS A 19 6.670 -43.260 -9.714 1.00 15.21 H new ATOM 0 HZ2 LYS A 19 5.855 -43.144 -11.199 1.00 15.21 H new ATOM 0 HZ3 LYS A 19 5.138 -43.969 -9.899 1.00 15.21 H new ATOM 337 N SER A 20 4.229 -42.385 -15.084 1.00 34.41 N ATOM 338 CA SER A 20 3.544 -41.108 -14.931 1.00 53.44 C ATOM 339 C SER A 20 3.568 -40.617 -13.483 1.00 71.31 C ATOM 340 O SER A 20 3.524 -41.419 -12.550 1.00 23.21 O ATOM 341 CB SER A 20 2.107 -41.219 -15.448 1.00 64.33 C ATOM 342 OG SER A 20 2.106 -41.639 -16.795 1.00 45.44 O ATOM 0 H SER A 20 3.612 -43.145 -15.372 1.00 34.41 H new ATOM 0 HA SER A 20 4.078 -40.367 -15.526 1.00 53.44 H new ATOM 0 HB2 SER A 20 1.547 -41.928 -14.838 1.00 64.33 H new ATOM 0 HB3 SER A 20 1.605 -40.255 -15.359 1.00 64.33 H new ATOM 0 HG SER A 20 1.182 -41.708 -17.115 1.00 45.44 H new ATOM 348 N ASN A 21 3.653 -39.292 -13.311 1.00 75.25 N ATOM 349 CA ASN A 21 3.720 -38.618 -12.021 1.00 11.31 C ATOM 350 C ASN A 21 2.986 -37.284 -12.118 1.00 3.13 C ATOM 351 O ASN A 21 2.935 -36.691 -13.193 1.00 5.40 O ATOM 352 CB ASN A 21 5.179 -38.325 -11.642 1.00 44.43 C ATOM 353 CG ASN A 21 6.138 -39.481 -11.900 1.00 63.44 C ATOM 354 OD1 ASN A 21 6.927 -39.412 -12.835 1.00 40.12 O ATOM 355 ND2 ASN A 21 6.083 -40.534 -11.084 1.00 12.43 N ATOM 0 H ASN A 21 3.677 -38.643 -14.097 1.00 75.25 H new ATOM 0 HA ASN A 21 3.267 -39.264 -11.269 1.00 11.31 H new ATOM 0 HB2 ASN A 21 5.520 -37.454 -12.202 1.00 44.43 H new ATOM 0 HB3 ASN A 21 5.222 -38.062 -10.585 1.00 44.43 H new ATOM 0 HD21 ASN A 21 6.713 -41.323 -11.226 1.00 12.43 H new ATOM 0 HD22 ASN A 21 5.410 -40.550 -10.317 1.00 12.43 H new ATOM 362 N PHE A 22 2.466 -36.785 -10.990 1.00 54.21 N ATOM 363 CA PHE A 22 1.904 -35.445 -10.911 1.00 12.13 C ATOM 364 C PHE A 22 2.996 -34.436 -10.557 1.00 42.23 C ATOM 365 O PHE A 22 3.757 -34.640 -9.612 1.00 51.13 O ATOM 366 CB PHE A 22 0.754 -35.395 -9.901 1.00 14.33 C ATOM 367 CG PHE A 22 -0.534 -35.986 -10.437 1.00 5.04 C ATOM 368 CD1 PHE A 22 -0.864 -37.331 -10.186 1.00 74.43 C ATOM 369 CD2 PHE A 22 -1.375 -35.198 -11.245 1.00 35.14 C ATOM 370 CE1 PHE A 22 -2.031 -37.883 -10.742 1.00 14.05 C ATOM 371 CE2 PHE A 22 -2.559 -35.741 -11.771 1.00 34.40 C ATOM 372 CZ PHE A 22 -2.880 -37.088 -11.532 1.00 20.21 C ATOM 0 H PHE A 22 2.426 -37.303 -10.112 1.00 54.21 H new ATOM 0 HA PHE A 22 1.496 -35.179 -11.886 1.00 12.13 H new ATOM 0 HB2 PHE A 22 1.046 -35.934 -9.000 1.00 14.33 H new ATOM 0 HB3 PHE A 22 0.578 -34.359 -9.611 1.00 14.33 H new ATOM 0 HD1 PHE A 22 -0.221 -37.939 -9.567 1.00 74.43 H new ATOM 0 HD2 PHE A 22 -1.109 -34.174 -11.461 1.00 35.14 H new ATOM 0 HE1 PHE A 22 -2.276 -38.919 -10.562 1.00 14.05 H new ATOM 0 HE2 PHE A 22 -3.222 -35.124 -12.359 1.00 34.40 H new ATOM 0 HZ PHE A 22 -3.779 -37.512 -11.955 1.00 20.21 H new ATOM 382 N LEU A 23 3.046 -33.334 -11.313 1.00 45.53 N ATOM 383 CA LEU A 23 3.845 -32.164 -10.984 1.00 23.23 C ATOM 384 C LEU A 23 3.062 -31.368 -9.945 1.00 3.11 C ATOM 385 O LEU A 23 1.835 -31.382 -9.983 1.00 14.02 O ATOM 386 CB LEU A 23 4.066 -31.341 -12.265 1.00 32.41 C ATOM 387 CG LEU A 23 5.051 -30.171 -12.125 1.00 4.11 C ATOM 388 CD1 LEU A 23 6.441 -30.652 -11.695 1.00 2.01 C ATOM 389 CD2 LEU A 23 5.174 -29.461 -13.480 1.00 41.21 C ATOM 0 H LEU A 23 2.522 -33.235 -12.183 1.00 45.53 H new ATOM 0 HA LEU A 23 4.822 -32.432 -10.583 1.00 23.23 H new ATOM 0 HB2 LEU A 23 4.426 -32.007 -13.049 1.00 32.41 H new ATOM 0 HB3 LEU A 23 3.105 -30.949 -12.597 1.00 32.41 H new ATOM 0 HG LEU A 23 4.669 -29.495 -11.360 1.00 4.11 H new ATOM 0 HD11 LEU A 23 7.111 -29.797 -11.606 1.00 2.01 H new ATOM 0 HD12 LEU A 23 6.369 -31.158 -10.732 1.00 2.01 H new ATOM 0 HD13 LEU A 23 6.833 -31.344 -12.440 1.00 2.01 H new ATOM 0 HD21 LEU A 23 5.871 -28.628 -13.392 1.00 41.21 H new ATOM 0 HD22 LEU A 23 5.541 -30.164 -14.227 1.00 41.21 H new ATOM 0 HD23 LEU A 23 4.197 -29.086 -13.784 1.00 41.21 H new ATOM 401 N ASN A 24 3.740 -30.685 -9.016 1.00 1.32 N ATOM 402 CA ASN A 24 3.077 -29.798 -8.067 1.00 15.04 C ATOM 403 C ASN A 24 3.774 -28.443 -8.104 1.00 22.43 C ATOM 404 O ASN A 24 4.641 -28.174 -7.275 1.00 21.13 O ATOM 405 CB ASN A 24 3.102 -30.397 -6.653 1.00 22.33 C ATOM 406 CG ASN A 24 2.051 -31.486 -6.420 1.00 34.14 C ATOM 407 OD1 ASN A 24 1.731 -32.267 -7.311 1.00 11.43 O ATOM 408 ND2 ASN A 24 1.501 -31.538 -5.203 1.00 21.12 N ATOM 0 H ASN A 24 4.753 -30.733 -8.905 1.00 1.32 H new ATOM 0 HA ASN A 24 2.030 -29.675 -8.344 1.00 15.04 H new ATOM 0 HB2 ASN A 24 4.091 -30.814 -6.464 1.00 22.33 H new ATOM 0 HB3 ASN A 24 2.949 -29.598 -5.928 1.00 22.33 H new ATOM 0 HD21 ASN A 24 0.793 -32.242 -4.993 1.00 21.12 H new ATOM 0 HD22 ASN A 24 1.789 -30.874 -4.484 1.00 21.12 H new ATOM 415 N CYS A 25 3.360 -27.584 -9.047 1.00 41.53 N ATOM 416 CA CYS A 25 3.789 -26.193 -9.108 1.00 13.25 C ATOM 417 C CYS A 25 2.941 -25.382 -8.133 1.00 63.35 C ATOM 418 O CYS A 25 1.983 -24.731 -8.538 1.00 20.33 O ATOM 419 CB CYS A 25 3.700 -25.659 -10.544 1.00 1.25 C ATOM 420 SG CYS A 25 4.902 -26.401 -11.678 1.00 42.41 S ATOM 0 H CYS A 25 2.713 -27.844 -9.791 1.00 41.53 H new ATOM 0 HA CYS A 25 4.835 -26.106 -8.815 1.00 13.25 H new ATOM 0 HB2 CYS A 25 2.695 -25.839 -10.927 1.00 1.25 H new ATOM 0 HB3 CYS A 25 3.847 -24.579 -10.530 1.00 1.25 H new ATOM 425 N TYR A 26 3.303 -25.449 -6.846 1.00 41.41 N ATOM 426 CA TYR A 26 2.591 -24.825 -5.743 1.00 73.32 C ATOM 427 C TYR A 26 3.045 -23.371 -5.610 1.00 41.12 C ATOM 428 O TYR A 26 4.115 -23.107 -5.066 1.00 3.20 O ATOM 429 CB TYR A 26 2.857 -25.648 -4.475 1.00 14.51 C ATOM 430 CG TYR A 26 2.089 -25.217 -3.242 1.00 53.04 C ATOM 431 CD1 TYR A 26 2.621 -24.243 -2.376 1.00 25.11 C ATOM 432 CD2 TYR A 26 0.908 -25.895 -2.884 1.00 24.12 C ATOM 433 CE1 TYR A 26 1.967 -23.936 -1.171 1.00 53.22 C ATOM 434 CE2 TYR A 26 0.253 -25.586 -1.680 1.00 33.40 C ATOM 435 CZ TYR A 26 0.779 -24.602 -0.826 1.00 1.01 C ATOM 436 OH TYR A 26 0.139 -24.302 0.342 1.00 43.03 O ATOM 0 H TYR A 26 4.132 -25.960 -6.541 1.00 41.41 H new ATOM 0 HA TYR A 26 1.515 -24.809 -5.916 1.00 73.32 H new ATOM 0 HB2 TYR A 26 2.618 -26.691 -4.684 1.00 14.51 H new ATOM 0 HB3 TYR A 26 3.923 -25.603 -4.251 1.00 14.51 H new ATOM 0 HD1 TYR A 26 3.535 -23.730 -2.639 1.00 25.11 H new ATOM 0 HD2 TYR A 26 0.504 -26.655 -3.537 1.00 24.12 H new ATOM 0 HE1 TYR A 26 2.378 -23.188 -0.510 1.00 53.22 H new ATOM 0 HE2 TYR A 26 -0.655 -26.105 -1.411 1.00 33.40 H new ATOM 0 HH TYR A 26 -0.774 -24.003 0.147 1.00 43.03 H new ATOM 446 N VAL A 27 2.252 -22.430 -6.138 1.00 54.41 N ATOM 447 CA VAL A 27 2.639 -21.029 -6.219 1.00 11.10 C ATOM 448 C VAL A 27 1.951 -20.257 -5.096 1.00 54.15 C ATOM 449 O VAL A 27 0.743 -20.036 -5.156 1.00 65.54 O ATOM 450 CB VAL A 27 2.305 -20.459 -7.606 1.00 13.00 C ATOM 451 CG1 VAL A 27 2.806 -19.014 -7.686 1.00 12.13 C ATOM 452 CG2 VAL A 27 3.001 -21.260 -8.715 1.00 13.24 C ATOM 0 H VAL A 27 1.326 -22.625 -6.519 1.00 54.41 H new ATOM 0 HA VAL A 27 3.717 -20.930 -6.090 1.00 11.10 H new ATOM 0 HB VAL A 27 1.225 -20.514 -7.745 1.00 13.00 H new ATOM 0 HG11 VAL A 27 2.573 -18.602 -8.668 1.00 12.13 H new ATOM 0 HG12 VAL A 27 2.318 -18.416 -6.916 1.00 12.13 H new ATOM 0 HG13 VAL A 27 3.885 -18.994 -7.531 1.00 12.13 H new ATOM 0 HG21 VAL A 27 2.747 -20.834 -9.686 1.00 13.24 H new ATOM 0 HG22 VAL A 27 4.081 -21.217 -8.572 1.00 13.24 H new ATOM 0 HG23 VAL A 27 2.671 -22.298 -8.676 1.00 13.24 H new ATOM 462 N SER A 28 2.719 -19.868 -4.072 1.00 74.43 N ATOM 463 CA SER A 28 2.203 -19.222 -2.873 1.00 3.43 C ATOM 464 C SER A 28 2.488 -17.716 -2.871 1.00 51.45 C ATOM 465 O SER A 28 3.604 -17.286 -3.157 1.00 3.20 O ATOM 466 CB SER A 28 2.794 -19.920 -1.642 1.00 11.50 C ATOM 467 OG SER A 28 4.201 -19.987 -1.721 1.00 64.11 O ATOM 0 H SER A 28 3.731 -19.998 -4.059 1.00 74.43 H new ATOM 0 HA SER A 28 1.118 -19.320 -2.850 1.00 3.43 H new ATOM 0 HB2 SER A 28 2.503 -19.381 -0.740 1.00 11.50 H new ATOM 0 HB3 SER A 28 2.383 -20.926 -1.559 1.00 11.50 H new ATOM 0 HG SER A 28 4.496 -20.903 -1.534 1.00 64.11 H new ATOM 473 N GLY A 29 1.470 -16.924 -2.511 1.00 11.13 N ATOM 474 CA GLY A 29 1.597 -15.508 -2.204 1.00 64.14 C ATOM 475 C GLY A 29 1.763 -14.629 -3.442 1.00 72.24 C ATOM 476 O GLY A 29 2.646 -13.776 -3.463 1.00 23.34 O ATOM 0 H GLY A 29 0.513 -17.267 -2.425 1.00 11.13 H new ATOM 0 HA2 GLY A 29 0.714 -15.183 -1.653 1.00 64.14 H new ATOM 0 HA3 GLY A 29 2.454 -15.362 -1.547 1.00 64.14 H new ATOM 480 N PHE A 30 0.905 -14.808 -4.452 1.00 54.34 N ATOM 481 CA PHE A 30 0.890 -13.987 -5.657 1.00 40.13 C ATOM 482 C PHE A 30 -0.181 -12.907 -5.536 1.00 12.55 C ATOM 483 O PHE A 30 -1.365 -13.179 -5.703 1.00 24.43 O ATOM 484 CB PHE A 30 0.695 -14.855 -6.904 1.00 63.34 C ATOM 485 CG PHE A 30 -0.484 -15.807 -6.876 1.00 24.43 C ATOM 486 CD1 PHE A 30 -1.710 -15.453 -7.473 1.00 71.32 C ATOM 487 CD2 PHE A 30 -0.369 -17.033 -6.198 1.00 13.02 C ATOM 488 CE1 PHE A 30 -2.835 -16.279 -7.313 1.00 31.44 C ATOM 489 CE2 PHE A 30 -1.495 -17.851 -6.034 1.00 74.21 C ATOM 490 CZ PHE A 30 -2.733 -17.459 -6.559 1.00 51.01 C ATOM 0 H PHE A 30 0.193 -15.539 -4.451 1.00 54.34 H new ATOM 0 HA PHE A 30 1.854 -13.490 -5.765 1.00 40.13 H new ATOM 0 HB2 PHE A 30 0.584 -14.197 -7.766 1.00 63.34 H new ATOM 0 HB3 PHE A 30 1.603 -15.438 -7.062 1.00 63.34 H new ATOM 0 HD1 PHE A 30 -1.785 -14.546 -8.054 1.00 71.32 H new ATOM 0 HD2 PHE A 30 0.587 -17.344 -5.804 1.00 13.02 H new ATOM 0 HE1 PHE A 30 -3.776 -16.007 -7.769 1.00 31.44 H new ATOM 0 HE2 PHE A 30 -1.408 -18.786 -5.501 1.00 74.21 H new ATOM 0 HZ PHE A 30 -3.610 -18.065 -6.384 1.00 51.01 H new ATOM 500 N HIS A 31 0.247 -11.685 -5.214 1.00 53.44 N ATOM 501 CA HIS A 31 -0.636 -10.534 -5.059 1.00 45.42 C ATOM 502 C HIS A 31 -0.348 -9.518 -6.165 1.00 11.44 C ATOM 503 O HIS A 31 0.781 -9.034 -6.243 1.00 21.13 O ATOM 504 CB HIS A 31 -0.458 -9.910 -3.672 1.00 2.43 C ATOM 505 CG HIS A 31 -1.172 -10.710 -2.615 1.00 33.32 C ATOM 506 ND1 HIS A 31 -2.234 -10.191 -1.892 1.00 2.40 N ATOM 507 CD2 HIS A 31 -1.095 -12.032 -2.249 1.00 42.11 C ATOM 508 CE1 HIS A 31 -2.748 -11.196 -1.166 1.00 43.01 C ATOM 509 NE2 HIS A 31 -2.107 -12.351 -1.351 1.00 23.40 N ATOM 0 H HIS A 31 1.230 -11.467 -5.052 1.00 53.44 H new ATOM 0 HA HIS A 31 -1.673 -10.857 -5.146 1.00 45.42 H new ATOM 0 HB2 HIS A 31 0.603 -9.851 -3.431 1.00 2.43 H new ATOM 0 HB3 HIS A 31 -0.840 -8.889 -3.679 1.00 2.43 H new ATOM 0 HD1 HIS A 31 -2.563 -9.226 -1.908 1.00 2.40 H new ATOM 0 HD2 HIS A 31 -0.351 -12.727 -2.609 1.00 42.11 H new ATOM 0 HE1 HIS A 31 -3.592 -11.082 -0.502 1.00 43.01 H new ATOM 517 N PRO A 32 -1.331 -9.170 -7.015 1.00 25.31 N ATOM 518 CA PRO A 32 -2.736 -9.565 -6.956 1.00 60.12 C ATOM 519 C PRO A 32 -2.967 -10.978 -7.506 1.00 40.05 C ATOM 520 O PRO A 32 -2.037 -11.648 -7.948 1.00 65.21 O ATOM 521 CB PRO A 32 -3.468 -8.516 -7.797 1.00 63.44 C ATOM 522 CG PRO A 32 -2.438 -8.181 -8.872 1.00 4.24 C ATOM 523 CD PRO A 32 -1.129 -8.206 -8.083 1.00 14.04 C ATOM 0 HA PRO A 32 -3.097 -9.602 -5.928 1.00 60.12 H new ATOM 0 HB2 PRO A 32 -4.389 -8.910 -8.226 1.00 63.44 H new ATOM 0 HB3 PRO A 32 -3.740 -7.640 -7.208 1.00 63.44 H new ATOM 0 HG2 PRO A 32 -2.440 -8.912 -9.680 1.00 4.24 H new ATOM 0 HG3 PRO A 32 -2.623 -7.206 -9.324 1.00 4.24 H new ATOM 0 HD2 PRO A 32 -0.294 -8.497 -8.720 1.00 14.04 H new ATOM 0 HD3 PRO A 32 -0.895 -7.220 -7.681 1.00 14.04 H new ATOM 531 N SER A 33 -4.230 -11.419 -7.472 1.00 52.43 N ATOM 532 CA SER A 33 -4.661 -12.768 -7.825 1.00 0.03 C ATOM 533 C SER A 33 -4.492 -13.123 -9.310 1.00 32.30 C ATOM 534 O SER A 33 -4.649 -14.290 -9.661 1.00 44.14 O ATOM 535 CB SER A 33 -6.128 -12.934 -7.406 1.00 52.01 C ATOM 536 OG SER A 33 -6.934 -11.992 -8.082 1.00 44.54 O ATOM 0 H SER A 33 -5.005 -10.821 -7.187 1.00 52.43 H new ATOM 0 HA SER A 33 -4.010 -13.460 -7.291 1.00 0.03 H new ATOM 0 HB2 SER A 33 -6.467 -13.945 -7.633 1.00 52.01 H new ATOM 0 HB3 SER A 33 -6.224 -12.800 -6.329 1.00 52.01 H new ATOM 0 HG SER A 33 -7.869 -12.106 -7.810 1.00 44.54 H new ATOM 542 N ASP A 34 -4.208 -12.142 -10.180 1.00 62.12 N ATOM 543 CA ASP A 34 -4.251 -12.302 -11.630 1.00 11.13 C ATOM 544 C ASP A 34 -2.962 -12.934 -12.171 1.00 75.53 C ATOM 545 O ASP A 34 -2.231 -12.305 -12.937 1.00 62.15 O ATOM 546 CB ASP A 34 -4.533 -10.939 -12.279 1.00 45.15 C ATOM 547 CG ASP A 34 -5.787 -10.282 -11.706 1.00 23.50 C ATOM 548 OD1 ASP A 34 -6.889 -10.657 -12.162 1.00 24.45 O ATOM 549 OD2 ASP A 34 -5.619 -9.418 -10.816 1.00 51.03 O ATOM 0 H ASP A 34 -3.939 -11.203 -9.885 1.00 62.12 H new ATOM 0 HA ASP A 34 -5.057 -12.990 -11.886 1.00 11.13 H new ATOM 0 HB2 ASP A 34 -3.677 -10.281 -12.127 1.00 45.15 H new ATOM 0 HB3 ASP A 34 -4.650 -11.067 -13.355 1.00 45.15 H new ATOM 554 N ILE A 35 -2.696 -14.188 -11.785 1.00 11.50 N ATOM 555 CA ILE A 35 -1.530 -14.952 -12.218 1.00 2.21 C ATOM 556 C ILE A 35 -1.872 -15.799 -13.446 1.00 31.43 C ATOM 557 O ILE A 35 -3.021 -16.198 -13.631 1.00 14.51 O ATOM 558 CB ILE A 35 -0.978 -15.794 -11.050 1.00 13.22 C ATOM 559 CG1 ILE A 35 0.443 -16.287 -11.373 1.00 44.42 C ATOM 560 CG2 ILE A 35 -1.914 -16.961 -10.698 1.00 3.03 C ATOM 561 CD1 ILE A 35 1.114 -16.958 -10.177 1.00 22.35 C ATOM 0 H ILE A 35 -3.302 -14.707 -11.149 1.00 11.50 H new ATOM 0 HA ILE A 35 -0.738 -14.265 -12.518 1.00 2.21 H new ATOM 0 HB ILE A 35 -0.926 -15.156 -10.168 1.00 13.22 H new ATOM 0 HG12 ILE A 35 0.400 -16.991 -12.204 1.00 44.42 H new ATOM 0 HG13 ILE A 35 1.051 -15.444 -11.701 1.00 44.42 H new ATOM 0 HG21 ILE A 35 -1.490 -17.530 -9.871 1.00 3.03 H new ATOM 0 HG22 ILE A 35 -2.889 -16.570 -10.408 1.00 3.03 H new ATOM 0 HG23 ILE A 35 -2.027 -17.611 -11.566 1.00 3.03 H new ATOM 0 HD11 ILE A 35 2.114 -17.287 -10.458 1.00 22.35 H new ATOM 0 HD12 ILE A 35 1.184 -16.247 -9.353 1.00 22.35 H new ATOM 0 HD13 ILE A 35 0.523 -17.819 -9.864 1.00 22.35 H new ATOM 573 N GLU A 36 -0.859 -16.065 -14.278 1.00 14.04 N ATOM 574 CA GLU A 36 -0.958 -16.840 -15.504 1.00 51.14 C ATOM 575 C GLU A 36 0.156 -17.889 -15.512 1.00 4.55 C ATOM 576 O GLU A 36 1.162 -17.746 -16.208 1.00 1.14 O ATOM 577 CB GLU A 36 -0.834 -15.900 -16.704 1.00 60.42 C ATOM 578 CG GLU A 36 -1.973 -14.878 -16.781 1.00 12.12 C ATOM 579 CD GLU A 36 -1.803 -13.969 -17.994 1.00 71.43 C ATOM 580 OE1 GLU A 36 -2.576 -14.151 -18.960 1.00 15.11 O ATOM 581 OE2 GLU A 36 -0.896 -13.110 -17.936 1.00 55.04 O ATOM 0 H GLU A 36 0.088 -15.729 -14.102 1.00 14.04 H new ATOM 0 HA GLU A 36 -1.921 -17.347 -15.563 1.00 51.14 H new ATOM 0 HB2 GLU A 36 0.118 -15.372 -16.649 1.00 60.42 H new ATOM 0 HB3 GLU A 36 -0.819 -16.489 -17.621 1.00 60.42 H new ATOM 0 HG2 GLU A 36 -2.930 -15.397 -16.841 1.00 12.12 H new ATOM 0 HG3 GLU A 36 -1.992 -14.278 -15.871 1.00 12.12 H new ATOM 588 N VAL A 37 -0.041 -18.958 -14.733 1.00 51.25 N ATOM 589 CA VAL A 37 0.830 -20.125 -14.732 1.00 42.12 C ATOM 590 C VAL A 37 0.489 -20.965 -15.962 1.00 23.54 C ATOM 591 O VAL A 37 -0.277 -21.926 -15.890 1.00 11.21 O ATOM 592 CB VAL A 37 0.695 -20.927 -13.430 1.00 73.42 C ATOM 593 CG1 VAL A 37 1.732 -22.059 -13.386 1.00 22.12 C ATOM 594 CG2 VAL A 37 0.882 -20.026 -12.204 1.00 51.01 C ATOM 0 H VAL A 37 -0.821 -19.032 -14.080 1.00 51.25 H new ATOM 0 HA VAL A 37 1.874 -19.814 -14.781 1.00 42.12 H new ATOM 0 HB VAL A 37 -0.309 -21.350 -13.408 1.00 73.42 H new ATOM 0 HG11 VAL A 37 1.622 -22.617 -12.456 1.00 22.12 H new ATOM 0 HG12 VAL A 37 1.576 -22.728 -14.232 1.00 22.12 H new ATOM 0 HG13 VAL A 37 2.735 -21.636 -13.439 1.00 22.12 H new ATOM 0 HG21 VAL A 37 0.781 -20.621 -11.296 1.00 51.01 H new ATOM 0 HG22 VAL A 37 1.873 -19.573 -12.233 1.00 51.01 H new ATOM 0 HG23 VAL A 37 0.125 -19.242 -12.210 1.00 51.01 H new ATOM 604 N ASP A 38 1.060 -20.566 -17.098 1.00 53.24 N ATOM 605 CA ASP A 38 0.776 -21.132 -18.406 1.00 51.11 C ATOM 606 C ASP A 38 1.775 -22.251 -18.685 1.00 5.51 C ATOM 607 O ASP A 38 2.506 -22.208 -19.674 1.00 32.13 O ATOM 608 CB ASP A 38 0.859 -20.018 -19.456 1.00 2.00 C ATOM 609 CG ASP A 38 -0.160 -18.897 -19.263 1.00 63.11 C ATOM 610 OD1 ASP A 38 0.009 -17.875 -19.961 1.00 62.34 O ATOM 611 OD2 ASP A 38 -1.091 -19.081 -18.450 1.00 65.52 O ATOM 0 H ASP A 38 1.753 -19.818 -17.129 1.00 53.24 H new ATOM 0 HA ASP A 38 -0.227 -21.557 -18.442 1.00 51.11 H new ATOM 0 HB2 ASP A 38 1.861 -19.590 -19.436 1.00 2.00 H new ATOM 0 HB3 ASP A 38 0.718 -20.455 -20.445 1.00 2.00 H new ATOM 616 N LEU A 39 1.806 -23.243 -17.786 1.00 40.42 N ATOM 617 CA LEU A 39 2.814 -24.289 -17.757 1.00 33.24 C ATOM 618 C LEU A 39 2.926 -25.065 -19.060 1.00 20.43 C ATOM 619 O LEU A 39 1.966 -25.177 -19.822 1.00 2.40 O ATOM 620 CB LEU A 39 2.627 -25.229 -16.562 1.00 42.43 C ATOM 621 CG LEU A 39 1.426 -26.178 -16.670 1.00 4.13 C ATOM 622 CD1 LEU A 39 1.526 -27.226 -15.551 1.00 0.21 C ATOM 623 CD2 LEU A 39 0.076 -25.463 -16.554 1.00 44.14 C ATOM 0 H LEU A 39 1.111 -23.335 -17.045 1.00 40.42 H new ATOM 0 HA LEU A 39 3.765 -23.771 -17.633 1.00 33.24 H new ATOM 0 HB2 LEU A 39 3.532 -25.824 -16.441 1.00 42.43 H new ATOM 0 HB3 LEU A 39 2.517 -24.628 -15.659 1.00 42.43 H new ATOM 0 HG LEU A 39 1.464 -26.634 -17.659 1.00 4.13 H new ATOM 0 HD11 LEU A 39 0.678 -27.908 -15.615 1.00 0.21 H new ATOM 0 HD12 LEU A 39 2.453 -27.788 -15.661 1.00 0.21 H new ATOM 0 HD13 LEU A 39 1.517 -26.726 -14.582 1.00 0.21 H new ATOM 0 HD21 LEU A 39 -0.730 -26.192 -16.639 1.00 44.14 H new ATOM 0 HD22 LEU A 39 0.012 -24.961 -15.588 1.00 44.14 H new ATOM 0 HD23 LEU A 39 -0.015 -24.726 -17.352 1.00 44.14 H new ATOM 635 N LEU A 40 4.138 -25.584 -19.276 1.00 42.34 N ATOM 636 CA LEU A 40 4.567 -26.277 -20.475 1.00 33.10 C ATOM 637 C LEU A 40 5.047 -27.677 -20.105 1.00 61.24 C ATOM 638 O LEU A 40 5.528 -27.897 -18.992 1.00 4.13 O ATOM 639 CB LEU A 40 5.705 -25.493 -21.150 1.00 35.41 C ATOM 640 CG LEU A 40 5.388 -24.009 -21.402 1.00 61.51 C ATOM 641 CD1 LEU A 40 6.568 -23.353 -22.127 1.00 11.53 C ATOM 642 CD2 LEU A 40 4.116 -23.847 -22.237 1.00 32.40 C ATOM 0 H LEU A 40 4.879 -25.524 -18.577 1.00 42.34 H new ATOM 0 HA LEU A 40 3.731 -26.354 -21.170 1.00 33.10 H new ATOM 0 HB2 LEU A 40 6.597 -25.561 -20.527 1.00 35.41 H new ATOM 0 HB3 LEU A 40 5.943 -25.968 -22.101 1.00 35.41 H new ATOM 0 HG LEU A 40 5.225 -23.524 -20.440 1.00 61.51 H new ATOM 0 HD11 LEU A 40 6.345 -22.301 -22.307 1.00 11.53 H new ATOM 0 HD12 LEU A 40 7.464 -23.434 -21.512 1.00 11.53 H new ATOM 0 HD13 LEU A 40 6.735 -23.856 -23.079 1.00 11.53 H new ATOM 0 HD21 LEU A 40 3.919 -22.787 -22.398 1.00 32.40 H new ATOM 0 HD22 LEU A 40 4.247 -24.342 -23.199 1.00 32.40 H new ATOM 0 HD23 LEU A 40 3.275 -24.297 -21.709 1.00 32.40 H new ATOM 654 N LYS A 41 4.940 -28.609 -21.058 1.00 13.20 N ATOM 655 CA LYS A 41 5.486 -29.948 -20.955 1.00 5.45 C ATOM 656 C LYS A 41 6.172 -30.258 -22.274 1.00 41.03 C ATOM 657 O LYS A 41 5.569 -30.104 -23.333 1.00 3.10 O ATOM 658 CB LYS A 41 4.401 -30.965 -20.583 1.00 60.24 C ATOM 659 CG LYS A 41 3.333 -31.227 -21.655 1.00 21.20 C ATOM 660 CD LYS A 41 3.613 -32.467 -22.521 1.00 22.53 C ATOM 661 CE LYS A 41 3.383 -33.798 -21.789 1.00 72.34 C ATOM 662 NZ LYS A 41 1.964 -34.023 -21.467 1.00 0.11 N ATOM 0 H LYS A 41 4.458 -28.439 -21.941 1.00 13.20 H new ATOM 0 HA LYS A 41 6.217 -30.013 -20.149 1.00 5.45 H new ATOM 0 HB2 LYS A 41 4.885 -31.911 -20.340 1.00 60.24 H new ATOM 0 HB3 LYS A 41 3.902 -30.620 -19.677 1.00 60.24 H new ATOM 0 HG2 LYS A 41 2.365 -31.346 -21.168 1.00 21.20 H new ATOM 0 HG3 LYS A 41 3.259 -30.353 -22.302 1.00 21.20 H new ATOM 0 HD2 LYS A 41 2.975 -32.434 -23.404 1.00 22.53 H new ATOM 0 HD3 LYS A 41 4.645 -32.429 -22.871 1.00 22.53 H new ATOM 0 HE2 LYS A 41 3.747 -34.618 -22.408 1.00 72.34 H new ATOM 0 HE3 LYS A 41 3.968 -33.810 -20.869 1.00 72.34 H new ATOM 0 HZ1 LYS A 41 1.835 -34.998 -21.130 1.00 0.11 H new ATOM 0 HZ2 LYS A 41 1.667 -33.358 -20.725 1.00 0.11 H new ATOM 0 HZ3 LYS A 41 1.387 -33.872 -22.319 1.00 0.11 H new ATOM 676 N ASN A 42 7.453 -30.625 -22.201 1.00 41.24 N ATOM 677 CA ASN A 42 8.321 -30.816 -23.357 1.00 0.23 C ATOM 678 C ASN A 42 8.185 -29.664 -24.365 1.00 71.34 C ATOM 679 O ASN A 42 8.158 -29.891 -25.574 1.00 22.40 O ATOM 680 CB ASN A 42 8.043 -32.189 -23.990 1.00 63.24 C ATOM 681 CG ASN A 42 8.126 -33.319 -22.964 1.00 33.13 C ATOM 682 OD1 ASN A 42 7.101 -33.840 -22.529 1.00 45.31 O ATOM 683 ND2 ASN A 42 9.344 -33.698 -22.578 1.00 1.24 N ATOM 0 H ASN A 42 7.924 -30.801 -21.313 1.00 41.24 H new ATOM 0 HA ASN A 42 9.360 -30.801 -23.027 1.00 0.23 H new ATOM 0 HB2 ASN A 42 7.053 -32.185 -24.445 1.00 63.24 H new ATOM 0 HB3 ASN A 42 8.761 -32.372 -24.790 1.00 63.24 H new ATOM 0 HD21 ASN A 42 9.452 -34.448 -21.896 1.00 1.24 H new ATOM 0 HD22 ASN A 42 10.168 -33.238 -22.965 1.00 1.24 H new ATOM 690 N GLY A 43 8.074 -28.426 -23.861 1.00 71.41 N ATOM 691 CA GLY A 43 7.971 -27.217 -24.664 1.00 60.31 C ATOM 692 C GLY A 43 6.531 -26.801 -24.998 1.00 43.05 C ATOM 693 O GLY A 43 6.278 -25.605 -25.134 1.00 21.12 O ATOM 0 H GLY A 43 8.054 -28.242 -22.858 1.00 71.41 H new ATOM 0 HA2 GLY A 43 8.459 -26.400 -24.133 1.00 60.31 H new ATOM 0 HA3 GLY A 43 8.519 -27.365 -25.594 1.00 60.31 H new ATOM 697 N GLU A 44 5.591 -27.748 -25.158 1.00 12.32 N ATOM 698 CA GLU A 44 4.241 -27.450 -25.638 1.00 64.31 C ATOM 699 C GLU A 44 3.317 -27.082 -24.478 1.00 60.15 C ATOM 700 O GLU A 44 3.476 -27.601 -23.375 1.00 33.22 O ATOM 701 CB GLU A 44 3.671 -28.616 -26.463 1.00 25.14 C ATOM 702 CG GLU A 44 3.678 -29.961 -25.727 1.00 35.23 C ATOM 703 CD GLU A 44 2.817 -30.998 -26.442 1.00 3.04 C ATOM 704 OE1 GLU A 44 3.228 -31.414 -27.548 1.00 42.03 O ATOM 705 OE2 GLU A 44 1.765 -31.357 -25.870 1.00 14.12 O ATOM 0 H GLU A 44 5.750 -28.736 -24.958 1.00 12.32 H new ATOM 0 HA GLU A 44 4.304 -26.585 -26.299 1.00 64.31 H new ATOM 0 HB2 GLU A 44 2.648 -28.377 -26.752 1.00 25.14 H new ATOM 0 HB3 GLU A 44 4.248 -28.713 -27.383 1.00 25.14 H new ATOM 0 HG2 GLU A 44 4.701 -30.328 -25.649 1.00 35.23 H new ATOM 0 HG3 GLU A 44 3.311 -29.822 -24.710 1.00 35.23 H new ATOM 712 N ARG A 45 2.348 -26.189 -24.726 1.00 22.54 N ATOM 713 CA ARG A 45 1.392 -25.772 -23.708 1.00 72.45 C ATOM 714 C ARG A 45 0.359 -26.875 -23.478 1.00 13.54 C ATOM 715 O ARG A 45 -0.089 -27.522 -24.423 1.00 65.43 O ATOM 716 CB ARG A 45 0.747 -24.427 -24.071 1.00 53.42 C ATOM 717 CG ARG A 45 0.037 -23.839 -22.843 1.00 75.42 C ATOM 718 CD ARG A 45 -0.575 -22.464 -23.121 1.00 22.15 C ATOM 719 NE ARG A 45 -1.192 -21.928 -21.900 1.00 11.40 N ATOM 720 CZ ARG A 45 -2.030 -20.879 -21.841 1.00 24.40 C ATOM 721 NH1 ARG A 45 -2.361 -20.192 -22.944 1.00 3.22 N ATOM 722 NH2 ARG A 45 -2.543 -20.512 -20.659 1.00 1.11 N ATOM 0 H ARG A 45 2.211 -25.742 -25.633 1.00 22.54 H new ATOM 0 HA ARG A 45 1.920 -25.614 -22.767 1.00 72.45 H new ATOM 0 HB2 ARG A 45 1.508 -23.734 -24.428 1.00 53.42 H new ATOM 0 HB3 ARG A 45 0.033 -24.564 -24.884 1.00 53.42 H new ATOM 0 HG2 ARG A 45 -0.747 -24.523 -22.519 1.00 75.42 H new ATOM 0 HG3 ARG A 45 0.748 -23.757 -22.021 1.00 75.42 H new ATOM 0 HD2 ARG A 45 0.195 -21.780 -23.478 1.00 22.15 H new ATOM 0 HD3 ARG A 45 -1.322 -22.543 -23.910 1.00 22.15 H new ATOM 0 HE ARG A 45 -0.965 -22.392 -21.021 1.00 11.40 H new ATOM 0 HH11 ARG A 45 -1.975 -20.463 -23.848 1.00 3.22 H new ATOM 0 HH12 ARG A 45 -2.999 -19.399 -22.879 1.00 3.22 H new ATOM 0 HH21 ARG A 45 -2.297 -21.027 -19.814 1.00 1.11 H new ATOM 0 HH22 ARG A 45 -3.180 -19.717 -20.604 1.00 1.11 H new ATOM 736 N ILE A 46 0.023 -27.102 -22.205 1.00 32.43 N ATOM 737 CA ILE A 46 -0.758 -28.243 -21.757 1.00 0.03 C ATOM 738 C ILE A 46 -2.245 -27.896 -21.833 1.00 64.32 C ATOM 739 O ILE A 46 -2.698 -26.998 -21.126 1.00 14.34 O ATOM 740 CB ILE A 46 -0.344 -28.632 -20.323 1.00 52.43 C ATOM 741 CG1 ILE A 46 1.189 -28.632 -20.180 1.00 31.42 C ATOM 742 CG2 ILE A 46 -0.940 -30.003 -19.973 1.00 15.21 C ATOM 743 CD1 ILE A 46 1.668 -29.214 -18.851 1.00 51.03 C ATOM 0 H ILE A 46 0.296 -26.479 -21.445 1.00 32.43 H new ATOM 0 HA ILE A 46 -0.570 -29.101 -22.403 1.00 0.03 H new ATOM 0 HB ILE A 46 -0.734 -27.894 -19.622 1.00 52.43 H new ATOM 0 HG12 ILE A 46 1.624 -29.205 -20.999 1.00 31.42 H new ATOM 0 HG13 ILE A 46 1.557 -27.610 -20.276 1.00 31.42 H new ATOM 0 HG21 ILE A 46 -0.648 -30.279 -18.960 1.00 15.21 H new ATOM 0 HG22 ILE A 46 -2.027 -29.954 -20.037 1.00 15.21 H new ATOM 0 HG23 ILE A 46 -0.569 -30.751 -20.674 1.00 15.21 H new ATOM 0 HD11 ILE A 46 2.757 -29.185 -18.813 1.00 51.03 H new ATOM 0 HD12 ILE A 46 1.260 -28.626 -18.028 1.00 51.03 H new ATOM 0 HD13 ILE A 46 1.329 -30.246 -18.762 1.00 51.03 H new ATOM 755 N GLU A 47 -3.005 -28.616 -22.671 1.00 24.31 N ATOM 756 CA GLU A 47 -4.442 -28.415 -22.831 1.00 63.25 C ATOM 757 C GLU A 47 -5.224 -29.307 -21.852 1.00 4.41 C ATOM 758 O GLU A 47 -6.226 -29.914 -22.222 1.00 22.50 O ATOM 759 CB GLU A 47 -4.821 -28.667 -24.300 1.00 4.24 C ATOM 760 CG GLU A 47 -6.155 -28.010 -24.682 1.00 12.02 C ATOM 761 CD GLU A 47 -6.467 -28.225 -26.161 1.00 42.15 C ATOM 762 OE1 GLU A 47 -6.064 -27.354 -26.961 1.00 43.13 O ATOM 763 OE2 GLU A 47 -7.098 -29.261 -26.465 1.00 11.14 O ATOM 0 H GLU A 47 -2.630 -29.360 -23.260 1.00 24.31 H new ATOM 0 HA GLU A 47 -4.710 -27.387 -22.587 1.00 63.25 H new ATOM 0 HB2 GLU A 47 -4.032 -28.283 -24.947 1.00 4.24 H new ATOM 0 HB3 GLU A 47 -4.884 -29.741 -24.477 1.00 4.24 H new ATOM 0 HG2 GLU A 47 -6.957 -28.427 -24.073 1.00 12.02 H new ATOM 0 HG3 GLU A 47 -6.113 -26.942 -24.467 1.00 12.02 H new ATOM 770 N LYS A 48 -4.770 -29.379 -20.594 1.00 74.34 N ATOM 771 CA LYS A 48 -5.442 -30.091 -19.514 1.00 2.10 C ATOM 772 C LYS A 48 -4.803 -29.673 -18.187 1.00 1.05 C ATOM 773 O LYS A 48 -4.181 -30.485 -17.499 1.00 74.52 O ATOM 774 CB LYS A 48 -5.379 -31.616 -19.723 1.00 1.24 C ATOM 775 CG LYS A 48 -6.356 -32.319 -18.766 1.00 33.35 C ATOM 776 CD LYS A 48 -6.148 -33.837 -18.691 1.00 20.32 C ATOM 777 CE LYS A 48 -4.767 -34.252 -18.161 1.00 2.04 C ATOM 778 NZ LYS A 48 -4.419 -33.575 -16.897 1.00 32.53 N ATOM 0 H LYS A 48 -3.903 -28.930 -20.298 1.00 74.34 H new ATOM 0 HA LYS A 48 -6.500 -29.828 -19.503 1.00 2.10 H new ATOM 0 HB2 LYS A 48 -5.629 -31.860 -20.755 1.00 1.24 H new ATOM 0 HB3 LYS A 48 -4.364 -31.974 -19.548 1.00 1.24 H new ATOM 0 HG2 LYS A 48 -6.244 -31.895 -17.768 1.00 33.35 H new ATOM 0 HG3 LYS A 48 -7.378 -32.115 -19.087 1.00 33.35 H new ATOM 0 HD2 LYS A 48 -6.917 -34.268 -18.049 1.00 20.32 H new ATOM 0 HD3 LYS A 48 -6.287 -34.262 -19.685 1.00 20.32 H new ATOM 0 HE2 LYS A 48 -4.750 -35.331 -18.008 1.00 2.04 H new ATOM 0 HE3 LYS A 48 -4.010 -34.024 -18.912 1.00 2.04 H new ATOM 0 HZ1 LYS A 48 -3.527 -33.963 -16.529 1.00 32.53 H new ATOM 0 HZ2 LYS A 48 -4.308 -32.555 -17.068 1.00 32.53 H new ATOM 0 HZ3 LYS A 48 -5.176 -33.729 -16.201 1.00 32.53 H new ATOM 792 N VAL A 49 -4.962 -28.394 -17.833 1.00 13.13 N ATOM 793 CA VAL A 49 -4.455 -27.839 -16.590 1.00 31.32 C ATOM 794 C VAL A 49 -5.477 -28.095 -15.484 1.00 40.42 C ATOM 795 O VAL A 49 -6.634 -27.693 -15.605 1.00 0.03 O ATOM 796 CB VAL A 49 -4.180 -26.338 -16.754 1.00 25.42 C ATOM 797 CG1 VAL A 49 -3.530 -25.785 -15.482 1.00 31.12 C ATOM 798 CG2 VAL A 49 -3.281 -26.070 -17.969 1.00 34.30 C ATOM 0 H VAL A 49 -5.453 -27.714 -18.413 1.00 13.13 H new ATOM 0 HA VAL A 49 -3.514 -28.320 -16.322 1.00 31.32 H new ATOM 0 HB VAL A 49 -5.131 -25.832 -16.921 1.00 25.42 H new ATOM 0 HG11 VAL A 49 -3.338 -24.719 -15.605 1.00 31.12 H new ATOM 0 HG12 VAL A 49 -4.200 -25.937 -14.636 1.00 31.12 H new ATOM 0 HG13 VAL A 49 -2.590 -26.305 -15.299 1.00 31.12 H new ATOM 0 HG21 VAL A 49 -3.103 -24.999 -18.061 1.00 34.30 H new ATOM 0 HG22 VAL A 49 -2.330 -26.586 -17.839 1.00 34.30 H new ATOM 0 HG23 VAL A 49 -3.771 -26.435 -18.872 1.00 34.30 H new ATOM 808 N GLU A 50 -5.033 -28.757 -14.411 1.00 54.41 N ATOM 809 CA GLU A 50 -5.837 -29.072 -13.239 1.00 31.44 C ATOM 810 C GLU A 50 -5.271 -28.275 -12.067 1.00 53.13 C ATOM 811 O GLU A 50 -4.054 -28.189 -11.919 1.00 13.01 O ATOM 812 CB GLU A 50 -5.787 -30.578 -12.961 1.00 0.32 C ATOM 813 CG GLU A 50 -6.261 -31.411 -14.157 1.00 35.15 C ATOM 814 CD GLU A 50 -6.219 -32.901 -13.829 1.00 3.04 C ATOM 815 OE1 GLU A 50 -7.265 -33.416 -13.379 1.00 72.31 O ATOM 816 OE2 GLU A 50 -5.139 -33.498 -14.031 1.00 1.01 O ATOM 0 H GLU A 50 -4.074 -29.096 -14.338 1.00 54.41 H new ATOM 0 HA GLU A 50 -6.882 -28.805 -13.397 1.00 31.44 H new ATOM 0 HB2 GLU A 50 -4.767 -30.863 -12.705 1.00 0.32 H new ATOM 0 HB3 GLU A 50 -6.408 -30.805 -12.095 1.00 0.32 H new ATOM 0 HG2 GLU A 50 -7.276 -31.122 -14.428 1.00 35.15 H new ATOM 0 HG3 GLU A 50 -5.630 -31.206 -15.022 1.00 35.15 H new ATOM 823 N HIS A 51 -6.144 -27.660 -11.263 1.00 43.32 N ATOM 824 CA HIS A 51 -5.746 -26.707 -10.236 1.00 43.02 C ATOM 825 C HIS A 51 -6.809 -26.624 -9.136 1.00 43.31 C ATOM 826 O HIS A 51 -7.907 -27.158 -9.291 1.00 4.02 O ATOM 827 CB HIS A 51 -5.493 -25.343 -10.891 1.00 15.14 C ATOM 828 CG HIS A 51 -6.665 -24.842 -11.694 1.00 42.14 C ATOM 829 ND1 HIS A 51 -6.780 -25.059 -13.060 1.00 32.32 N ATOM 830 CD2 HIS A 51 -7.809 -24.172 -11.336 1.00 62.45 C ATOM 831 CE1 HIS A 51 -7.947 -24.520 -13.451 1.00 32.33 C ATOM 832 NE2 HIS A 51 -8.624 -23.963 -12.444 1.00 60.33 N ATOM 0 H HIS A 51 -7.151 -27.814 -11.311 1.00 43.32 H new ATOM 0 HA HIS A 51 -4.824 -27.039 -9.760 1.00 43.02 H new ATOM 0 HB2 HIS A 51 -5.254 -24.614 -10.116 1.00 15.14 H new ATOM 0 HB3 HIS A 51 -4.621 -25.416 -11.541 1.00 15.14 H new ATOM 0 HD2 HIS A 51 -8.044 -23.851 -10.332 1.00 62.45 H new ATOM 0 HE1 HIS A 51 -8.300 -24.536 -14.472 1.00 32.33 H new ATOM 0 HE2 HIS A 51 -9.529 -23.493 -12.479 1.00 60.33 H new ATOM 840 N SER A 52 -6.465 -25.964 -8.020 1.00 24.54 N ATOM 841 CA SER A 52 -7.318 -25.818 -6.843 1.00 44.43 C ATOM 842 C SER A 52 -7.925 -24.409 -6.781 1.00 41.21 C ATOM 843 O SER A 52 -7.726 -23.598 -7.685 1.00 11.40 O ATOM 844 CB SER A 52 -6.489 -26.148 -5.594 1.00 42.13 C ATOM 845 OG SER A 52 -7.305 -26.253 -4.445 1.00 63.34 O ATOM 0 H SER A 52 -5.560 -25.506 -7.914 1.00 24.54 H new ATOM 0 HA SER A 52 -8.157 -26.512 -6.899 1.00 44.43 H new ATOM 0 HB2 SER A 52 -5.953 -27.085 -5.748 1.00 42.13 H new ATOM 0 HB3 SER A 52 -5.738 -25.373 -5.439 1.00 42.13 H new ATOM 0 HG SER A 52 -6.748 -26.465 -3.667 1.00 63.34 H new ATOM 851 N ASP A 53 -8.675 -24.123 -5.710 1.00 23.22 N ATOM 852 CA ASP A 53 -9.349 -22.848 -5.498 1.00 3.00 C ATOM 853 C ASP A 53 -8.354 -21.759 -5.090 1.00 44.42 C ATOM 854 O ASP A 53 -7.229 -22.055 -4.683 1.00 54.04 O ATOM 855 CB ASP A 53 -10.437 -23.009 -4.427 1.00 2.51 C ATOM 856 CG ASP A 53 -11.444 -24.096 -4.794 1.00 14.40 C ATOM 857 OD1 ASP A 53 -11.213 -25.252 -4.375 1.00 21.41 O ATOM 858 OD2 ASP A 53 -12.423 -23.754 -5.493 1.00 74.32 O ATOM 0 H ASP A 53 -8.830 -24.790 -4.954 1.00 23.22 H new ATOM 0 HA ASP A 53 -9.812 -22.541 -6.436 1.00 3.00 H new ATOM 0 HB2 ASP A 53 -9.972 -23.253 -3.472 1.00 2.51 H new ATOM 0 HB3 ASP A 53 -10.959 -22.061 -4.295 1.00 2.51 H new ATOM 863 N LEU A 54 -8.786 -20.493 -5.185 1.00 23.10 N ATOM 864 CA LEU A 54 -8.017 -19.337 -4.744 1.00 14.44 C ATOM 865 C LEU A 54 -8.140 -19.230 -3.222 1.00 72.44 C ATOM 866 O LEU A 54 -8.977 -18.493 -2.700 1.00 32.24 O ATOM 867 CB LEU A 54 -8.516 -18.078 -5.469 1.00 23.13 C ATOM 868 CG LEU A 54 -7.645 -16.845 -5.171 1.00 35.43 C ATOM 869 CD1 LEU A 54 -6.314 -16.896 -5.930 1.00 73.34 C ATOM 870 CD2 LEU A 54 -8.398 -15.573 -5.575 1.00 72.42 C ATOM 0 H LEU A 54 -9.695 -20.248 -5.578 1.00 23.10 H new ATOM 0 HA LEU A 54 -6.961 -19.446 -4.992 1.00 14.44 H new ATOM 0 HB2 LEU A 54 -8.526 -18.261 -6.543 1.00 23.13 H new ATOM 0 HB3 LEU A 54 -9.544 -17.874 -5.171 1.00 23.13 H new ATOM 0 HG LEU A 54 -7.433 -16.840 -4.102 1.00 35.43 H new ATOM 0 HD11 LEU A 54 -5.726 -16.009 -5.694 1.00 73.34 H new ATOM 0 HD12 LEU A 54 -5.760 -17.787 -5.634 1.00 73.34 H new ATOM 0 HD13 LEU A 54 -6.508 -16.929 -7.002 1.00 73.34 H new ATOM 0 HD21 LEU A 54 -7.779 -14.701 -5.363 1.00 72.42 H new ATOM 0 HD22 LEU A 54 -8.624 -15.607 -6.641 1.00 72.42 H new ATOM 0 HD23 LEU A 54 -9.327 -15.505 -5.009 1.00 72.42 H new ATOM 882 N SER A 55 -7.311 -20.008 -2.522 1.00 43.42 N ATOM 883 CA SER A 55 -7.418 -20.253 -1.093 1.00 13.01 C ATOM 884 C SER A 55 -6.441 -19.365 -0.325 1.00 21.41 C ATOM 885 O SER A 55 -5.294 -19.201 -0.735 1.00 35.44 O ATOM 886 CB SER A 55 -7.153 -21.735 -0.815 1.00 65.31 C ATOM 887 OG SER A 55 -8.099 -22.532 -1.496 1.00 3.51 O ATOM 0 H SER A 55 -6.526 -20.496 -2.952 1.00 43.42 H new ATOM 0 HA SER A 55 -8.424 -20.005 -0.754 1.00 13.01 H new ATOM 0 HB2 SER A 55 -6.145 -21.999 -1.136 1.00 65.31 H new ATOM 0 HB3 SER A 55 -7.207 -21.928 0.256 1.00 65.31 H new ATOM 0 HG SER A 55 -7.954 -22.459 -2.462 1.00 3.51 H new ATOM 893 N PHE A 56 -6.912 -18.799 0.792 1.00 63.41 N ATOM 894 CA PHE A 56 -6.163 -17.889 1.648 1.00 13.11 C ATOM 895 C PHE A 56 -5.480 -18.692 2.754 1.00 14.42 C ATOM 896 O PHE A 56 -6.126 -19.538 3.373 1.00 60.14 O ATOM 897 CB PHE A 56 -7.128 -16.873 2.278 1.00 3.02 C ATOM 898 CG PHE A 56 -8.095 -16.220 1.308 1.00 63.21 C ATOM 899 CD1 PHE A 56 -7.744 -15.028 0.648 1.00 51.13 C ATOM 900 CD2 PHE A 56 -9.357 -16.801 1.073 1.00 41.11 C ATOM 901 CE1 PHE A 56 -8.642 -14.433 -0.257 1.00 12.41 C ATOM 902 CE2 PHE A 56 -10.249 -16.210 0.162 1.00 13.03 C ATOM 903 CZ PHE A 56 -9.890 -15.028 -0.505 1.00 3.24 C ATOM 0 H PHE A 56 -7.858 -18.972 1.131 1.00 63.41 H new ATOM 0 HA PHE A 56 -5.413 -17.362 1.059 1.00 13.11 H new ATOM 0 HB2 PHE A 56 -7.702 -17.375 3.057 1.00 3.02 H new ATOM 0 HB3 PHE A 56 -6.543 -16.093 2.765 1.00 3.02 H new ATOM 0 HD1 PHE A 56 -6.784 -14.569 0.836 1.00 51.13 H new ATOM 0 HD2 PHE A 56 -9.640 -17.703 1.595 1.00 41.11 H new ATOM 0 HE1 PHE A 56 -8.371 -13.517 -0.762 1.00 12.41 H new ATOM 0 HE2 PHE A 56 -11.210 -16.665 -0.025 1.00 13.03 H new ATOM 0 HZ PHE A 56 -10.573 -14.576 -1.209 1.00 3.24 H new ATOM 913 N SER A 57 -4.203 -18.407 3.042 1.00 35.20 N ATOM 914 CA SER A 57 -3.492 -19.005 4.170 1.00 42.32 C ATOM 915 C SER A 57 -3.840 -18.260 5.465 1.00 33.22 C ATOM 916 O SER A 57 -2.940 -17.809 6.169 1.00 73.11 O ATOM 917 CB SER A 57 -1.981 -18.974 3.901 1.00 71.32 C ATOM 918 OG SER A 57 -1.663 -19.693 2.730 1.00 52.44 O ATOM 0 H SER A 57 -3.638 -17.755 2.497 1.00 35.20 H new ATOM 0 HA SER A 57 -3.800 -20.044 4.287 1.00 42.32 H new ATOM 0 HB2 SER A 57 -1.647 -17.941 3.800 1.00 71.32 H new ATOM 0 HB3 SER A 57 -1.448 -19.401 4.750 1.00 71.32 H new ATOM 0 HG SER A 57 -2.458 -20.170 2.413 1.00 52.44 H new ATOM 965 N SER A 61 -2.235 -14.050 1.437 1.00 74.41 N ATOM 966 CA SER A 61 -1.269 -14.897 0.751 1.00 61.11 C ATOM 967 C SER A 61 -2.037 -16.034 0.076 1.00 2.35 C ATOM 968 O SER A 61 -2.406 -17.007 0.734 1.00 13.51 O ATOM 969 CB SER A 61 -0.227 -15.447 1.735 1.00 40.42 C ATOM 970 OG SER A 61 0.613 -14.418 2.218 1.00 1.52 O ATOM 0 HA SER A 61 -0.727 -14.317 0.004 1.00 61.11 H new ATOM 0 HB2 SER A 61 -0.732 -15.930 2.571 1.00 40.42 H new ATOM 0 HB3 SER A 61 0.375 -16.210 1.242 1.00 40.42 H new ATOM 0 HG SER A 61 1.266 -14.795 2.844 1.00 1.52 H new ATOM 976 N PHE A 62 -2.290 -15.896 -1.231 1.00 33.32 N ATOM 977 CA PHE A 62 -3.096 -16.838 -1.995 1.00 41.22 C ATOM 978 C PHE A 62 -2.239 -18.038 -2.400 1.00 13.24 C ATOM 979 O PHE A 62 -1.227 -17.848 -3.071 1.00 23.12 O ATOM 980 CB PHE A 62 -3.659 -16.147 -3.247 1.00 73.34 C ATOM 981 CG PHE A 62 -4.305 -14.785 -3.048 1.00 43.54 C ATOM 982 CD1 PHE A 62 -4.157 -13.803 -4.045 1.00 43.53 C ATOM 983 CD2 PHE A 62 -5.032 -14.482 -1.879 1.00 21.34 C ATOM 984 CE1 PHE A 62 -4.687 -12.515 -3.860 1.00 40.23 C ATOM 985 CE2 PHE A 62 -5.545 -13.187 -1.687 1.00 34.43 C ATOM 986 CZ PHE A 62 -5.391 -12.209 -2.684 1.00 5.22 C ATOM 0 H PHE A 62 -1.935 -15.118 -1.787 1.00 33.32 H new ATOM 0 HA PHE A 62 -3.926 -17.184 -1.379 1.00 41.22 H new ATOM 0 HB2 PHE A 62 -2.848 -16.036 -3.967 1.00 73.34 H new ATOM 0 HB3 PHE A 62 -4.397 -16.810 -3.698 1.00 73.34 H new ATOM 0 HD1 PHE A 62 -3.632 -14.041 -4.959 1.00 43.53 H new ATOM 0 HD2 PHE A 62 -5.195 -15.244 -1.131 1.00 21.34 H new ATOM 0 HE1 PHE A 62 -4.553 -11.761 -4.621 1.00 40.23 H new ATOM 0 HE2 PHE A 62 -6.060 -12.943 -0.769 1.00 34.43 H new ATOM 0 HZ PHE A 62 -5.813 -11.224 -2.546 1.00 5.22 H new ATOM 996 N TYR A 63 -2.623 -19.257 -1.990 1.00 52.14 N ATOM 997 CA TYR A 63 -1.890 -20.477 -2.321 1.00 32.45 C ATOM 998 C TYR A 63 -2.646 -21.336 -3.338 1.00 41.25 C ATOM 999 O TYR A 63 -3.681 -21.920 -3.019 1.00 20.43 O ATOM 1000 CB TYR A 63 -1.508 -21.249 -1.051 1.00 3.13 C ATOM 1001 CG TYR A 63 -2.621 -21.976 -0.321 1.00 1.30 C ATOM 1002 CD1 TYR A 63 -3.439 -21.292 0.596 1.00 0.10 C ATOM 1003 CD2 TYR A 63 -2.824 -23.352 -0.547 1.00 13.43 C ATOM 1004 CE1 TYR A 63 -4.454 -21.981 1.282 1.00 22.40 C ATOM 1005 CE2 TYR A 63 -3.852 -24.034 0.124 1.00 25.43 C ATOM 1006 CZ TYR A 63 -4.672 -23.347 1.035 1.00 40.21 C ATOM 1007 OH TYR A 63 -5.684 -24.001 1.675 1.00 32.30 O ATOM 0 H TYR A 63 -3.453 -19.419 -1.419 1.00 52.14 H new ATOM 0 HA TYR A 63 -0.958 -20.191 -2.808 1.00 32.45 H new ATOM 0 HB2 TYR A 63 -0.744 -21.980 -1.317 1.00 3.13 H new ATOM 0 HB3 TYR A 63 -1.049 -20.548 -0.354 1.00 3.13 H new ATOM 0 HD1 TYR A 63 -3.287 -20.237 0.773 1.00 0.10 H new ATOM 0 HD2 TYR A 63 -2.187 -23.884 -1.238 1.00 13.43 H new ATOM 0 HE1 TYR A 63 -5.068 -21.459 2.001 1.00 22.40 H new ATOM 0 HE2 TYR A 63 -4.012 -25.086 -0.060 1.00 25.43 H new ATOM 0 HH TYR A 63 -5.699 -24.939 1.391 1.00 32.30 H new ATOM 1017 N LEU A 64 -2.117 -21.409 -4.565 1.00 32.54 N ATOM 1018 CA LEU A 64 -2.659 -22.224 -5.649 1.00 3.31 C ATOM 1019 C LEU A 64 -1.668 -23.356 -5.947 1.00 71.21 C ATOM 1020 O LEU A 64 -0.527 -23.312 -5.485 1.00 54.43 O ATOM 1021 CB LEU A 64 -2.878 -21.335 -6.893 1.00 20.34 C ATOM 1022 CG LEU A 64 -4.307 -21.403 -7.467 1.00 64.15 C ATOM 1023 CD1 LEU A 64 -4.486 -20.311 -8.528 1.00 41.52 C ATOM 1024 CD2 LEU A 64 -4.601 -22.760 -8.110 1.00 5.34 C ATOM 0 H LEU A 64 -1.281 -20.890 -4.834 1.00 32.54 H new ATOM 0 HA LEU A 64 -3.618 -22.657 -5.367 1.00 3.31 H new ATOM 0 HB2 LEU A 64 -2.651 -20.301 -6.633 1.00 20.34 H new ATOM 0 HB3 LEU A 64 -2.171 -21.632 -7.668 1.00 20.34 H new ATOM 0 HG LEU A 64 -5.000 -21.257 -6.638 1.00 64.15 H new ATOM 0 HD11 LEU A 64 -5.497 -20.360 -8.933 1.00 41.52 H new ATOM 0 HD12 LEU A 64 -4.324 -19.333 -8.075 1.00 41.52 H new ATOM 0 HD13 LEU A 64 -3.765 -20.463 -9.331 1.00 41.52 H new ATOM 0 HD21 LEU A 64 -5.618 -22.764 -8.501 1.00 5.34 H new ATOM 0 HD22 LEU A 64 -3.898 -22.937 -8.924 1.00 5.34 H new ATOM 0 HD23 LEU A 64 -4.496 -23.547 -7.363 1.00 5.34 H new ATOM 1036 N LEU A 65 -2.074 -24.337 -6.763 1.00 2.53 N ATOM 1037 CA LEU A 65 -1.152 -25.252 -7.420 1.00 4.30 C ATOM 1038 C LEU A 65 -1.699 -25.675 -8.784 1.00 34.13 C ATOM 1039 O LEU A 65 -2.896 -25.554 -9.032 1.00 71.43 O ATOM 1040 CB LEU A 65 -0.729 -26.411 -6.502 1.00 72.33 C ATOM 1041 CG LEU A 65 -1.636 -27.641 -6.551 1.00 65.23 C ATOM 1042 CD1 LEU A 65 -0.995 -28.781 -5.751 1.00 11.21 C ATOM 1043 CD2 LEU A 65 -3.048 -27.355 -6.027 1.00 75.41 C ATOM 0 H LEU A 65 -3.055 -24.513 -6.982 1.00 2.53 H new ATOM 0 HA LEU A 65 -0.218 -24.728 -7.624 1.00 4.30 H new ATOM 0 HB2 LEU A 65 0.283 -26.714 -6.769 1.00 72.33 H new ATOM 0 HB3 LEU A 65 -0.692 -26.046 -5.475 1.00 72.33 H new ATOM 0 HG LEU A 65 -1.741 -27.930 -7.597 1.00 65.23 H new ATOM 0 HD11 LEU A 65 -1.641 -29.658 -5.786 1.00 11.21 H new ATOM 0 HD12 LEU A 65 -0.025 -29.028 -6.183 1.00 11.21 H new ATOM 0 HD13 LEU A 65 -0.862 -28.469 -4.715 1.00 11.21 H new ATOM 0 HD21 LEU A 65 -3.648 -28.263 -6.085 1.00 75.41 H new ATOM 0 HD22 LEU A 65 -2.991 -27.023 -4.990 1.00 75.41 H new ATOM 0 HD23 LEU A 65 -3.510 -26.575 -6.633 1.00 75.41 H new ATOM 1055 N TYR A 66 -0.809 -26.134 -9.674 1.00 33.45 N ATOM 1056 CA TYR A 66 -1.126 -26.453 -11.061 1.00 52.23 C ATOM 1057 C TYR A 66 -0.517 -27.811 -11.412 1.00 4.01 C ATOM 1058 O TYR A 66 0.675 -27.899 -11.706 1.00 21.43 O ATOM 1059 CB TYR A 66 -0.594 -25.338 -11.969 1.00 52.41 C ATOM 1060 CG TYR A 66 -1.326 -24.018 -11.812 1.00 20.11 C ATOM 1061 CD1 TYR A 66 -2.446 -23.750 -12.617 1.00 12.30 C ATOM 1062 CD2 TYR A 66 -0.894 -23.057 -10.877 1.00 2.44 C ATOM 1063 CE1 TYR A 66 -3.063 -22.490 -12.576 1.00 25.11 C ATOM 1064 CE2 TYR A 66 -1.533 -21.806 -10.813 1.00 65.12 C ATOM 1065 CZ TYR A 66 -2.577 -21.502 -11.706 1.00 55.42 C ATOM 1066 OH TYR A 66 -3.113 -20.248 -11.745 1.00 15.32 O ATOM 0 H TYR A 66 0.170 -26.295 -9.439 1.00 33.45 H new ATOM 0 HA TYR A 66 -2.204 -26.518 -11.206 1.00 52.23 H new ATOM 0 HB2 TYR A 66 0.464 -25.183 -11.757 1.00 52.41 H new ATOM 0 HB3 TYR A 66 -0.667 -25.662 -13.007 1.00 52.41 H new ATOM 0 HD1 TYR A 66 -2.834 -24.517 -13.271 1.00 12.30 H new ATOM 0 HD2 TYR A 66 -0.074 -23.281 -10.211 1.00 2.44 H new ATOM 0 HE1 TYR A 66 -3.910 -22.281 -13.213 1.00 25.11 H new ATOM 0 HE2 TYR A 66 -1.222 -21.078 -10.078 1.00 65.12 H new ATOM 0 HH TYR A 66 -2.669 -19.681 -11.080 1.00 15.32 H new ATOM 1076 N TYR A 67 -1.341 -28.865 -11.338 1.00 52.01 N ATOM 1077 CA TYR A 67 -0.891 -30.249 -11.335 1.00 33.33 C ATOM 1078 C TYR A 67 -1.212 -30.973 -12.645 1.00 5.33 C ATOM 1079 O TYR A 67 -2.287 -31.548 -12.791 1.00 54.43 O ATOM 1080 CB TYR A 67 -1.435 -30.990 -10.096 1.00 44.21 C ATOM 1081 CG TYR A 67 -2.946 -31.000 -9.891 1.00 14.11 C ATOM 1082 CD1 TYR A 67 -3.585 -29.911 -9.266 1.00 23.20 C ATOM 1083 CD2 TYR A 67 -3.696 -32.155 -10.194 1.00 13.51 C ATOM 1084 CE1 TYR A 67 -4.960 -29.958 -8.984 1.00 20.15 C ATOM 1085 CE2 TYR A 67 -5.078 -32.192 -9.937 1.00 1.32 C ATOM 1086 CZ TYR A 67 -5.713 -31.090 -9.340 1.00 3.33 C ATOM 1087 OH TYR A 67 -7.057 -31.121 -9.109 1.00 3.23 O ATOM 0 H TYR A 67 -2.355 -28.770 -11.278 1.00 52.01 H new ATOM 0 HA TYR A 67 0.197 -30.246 -11.267 1.00 33.33 H new ATOM 0 HB2 TYR A 67 -1.095 -32.024 -10.146 1.00 44.21 H new ATOM 0 HB3 TYR A 67 -0.978 -30.547 -9.211 1.00 44.21 H new ATOM 0 HD1 TYR A 67 -3.013 -29.034 -9.002 1.00 23.20 H new ATOM 0 HD2 TYR A 67 -3.207 -33.016 -10.626 1.00 13.51 H new ATOM 0 HE1 TYR A 67 -5.439 -29.124 -8.493 1.00 20.15 H new ATOM 0 HE2 TYR A 67 -5.652 -33.069 -10.199 1.00 1.32 H new ATOM 0 HH TYR A 67 -7.422 -31.977 -9.417 1.00 3.23 H new ATOM 1097 N THR A 68 -0.255 -30.993 -13.583 1.00 74.15 N ATOM 1098 CA THR A 68 -0.331 -31.847 -14.765 1.00 43.41 C ATOM 1099 C THR A 68 0.196 -33.244 -14.426 1.00 11.51 C ATOM 1100 O THR A 68 1.127 -33.370 -13.630 1.00 14.02 O ATOM 1101 CB THR A 68 0.438 -31.225 -15.943 1.00 23.54 C ATOM 1102 OG1 THR A 68 0.229 -32.026 -17.088 1.00 53.53 O ATOM 1103 CG2 THR A 68 1.946 -31.094 -15.693 1.00 2.40 C ATOM 0 H THR A 68 0.587 -30.419 -13.540 1.00 74.15 H new ATOM 0 HA THR A 68 -1.373 -31.936 -15.073 1.00 43.41 H new ATOM 0 HB THR A 68 0.055 -30.213 -16.078 1.00 23.54 H new ATOM 0 HG1 THR A 68 1.065 -32.099 -17.594 1.00 53.53 H new ATOM 0 HG21 THR A 68 2.422 -30.648 -16.566 1.00 2.40 H new ATOM 0 HG22 THR A 68 2.117 -30.460 -14.823 1.00 2.40 H new ATOM 0 HG23 THR A 68 2.372 -32.081 -15.512 1.00 2.40 H new ATOM 1111 N GLU A 69 -0.377 -34.282 -15.052 1.00 13.25 N ATOM 1112 CA GLU A 69 0.136 -35.642 -14.974 1.00 73.13 C ATOM 1113 C GLU A 69 1.157 -35.835 -16.096 1.00 34.51 C ATOM 1114 O GLU A 69 0.790 -36.159 -17.225 1.00 71.23 O ATOM 1115 CB GLU A 69 -1.014 -36.654 -15.045 1.00 40.24 C ATOM 1116 CG GLU A 69 -0.487 -38.073 -14.794 1.00 35.25 C ATOM 1117 CD GLU A 69 -1.623 -39.086 -14.689 1.00 42.35 C ATOM 1118 OE1 GLU A 69 -1.831 -39.598 -13.568 1.00 41.41 O ATOM 1119 OE2 GLU A 69 -2.262 -39.333 -15.735 1.00 72.53 O ATOM 0 H GLU A 69 -1.214 -34.193 -15.628 1.00 13.25 H new ATOM 0 HA GLU A 69 0.634 -35.812 -14.019 1.00 73.13 H new ATOM 0 HB2 GLU A 69 -1.774 -36.404 -14.305 1.00 40.24 H new ATOM 0 HB3 GLU A 69 -1.493 -36.604 -16.023 1.00 40.24 H new ATOM 0 HG2 GLU A 69 0.184 -38.361 -15.604 1.00 35.25 H new ATOM 0 HG3 GLU A 69 0.099 -38.086 -13.875 1.00 35.25 H new ATOM 1126 N PHE A 70 2.434 -35.601 -15.780 1.00 72.12 N ATOM 1127 CA PHE A 70 3.532 -35.650 -16.733 1.00 2.53 C ATOM 1128 C PHE A 70 4.164 -37.042 -16.771 1.00 15.21 C ATOM 1129 O PHE A 70 4.265 -37.699 -15.736 1.00 1.33 O ATOM 1130 CB PHE A 70 4.570 -34.580 -16.381 1.00 5.40 C ATOM 1131 CG PHE A 70 5.443 -34.864 -15.172 1.00 11.14 C ATOM 1132 CD1 PHE A 70 6.710 -35.449 -15.344 1.00 21.54 C ATOM 1133 CD2 PHE A 70 4.996 -34.548 -13.877 1.00 22.43 C ATOM 1134 CE1 PHE A 70 7.536 -35.691 -14.236 1.00 71.41 C ATOM 1135 CE2 PHE A 70 5.825 -34.790 -12.766 1.00 40.35 C ATOM 1136 CZ PHE A 70 7.092 -35.366 -12.945 1.00 13.34 C ATOM 0 H PHE A 70 2.733 -35.368 -14.833 1.00 72.12 H new ATOM 0 HA PHE A 70 3.142 -35.444 -17.730 1.00 2.53 H new ATOM 0 HB2 PHE A 70 5.218 -34.435 -17.245 1.00 5.40 H new ATOM 0 HB3 PHE A 70 4.048 -33.638 -16.213 1.00 5.40 H new ATOM 0 HD1 PHE A 70 7.049 -35.714 -16.335 1.00 21.54 H new ATOM 0 HD2 PHE A 70 4.015 -34.119 -13.735 1.00 22.43 H new ATOM 0 HE1 PHE A 70 8.514 -36.128 -14.377 1.00 71.41 H new ATOM 0 HE2 PHE A 70 5.486 -34.532 -11.774 1.00 40.35 H new ATOM 0 HZ PHE A 70 7.724 -35.559 -12.091 1.00 13.34 H new ATOM 1146 N THR A 71 4.585 -37.477 -17.966 1.00 60.13 N ATOM 1147 CA THR A 71 5.167 -38.792 -18.209 1.00 43.11 C ATOM 1148 C THR A 71 6.659 -38.654 -18.552 1.00 20.12 C ATOM 1149 O THR A 71 6.992 -38.493 -19.726 1.00 52.34 O ATOM 1150 CB THR A 71 4.378 -39.472 -19.341 1.00 45.23 C ATOM 1151 OG1 THR A 71 3.002 -39.482 -19.013 1.00 43.15 O ATOM 1152 CG2 THR A 71 4.837 -40.921 -19.542 1.00 51.33 C ATOM 0 H THR A 71 4.526 -36.905 -18.808 1.00 60.13 H new ATOM 0 HA THR A 71 5.101 -39.412 -17.315 1.00 43.11 H new ATOM 0 HB THR A 71 4.554 -38.912 -20.259 1.00 45.23 H new ATOM 0 HG1 THR A 71 2.830 -40.180 -18.347 1.00 43.15 H new ATOM 0 HG21 THR A 71 4.262 -41.376 -20.348 1.00 51.33 H new ATOM 0 HG22 THR A 71 5.896 -40.935 -19.799 1.00 51.33 H new ATOM 0 HG23 THR A 71 4.680 -41.483 -18.622 1.00 51.33 H new ATOM 1160 N PRO A 72 7.571 -38.715 -17.565 1.00 14.44 N ATOM 1161 CA PRO A 72 9.003 -38.586 -17.786 1.00 43.31 C ATOM 1162 C PRO A 72 9.556 -39.887 -18.364 1.00 20.42 C ATOM 1163 O PRO A 72 9.880 -40.811 -17.622 1.00 61.13 O ATOM 1164 CB PRO A 72 9.593 -38.271 -16.411 1.00 43.03 C ATOM 1165 CG PRO A 72 8.658 -39.011 -15.457 1.00 11.10 C ATOM 1166 CD PRO A 72 7.297 -38.914 -16.152 1.00 64.31 C ATOM 0 HA PRO A 72 9.255 -37.804 -18.502 1.00 43.31 H new ATOM 0 HB2 PRO A 72 10.621 -38.623 -16.323 1.00 43.03 H new ATOM 0 HB3 PRO A 72 9.605 -37.199 -16.213 1.00 43.03 H new ATOM 0 HG2 PRO A 72 8.965 -40.047 -15.316 1.00 11.10 H new ATOM 0 HG3 PRO A 72 8.640 -38.547 -14.471 1.00 11.10 H new ATOM 0 HD2 PRO A 72 6.714 -39.822 -15.993 1.00 64.31 H new ATOM 0 HD3 PRO A 72 6.713 -38.086 -15.749 1.00 64.31 H new ATOM 1174 N THR A 73 9.668 -39.951 -19.695 1.00 2.11 N ATOM 1175 CA THR A 73 10.262 -41.074 -20.401 1.00 44.44 C ATOM 1176 C THR A 73 11.735 -41.202 -20.002 1.00 32.12 C ATOM 1177 O THR A 73 12.118 -42.198 -19.391 1.00 65.45 O ATOM 1178 CB THR A 73 10.071 -40.884 -21.914 1.00 34.12 C ATOM 1179 OG1 THR A 73 8.689 -40.805 -22.200 1.00 51.14 O ATOM 1180 CG2 THR A 73 10.667 -42.048 -22.712 1.00 62.51 C ATOM 0 H THR A 73 9.341 -39.209 -20.315 1.00 2.11 H new ATOM 0 HA THR A 73 9.770 -42.007 -20.127 1.00 44.44 H new ATOM 0 HB THR A 73 10.585 -39.968 -22.203 1.00 34.12 H new ATOM 0 HG1 THR A 73 8.561 -40.682 -23.164 1.00 51.14 H new ATOM 0 HG21 THR A 73 10.512 -41.876 -23.777 1.00 62.51 H new ATOM 0 HG22 THR A 73 11.735 -42.120 -22.508 1.00 62.51 H new ATOM 0 HG23 THR A 73 10.179 -42.978 -22.419 1.00 62.51 H new ATOM 1188 N GLU A 74 12.544 -40.185 -20.325 1.00 41.21 N ATOM 1189 CA GLU A 74 13.946 -40.105 -19.944 1.00 35.43 C ATOM 1190 C GLU A 74 14.450 -38.671 -20.115 1.00 12.55 C ATOM 1191 O GLU A 74 14.692 -37.982 -19.125 1.00 23.42 O ATOM 1192 CB GLU A 74 14.780 -41.117 -20.754 1.00 40.04 C ATOM 1193 CG GLU A 74 16.278 -41.059 -20.427 1.00 23.35 C ATOM 1194 CD GLU A 74 16.551 -41.318 -18.947 1.00 62.34 C ATOM 1195 OE1 GLU A 74 16.426 -42.494 -18.541 1.00 34.20 O ATOM 1196 OE2 GLU A 74 16.878 -40.334 -18.248 1.00 60.33 O ATOM 0 H GLU A 74 12.229 -39.382 -20.870 1.00 41.21 H new ATOM 0 HA GLU A 74 14.055 -40.369 -18.892 1.00 35.43 H new ATOM 0 HB2 GLU A 74 14.410 -42.123 -20.558 1.00 40.04 H new ATOM 0 HB3 GLU A 74 14.639 -40.927 -21.818 1.00 40.04 H new ATOM 0 HG2 GLU A 74 16.809 -41.797 -21.028 1.00 23.35 H new ATOM 0 HG3 GLU A 74 16.672 -40.081 -20.702 1.00 23.35 H new ATOM 1203 N LYS A 75 14.623 -38.233 -21.368 1.00 60.42 N ATOM 1204 CA LYS A 75 15.250 -36.965 -21.714 1.00 40.35 C ATOM 1205 C LYS A 75 14.172 -35.890 -21.879 1.00 74.32 C ATOM 1206 O LYS A 75 14.040 -35.279 -22.939 1.00 41.05 O ATOM 1207 CB LYS A 75 16.107 -37.167 -22.973 1.00 22.51 C ATOM 1208 CG LYS A 75 17.051 -35.984 -23.226 1.00 24.53 C ATOM 1209 CD LYS A 75 17.825 -36.202 -24.531 1.00 20.13 C ATOM 1210 CE LYS A 75 18.767 -35.032 -24.832 1.00 43.42 C ATOM 1211 NZ LYS A 75 18.028 -33.782 -25.091 1.00 45.42 N ATOM 0 H LYS A 75 14.322 -38.767 -22.183 1.00 60.42 H new ATOM 0 HA LYS A 75 15.913 -36.620 -20.921 1.00 40.35 H new ATOM 0 HB2 LYS A 75 16.692 -38.081 -22.870 1.00 22.51 H new ATOM 0 HB3 LYS A 75 15.456 -37.301 -23.837 1.00 22.51 H new ATOM 0 HG2 LYS A 75 16.480 -35.058 -23.283 1.00 24.53 H new ATOM 0 HG3 LYS A 75 17.747 -35.879 -22.394 1.00 24.53 H new ATOM 0 HD2 LYS A 75 18.401 -37.125 -24.463 1.00 20.13 H new ATOM 0 HD3 LYS A 75 17.122 -36.325 -25.355 1.00 20.13 H new ATOM 0 HE2 LYS A 75 19.444 -34.885 -23.990 1.00 43.42 H new ATOM 0 HE3 LYS A 75 19.383 -35.275 -25.698 1.00 43.42 H new ATOM 0 HZ1 LYS A 75 18.683 -33.060 -25.454 1.00 45.42 H new ATOM 0 HZ2 LYS A 75 17.283 -33.959 -25.795 1.00 45.42 H new ATOM 0 HZ3 LYS A 75 17.596 -33.444 -24.207 1.00 45.42 H new ATOM 1225 N ASP A 76 13.394 -35.679 -20.813 1.00 34.51 N ATOM 1226 CA ASP A 76 12.275 -34.745 -20.787 1.00 64.13 C ATOM 1227 C ASP A 76 12.664 -33.428 -20.110 1.00 42.41 C ATOM 1228 O ASP A 76 13.717 -33.331 -19.479 1.00 43.34 O ATOM 1229 CB ASP A 76 11.096 -35.399 -20.065 1.00 40.24 C ATOM 1230 CG ASP A 76 10.568 -36.611 -20.826 1.00 44.42 C ATOM 1231 OD1 ASP A 76 11.206 -37.678 -20.710 1.00 75.25 O ATOM 1232 OD2 ASP A 76 9.536 -36.450 -21.513 1.00 31.40 O ATOM 0 H ASP A 76 13.531 -36.166 -19.927 1.00 34.51 H new ATOM 0 HA ASP A 76 11.988 -34.507 -21.811 1.00 64.13 H new ATOM 0 HB2 ASP A 76 11.406 -35.704 -19.065 1.00 40.24 H new ATOM 0 HB3 ASP A 76 10.295 -34.670 -19.942 1.00 40.24 H new ATOM 1237 N GLU A 77 11.800 -32.414 -20.254 1.00 43.12 N ATOM 1238 CA GLU A 77 12.017 -31.072 -19.736 1.00 41.55 C ATOM 1239 C GLU A 77 10.674 -30.387 -19.453 1.00 45.11 C ATOM 1240 O GLU A 77 10.086 -29.752 -20.327 1.00 13.42 O ATOM 1241 CB GLU A 77 12.946 -30.259 -20.661 1.00 33.20 C ATOM 1242 CG GLU A 77 12.575 -30.193 -22.155 1.00 3.21 C ATOM 1243 CD GLU A 77 12.758 -31.523 -22.885 1.00 4.24 C ATOM 1244 OE1 GLU A 77 13.923 -31.969 -22.972 1.00 2.25 O ATOM 1245 OE2 GLU A 77 11.731 -32.071 -23.341 1.00 23.32 O ATOM 0 H GLU A 77 10.913 -32.515 -20.747 1.00 43.12 H new ATOM 0 HA GLU A 77 12.540 -31.135 -18.782 1.00 41.55 H new ATOM 0 HB2 GLU A 77 12.993 -29.239 -20.280 1.00 33.20 H new ATOM 0 HB3 GLU A 77 13.950 -30.676 -20.581 1.00 33.20 H new ATOM 0 HG2 GLU A 77 11.537 -29.875 -22.250 1.00 3.21 H new ATOM 0 HG3 GLU A 77 13.187 -29.433 -22.641 1.00 3.21 H new ATOM 1252 N TYR A 78 10.196 -30.516 -18.208 1.00 12.00 N ATOM 1253 CA TYR A 78 8.961 -29.906 -17.729 1.00 71.11 C ATOM 1254 C TYR A 78 9.262 -28.546 -17.103 1.00 11.41 C ATOM 1255 O TYR A 78 10.302 -28.378 -16.465 1.00 40.45 O ATOM 1256 CB TYR A 78 8.294 -30.847 -16.720 1.00 33.42 C ATOM 1257 CG TYR A 78 7.991 -32.204 -17.320 1.00 34.34 C ATOM 1258 CD1 TYR A 78 8.897 -33.268 -17.154 1.00 21.23 C ATOM 1259 CD2 TYR A 78 6.936 -32.327 -18.240 1.00 52.02 C ATOM 1260 CE1 TYR A 78 8.730 -34.458 -17.880 1.00 14.41 C ATOM 1261 CE2 TYR A 78 6.804 -33.498 -19.005 1.00 33.40 C ATOM 1262 CZ TYR A 78 7.685 -34.569 -18.812 1.00 63.13 C ATOM 1263 OH TYR A 78 7.503 -35.711 -19.532 1.00 51.31 O ATOM 0 H TYR A 78 10.674 -31.063 -17.492 1.00 12.00 H new ATOM 0 HA TYR A 78 8.276 -29.746 -18.562 1.00 71.11 H new ATOM 0 HB2 TYR A 78 8.946 -30.971 -15.855 1.00 33.42 H new ATOM 0 HB3 TYR A 78 7.369 -30.396 -16.360 1.00 33.42 H new ATOM 0 HD1 TYR A 78 9.723 -33.169 -16.466 1.00 21.23 H new ATOM 0 HD2 TYR A 78 6.227 -31.521 -18.359 1.00 52.02 H new ATOM 0 HE1 TYR A 78 9.404 -35.287 -17.722 1.00 14.41 H new ATOM 0 HE2 TYR A 78 6.020 -33.572 -19.744 1.00 33.40 H new ATOM 0 HH TYR A 78 8.172 -35.758 -20.246 1.00 51.31 H new ATOM 1273 N ALA A 79 8.363 -27.571 -17.301 1.00 63.41 N ATOM 1274 CA ALA A 79 8.597 -26.202 -16.869 1.00 4.14 C ATOM 1275 C ALA A 79 7.289 -25.435 -16.693 1.00 11.11 C ATOM 1276 O ALA A 79 6.542 -25.264 -17.654 1.00 53.34 O ATOM 1277 CB ALA A 79 9.487 -25.491 -17.893 1.00 60.24 C ATOM 0 H ALA A 79 7.464 -27.715 -17.761 1.00 63.41 H new ATOM 0 HA ALA A 79 9.095 -26.231 -15.900 1.00 4.14 H new ATOM 0 HB1 ALA A 79 9.664 -24.465 -17.571 1.00 60.24 H new ATOM 0 HB2 ALA A 79 10.439 -26.015 -17.973 1.00 60.24 H new ATOM 0 HB3 ALA A 79 8.992 -25.487 -18.864 1.00 60.24 H new ATOM 1283 N CYS A 80 7.045 -24.928 -15.477 1.00 33.33 N ATOM 1284 CA CYS A 80 5.949 -24.013 -15.192 1.00 23.20 C ATOM 1285 C CYS A 80 6.379 -22.586 -15.545 1.00 73.43 C ATOM 1286 O CYS A 80 7.389 -22.094 -15.047 1.00 32.13 O ATOM 1287 CB CYS A 80 5.477 -24.177 -13.741 1.00 53.02 C ATOM 1288 SG CYS A 80 4.448 -25.663 -13.522 1.00 55.41 S ATOM 0 H CYS A 80 7.614 -25.149 -14.659 1.00 33.33 H new ATOM 0 HA CYS A 80 5.083 -24.247 -15.811 1.00 23.20 H new ATOM 0 HB2 CYS A 80 6.344 -24.236 -13.082 1.00 53.02 H new ATOM 0 HB3 CYS A 80 4.909 -23.296 -13.443 1.00 53.02 H new ATOM 1293 N ARG A 81 5.616 -21.950 -16.443 1.00 73.15 N ATOM 1294 CA ARG A 81 5.878 -20.645 -17.027 1.00 21.23 C ATOM 1295 C ARG A 81 5.092 -19.631 -16.206 1.00 42.24 C ATOM 1296 O ARG A 81 3.933 -19.345 -16.505 1.00 0.32 O ATOM 1297 CB ARG A 81 5.460 -20.678 -18.506 1.00 13.21 C ATOM 1298 CG ARG A 81 5.600 -19.316 -19.195 1.00 44.03 C ATOM 1299 CD ARG A 81 5.716 -19.453 -20.717 1.00 40.12 C ATOM 1300 NE ARG A 81 4.540 -20.102 -21.316 1.00 31.41 N ATOM 1301 CZ ARG A 81 3.415 -19.482 -21.711 1.00 0.12 C ATOM 1302 NH1 ARG A 81 3.221 -18.174 -21.480 1.00 72.34 N ATOM 1303 NH2 ARG A 81 2.466 -20.185 -22.344 1.00 35.24 N ATOM 0 H ARG A 81 4.753 -22.363 -16.796 1.00 73.15 H new ATOM 0 HA ARG A 81 6.932 -20.369 -17.004 1.00 21.23 H new ATOM 0 HB2 ARG A 81 6.069 -21.411 -19.034 1.00 13.21 H new ATOM 0 HB3 ARG A 81 4.425 -21.012 -18.579 1.00 13.21 H new ATOM 0 HG2 ARG A 81 4.737 -18.696 -18.951 1.00 44.03 H new ATOM 0 HG3 ARG A 81 6.481 -18.803 -18.809 1.00 44.03 H new ATOM 0 HD2 ARG A 81 5.846 -18.465 -21.159 1.00 40.12 H new ATOM 0 HD3 ARG A 81 6.608 -20.030 -20.960 1.00 40.12 H new ATOM 0 HE ARG A 81 4.582 -21.113 -21.443 1.00 31.41 H new ATOM 0 HH11 ARG A 81 3.935 -17.630 -20.996 1.00 72.34 H new ATOM 0 HH12 ARG A 81 2.359 -17.724 -21.789 1.00 72.34 H new ATOM 0 HH21 ARG A 81 2.602 -21.180 -22.521 1.00 35.24 H new ATOM 0 HH22 ARG A 81 1.608 -19.725 -22.648 1.00 35.24 H new ATOM 1317 N VAL A 82 5.715 -19.147 -15.128 1.00 23.32 N ATOM 1318 CA VAL A 82 5.038 -18.390 -14.094 1.00 2.53 C ATOM 1319 C VAL A 82 5.074 -16.917 -14.485 1.00 4.05 C ATOM 1320 O VAL A 82 6.062 -16.227 -14.237 1.00 51.01 O ATOM 1321 CB VAL A 82 5.678 -18.683 -12.725 1.00 73.21 C ATOM 1322 CG1 VAL A 82 4.917 -17.952 -11.615 1.00 63.11 C ATOM 1323 CG2 VAL A 82 5.635 -20.185 -12.406 1.00 34.44 C ATOM 0 H VAL A 82 6.712 -19.276 -14.955 1.00 23.32 H new ATOM 0 HA VAL A 82 3.992 -18.683 -14.001 1.00 2.53 H new ATOM 0 HB VAL A 82 6.712 -18.342 -12.772 1.00 73.21 H new ATOM 0 HG11 VAL A 82 5.381 -18.168 -10.653 1.00 63.11 H new ATOM 0 HG12 VAL A 82 4.948 -16.878 -11.799 1.00 63.11 H new ATOM 0 HG13 VAL A 82 3.880 -18.289 -11.602 1.00 63.11 H new ATOM 0 HG21 VAL A 82 6.094 -20.364 -11.433 1.00 34.44 H new ATOM 0 HG22 VAL A 82 4.599 -20.523 -12.386 1.00 34.44 H new ATOM 0 HG23 VAL A 82 6.182 -20.735 -13.172 1.00 34.44 H new ATOM 1333 N ASN A 83 3.989 -16.457 -15.118 1.00 62.21 N ATOM 1334 CA ASN A 83 3.803 -15.078 -15.542 1.00 20.25 C ATOM 1335 C ASN A 83 2.841 -14.432 -14.545 1.00 14.30 C ATOM 1336 O ASN A 83 1.893 -15.079 -14.104 1.00 62.41 O ATOM 1337 CB ASN A 83 3.233 -15.030 -16.968 1.00 31.13 C ATOM 1338 CG ASN A 83 4.083 -15.744 -18.022 1.00 52.54 C ATOM 1339 OD1 ASN A 83 5.010 -16.487 -17.709 1.00 43.51 O ATOM 1340 ND2 ASN A 83 3.756 -15.522 -19.298 1.00 64.43 N ATOM 0 H ASN A 83 3.198 -17.056 -15.353 1.00 62.21 H new ATOM 0 HA ASN A 83 4.751 -14.541 -15.559 1.00 20.25 H new ATOM 0 HB2 ASN A 83 2.238 -15.474 -16.962 1.00 31.13 H new ATOM 0 HB3 ASN A 83 3.115 -13.987 -17.262 1.00 31.13 H new ATOM 0 HD21 ASN A 83 4.282 -15.975 -20.045 1.00 64.43 H new ATOM 0 HD22 ASN A 83 2.981 -14.899 -19.525 1.00 64.43 H new ATOM 1347 N HIS A 84 3.101 -13.178 -14.159 1.00 0.00 N ATOM 1348 CA HIS A 84 2.352 -12.489 -13.116 1.00 0.00 C ATOM 1349 C HIS A 84 2.406 -10.980 -13.359 1.00 0.00 C ATOM 1350 O HIS A 84 3.249 -10.501 -14.116 1.00 0.00 O ATOM 1351 CB HIS A 84 2.942 -12.858 -11.747 1.00 0.00 C ATOM 1352 CG HIS A 84 2.175 -12.319 -10.565 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.806 -11.568 -9.577 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.848 -12.436 -10.244 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.848 -11.275 -8.696 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.651 -11.761 -9.058 1.00 0.00 N ATOM 0 H HIS A 84 3.845 -12.613 -14.569 1.00 0.00 H new ATOM 0 HA HIS A 84 1.306 -12.796 -13.135 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.989 -13.944 -11.668 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.967 -12.490 -11.697 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.096 -12.960 -10.815 1.00 0.00 H new ATOM 0 HE1 HIS A 84 2.017 -10.709 -7.792 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.230 -11.653 -8.556 1.00 0.00 H new ATOM 1364 N VAL A 85 1.506 -10.234 -12.705 1.00 0.03 N ATOM 1365 CA VAL A 85 1.421 -8.783 -12.801 1.00 24.32 C ATOM 1366 C VAL A 85 2.739 -8.116 -12.382 1.00 5.35 C ATOM 1367 O VAL A 85 3.112 -7.101 -12.969 1.00 25.34 O ATOM 1368 CB VAL A 85 0.213 -8.271 -11.993 1.00 63.54 C ATOM 1369 CG1 VAL A 85 0.098 -6.741 -12.041 1.00 4.43 C ATOM 1370 CG2 VAL A 85 -1.097 -8.872 -12.522 1.00 13.25 C ATOM 0 H VAL A 85 0.805 -10.637 -12.083 1.00 0.03 H new ATOM 0 HA VAL A 85 1.261 -8.506 -13.843 1.00 24.32 H new ATOM 0 HB VAL A 85 0.378 -8.584 -10.962 1.00 63.54 H new ATOM 0 HG11 VAL A 85 -0.767 -6.423 -11.459 1.00 4.43 H new ATOM 0 HG12 VAL A 85 1.001 -6.295 -11.624 1.00 4.43 H new ATOM 0 HG13 VAL A 85 -0.022 -6.417 -13.075 1.00 4.43 H new ATOM 0 HG21 VAL A 85 -1.934 -8.494 -11.934 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -1.231 -8.591 -13.567 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -1.058 -9.958 -12.441 1.00 13.25 H new ATOM 1380 N THR A 86 3.459 -8.681 -11.401 1.00 1.04 N ATOM 1381 CA THR A 86 4.742 -8.148 -10.954 1.00 4.32 C ATOM 1382 C THR A 86 5.839 -8.421 -11.986 1.00 1.02 C ATOM 1383 O THR A 86 6.641 -7.536 -12.278 1.00 20.52 O ATOM 1384 CB THR A 86 5.132 -8.725 -9.583 1.00 24.41 C ATOM 1385 OG1 THR A 86 5.264 -10.130 -9.633 1.00 3.00 O ATOM 1386 CG2 THR A 86 4.123 -8.336 -8.499 1.00 20.13 C ATOM 0 H THR A 86 3.163 -9.519 -10.900 1.00 1.04 H new ATOM 0 HA THR A 86 4.635 -7.068 -10.849 1.00 4.32 H new ATOM 0 HB THR A 86 6.099 -8.293 -9.324 1.00 24.41 H new ATOM 0 HG1 THR A 86 4.376 -10.543 -9.608 1.00 3.00 H new ATOM 0 HG21 THR A 86 4.432 -8.762 -7.544 1.00 20.13 H new ATOM 0 HG22 THR A 86 4.080 -7.250 -8.415 1.00 20.13 H new ATOM 0 HG23 THR A 86 3.138 -8.719 -8.765 1.00 20.13 H new ATOM 1394 N LEU A 87 5.893 -9.652 -12.510 1.00 5.21 N ATOM 1395 CA LEU A 87 6.972 -10.113 -13.369 1.00 43.24 C ATOM 1396 C LEU A 87 6.805 -9.559 -14.783 1.00 72.52 C ATOM 1397 O LEU A 87 5.749 -9.711 -15.393 1.00 33.53 O ATOM 1398 CB LEU A 87 7.001 -11.646 -13.408 1.00 1.33 C ATOM 1399 CG LEU A 87 7.100 -12.311 -12.024 1.00 0.34 C ATOM 1400 CD1 LEU A 87 6.896 -13.820 -12.180 1.00 32.43 C ATOM 1401 CD2 LEU A 87 8.457 -12.038 -11.362 1.00 42.35 C ATOM 0 H LEU A 87 5.176 -10.358 -12.343 1.00 5.21 H new ATOM 0 HA LEU A 87 7.915 -9.750 -12.961 1.00 43.24 H new ATOM 0 HB2 LEU A 87 6.099 -12.003 -13.906 1.00 1.33 H new ATOM 0 HB3 LEU A 87 7.848 -11.967 -14.014 1.00 1.33 H new ATOM 0 HG LEU A 87 6.327 -11.888 -11.382 1.00 0.34 H new ATOM 0 HD11 LEU A 87 6.965 -14.299 -11.203 1.00 32.43 H new ATOM 0 HD12 LEU A 87 5.913 -14.012 -12.610 1.00 32.43 H new ATOM 0 HD13 LEU A 87 7.665 -14.225 -12.838 1.00 32.43 H new ATOM 0 HD21 LEU A 87 8.490 -12.523 -10.387 1.00 42.35 H new ATOM 0 HD22 LEU A 87 9.255 -12.433 -11.991 1.00 42.35 H new ATOM 0 HD23 LEU A 87 8.591 -10.964 -11.237 1.00 42.35 H new ATOM 1413 N SER A 88 7.868 -8.940 -15.309 1.00 40.15 N ATOM 1414 CA SER A 88 7.929 -8.473 -16.685 1.00 60.41 C ATOM 1415 C SER A 88 8.134 -9.663 -17.627 1.00 4.14 C ATOM 1416 O SER A 88 7.431 -9.788 -18.628 1.00 4.44 O ATOM 1417 CB SER A 88 9.061 -7.447 -16.820 1.00 43.42 C ATOM 1418 OG SER A 88 9.143 -6.977 -18.148 1.00 33.43 O ATOM 0 H SER A 88 8.718 -8.750 -14.778 1.00 40.15 H new ATOM 0 HA SER A 88 6.992 -7.988 -16.959 1.00 60.41 H new ATOM 0 HB2 SER A 88 8.886 -6.612 -16.142 1.00 43.42 H new ATOM 0 HB3 SER A 88 10.008 -7.901 -16.529 1.00 43.42 H new ATOM 0 HG SER A 88 9.868 -6.322 -18.219 1.00 33.43 H new ATOM 1424 N GLN A 89 9.103 -10.528 -17.298 1.00 13.35 N ATOM 1425 CA GLN A 89 9.486 -11.679 -18.107 1.00 33.33 C ATOM 1426 C GLN A 89 8.687 -12.918 -17.688 1.00 65.25 C ATOM 1427 O GLN A 89 8.315 -13.033 -16.519 1.00 61.13 O ATOM 1428 CB GLN A 89 10.999 -11.926 -17.982 1.00 14.13 C ATOM 1429 CG GLN A 89 11.464 -12.246 -16.553 1.00 3.24 C ATOM 1430 CD GLN A 89 12.967 -12.512 -16.505 1.00 21.12 C ATOM 1431 OE1 GLN A 89 13.393 -13.652 -16.334 1.00 44.05 O ATOM 1432 NE2 GLN A 89 13.773 -11.457 -16.650 1.00 34.43 N ATOM 0 H GLN A 89 9.651 -10.440 -16.442 1.00 13.35 H new ATOM 0 HA GLN A 89 9.256 -11.473 -19.152 1.00 33.33 H new ATOM 0 HB2 GLN A 89 11.277 -12.752 -18.637 1.00 14.13 H new ATOM 0 HB3 GLN A 89 11.531 -11.044 -18.337 1.00 14.13 H new ATOM 0 HG2 GLN A 89 11.219 -11.414 -15.893 1.00 3.24 H new ATOM 0 HG3 GLN A 89 10.926 -13.118 -16.180 1.00 3.24 H new ATOM 0 HE21 GLN A 89 13.376 -10.528 -16.790 1.00 34.43 H new ATOM 0 HE22 GLN A 89 14.785 -11.581 -16.621 1.00 34.43 H new ATOM 1441 N PRO A 90 8.444 -13.868 -18.608 1.00 51.13 N ATOM 1442 CA PRO A 90 7.871 -15.158 -18.269 1.00 43.41 C ATOM 1443 C PRO A 90 8.927 -15.991 -17.541 1.00 13.33 C ATOM 1444 O PRO A 90 9.990 -16.256 -18.100 1.00 43.05 O ATOM 1445 CB PRO A 90 7.470 -15.779 -19.609 1.00 33.10 C ATOM 1446 CG PRO A 90 8.468 -15.180 -20.599 1.00 54.35 C ATOM 1447 CD PRO A 90 8.711 -13.780 -20.036 1.00 74.23 C ATOM 0 HA PRO A 90 7.009 -15.093 -17.606 1.00 43.41 H new ATOM 0 HB2 PRO A 90 7.536 -16.867 -19.582 1.00 33.10 H new ATOM 0 HB3 PRO A 90 6.443 -15.529 -19.875 1.00 33.10 H new ATOM 0 HG2 PRO A 90 9.389 -15.762 -20.646 1.00 54.35 H new ATOM 0 HG3 PRO A 90 8.062 -15.144 -21.610 1.00 54.35 H new ATOM 0 HD2 PRO A 90 9.735 -13.457 -20.222 1.00 74.23 H new ATOM 0 HD3 PRO A 90 8.056 -13.050 -20.511 1.00 74.23 H new ATOM 1455 N LYS A 91 8.655 -16.373 -16.286 1.00 52.11 N ATOM 1456 CA LYS A 91 9.643 -17.033 -15.447 1.00 44.41 C ATOM 1457 C LYS A 91 9.532 -18.540 -15.673 1.00 51.25 C ATOM 1458 O LYS A 91 8.701 -19.207 -15.058 1.00 62.15 O ATOM 1459 CB LYS A 91 9.455 -16.608 -13.982 1.00 60.34 C ATOM 1460 CG LYS A 91 10.719 -16.783 -13.125 1.00 51.02 C ATOM 1461 CD LYS A 91 11.143 -18.245 -12.942 1.00 64.43 C ATOM 1462 CE LYS A 91 12.344 -18.347 -11.999 1.00 32.33 C ATOM 1463 NZ LYS A 91 12.763 -19.746 -11.816 1.00 21.32 N ATOM 0 H LYS A 91 7.751 -16.232 -15.835 1.00 52.11 H new ATOM 0 HA LYS A 91 10.658 -16.736 -15.712 1.00 44.41 H new ATOM 0 HB2 LYS A 91 9.147 -15.563 -13.952 1.00 60.34 H new ATOM 0 HB3 LYS A 91 8.645 -17.191 -13.544 1.00 60.34 H new ATOM 0 HG2 LYS A 91 11.539 -16.231 -13.586 1.00 51.02 H new ATOM 0 HG3 LYS A 91 10.547 -16.339 -12.145 1.00 51.02 H new ATOM 0 HD2 LYS A 91 10.310 -18.823 -12.542 1.00 64.43 H new ATOM 0 HD3 LYS A 91 11.396 -18.679 -13.909 1.00 64.43 H new ATOM 0 HE2 LYS A 91 13.174 -17.766 -12.400 1.00 32.33 H new ATOM 0 HE3 LYS A 91 12.088 -17.912 -11.033 1.00 32.33 H new ATOM 0 HZ1 LYS A 91 13.579 -19.783 -11.172 1.00 21.32 H new ATOM 0 HZ2 LYS A 91 11.977 -20.294 -11.411 1.00 21.32 H new ATOM 0 HZ3 LYS A 91 13.030 -20.152 -12.736 1.00 21.32 H new ATOM 1477 N ILE A 92 10.387 -19.061 -16.561 1.00 23.33 N ATOM 1478 CA ILE A 92 10.492 -20.480 -16.855 1.00 33.52 C ATOM 1479 C ILE A 92 11.142 -21.167 -15.653 1.00 22.21 C ATOM 1480 O ILE A 92 12.358 -21.093 -15.475 1.00 14.32 O ATOM 1481 CB ILE A 92 11.312 -20.697 -18.143 1.00 45.14 C ATOM 1482 CG1 ILE A 92 10.812 -19.870 -19.345 1.00 20.41 C ATOM 1483 CG2 ILE A 92 11.358 -22.188 -18.504 1.00 51.32 C ATOM 1484 CD1 ILE A 92 9.349 -20.119 -19.726 1.00 74.13 C ATOM 0 H ILE A 92 11.035 -18.489 -17.102 1.00 23.33 H new ATOM 0 HA ILE A 92 9.506 -20.911 -17.026 1.00 33.52 H new ATOM 0 HB ILE A 92 12.318 -20.338 -17.925 1.00 45.14 H new ATOM 0 HG12 ILE A 92 10.940 -18.811 -19.119 1.00 20.41 H new ATOM 0 HG13 ILE A 92 11.441 -20.090 -20.208 1.00 20.41 H new ATOM 0 HG21 ILE A 92 11.940 -22.324 -19.415 1.00 51.32 H new ATOM 0 HG22 ILE A 92 11.822 -22.745 -17.690 1.00 51.32 H new ATOM 0 HG23 ILE A 92 10.344 -22.555 -18.663 1.00 51.32 H new ATOM 0 HD11 ILE A 92 9.084 -19.496 -20.580 1.00 74.13 H new ATOM 0 HD12 ILE A 92 9.215 -21.169 -19.987 1.00 74.13 H new ATOM 0 HD13 ILE A 92 8.706 -19.870 -18.882 1.00 74.13 H new ATOM 1496 N VAL A 93 10.330 -21.834 -14.825 1.00 71.44 N ATOM 1497 CA VAL A 93 10.823 -22.625 -13.711 1.00 42.11 C ATOM 1498 C VAL A 93 11.322 -23.958 -14.256 1.00 61.31 C ATOM 1499 O VAL A 93 10.769 -24.478 -15.221 1.00 31.50 O ATOM 1500 CB VAL A 93 9.729 -22.855 -12.655 1.00 4.54 C ATOM 1501 CG1 VAL A 93 10.341 -23.594 -11.457 1.00 11.04 C ATOM 1502 CG2 VAL A 93 9.116 -21.540 -12.164 1.00 54.14 C ATOM 0 H VAL A 93 9.314 -21.835 -14.915 1.00 71.44 H new ATOM 0 HA VAL A 93 11.634 -22.087 -13.220 1.00 42.11 H new ATOM 0 HB VAL A 93 8.936 -23.443 -13.118 1.00 4.54 H new ATOM 0 HG11 VAL A 93 9.573 -23.762 -10.702 1.00 11.04 H new ATOM 0 HG12 VAL A 93 10.742 -24.553 -11.787 1.00 11.04 H new ATOM 0 HG13 VAL A 93 11.144 -22.993 -11.030 1.00 11.04 H new ATOM 0 HG21 VAL A 93 8.348 -21.752 -11.420 1.00 54.14 H new ATOM 0 HG22 VAL A 93 9.894 -20.921 -11.717 1.00 54.14 H new ATOM 0 HG23 VAL A 93 8.669 -21.010 -13.005 1.00 54.14 H new ATOM 1512 N LYS A 94 12.362 -24.505 -13.624 1.00 21.31 N ATOM 1513 CA LYS A 94 12.902 -25.814 -13.935 1.00 12.34 C ATOM 1514 C LYS A 94 12.528 -26.766 -12.803 1.00 60.43 C ATOM 1515 O LYS A 94 13.102 -26.684 -11.718 1.00 60.11 O ATOM 1516 CB LYS A 94 14.420 -25.710 -14.103 1.00 73.33 C ATOM 1517 CG LYS A 94 14.769 -24.865 -15.338 1.00 31.13 C ATOM 1518 CD LYS A 94 16.282 -24.645 -15.485 1.00 12.34 C ATOM 1519 CE LYS A 94 17.111 -25.936 -15.479 1.00 24.10 C ATOM 1520 NZ LYS A 94 16.667 -26.891 -16.509 1.00 21.30 N ATOM 0 H LYS A 94 12.857 -24.034 -12.867 1.00 21.31 H new ATOM 0 HA LYS A 94 12.490 -26.196 -14.869 1.00 12.34 H new ATOM 0 HB2 LYS A 94 14.860 -25.262 -13.212 1.00 73.33 H new ATOM 0 HB3 LYS A 94 14.850 -26.707 -14.204 1.00 73.33 H new ATOM 0 HG2 LYS A 94 14.387 -25.358 -16.232 1.00 31.13 H new ATOM 0 HG3 LYS A 94 14.269 -23.899 -15.268 1.00 31.13 H new ATOM 0 HD2 LYS A 94 16.471 -24.110 -16.416 1.00 12.34 H new ATOM 0 HD3 LYS A 94 16.625 -24.003 -14.673 1.00 12.34 H new ATOM 0 HE2 LYS A 94 18.161 -25.692 -15.642 1.00 24.10 H new ATOM 0 HE3 LYS A 94 17.041 -26.405 -14.498 1.00 24.10 H new ATOM 0 HZ1 LYS A 94 17.298 -27.717 -16.511 1.00 21.30 H new ATOM 0 HZ2 LYS A 94 15.695 -27.198 -16.302 1.00 21.30 H new ATOM 0 HZ3 LYS A 94 16.693 -26.432 -17.442 1.00 21.30 H new ATOM 1534 N TRP A 95 11.574 -27.668 -13.062 1.00 0.15 N ATOM 1535 CA TRP A 95 11.242 -28.754 -12.155 1.00 15.42 C ATOM 1536 C TRP A 95 12.484 -29.617 -11.939 1.00 14.03 C ATOM 1537 O TRP A 95 13.000 -30.204 -12.891 1.00 4.30 O ATOM 1538 CB TRP A 95 10.131 -29.627 -12.750 1.00 4.53 C ATOM 1539 CG TRP A 95 9.938 -30.949 -12.064 1.00 60.12 C ATOM 1540 CD1 TRP A 95 9.593 -31.146 -10.771 1.00 51.21 C ATOM 1541 CD2 TRP A 95 10.220 -32.272 -12.599 1.00 32.15 C ATOM 1542 NE1 TRP A 95 9.602 -32.494 -10.482 1.00 52.12 N ATOM 1543 CE2 TRP A 95 10.004 -33.237 -11.574 1.00 63.41 C ATOM 1544 CE3 TRP A 95 10.670 -32.745 -13.846 1.00 55.54 C ATOM 1545 CZ2 TRP A 95 10.224 -34.609 -11.786 1.00 42.31 C ATOM 1546 CZ3 TRP A 95 10.924 -34.113 -14.060 1.00 12.11 C ATOM 1547 CH2 TRP A 95 10.709 -35.043 -13.029 1.00 3.30 C ATOM 0 H TRP A 95 11.012 -27.658 -13.913 1.00 0.15 H new ATOM 0 HA TRP A 95 10.898 -28.334 -11.210 1.00 15.42 H new ATOM 0 HB2 TRP A 95 9.193 -29.073 -12.713 1.00 4.53 H new ATOM 0 HB3 TRP A 95 10.353 -29.808 -13.802 1.00 4.53 H new ATOM 0 HD1 TRP A 95 9.347 -30.363 -10.069 1.00 51.21 H new ATOM 0 HE1 TRP A 95 9.345 -32.891 -9.578 1.00 52.12 H new ATOM 0 HE3 TRP A 95 10.823 -32.045 -14.654 1.00 55.54 H new ATOM 0 HZ2 TRP A 95 10.022 -35.322 -11.000 1.00 42.31 H new ATOM 0 HZ3 TRP A 95 11.286 -34.449 -15.021 1.00 12.11 H new ATOM 0 HH2 TRP A 95 10.917 -36.090 -13.193 1.00 3.30 H new ATOM 1558 N ASP A 96 12.931 -29.710 -10.685 1.00 34.35 N ATOM 1559 CA ASP A 96 13.970 -30.638 -10.271 1.00 3.14 C ATOM 1560 C ASP A 96 13.299 -31.910 -9.753 1.00 53.43 C ATOM 1561 O ASP A 96 12.382 -31.839 -8.935 1.00 23.32 O ATOM 1562 CB ASP A 96 14.848 -29.980 -9.203 1.00 60.13 C ATOM 1563 CG ASP A 96 16.000 -30.877 -8.754 1.00 71.23 C ATOM 1564 OD1 ASP A 96 16.333 -30.812 -7.552 1.00 52.45 O ATOM 1565 OD2 ASP A 96 16.543 -31.599 -9.619 1.00 54.24 O ATOM 0 H ASP A 96 12.573 -29.133 -9.924 1.00 34.35 H new ATOM 0 HA ASP A 96 14.617 -30.901 -11.108 1.00 3.14 H new ATOM 0 HB2 ASP A 96 15.251 -29.046 -9.595 1.00 60.13 H new ATOM 0 HB3 ASP A 96 14.234 -29.725 -8.340 1.00 60.13 H new ATOM 1570 N ARG A 97 13.750 -33.071 -10.244 1.00 32.40 N ATOM 1571 CA ARG A 97 13.204 -34.367 -9.865 1.00 74.24 C ATOM 1572 C ARG A 97 13.454 -34.707 -8.393 1.00 15.41 C ATOM 1573 O ARG A 97 12.663 -35.438 -7.798 1.00 74.11 O ATOM 1574 CB ARG A 97 13.678 -35.472 -10.826 1.00 62.13 C ATOM 1575 CG ARG A 97 15.094 -36.015 -10.581 1.00 21.11 C ATOM 1576 CD ARG A 97 16.189 -34.963 -10.770 1.00 31.14 C ATOM 1577 NE ARG A 97 17.523 -35.549 -10.610 1.00 43.31 N ATOM 1578 CZ ARG A 97 18.650 -34.843 -10.414 1.00 0.22 C ATOM 1579 NH1 ARG A 97 18.626 -33.504 -10.330 1.00 75.25 N ATOM 1580 NH2 ARG A 97 19.819 -35.487 -10.297 1.00 35.32 N ATOM 0 H ARG A 97 14.511 -33.131 -10.921 1.00 32.40 H new ATOM 0 HA ARG A 97 12.120 -34.303 -9.963 1.00 74.24 H new ATOM 0 HB2 ARG A 97 12.976 -36.304 -10.766 1.00 62.13 H new ATOM 0 HB3 ARG A 97 13.629 -35.086 -11.844 1.00 62.13 H new ATOM 0 HG2 ARG A 97 15.153 -36.412 -9.568 1.00 21.11 H new ATOM 0 HG3 ARG A 97 15.279 -36.847 -11.260 1.00 21.11 H new ATOM 0 HD2 ARG A 97 16.101 -34.518 -11.761 1.00 31.14 H new ATOM 0 HD3 ARG A 97 16.053 -34.159 -10.046 1.00 31.14 H new ATOM 0 HE ARG A 97 17.602 -36.565 -10.650 1.00 43.31 H new ATOM 0 HH11 ARG A 97 17.741 -33.003 -10.415 1.00 75.25 H new ATOM 0 HH12 ARG A 97 19.492 -32.987 -10.181 1.00 75.25 H new ATOM 0 HH21 ARG A 97 19.849 -36.505 -10.357 1.00 35.32 H new ATOM 0 HH22 ARG A 97 20.679 -34.959 -10.148 1.00 35.32 H new