USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 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 14 LYS NZ :NH3+ -137:sc= 1.34 (180deg=0.0314) USER MOD Set 1.2: A 82 THR OG1 : rot -105:sc= 1.28 USER MOD Set 2.1: A 54 HIS :FLIP+bothHN:sc= -5.91! C(o=-5.8!,f=-4.6!) USER MOD Set 2.2: A 92 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.11) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.182 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0831 K(o=-0.083,f=-0.61) USER MOD Single : A 17 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.45) USER MOD Single : A 18 SER OG : rot 58:sc= 0.289 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.946 X(o=-0.95,f=-0.57) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00394 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 33 HIS : no HE2:sc= -0.667 K(o=-0.67,f=-3.9!) USER MOD Single : A 37 TYR OH : rot -130:sc= 0.591 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 60:sc= 1.21 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.26) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 72 HIS :FLIP no HD1:sc= -1.4 F(o=-4.1!,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0375) USER MOD Single : A 74 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.57) USER MOD Single : A 78 THR OG1 : rot 71:sc= 1.27 USER MOD Single : A 81 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.7!) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 87 HIS : no HD1:sc= 0.803 K(o=0.8,f=-4.6!) USER MOD Single : A 94 GLN : amide:sc= -1.53! C(o=-1.5!,f=-3.4!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 33B O62 : rot 180:sc= 0 USER MOD Single : A 101 33B O72 : rot 180:sc= 0.0459 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.145 -5.141 -15.159 1.00 12.32 N ATOM 2 CA GLY A 1 -13.456 -4.540 -14.018 1.00 41.35 C ATOM 3 C GLY A 1 -12.178 -5.257 -13.824 1.00 22.03 C ATOM 4 O GLY A 1 -11.924 -6.284 -14.459 1.00 30.24 O ATOM 0 H1 GLY A 1 -14.217 -4.444 -15.927 1.00 12.32 H new ATOM 0 H2 GLY A 1 -13.610 -5.968 -15.491 1.00 12.32 H new ATOM 0 H3 GLY A 1 -15.099 -5.439 -14.871 1.00 12.32 H new ATOM 0 HA2 GLY A 1 -13.274 -3.480 -14.198 1.00 41.35 H new ATOM 0 HA3 GLY A 1 -14.072 -4.610 -13.121 1.00 41.35 H new ATOM 10 N PRO A 2 -11.337 -4.720 -12.937 1.00 12.33 N ATOM 11 CA PRO A 2 -10.012 -5.258 -12.689 1.00 21.22 C ATOM 12 C PRO A 2 -10.160 -6.632 -12.088 1.00 45.20 C ATOM 13 O PRO A 2 -11.180 -6.904 -11.433 1.00 73.43 O ATOM 14 CB PRO A 2 -9.374 -4.267 -11.699 1.00 52.01 C ATOM 15 CG PRO A 2 -10.575 -3.589 -11.005 1.00 24.15 C ATOM 16 CD PRO A 2 -11.645 -3.553 -12.102 1.00 22.21 C ATOM 0 HA PRO A 2 -9.399 -5.364 -13.584 1.00 21.22 H new ATOM 0 HB2 PRO A 2 -8.737 -4.780 -10.979 1.00 52.01 H new ATOM 0 HB3 PRO A 2 -8.749 -3.537 -12.214 1.00 52.01 H new ATOM 0 HG2 PRO A 2 -10.909 -4.156 -10.136 1.00 24.15 H new ATOM 0 HG3 PRO A 2 -10.324 -2.588 -10.655 1.00 24.15 H new ATOM 0 HD2 PRO A 2 -12.649 -3.616 -11.682 1.00 22.21 H new ATOM 0 HD3 PRO A 2 -11.597 -2.628 -12.676 1.00 22.21 H new ATOM 24 N LYS A 3 -9.199 -7.513 -12.350 1.00 75.13 N ATOM 25 CA LYS A 3 -9.271 -8.870 -11.883 1.00 72.42 C ATOM 26 C LYS A 3 -8.351 -8.965 -10.702 1.00 50.14 C ATOM 27 O LYS A 3 -7.540 -8.070 -10.450 1.00 4.33 O ATOM 28 CB LYS A 3 -8.811 -9.868 -12.961 1.00 43.51 C ATOM 29 CG LYS A 3 -9.781 -9.929 -14.131 1.00 51.20 C ATOM 30 CD LYS A 3 -9.336 -10.869 -15.235 1.00 24.30 C ATOM 31 CE LYS A 3 -9.359 -12.365 -14.868 1.00 62.33 C ATOM 32 NZ LYS A 3 -8.945 -13.187 -16.033 1.00 22.40 N ATOM 0 H LYS A 3 -8.360 -7.297 -12.888 1.00 75.13 H new ATOM 0 HA LYS A 3 -10.301 -9.119 -11.628 1.00 72.42 H new ATOM 0 HB2 LYS A 3 -7.824 -9.581 -13.323 1.00 43.51 H new ATOM 0 HB3 LYS A 3 -8.713 -10.860 -12.519 1.00 43.51 H new ATOM 0 HG2 LYS A 3 -10.758 -10.245 -13.767 1.00 51.20 H new ATOM 0 HG3 LYS A 3 -9.904 -8.928 -14.544 1.00 51.20 H new ATOM 0 HD2 LYS A 3 -9.977 -10.714 -16.103 1.00 24.30 H new ATOM 0 HD3 LYS A 3 -8.323 -10.600 -15.534 1.00 24.30 H new ATOM 0 HE2 LYS A 3 -8.691 -12.551 -14.027 1.00 62.33 H new ATOM 0 HE3 LYS A 3 -10.361 -12.653 -14.549 1.00 62.33 H new ATOM 0 HZ1 LYS A 3 -8.965 -14.194 -15.772 1.00 22.40 H new ATOM 0 HZ2 LYS A 3 -9.599 -13.021 -16.825 1.00 22.40 H new ATOM 0 HZ3 LYS A 3 -7.981 -12.923 -16.319 1.00 22.40 H new ATOM 46 N PRO A 4 -8.493 -10.055 -9.928 1.00 74.53 N ATOM 47 CA PRO A 4 -7.686 -10.282 -8.745 1.00 23.41 C ATOM 48 C PRO A 4 -6.248 -10.440 -9.178 1.00 52.43 C ATOM 49 O PRO A 4 -5.981 -11.258 -10.066 1.00 63.44 O ATOM 50 CB PRO A 4 -8.249 -11.593 -8.128 1.00 24.53 C ATOM 51 CG PRO A 4 -9.658 -11.732 -8.752 1.00 14.45 C ATOM 52 CD PRO A 4 -9.471 -11.126 -10.145 1.00 74.11 C ATOM 0 HA PRO A 4 -7.720 -9.469 -8.020 1.00 23.41 H new ATOM 0 HB2 PRO A 4 -7.620 -12.449 -8.370 1.00 24.53 H new ATOM 0 HB3 PRO A 4 -8.299 -11.532 -7.041 1.00 24.53 H new ATOM 0 HG2 PRO A 4 -9.977 -12.773 -8.803 1.00 14.45 H new ATOM 0 HG3 PRO A 4 -10.411 -11.195 -8.175 1.00 14.45 H new ATOM 0 HD2 PRO A 4 -9.105 -11.865 -10.858 1.00 74.11 H new ATOM 0 HD3 PRO A 4 -10.409 -10.738 -10.542 1.00 74.11 H new ATOM 60 N GLY A 5 -5.322 -9.680 -8.583 1.00 55.04 N ATOM 61 CA GLY A 5 -3.932 -9.829 -8.926 1.00 74.12 C ATOM 62 C GLY A 5 -3.581 -8.848 -10.001 1.00 31.04 C ATOM 63 O GLY A 5 -2.442 -8.829 -10.473 1.00 34.11 O ATOM 0 H GLY A 5 -5.519 -8.972 -7.876 1.00 55.04 H new ATOM 0 HA2 GLY A 5 -3.309 -9.662 -8.048 1.00 74.12 H new ATOM 0 HA3 GLY A 5 -3.736 -10.846 -9.267 1.00 74.12 H new ATOM 67 N ASP A 6 -4.547 -7.991 -10.436 1.00 52.35 N ATOM 68 CA ASP A 6 -4.237 -7.033 -11.485 1.00 4.13 C ATOM 69 C ASP A 6 -3.554 -5.873 -10.819 1.00 60.13 C ATOM 70 O ASP A 6 -3.906 -5.498 -9.701 1.00 11.53 O ATOM 71 CB ASP A 6 -5.475 -6.495 -12.271 1.00 44.41 C ATOM 72 CG ASP A 6 -5.003 -5.785 -13.536 1.00 24.10 C ATOM 73 OD1 ASP A 6 -3.830 -5.967 -13.930 1.00 4.25 O ATOM 74 OD2 ASP A 6 -5.811 -5.058 -14.160 1.00 33.52 O ATOM 0 H ASP A 6 -5.503 -7.957 -10.081 1.00 52.35 H new ATOM 0 HA ASP A 6 -3.621 -7.545 -12.225 1.00 4.13 H new ATOM 0 HB2 ASP A 6 -6.141 -7.318 -12.530 1.00 44.41 H new ATOM 0 HB3 ASP A 6 -6.046 -5.808 -11.646 1.00 44.41 H new ATOM 79 N ILE A 7 -2.527 -5.329 -11.477 1.00 54.42 N ATOM 80 CA ILE A 7 -1.725 -4.333 -10.933 1.00 24.22 C ATOM 81 C ILE A 7 -2.094 -3.025 -11.573 1.00 62.40 C ATOM 82 O ILE A 7 -2.292 -2.946 -12.798 1.00 5.32 O ATOM 83 CB ILE A 7 -0.313 -4.650 -11.253 1.00 70.00 C ATOM 84 CG1 ILE A 7 -0.086 -6.137 -10.860 1.00 21.03 C ATOM 85 CG2 ILE A 7 0.608 -3.623 -10.551 1.00 72.35 C ATOM 86 CD1 ILE A 7 1.322 -6.557 -10.923 1.00 53.52 C ATOM 0 H ILE A 7 -2.258 -5.604 -12.422 1.00 54.42 H new ATOM 0 HA ILE A 7 -1.861 -4.270 -9.853 1.00 24.22 H new ATOM 0 HB ILE A 7 -0.070 -4.559 -12.312 1.00 70.00 H new ATOM 0 HG12 ILE A 7 -0.459 -6.297 -9.848 1.00 21.03 H new ATOM 0 HG13 ILE A 7 -0.675 -6.772 -11.521 1.00 21.03 H new ATOM 0 HG21 ILE A 7 1.649 -3.850 -10.782 1.00 72.35 H new ATOM 0 HG22 ILE A 7 0.369 -2.620 -10.903 1.00 72.35 H new ATOM 0 HG23 ILE A 7 0.456 -3.675 -9.473 1.00 72.35 H new ATOM 0 HD11 ILE A 7 1.402 -7.605 -10.636 1.00 53.52 H new ATOM 0 HD12 ILE A 7 1.694 -6.430 -11.939 1.00 53.52 H new ATOM 0 HD13 ILE A 7 1.914 -5.947 -10.241 1.00 53.52 H new ATOM 98 N PHE A 8 -2.177 -1.968 -10.761 1.00 41.22 N ATOM 99 CA PHE A 8 -2.360 -0.643 -11.290 1.00 25.15 C ATOM 100 C PHE A 8 -1.486 0.265 -10.505 1.00 24.03 C ATOM 101 O PHE A 8 -1.099 -0.051 -9.383 1.00 22.32 O ATOM 102 CB PHE A 8 -3.835 -0.087 -11.334 1.00 32.13 C ATOM 103 CG PHE A 8 -4.519 -0.079 -9.970 1.00 12.21 C ATOM 104 CD1 PHE A 8 -4.758 -1.278 -9.241 1.00 5.22 C ATOM 105 CD2 PHE A 8 -5.013 1.140 -9.435 1.00 50.12 C ATOM 106 CE1 PHE A 8 -5.461 -1.241 -8.024 1.00 51.21 C ATOM 107 CE2 PHE A 8 -5.731 1.157 -8.222 1.00 14.25 C ATOM 108 CZ PHE A 8 -5.950 -0.030 -7.519 1.00 41.21 C ATOM 0 H PHE A 8 -2.119 -2.018 -9.744 1.00 41.22 H new ATOM 0 HA PHE A 8 -2.093 -0.695 -12.346 1.00 25.15 H new ATOM 0 HB2 PHE A 8 -3.821 0.928 -11.732 1.00 32.13 H new ATOM 0 HB3 PHE A 8 -4.423 -0.692 -12.024 1.00 32.13 H new ATOM 0 HD1 PHE A 8 -4.397 -2.221 -9.625 1.00 5.22 H new ATOM 0 HD2 PHE A 8 -4.837 2.065 -9.964 1.00 50.12 H new ATOM 0 HE1 PHE A 8 -5.625 -2.155 -7.473 1.00 51.21 H new ATOM 0 HE2 PHE A 8 -6.113 2.090 -7.835 1.00 14.25 H new ATOM 0 HZ PHE A 8 -6.496 -0.014 -6.587 1.00 41.21 H new ATOM 118 N GLU A 9 -1.116 1.399 -11.112 1.00 50.43 N ATOM 119 CA GLU A 9 -0.283 2.367 -10.449 1.00 33.24 C ATOM 120 C GLU A 9 -1.178 3.490 -10.092 1.00 1.23 C ATOM 121 O GLU A 9 -2.101 3.798 -10.841 1.00 72.31 O ATOM 122 CB GLU A 9 0.811 2.952 -11.366 1.00 64.02 C ATOM 123 CG GLU A 9 1.716 1.889 -12.016 1.00 11.13 C ATOM 124 CD GLU A 9 2.829 2.591 -12.770 1.00 15.31 C ATOM 125 OE1 GLU A 9 2.838 3.845 -12.806 1.00 34.11 O ATOM 126 OE2 GLU A 9 3.714 1.901 -13.308 1.00 73.31 O ATOM 0 H GLU A 9 -1.388 1.654 -12.061 1.00 50.43 H new ATOM 0 HA GLU A 9 0.209 1.884 -9.605 1.00 33.24 H new ATOM 0 HB2 GLU A 9 0.336 3.540 -12.151 1.00 64.02 H new ATOM 0 HB3 GLU A 9 1.430 3.636 -10.786 1.00 64.02 H new ATOM 0 HG2 GLU A 9 2.133 1.231 -11.254 1.00 11.13 H new ATOM 0 HG3 GLU A 9 1.136 1.263 -12.695 1.00 11.13 H new ATOM 133 N VAL A 10 -0.932 4.150 -8.953 1.00 63.41 N ATOM 134 CA VAL A 10 -1.710 5.306 -8.620 1.00 22.33 C ATOM 135 C VAL A 10 -0.789 6.276 -7.985 1.00 44.13 C ATOM 136 O VAL A 10 0.258 5.903 -7.424 1.00 35.12 O ATOM 137 CB VAL A 10 -2.864 5.044 -7.658 1.00 52.35 C ATOM 138 CG1 VAL A 10 -3.869 4.130 -8.358 1.00 31.33 C ATOM 139 CG2 VAL A 10 -2.320 4.454 -6.342 1.00 51.13 C ATOM 0 H VAL A 10 -0.214 3.896 -8.274 1.00 63.41 H new ATOM 0 HA VAL A 10 -2.165 5.667 -9.542 1.00 22.33 H new ATOM 0 HB VAL A 10 -3.379 5.966 -7.390 1.00 52.35 H new ATOM 0 HG11 VAL A 10 -4.705 3.928 -7.688 1.00 31.33 H new ATOM 0 HG12 VAL A 10 -4.237 4.618 -9.261 1.00 31.33 H new ATOM 0 HG13 VAL A 10 -3.383 3.192 -8.625 1.00 31.33 H new ATOM 0 HG21 VAL A 10 -3.147 4.268 -5.657 1.00 51.13 H new ATOM 0 HG22 VAL A 10 -1.803 3.517 -6.550 1.00 51.13 H new ATOM 0 HG23 VAL A 10 -1.624 5.159 -5.887 1.00 51.13 H new ATOM 149 N GLU A 11 -1.172 7.548 -8.062 1.00 24.04 N ATOM 150 CA GLU A 11 -0.546 8.562 -7.289 1.00 4.44 C ATOM 151 C GLU A 11 -1.508 8.857 -6.181 1.00 65.11 C ATOM 152 O GLU A 11 -2.687 9.153 -6.429 1.00 25.25 O ATOM 153 CB GLU A 11 -0.253 9.863 -8.077 1.00 43.45 C ATOM 154 CG GLU A 11 -1.467 10.473 -8.811 1.00 53.30 C ATOM 155 CD GLU A 11 -0.987 11.663 -9.589 1.00 24.24 C ATOM 156 OE1 GLU A 11 -0.360 12.561 -8.992 1.00 14.31 O ATOM 157 OE2 GLU A 11 -1.217 11.701 -10.806 1.00 41.13 O ATOM 0 H GLU A 11 -1.924 7.881 -8.666 1.00 24.04 H new ATOM 0 HA GLU A 11 0.428 8.210 -6.949 1.00 4.44 H new ATOM 0 HB2 GLU A 11 0.145 10.606 -7.386 1.00 43.45 H new ATOM 0 HB3 GLU A 11 0.528 9.658 -8.809 1.00 43.45 H new ATOM 0 HG2 GLU A 11 -1.918 9.738 -9.478 1.00 53.30 H new ATOM 0 HG3 GLU A 11 -2.235 10.769 -8.097 1.00 53.30 H new ATOM 164 N LEU A 12 -1.059 8.723 -4.941 1.00 63.24 N ATOM 165 CA LEU A 12 -1.884 9.045 -3.811 1.00 44.34 C ATOM 166 C LEU A 12 -1.045 9.875 -2.955 1.00 30.32 C ATOM 167 O LEU A 12 0.100 9.559 -2.710 1.00 15.42 O ATOM 168 CB LEU A 12 -2.330 7.824 -2.970 1.00 43.45 C ATOM 169 CG LEU A 12 -3.429 7.016 -3.632 1.00 31.41 C ATOM 170 CD1 LEU A 12 -3.371 5.578 -3.192 1.00 24.21 C ATOM 171 CD2 LEU A 12 -4.807 7.646 -3.408 1.00 51.43 C ATOM 0 H LEU A 12 -0.124 8.392 -4.703 1.00 63.24 H new ATOM 0 HA LEU A 12 -2.798 9.515 -4.175 1.00 44.34 H new ATOM 0 HB2 LEU A 12 -1.470 7.179 -2.792 1.00 43.45 H new ATOM 0 HB3 LEU A 12 -2.677 8.168 -1.996 1.00 43.45 H new ATOM 0 HG LEU A 12 -3.261 7.030 -4.709 1.00 31.41 H new ATOM 0 HD11 LEU A 12 -4.168 5.016 -3.679 1.00 24.21 H new ATOM 0 HD12 LEU A 12 -2.406 5.152 -3.467 1.00 24.21 H new ATOM 0 HD13 LEU A 12 -3.496 5.523 -2.111 1.00 24.21 H new ATOM 0 HD21 LEU A 12 -5.569 7.039 -3.897 1.00 51.43 H new ATOM 0 HD22 LEU A 12 -5.015 7.697 -2.339 1.00 51.43 H new ATOM 0 HD23 LEU A 12 -4.820 8.652 -3.828 1.00 51.43 H new ATOM 183 N ALA A 13 -1.594 10.975 -2.489 1.00 2.34 N ATOM 184 CA ALA A 13 -0.859 11.836 -1.625 1.00 52.13 C ATOM 185 C ALA A 13 -1.037 11.286 -0.260 1.00 13.32 C ATOM 186 O ALA A 13 -2.026 10.647 0.025 1.00 53.23 O ATOM 187 CB ALA A 13 -1.357 13.293 -1.620 1.00 33.22 C ATOM 0 H ALA A 13 -2.543 11.283 -2.700 1.00 2.34 H new ATOM 0 HA ALA A 13 0.175 11.868 -1.967 1.00 52.13 H new ATOM 0 HB1 ALA A 13 -0.746 13.884 -0.938 1.00 33.22 H new ATOM 0 HB2 ALA A 13 -1.282 13.707 -2.626 1.00 33.22 H new ATOM 0 HB3 ALA A 13 -2.396 13.321 -1.293 1.00 33.22 H new ATOM 193 N LYS A 14 -0.070 11.529 0.624 1.00 61.50 N ATOM 194 CA LYS A 14 -0.274 11.215 2.028 1.00 74.23 C ATOM 195 C LYS A 14 -1.298 12.217 2.537 1.00 35.32 C ATOM 196 O LYS A 14 -2.194 11.873 3.304 1.00 13.15 O ATOM 197 CB LYS A 14 1.017 11.303 2.890 1.00 23.24 C ATOM 198 CG LYS A 14 2.042 10.187 2.560 1.00 31.30 C ATOM 199 CD LYS A 14 3.164 10.024 3.614 1.00 13.14 C ATOM 200 CE LYS A 14 4.275 11.095 3.570 1.00 11.30 C ATOM 201 NZ LYS A 14 5.183 10.897 2.424 1.00 53.15 N ATOM 0 H LYS A 14 0.839 11.932 0.397 1.00 61.50 H new ATOM 0 HA LYS A 14 -0.604 10.180 2.114 1.00 74.23 H new ATOM 0 HB2 LYS A 14 1.485 12.275 2.736 1.00 23.24 H new ATOM 0 HB3 LYS A 14 0.748 11.242 3.945 1.00 23.24 H new ATOM 0 HG2 LYS A 14 1.512 9.240 2.461 1.00 31.30 H new ATOM 0 HG3 LYS A 14 2.496 10.401 1.592 1.00 31.30 H new ATOM 0 HD2 LYS A 14 2.712 10.035 4.606 1.00 13.14 H new ATOM 0 HD3 LYS A 14 3.622 9.044 3.483 1.00 13.14 H new ATOM 0 HE2 LYS A 14 3.823 12.085 3.509 1.00 11.30 H new ATOM 0 HE3 LYS A 14 4.848 11.063 4.497 1.00 11.30 H new ATOM 0 HZ1 LYS A 14 6.167 11.035 2.733 1.00 53.15 H new ATOM 0 HZ2 LYS A 14 5.068 9.932 2.053 1.00 53.15 H new ATOM 0 HZ3 LYS A 14 4.955 11.584 1.678 1.00 53.15 H new ATOM 215 N ASN A 15 -1.192 13.453 2.006 1.00 5.22 N ATOM 216 CA ASN A 15 -2.103 14.563 2.268 1.00 52.02 C ATOM 217 C ASN A 15 -1.709 15.191 3.564 1.00 24.41 C ATOM 218 O ASN A 15 -1.791 14.566 4.623 1.00 31.42 O ATOM 219 CB ASN A 15 -3.633 14.239 2.249 1.00 54.55 C ATOM 220 CG ASN A 15 -4.409 15.554 2.197 1.00 32.23 C ATOM 221 OD1 ASN A 15 -4.133 16.408 1.353 1.00 2.13 O ATOM 222 ND2 ASN A 15 -5.394 15.733 3.095 1.00 61.11 N ATOM 0 H ASN A 15 -0.441 13.704 1.363 1.00 5.22 H new ATOM 0 HA ASN A 15 -1.991 15.245 1.425 1.00 52.02 H new ATOM 0 HB2 ASN A 15 -3.878 13.621 1.385 1.00 54.55 H new ATOM 0 HB3 ASN A 15 -3.910 13.671 3.137 1.00 54.55 H new ATOM 0 HD21 ASN A 15 -5.938 16.596 3.090 1.00 61.11 H new ATOM 0 HD22 ASN A 15 -5.597 15.006 3.781 1.00 61.11 H new ATOM 229 N ASP A 16 -1.218 16.458 3.490 1.00 21.44 N ATOM 230 CA ASP A 16 -0.657 17.170 4.654 1.00 52.15 C ATOM 231 C ASP A 16 0.500 16.344 5.190 1.00 75.10 C ATOM 232 O ASP A 16 0.730 16.272 6.380 1.00 52.01 O ATOM 233 CB ASP A 16 -1.691 17.479 5.783 1.00 14.22 C ATOM 234 CG ASP A 16 -1.096 18.482 6.757 1.00 22.52 C ATOM 235 OD1 ASP A 16 -0.632 19.546 6.305 1.00 21.02 O ATOM 236 OD2 ASP A 16 -1.115 18.213 7.982 1.00 23.53 O ATOM 0 H ASP A 16 -1.203 17.003 2.628 1.00 21.44 H new ATOM 0 HA ASP A 16 -0.325 18.151 4.315 1.00 52.15 H new ATOM 0 HB2 ASP A 16 -2.609 17.877 5.351 1.00 14.22 H new ATOM 0 HB3 ASP A 16 -1.957 16.561 6.307 1.00 14.22 H new ATOM 241 N ASN A 17 1.240 15.711 4.228 1.00 11.33 N ATOM 242 CA ASN A 17 2.346 14.717 4.433 1.00 44.23 C ATOM 243 C ASN A 17 2.076 13.648 5.501 1.00 12.34 C ATOM 244 O ASN A 17 2.949 12.822 5.757 1.00 22.24 O ATOM 245 CB ASN A 17 3.744 15.335 4.690 1.00 63.40 C ATOM 246 CG ASN A 17 4.148 16.140 3.459 1.00 44.30 C ATOM 247 OD1 ASN A 17 4.124 15.629 2.329 1.00 20.32 O ATOM 248 ND2 ASN A 17 4.531 17.407 3.652 1.00 25.32 N ATOM 0 H ASN A 17 1.073 15.889 3.237 1.00 11.33 H new ATOM 0 HA ASN A 17 2.360 14.227 3.459 1.00 44.23 H new ATOM 0 HB2 ASN A 17 3.719 15.976 5.571 1.00 63.40 H new ATOM 0 HB3 ASN A 17 4.475 14.551 4.887 1.00 63.40 H new ATOM 0 HD21 ASN A 17 4.814 17.981 2.858 1.00 25.32 H new ATOM 0 HD22 ASN A 17 4.540 17.799 4.594 1.00 25.32 H new ATOM 255 N SER A 18 0.905 13.618 6.130 1.00 54.22 N ATOM 256 CA SER A 18 0.663 12.696 7.205 1.00 11.35 C ATOM 257 C SER A 18 -0.050 11.516 6.644 1.00 72.24 C ATOM 258 O SER A 18 -1.098 11.652 6.035 1.00 1.32 O ATOM 259 CB SER A 18 -0.235 13.307 8.293 1.00 31.25 C ATOM 260 OG SER A 18 0.396 14.467 8.844 1.00 2.22 O ATOM 0 H SER A 18 0.117 14.226 5.905 1.00 54.22 H new ATOM 0 HA SER A 18 1.621 12.432 7.652 1.00 11.35 H new ATOM 0 HB2 SER A 18 -1.204 13.574 7.871 1.00 31.25 H new ATOM 0 HB3 SER A 18 -0.421 12.574 9.079 1.00 31.25 H new ATOM 0 HG SER A 18 0.569 15.115 8.130 1.00 2.22 H new ATOM 266 N LEU A 19 0.508 10.313 6.850 1.00 0.01 N ATOM 267 CA LEU A 19 -0.182 9.106 6.471 1.00 12.02 C ATOM 268 C LEU A 19 -0.850 8.607 7.720 1.00 52.52 C ATOM 269 O LEU A 19 -1.065 9.366 8.654 1.00 72.42 O ATOM 270 CB LEU A 19 0.733 7.977 5.861 1.00 54.32 C ATOM 271 CG LEU A 19 1.831 7.352 6.798 1.00 25.23 C ATOM 272 CD1 LEU A 19 2.496 6.130 6.138 1.00 73.22 C ATOM 273 CD2 LEU A 19 2.876 8.363 7.320 1.00 41.13 C ATOM 0 H LEU A 19 1.425 10.168 7.273 1.00 0.01 H new ATOM 0 HA LEU A 19 -0.879 9.345 5.668 1.00 12.02 H new ATOM 0 HB2 LEU A 19 0.087 7.170 5.514 1.00 54.32 H new ATOM 0 HB3 LEU A 19 1.232 8.386 4.983 1.00 54.32 H new ATOM 0 HG LEU A 19 1.299 7.017 7.688 1.00 25.23 H new ATOM 0 HD11 LEU A 19 3.250 5.720 6.809 1.00 73.22 H new ATOM 0 HD12 LEU A 19 1.741 5.371 5.933 1.00 73.22 H new ATOM 0 HD13 LEU A 19 2.968 6.433 5.204 1.00 73.22 H new ATOM 0 HD21 LEU A 19 3.594 7.847 7.958 1.00 41.13 H new ATOM 0 HD22 LEU A 19 3.398 8.815 6.477 1.00 41.13 H new ATOM 0 HD23 LEU A 19 2.374 9.141 7.895 1.00 41.13 H new ATOM 285 N GLY A 20 -1.185 7.328 7.767 1.00 24.40 N ATOM 286 CA GLY A 20 -1.774 6.776 8.960 1.00 21.52 C ATOM 287 C GLY A 20 -2.444 5.525 8.561 1.00 71.42 C ATOM 288 O GLY A 20 -3.457 5.155 9.114 1.00 62.32 O ATOM 0 H GLY A 20 -1.059 6.666 7.001 1.00 24.40 H new ATOM 0 HA2 GLY A 20 -1.011 6.583 9.715 1.00 21.52 H new ATOM 0 HA3 GLY A 20 -2.487 7.474 9.398 1.00 21.52 H new ATOM 292 N ILE A 21 -1.886 4.829 7.545 1.00 33.23 N ATOM 293 CA ILE A 21 -2.528 3.649 7.027 1.00 21.13 C ATOM 294 C ILE A 21 -2.002 2.509 7.887 1.00 1.23 C ATOM 295 O ILE A 21 -1.110 2.724 8.709 1.00 24.41 O ATOM 296 CB ILE A 21 -2.215 3.389 5.533 1.00 61.24 C ATOM 297 CG1 ILE A 21 -1.947 4.722 4.765 1.00 34.25 C ATOM 298 CG2 ILE A 21 -3.383 2.589 4.905 1.00 52.44 C ATOM 299 CD1 ILE A 21 -3.164 5.665 4.688 1.00 2.22 C ATOM 0 H ILE A 21 -1.008 5.076 7.089 1.00 33.23 H new ATOM 0 HA ILE A 21 -3.612 3.755 7.071 1.00 21.13 H new ATOM 0 HB ILE A 21 -1.301 2.801 5.454 1.00 61.24 H new ATOM 0 HG12 ILE A 21 -1.125 5.248 5.250 1.00 34.25 H new ATOM 0 HG13 ILE A 21 -1.621 4.485 3.752 1.00 34.25 H new ATOM 0 HG21 ILE A 21 -3.171 2.401 3.852 1.00 52.44 H new ATOM 0 HG22 ILE A 21 -3.496 1.639 5.427 1.00 52.44 H new ATOM 0 HG23 ILE A 21 -4.306 3.163 4.993 1.00 52.44 H new ATOM 0 HD11 ILE A 21 -2.892 6.566 4.139 1.00 2.22 H new ATOM 0 HD12 ILE A 21 -3.983 5.161 4.175 1.00 2.22 H new ATOM 0 HD13 ILE A 21 -3.479 5.936 5.696 1.00 2.22 H new ATOM 311 N CYS A 22 -2.521 1.293 7.712 1.00 51.53 N ATOM 312 CA CYS A 22 -2.010 0.171 8.484 1.00 12.11 C ATOM 313 C CYS A 22 -1.991 -0.946 7.515 1.00 14.22 C ATOM 314 O CYS A 22 -2.477 -0.811 6.388 1.00 15.00 O ATOM 315 CB CYS A 22 -2.962 -0.293 9.647 1.00 3.11 C ATOM 316 SG CYS A 22 -2.742 0.594 11.236 1.00 43.41 S ATOM 0 H CYS A 22 -3.273 1.068 7.061 1.00 51.53 H new ATOM 0 HA CYS A 22 -1.058 0.452 8.934 1.00 12.11 H new ATOM 0 HB2 CYS A 22 -3.995 -0.170 9.321 1.00 3.11 H new ATOM 0 HB3 CYS A 22 -2.807 -1.358 9.819 1.00 3.11 H new ATOM 321 N VAL A 23 -1.314 -2.037 7.893 1.00 0.32 N ATOM 322 CA VAL A 23 -1.018 -3.072 6.967 1.00 74.22 C ATOM 323 C VAL A 23 -1.006 -4.355 7.735 1.00 11.42 C ATOM 324 O VAL A 23 -1.095 -4.363 8.963 1.00 74.13 O ATOM 325 CB VAL A 23 0.343 -2.910 6.285 1.00 71.51 C ATOM 326 CG1 VAL A 23 0.257 -1.752 5.261 1.00 61.22 C ATOM 327 CG2 VAL A 23 1.437 -2.703 7.358 1.00 53.01 C ATOM 0 H VAL A 23 -0.972 -2.201 8.840 1.00 0.32 H new ATOM 0 HA VAL A 23 -1.771 -3.047 6.179 1.00 74.22 H new ATOM 0 HB VAL A 23 0.617 -3.808 5.732 1.00 71.51 H new ATOM 0 HG11 VAL A 23 1.222 -1.628 4.770 1.00 61.22 H new ATOM 0 HG12 VAL A 23 -0.503 -1.982 4.515 1.00 61.22 H new ATOM 0 HG13 VAL A 23 -0.008 -0.829 5.777 1.00 61.22 H new ATOM 0 HG21 VAL A 23 2.406 -2.588 6.872 1.00 53.01 H new ATOM 0 HG22 VAL A 23 1.213 -1.808 7.938 1.00 53.01 H new ATOM 0 HG23 VAL A 23 1.464 -3.568 8.021 1.00 53.01 H new ATOM 337 N THR A 24 -0.884 -5.458 7.006 1.00 13.41 N ATOM 338 CA THR A 24 -0.771 -6.743 7.599 1.00 44.34 C ATOM 339 C THR A 24 -0.146 -7.593 6.516 1.00 23.12 C ATOM 340 O THR A 24 -0.110 -7.182 5.348 1.00 44.55 O ATOM 341 CB THR A 24 -2.131 -7.319 8.069 1.00 14.32 C ATOM 342 OG1 THR A 24 -2.010 -8.620 8.656 1.00 42.51 O ATOM 343 CG2 THR A 24 -3.133 -7.343 6.899 1.00 11.43 C ATOM 0 H THR A 24 -0.863 -5.464 5.986 1.00 13.41 H new ATOM 0 HA THR A 24 -0.174 -6.711 8.511 1.00 44.34 H new ATOM 0 HB THR A 24 -2.504 -6.658 8.851 1.00 14.32 H new ATOM 0 HG1 THR A 24 -2.894 -8.936 8.936 1.00 42.51 H new ATOM 0 HG21 THR A 24 -4.084 -7.750 7.243 1.00 11.43 H new ATOM 0 HG22 THR A 24 -3.285 -6.329 6.529 1.00 11.43 H new ATOM 0 HG23 THR A 24 -2.740 -7.967 6.096 1.00 11.43 H new ATOM 351 N GLY A 25 0.382 -8.770 6.892 1.00 21.22 N ATOM 352 CA GLY A 25 1.007 -9.661 5.937 1.00 42.21 C ATOM 353 C GLY A 25 2.422 -9.223 5.741 1.00 70.42 C ATOM 354 O GLY A 25 3.109 -8.847 6.692 1.00 71.01 O ATOM 0 H GLY A 25 0.382 -9.114 7.852 1.00 21.22 H new ATOM 0 HA2 GLY A 25 0.975 -10.689 6.299 1.00 42.21 H new ATOM 0 HA3 GLY A 25 0.469 -9.640 4.990 1.00 42.21 H new ATOM 358 N GLY A 26 2.887 -9.257 4.477 1.00 10.34 N ATOM 359 CA GLY A 26 4.214 -8.800 4.153 1.00 23.23 C ATOM 360 C GLY A 26 5.066 -9.970 3.920 1.00 33.44 C ATOM 361 O GLY A 26 5.341 -10.335 2.781 1.00 21.22 O ATOM 0 H GLY A 26 2.350 -9.598 3.680 1.00 10.34 H new ATOM 0 HA2 GLY A 26 4.190 -8.166 3.266 1.00 23.23 H new ATOM 0 HA3 GLY A 26 4.615 -8.195 4.966 1.00 23.23 H new ATOM 365 N VAL A 27 5.521 -10.593 5.021 1.00 5.24 N ATOM 366 CA VAL A 27 6.524 -11.650 4.971 1.00 3.51 C ATOM 367 C VAL A 27 5.910 -12.969 4.489 1.00 61.23 C ATOM 368 O VAL A 27 6.481 -14.036 4.684 1.00 74.32 O ATOM 369 CB VAL A 27 7.257 -11.860 6.287 1.00 34.42 C ATOM 370 CG1 VAL A 27 8.727 -12.172 5.940 1.00 22.33 C ATOM 371 CG2 VAL A 27 7.111 -10.585 7.140 1.00 0.45 C ATOM 0 H VAL A 27 5.200 -10.373 5.964 1.00 5.24 H new ATOM 0 HA VAL A 27 7.270 -11.313 4.251 1.00 3.51 H new ATOM 0 HB VAL A 27 6.849 -12.687 6.868 1.00 34.42 H new ATOM 0 HG11 VAL A 27 9.292 -12.330 6.859 1.00 22.33 H new ATOM 0 HG12 VAL A 27 8.773 -13.072 5.326 1.00 22.33 H new ATOM 0 HG13 VAL A 27 9.156 -11.335 5.390 1.00 22.33 H new ATOM 0 HG21 VAL A 27 7.632 -10.720 8.088 1.00 0.45 H new ATOM 0 HG22 VAL A 27 7.543 -9.739 6.606 1.00 0.45 H new ATOM 0 HG23 VAL A 27 6.055 -10.393 7.330 1.00 0.45 H new ATOM 381 N ASN A 28 4.714 -12.875 3.875 1.00 44.51 N ATOM 382 CA ASN A 28 3.981 -14.018 3.258 1.00 15.31 C ATOM 383 C ASN A 28 3.176 -14.693 4.335 1.00 65.14 C ATOM 384 O ASN A 28 2.505 -15.691 4.102 1.00 25.13 O ATOM 385 CB ASN A 28 4.895 -15.069 2.523 1.00 32.02 C ATOM 386 CG ASN A 28 4.054 -16.077 1.729 1.00 3.14 C ATOM 387 OD1 ASN A 28 3.869 -17.221 2.152 1.00 70.52 O ATOM 388 ND2 ASN A 28 3.555 -15.666 0.559 1.00 43.12 N ATOM 0 H ASN A 28 4.214 -11.990 3.788 1.00 44.51 H new ATOM 0 HA ASN A 28 3.346 -13.605 2.474 1.00 15.31 H new ATOM 0 HB2 ASN A 28 5.579 -14.552 1.850 1.00 32.02 H new ATOM 0 HB3 ASN A 28 5.506 -15.598 3.254 1.00 32.02 H new ATOM 0 HD21 ASN A 28 3.003 -16.305 -0.013 1.00 43.12 H new ATOM 0 HD22 ASN A 28 3.726 -14.713 0.238 1.00 43.12 H new ATOM 395 N THR A 29 3.187 -14.087 5.526 1.00 12.51 N ATOM 396 CA THR A 29 2.317 -14.459 6.622 1.00 74.23 C ATOM 397 C THR A 29 0.807 -14.410 6.210 1.00 25.42 C ATOM 398 O THR A 29 0.469 -14.320 5.030 1.00 64.33 O ATOM 399 CB THR A 29 2.587 -13.639 7.872 1.00 34.02 C ATOM 400 OG1 THR A 29 2.531 -12.241 7.587 1.00 30.21 O ATOM 401 CG2 THR A 29 4.012 -13.991 8.367 1.00 13.21 C ATOM 0 H THR A 29 3.814 -13.314 5.749 1.00 12.51 H new ATOM 0 HA THR A 29 2.549 -15.495 6.869 1.00 74.23 H new ATOM 0 HB THR A 29 1.833 -13.866 8.626 1.00 34.02 H new ATOM 0 HG1 THR A 29 2.706 -11.733 8.406 1.00 30.21 H new ATOM 0 HG21 THR A 29 4.237 -13.417 9.266 1.00 13.21 H new ATOM 0 HG22 THR A 29 4.066 -15.056 8.593 1.00 13.21 H new ATOM 0 HG23 THR A 29 4.737 -13.748 7.590 1.00 13.21 H new ATOM 409 N SER A 30 -0.084 -14.560 7.237 1.00 63.33 N ATOM 410 CA SER A 30 -1.517 -14.918 7.140 1.00 34.51 C ATOM 411 C SER A 30 -2.230 -14.489 5.857 1.00 54.44 C ATOM 412 O SER A 30 -3.001 -15.281 5.297 1.00 3.01 O ATOM 413 CB SER A 30 -2.311 -14.351 8.341 1.00 55.30 C ATOM 414 OG SER A 30 -1.655 -14.702 9.575 1.00 61.22 O ATOM 0 H SER A 30 0.205 -14.424 8.206 1.00 63.33 H new ATOM 0 HA SER A 30 -1.503 -16.008 7.137 1.00 34.51 H new ATOM 0 HB2 SER A 30 -2.389 -13.267 8.257 1.00 55.30 H new ATOM 0 HB3 SER A 30 -3.327 -14.745 8.335 1.00 55.30 H new ATOM 0 HG SER A 30 -2.163 -14.338 10.330 1.00 61.22 H new ATOM 420 N VAL A 31 -2.026 -13.237 5.391 1.00 33.41 N ATOM 421 CA VAL A 31 -2.801 -12.706 4.275 1.00 21.41 C ATOM 422 C VAL A 31 -2.723 -13.607 3.052 1.00 55.42 C ATOM 423 O VAL A 31 -1.660 -14.125 2.695 1.00 72.22 O ATOM 424 CB VAL A 31 -2.439 -11.308 3.874 1.00 22.31 C ATOM 425 CG1 VAL A 31 -2.750 -10.380 5.038 1.00 23.13 C ATOM 426 CG2 VAL A 31 -0.968 -11.261 3.464 1.00 1.41 C ATOM 0 H VAL A 31 -1.336 -12.590 5.773 1.00 33.41 H new ATOM 0 HA VAL A 31 -3.822 -12.677 4.655 1.00 21.41 H new ATOM 0 HB VAL A 31 -3.021 -10.979 3.013 1.00 22.31 H new ATOM 0 HG11 VAL A 31 -2.493 -9.356 4.766 1.00 23.13 H new ATOM 0 HG12 VAL A 31 -3.812 -10.437 5.275 1.00 23.13 H new ATOM 0 HG13 VAL A 31 -2.168 -10.681 5.909 1.00 23.13 H new ATOM 0 HG21 VAL A 31 -0.704 -10.245 3.172 1.00 1.41 H new ATOM 0 HG22 VAL A 31 -0.346 -11.571 4.304 1.00 1.41 H new ATOM 0 HG23 VAL A 31 -0.803 -11.934 2.623 1.00 1.41 H new ATOM 436 N ARG A 32 -3.910 -13.793 2.423 1.00 33.21 N ATOM 437 CA ARG A 32 -4.145 -14.644 1.251 1.00 12.15 C ATOM 438 C ARG A 32 -2.974 -14.659 0.275 1.00 21.12 C ATOM 439 O ARG A 32 -2.303 -15.672 0.125 1.00 24.45 O ATOM 440 CB ARG A 32 -5.406 -14.203 0.461 1.00 14.12 C ATOM 441 CG ARG A 32 -6.696 -14.134 1.310 1.00 73.41 C ATOM 442 CD ARG A 32 -7.132 -15.484 1.890 1.00 2.43 C ATOM 443 NE ARG A 32 -7.265 -16.447 0.746 1.00 31.12 N ATOM 444 CZ ARG A 32 -7.357 -17.801 0.948 1.00 30.52 C ATOM 445 NH1 ARG A 32 -7.436 -18.308 2.209 1.00 54.10 N ATOM 446 NH2 ARG A 32 -7.369 -18.634 -0.127 1.00 52.53 N ATOM 0 H ARG A 32 -4.761 -13.329 2.740 1.00 33.21 H new ATOM 0 HA ARG A 32 -4.281 -15.645 1.662 1.00 12.15 H new ATOM 0 HB2 ARG A 32 -5.221 -13.223 0.022 1.00 14.12 H new ATOM 0 HB3 ARG A 32 -5.565 -14.897 -0.364 1.00 14.12 H new ATOM 0 HG2 ARG A 32 -6.543 -13.431 2.128 1.00 73.41 H new ATOM 0 HG3 ARG A 32 -7.503 -13.737 0.695 1.00 73.41 H new ATOM 0 HD2 ARG A 32 -6.399 -15.845 2.612 1.00 2.43 H new ATOM 0 HD3 ARG A 32 -8.079 -15.385 2.420 1.00 2.43 H new ATOM 0 HE ARG A 32 -7.288 -16.085 -0.207 1.00 31.12 H new ATOM 0 HH11 ARG A 32 -7.427 -17.680 3.013 1.00 54.10 H new ATOM 0 HH12 ARG A 32 -7.504 -19.316 2.350 1.00 54.10 H new ATOM 0 HH21 ARG A 32 -7.310 -18.250 -1.070 1.00 52.53 H new ATOM 0 HH22 ARG A 32 -7.437 -19.642 0.010 1.00 52.53 H new ATOM 460 N HIS A 33 -2.742 -13.554 -0.455 1.00 11.23 N ATOM 461 CA HIS A 33 -1.783 -13.598 -1.560 1.00 12.30 C ATOM 462 C HIS A 33 -0.374 -13.563 -1.025 1.00 72.43 C ATOM 463 O HIS A 33 0.557 -13.895 -1.744 1.00 10.42 O ATOM 464 CB HIS A 33 -1.942 -12.453 -2.590 1.00 52.04 C ATOM 465 CG HIS A 33 -1.117 -12.664 -3.846 1.00 64.54 C ATOM 466 ND1 HIS A 33 -0.943 -11.689 -4.780 1.00 14.23 N ATOM 467 CD2 HIS A 33 -0.469 -13.763 -4.298 1.00 61.40 C ATOM 468 CE1 HIS A 33 -0.213 -12.173 -5.770 1.00 12.51 C ATOM 469 NE2 HIS A 33 0.094 -13.430 -5.494 1.00 71.34 N ATOM 0 H HIS A 33 -3.191 -12.651 -0.304 1.00 11.23 H new ATOM 0 HA HIS A 33 -1.991 -14.531 -2.083 1.00 12.30 H new ATOM 0 HB2 HIS A 33 -2.993 -12.362 -2.864 1.00 52.04 H new ATOM 0 HB3 HIS A 33 -1.651 -11.511 -2.125 1.00 52.04 H new ATOM 0 HD1 HIS A 33 -1.315 -10.741 -4.725 1.00 14.23 H new ATOM 0 HD2 HIS A 33 -0.409 -14.722 -3.805 1.00 61.40 H new ATOM 0 HE1 HIS A 33 0.084 -11.632 -6.657 1.00 12.51 H new ATOM 478 N GLY A 34 -0.174 -13.184 0.255 1.00 10.23 N ATOM 479 CA GLY A 34 1.167 -13.164 0.801 1.00 72.42 C ATOM 480 C GLY A 34 1.831 -11.907 0.352 1.00 11.31 C ATOM 481 O GLY A 34 2.823 -11.940 -0.357 1.00 24.34 O ATOM 0 H GLY A 34 -0.911 -12.898 0.900 1.00 10.23 H new ATOM 0 HA2 GLY A 34 1.135 -13.210 1.890 1.00 72.42 H new ATOM 0 HA3 GLY A 34 1.729 -14.034 0.461 1.00 72.42 H new ATOM 485 N GLY A 35 1.273 -10.767 0.750 1.00 72.41 N ATOM 486 CA GLY A 35 1.774 -9.489 0.329 1.00 0.53 C ATOM 487 C GLY A 35 1.459 -8.587 1.447 1.00 35.14 C ATOM 488 O GLY A 35 0.925 -9.029 2.440 1.00 5.22 O ATOM 0 H GLY A 35 0.465 -10.717 1.371 1.00 72.41 H new ATOM 0 HA2 GLY A 35 2.847 -9.526 0.138 1.00 0.53 H new ATOM 0 HA3 GLY A 35 1.297 -9.160 -0.594 1.00 0.53 H new ATOM 492 N ILE A 36 1.791 -7.291 1.334 1.00 71.42 N ATOM 493 CA ILE A 36 1.369 -6.351 2.312 1.00 34.12 C ATOM 494 C ILE A 36 0.006 -5.984 1.903 1.00 11.31 C ATOM 495 O ILE A 36 -0.203 -5.558 0.779 1.00 55.12 O ATOM 496 CB ILE A 36 2.251 -5.107 2.340 1.00 41.24 C ATOM 497 CG1 ILE A 36 3.479 -5.434 3.142 1.00 14.20 C ATOM 498 CG2 ILE A 36 1.484 -3.889 2.898 1.00 51.40 C ATOM 499 CD1 ILE A 36 3.160 -5.673 4.602 1.00 25.41 C ATOM 0 H ILE A 36 2.346 -6.900 0.573 1.00 71.42 H new ATOM 0 HA ILE A 36 1.424 -6.777 3.314 1.00 34.12 H new ATOM 0 HB ILE A 36 2.548 -4.826 1.330 1.00 41.24 H new ATOM 0 HG12 ILE A 36 3.957 -6.321 2.726 1.00 14.20 H new ATOM 0 HG13 ILE A 36 4.195 -4.616 3.057 1.00 14.20 H new ATOM 0 HG21 ILE A 36 2.140 -3.018 2.905 1.00 51.40 H new ATOM 0 HG22 ILE A 36 0.617 -3.685 2.269 1.00 51.40 H new ATOM 0 HG23 ILE A 36 1.153 -4.102 3.914 1.00 51.40 H new ATOM 0 HD11 ILE A 36 4.078 -5.906 5.142 1.00 25.41 H new ATOM 0 HD12 ILE A 36 2.707 -4.777 5.027 1.00 25.41 H new ATOM 0 HD13 ILE A 36 2.465 -6.508 4.691 1.00 25.41 H new ATOM 511 N TYR A 37 -0.959 -6.190 2.793 1.00 12.13 N ATOM 512 CA TYR A 37 -2.334 -5.884 2.487 1.00 13.02 C ATOM 513 C TYR A 37 -2.609 -4.676 3.278 1.00 1.31 C ATOM 514 O TYR A 37 -1.993 -4.469 4.328 1.00 63.41 O ATOM 515 CB TYR A 37 -3.360 -6.953 3.000 1.00 60.44 C ATOM 516 CG TYR A 37 -3.535 -8.084 2.007 1.00 33.35 C ATOM 517 CD1 TYR A 37 -2.470 -8.557 1.184 1.00 2.40 C ATOM 518 CD2 TYR A 37 -4.807 -8.694 1.879 1.00 40.34 C ATOM 519 CE1 TYR A 37 -2.700 -9.582 0.249 1.00 63.45 C ATOM 520 CE2 TYR A 37 -5.032 -9.701 0.934 1.00 24.42 C ATOM 521 CZ TYR A 37 -3.985 -10.137 0.113 1.00 25.03 C ATOM 522 OH TYR A 37 -4.222 -11.122 -0.853 1.00 22.01 O ATOM 0 H TYR A 37 -0.805 -6.567 3.728 1.00 12.13 H new ATOM 0 HA TYR A 37 -2.447 -5.812 1.405 1.00 13.02 H new ATOM 0 HB2 TYR A 37 -3.019 -7.356 3.954 1.00 60.44 H new ATOM 0 HB3 TYR A 37 -4.323 -6.476 3.181 1.00 60.44 H new ATOM 0 HD1 TYR A 37 -1.484 -8.127 1.279 1.00 2.40 H new ATOM 0 HD2 TYR A 37 -5.616 -8.377 2.521 1.00 40.34 H new ATOM 0 HE1 TYR A 37 -1.889 -9.943 -0.365 1.00 63.45 H new ATOM 0 HE2 TYR A 37 -6.013 -10.142 0.838 1.00 24.42 H new ATOM 0 HH TYR A 37 -5.013 -10.881 -1.379 1.00 22.01 H new ATOM 532 N VAL A 38 -3.555 -3.850 2.825 1.00 61.31 N ATOM 533 CA VAL A 38 -3.954 -2.720 3.596 1.00 22.23 C ATOM 534 C VAL A 38 -4.979 -3.230 4.594 1.00 1.24 C ATOM 535 O VAL A 38 -6.124 -3.512 4.251 1.00 5.41 O ATOM 536 CB VAL A 38 -4.575 -1.632 2.737 1.00 35.44 C ATOM 537 CG1 VAL A 38 -4.989 -0.463 3.636 1.00 62.23 C ATOM 538 CG2 VAL A 38 -3.539 -1.227 1.660 1.00 41.15 C ATOM 0 H VAL A 38 -4.042 -3.959 1.935 1.00 61.31 H new ATOM 0 HA VAL A 38 -3.086 -2.274 4.082 1.00 22.23 H new ATOM 0 HB VAL A 38 -5.475 -1.976 2.228 1.00 35.44 H new ATOM 0 HG11 VAL A 38 -5.436 0.323 3.028 1.00 62.23 H new ATOM 0 HG12 VAL A 38 -5.715 -0.809 4.372 1.00 62.23 H new ATOM 0 HG13 VAL A 38 -4.111 -0.070 4.149 1.00 62.23 H new ATOM 0 HG21 VAL A 38 -3.959 -0.445 1.027 1.00 41.15 H new ATOM 0 HG22 VAL A 38 -2.636 -0.855 2.145 1.00 41.15 H new ATOM 0 HG23 VAL A 38 -3.291 -2.095 1.049 1.00 41.15 H new ATOM 548 N LYS A 39 -4.524 -3.409 5.851 1.00 0.45 N ATOM 549 CA LYS A 39 -5.371 -3.961 6.904 1.00 0.32 C ATOM 550 C LYS A 39 -6.398 -2.963 7.347 1.00 75.42 C ATOM 551 O LYS A 39 -7.482 -3.345 7.754 1.00 65.13 O ATOM 552 CB LYS A 39 -4.584 -4.435 8.164 1.00 64.24 C ATOM 553 CG LYS A 39 -5.427 -5.261 9.179 1.00 72.43 C ATOM 554 CD LYS A 39 -6.316 -6.375 8.563 1.00 62.40 C ATOM 555 CE LYS A 39 -7.350 -6.969 9.538 1.00 1.04 C ATOM 556 NZ LYS A 39 -6.705 -7.756 10.594 1.00 43.33 N ATOM 0 H LYS A 39 -3.577 -3.177 6.151 1.00 0.45 H new ATOM 0 HA LYS A 39 -5.843 -4.834 6.453 1.00 0.32 H new ATOM 0 HB2 LYS A 39 -3.735 -5.037 7.841 1.00 64.24 H new ATOM 0 HB3 LYS A 39 -4.179 -3.561 8.674 1.00 64.24 H new ATOM 0 HG2 LYS A 39 -4.749 -5.719 9.899 1.00 72.43 H new ATOM 0 HG3 LYS A 39 -6.067 -4.576 9.735 1.00 72.43 H new ATOM 0 HD2 LYS A 39 -6.840 -5.969 7.698 1.00 62.40 H new ATOM 0 HD3 LYS A 39 -5.674 -7.177 8.199 1.00 62.40 H new ATOM 0 HE2 LYS A 39 -7.932 -6.164 9.987 1.00 1.04 H new ATOM 0 HE3 LYS A 39 -8.049 -7.600 8.989 1.00 1.04 H new ATOM 0 HZ1 LYS A 39 -7.430 -8.141 11.232 1.00 43.33 H new ATOM 0 HZ2 LYS A 39 -6.170 -8.538 10.166 1.00 43.33 H new ATOM 0 HZ3 LYS A 39 -6.057 -7.148 11.134 1.00 43.33 H new ATOM 570 N ALA A 40 -6.093 -1.670 7.293 1.00 42.41 N ATOM 571 CA ALA A 40 -7.057 -0.709 7.757 1.00 52.03 C ATOM 572 C ALA A 40 -6.723 0.558 7.112 1.00 15.42 C ATOM 573 O ALA A 40 -5.550 0.852 6.886 1.00 32.43 O ATOM 574 CB ALA A 40 -7.045 -0.466 9.286 1.00 75.12 C ATOM 0 H ALA A 40 -5.216 -1.284 6.944 1.00 42.41 H new ATOM 0 HA ALA A 40 -8.046 -1.098 7.514 1.00 52.03 H new ATOM 0 HB1 ALA A 40 -7.804 0.273 9.543 1.00 75.12 H new ATOM 0 HB2 ALA A 40 -7.258 -1.401 9.805 1.00 75.12 H new ATOM 0 HB3 ALA A 40 -6.064 -0.099 9.588 1.00 75.12 H new ATOM 580 N VAL A 41 -7.756 1.347 6.791 1.00 14.31 N ATOM 581 CA VAL A 41 -7.561 2.642 6.250 1.00 62.40 C ATOM 582 C VAL A 41 -8.275 3.534 7.218 1.00 65.43 C ATOM 583 O VAL A 41 -9.399 3.226 7.620 1.00 64.32 O ATOM 584 CB VAL A 41 -8.225 2.816 4.873 1.00 63.42 C ATOM 585 CG1 VAL A 41 -7.744 4.139 4.246 1.00 43.14 C ATOM 586 CG2 VAL A 41 -7.885 1.594 3.999 1.00 22.30 C ATOM 0 H VAL A 41 -8.734 1.082 6.909 1.00 14.31 H new ATOM 0 HA VAL A 41 -6.500 2.850 6.115 1.00 62.40 H new ATOM 0 HB VAL A 41 -9.310 2.870 4.962 1.00 63.42 H new ATOM 0 HG11 VAL A 41 -8.210 4.270 3.269 1.00 43.14 H new ATOM 0 HG12 VAL A 41 -8.020 4.971 4.894 1.00 43.14 H new ATOM 0 HG13 VAL A 41 -6.660 4.114 4.130 1.00 43.14 H new ATOM 0 HG21 VAL A 41 -8.351 1.706 3.020 1.00 22.30 H new ATOM 0 HG22 VAL A 41 -6.804 1.521 3.881 1.00 22.30 H new ATOM 0 HG23 VAL A 41 -8.260 0.689 4.477 1.00 22.30 H new ATOM 596 N ILE A 42 -7.642 4.644 7.629 1.00 35.22 N ATOM 597 CA ILE A 42 -8.312 5.634 8.456 1.00 64.33 C ATOM 598 C ILE A 42 -9.254 6.390 7.540 1.00 61.32 C ATOM 599 O ILE A 42 -9.027 6.468 6.325 1.00 65.11 O ATOM 600 CB ILE A 42 -7.358 6.603 9.186 1.00 42.31 C ATOM 601 CG1 ILE A 42 -6.661 7.635 8.245 1.00 63.15 C ATOM 602 CG2 ILE A 42 -6.373 5.751 9.999 1.00 15.00 C ATOM 603 CD1 ILE A 42 -5.832 7.010 7.143 1.00 13.21 C ATOM 0 H ILE A 42 -6.674 4.869 7.399 1.00 35.22 H new ATOM 0 HA ILE A 42 -8.838 5.122 9.261 1.00 64.33 H new ATOM 0 HB ILE A 42 -7.934 7.242 9.855 1.00 42.31 H new ATOM 0 HG12 ILE A 42 -7.423 8.271 7.795 1.00 63.15 H new ATOM 0 HG13 ILE A 42 -6.020 8.281 8.845 1.00 63.15 H new ATOM 0 HG21 ILE A 42 -5.680 6.403 10.531 1.00 15.00 H new ATOM 0 HG22 ILE A 42 -6.924 5.144 10.718 1.00 15.00 H new ATOM 0 HG23 ILE A 42 -5.814 5.100 9.327 1.00 15.00 H new ATOM 0 HD11 ILE A 42 -5.383 7.796 6.535 1.00 13.21 H new ATOM 0 HD12 ILE A 42 -5.045 6.397 7.583 1.00 13.21 H new ATOM 0 HD13 ILE A 42 -6.470 6.387 6.516 1.00 13.21 H new ATOM 615 N PRO A 43 -10.361 6.914 8.083 1.00 33.40 N ATOM 616 CA PRO A 43 -11.340 7.576 7.268 1.00 14.24 C ATOM 617 C PRO A 43 -10.776 8.883 6.956 1.00 74.31 C ATOM 618 O PRO A 43 -9.795 9.287 7.614 1.00 35.41 O ATOM 619 CB PRO A 43 -12.516 7.797 8.197 1.00 45.22 C ATOM 620 CG PRO A 43 -11.818 8.062 9.516 1.00 60.02 C ATOM 621 CD PRO A 43 -10.701 6.988 9.511 1.00 24.20 C ATOM 0 HA PRO A 43 -11.614 7.032 6.364 1.00 14.24 H new ATOM 0 HB2 PRO A 43 -13.133 8.639 7.884 1.00 45.22 H new ATOM 0 HB3 PRO A 43 -13.168 6.925 8.247 1.00 45.22 H new ATOM 0 HG2 PRO A 43 -11.412 9.072 9.567 1.00 60.02 H new ATOM 0 HG3 PRO A 43 -12.492 7.946 10.365 1.00 60.02 H new ATOM 0 HD2 PRO A 43 -9.847 7.284 10.120 1.00 24.20 H new ATOM 0 HD3 PRO A 43 -11.052 6.031 9.898 1.00 24.20 H new ATOM 629 N GLN A 44 -11.370 9.592 6.014 1.00 4.01 N ATOM 630 CA GLN A 44 -11.069 10.985 5.815 1.00 21.31 C ATOM 631 C GLN A 44 -9.646 11.144 5.282 1.00 21.42 C ATOM 632 O GLN A 44 -9.175 12.253 5.039 1.00 73.04 O ATOM 633 CB GLN A 44 -11.311 11.824 7.112 1.00 31.32 C ATOM 634 CG GLN A 44 -12.803 12.023 7.397 1.00 65.53 C ATOM 635 CD GLN A 44 -12.933 12.799 8.692 1.00 32.53 C ATOM 636 OE1 GLN A 44 -12.920 12.214 9.784 1.00 41.15 O ATOM 637 NE2 GLN A 44 -13.052 14.131 8.589 1.00 34.42 N ATOM 0 H GLN A 44 -12.069 9.216 5.373 1.00 4.01 H new ATOM 0 HA GLN A 44 -11.755 11.381 5.066 1.00 21.31 H new ATOM 0 HB2 GLN A 44 -10.844 11.323 7.960 1.00 31.32 H new ATOM 0 HB3 GLN A 44 -10.829 12.796 7.010 1.00 31.32 H new ATOM 0 HG2 GLN A 44 -13.278 12.564 6.579 1.00 65.53 H new ATOM 0 HG3 GLN A 44 -13.307 11.060 7.477 1.00 65.53 H new ATOM 0 HE21 GLN A 44 -13.058 14.573 7.670 1.00 34.42 H new ATOM 0 HE22 GLN A 44 -13.136 14.702 9.430 1.00 34.42 H new ATOM 646 N GLY A 45 -8.954 10.017 5.055 1.00 2.33 N ATOM 647 CA GLY A 45 -7.584 10.049 4.625 1.00 43.10 C ATOM 648 C GLY A 45 -7.581 10.095 3.154 1.00 72.32 C ATOM 649 O GLY A 45 -8.622 9.992 2.521 1.00 41.25 O ATOM 0 H GLY A 45 -9.339 9.079 5.168 1.00 2.33 H new ATOM 0 HA2 GLY A 45 -7.074 10.920 5.036 1.00 43.10 H new ATOM 0 HA3 GLY A 45 -7.050 9.168 4.982 1.00 43.10 H new ATOM 653 N ALA A 46 -6.383 10.233 2.575 1.00 52.25 N ATOM 654 CA ALA A 46 -6.234 10.344 1.137 1.00 1.52 C ATOM 655 C ALA A 46 -6.607 9.023 0.547 1.00 64.01 C ATOM 656 O ALA A 46 -7.405 8.952 -0.353 1.00 4.22 O ATOM 657 CB ALA A 46 -4.803 10.659 0.700 1.00 35.31 C ATOM 0 H ALA A 46 -5.504 10.270 3.091 1.00 52.25 H new ATOM 0 HA ALA A 46 -6.868 11.164 0.799 1.00 1.52 H new ATOM 0 HB1 ALA A 46 -4.761 10.728 -0.387 1.00 35.31 H new ATOM 0 HB2 ALA A 46 -4.490 11.607 1.136 1.00 35.31 H new ATOM 0 HB3 ALA A 46 -4.136 9.866 1.039 1.00 35.31 H new ATOM 663 N ALA A 47 -6.038 7.935 1.117 1.00 62.41 N ATOM 664 CA ALA A 47 -6.272 6.582 0.614 1.00 43.34 C ATOM 665 C ALA A 47 -7.767 6.312 0.521 1.00 34.41 C ATOM 666 O ALA A 47 -8.254 5.907 -0.531 1.00 71.23 O ATOM 667 CB ALA A 47 -5.658 5.510 1.536 1.00 73.44 C ATOM 0 H ALA A 47 -5.416 7.979 1.924 1.00 62.41 H new ATOM 0 HA ALA A 47 -5.800 6.524 -0.367 1.00 43.34 H new ATOM 0 HB1 ALA A 47 -5.855 4.520 1.125 1.00 73.44 H new ATOM 0 HB2 ALA A 47 -4.581 5.665 1.608 1.00 73.44 H new ATOM 0 HB3 ALA A 47 -6.102 5.586 2.528 1.00 73.44 H new ATOM 673 N GLU A 48 -8.528 6.585 1.611 1.00 32.24 N ATOM 674 CA GLU A 48 -9.975 6.398 1.577 1.00 12.24 C ATOM 675 C GLU A 48 -10.601 7.366 0.584 1.00 13.41 C ATOM 676 O GLU A 48 -11.349 6.956 -0.291 1.00 43.31 O ATOM 677 CB GLU A 48 -10.664 6.640 2.964 1.00 51.41 C ATOM 678 CG GLU A 48 -12.164 6.972 2.834 1.00 43.31 C ATOM 679 CD GLU A 48 -12.790 7.045 4.166 1.00 71.24 C ATOM 680 OE1 GLU A 48 -12.949 5.993 4.808 1.00 74.24 O ATOM 681 OE2 GLU A 48 -13.148 8.177 4.579 1.00 62.00 O ATOM 0 H GLU A 48 -8.161 6.927 2.499 1.00 32.24 H new ATOM 0 HA GLU A 48 -10.134 5.359 1.288 1.00 12.24 H new ATOM 0 HB2 GLU A 48 -10.545 5.751 3.584 1.00 51.41 H new ATOM 0 HB3 GLU A 48 -10.159 7.457 3.478 1.00 51.41 H new ATOM 0 HG2 GLU A 48 -12.289 7.921 2.314 1.00 43.31 H new ATOM 0 HG3 GLU A 48 -12.661 6.211 2.233 1.00 43.31 H new ATOM 688 N SER A 49 -10.354 8.679 0.767 1.00 1.11 N ATOM 689 CA SER A 49 -11.129 9.719 0.076 1.00 11.13 C ATOM 690 C SER A 49 -10.888 9.656 -1.418 1.00 70.34 C ATOM 691 O SER A 49 -11.764 9.998 -2.216 1.00 32.53 O ATOM 692 CB SER A 49 -10.790 11.146 0.579 1.00 24.41 C ATOM 693 OG SER A 49 -10.911 11.204 2.022 1.00 1.12 O ATOM 0 H SER A 49 -9.627 9.039 1.385 1.00 1.11 H new ATOM 0 HA SER A 49 -12.178 9.521 0.298 1.00 11.13 H new ATOM 0 HB2 SER A 49 -9.777 11.415 0.280 1.00 24.41 H new ATOM 0 HB3 SER A 49 -11.462 11.872 0.120 1.00 24.41 H new ATOM 0 HG SER A 49 -10.288 10.566 2.428 1.00 1.12 H new ATOM 699 N ASP A 50 -9.701 9.193 -1.817 1.00 61.45 N ATOM 700 CA ASP A 50 -9.359 9.144 -3.226 1.00 41.13 C ATOM 701 C ASP A 50 -9.957 7.868 -3.776 1.00 64.31 C ATOM 702 O ASP A 50 -10.406 7.813 -4.903 1.00 12.41 O ATOM 703 CB ASP A 50 -7.839 9.147 -3.499 1.00 34.33 C ATOM 704 CG ASP A 50 -7.582 9.601 -4.935 1.00 62.42 C ATOM 705 OD1 ASP A 50 -8.538 9.983 -5.634 1.00 32.23 O ATOM 706 OD2 ASP A 50 -6.410 9.621 -5.358 1.00 43.03 O ATOM 0 H ASP A 50 -8.974 8.852 -1.188 1.00 61.45 H new ATOM 0 HA ASP A 50 -9.751 10.041 -3.705 1.00 41.13 H new ATOM 0 HB2 ASP A 50 -7.334 9.813 -2.799 1.00 34.33 H new ATOM 0 HB3 ASP A 50 -7.428 8.150 -3.342 1.00 34.33 H new ATOM 711 N GLY A 51 -10.046 6.822 -2.925 1.00 0.01 N ATOM 712 CA GLY A 51 -10.791 5.623 -3.277 1.00 31.53 C ATOM 713 C GLY A 51 -9.952 4.689 -4.086 1.00 2.13 C ATOM 714 O GLY A 51 -10.477 3.774 -4.710 1.00 54.10 O ATOM 0 H GLY A 51 -9.612 6.796 -2.002 1.00 0.01 H new ATOM 0 HA2 GLY A 51 -11.129 5.121 -2.370 1.00 31.53 H new ATOM 0 HA3 GLY A 51 -11.683 5.897 -3.841 1.00 31.53 H new ATOM 718 N ARG A 52 -8.613 4.862 -4.088 1.00 70.21 N ATOM 719 CA ARG A 52 -7.771 3.974 -4.873 1.00 53.54 C ATOM 720 C ARG A 52 -7.361 2.843 -3.987 1.00 51.33 C ATOM 721 O ARG A 52 -6.555 2.003 -4.374 1.00 21.43 O ATOM 722 CB ARG A 52 -6.471 4.644 -5.370 1.00 34.12 C ATOM 723 CG ARG A 52 -6.653 5.814 -6.360 1.00 55.44 C ATOM 724 CD ARG A 52 -7.158 5.406 -7.771 1.00 52.31 C ATOM 725 NE ARG A 52 -8.628 5.067 -7.693 1.00 15.53 N ATOM 726 CZ ARG A 52 -9.594 6.060 -7.670 1.00 1.32 C ATOM 727 NH1 ARG A 52 -9.234 7.371 -7.766 1.00 54.41 N ATOM 728 NH2 ARG A 52 -10.907 5.731 -7.541 1.00 33.32 N ATOM 0 H ARG A 52 -8.117 5.587 -3.569 1.00 70.21 H new ATOM 0 HA ARG A 52 -8.348 3.665 -5.745 1.00 53.54 H new ATOM 0 HB2 ARG A 52 -5.919 5.009 -4.504 1.00 34.12 H new ATOM 0 HB3 ARG A 52 -5.852 3.884 -5.846 1.00 34.12 H new ATOM 0 HG2 ARG A 52 -7.356 6.527 -5.931 1.00 55.44 H new ATOM 0 HG3 ARG A 52 -5.700 6.331 -6.467 1.00 55.44 H new ATOM 0 HD2 ARG A 52 -6.997 6.220 -8.478 1.00 52.31 H new ATOM 0 HD3 ARG A 52 -6.594 4.549 -8.139 1.00 52.31 H new ATOM 0 HE ARG A 52 -8.915 4.089 -7.657 1.00 15.53 H new ATOM 0 HH11 ARG A 52 -8.250 7.624 -7.855 1.00 54.41 H new ATOM 0 HH12 ARG A 52 -9.949 8.099 -7.749 1.00 54.41 H new ATOM 0 HH21 ARG A 52 -11.182 4.752 -7.461 1.00 33.32 H new ATOM 0 HH22 ARG A 52 -11.617 6.463 -7.524 1.00 33.32 H new ATOM 742 N ILE A 53 -7.903 2.796 -2.770 1.00 72.43 N ATOM 743 CA ILE A 53 -7.448 1.878 -1.792 1.00 30.22 C ATOM 744 C ILE A 53 -8.680 1.502 -1.044 1.00 30.20 C ATOM 745 O ILE A 53 -9.583 2.311 -0.858 1.00 42.31 O ATOM 746 CB ILE A 53 -6.390 2.483 -0.837 1.00 63.51 C ATOM 747 CG1 ILE A 53 -5.048 2.617 -1.577 1.00 3.42 C ATOM 748 CG2 ILE A 53 -6.233 1.624 0.435 1.00 32.32 C ATOM 749 CD1 ILE A 53 -4.005 3.447 -0.842 1.00 71.30 C ATOM 0 H ILE A 53 -8.664 3.400 -2.461 1.00 72.43 H new ATOM 0 HA ILE A 53 -6.946 1.029 -2.255 1.00 30.22 H new ATOM 0 HB ILE A 53 -6.724 3.472 -0.523 1.00 63.51 H new ATOM 0 HG12 ILE A 53 -4.643 1.620 -1.753 1.00 3.42 H new ATOM 0 HG13 ILE A 53 -5.229 3.065 -2.554 1.00 3.42 H new ATOM 0 HG21 ILE A 53 -5.484 2.073 1.087 1.00 32.32 H new ATOM 0 HG22 ILE A 53 -7.187 1.573 0.960 1.00 32.32 H new ATOM 0 HG23 ILE A 53 -5.917 0.618 0.158 1.00 32.32 H new ATOM 0 HD11 ILE A 53 -3.091 3.490 -1.434 1.00 71.30 H new ATOM 0 HD12 ILE A 53 -4.386 4.457 -0.689 1.00 71.30 H new ATOM 0 HD13 ILE A 53 -3.791 2.990 0.124 1.00 71.30 H new ATOM 761 N HIS A 54 -8.719 0.247 -0.629 1.00 14.21 N ATOM 762 CA HIS A 54 -9.725 -0.243 0.217 1.00 1.21 C ATOM 763 C HIS A 54 -9.008 -1.287 0.967 1.00 73.42 C ATOM 764 O HIS A 54 -7.872 -1.630 0.599 1.00 1.43 O ATOM 765 CB HIS A 54 -10.930 -0.879 -0.510 1.00 12.21 C ATOM 766 CG HIS A 54 -10.593 -2.126 -1.269 1.00 31.03 C ATOM 767 ND1 HIS A 54 -10.803 -3.391 -0.929 1.00 42.15 N flip ATOM 768 CD2 HIS A 54 -9.914 -2.129 -2.454 1.00 23.34 C flip ATOM 769 CE1 HIS A 54 -10.262 -4.179 -1.889 1.00 53.13 C flip ATOM 770 NE2 HIS A 54 -9.734 -3.401 -2.811 1.00 61.45 N flip ATOM 0 H HIS A 54 -8.025 -0.452 -0.892 1.00 14.21 H new ATOM 0 HA HIS A 54 -10.167 0.561 0.805 1.00 1.21 H new ATOM 0 HB2 HIS A 54 -11.703 -1.109 0.223 1.00 12.21 H new ATOM 0 HB3 HIS A 54 -11.352 -0.148 -1.200 1.00 12.21 H new ATOM 0 HD1 HIS A 54 -11.287 -3.714 -0.091 1.00 42.15 H new ATOM 0 HD2 HIS A 54 -9.583 -1.259 -3.002 1.00 23.34 H new ATOM 0 HE1 HIS A 54 -10.263 -5.259 -1.897 1.00 53.13 H new ATOM 0 HE2 HIS A 54 -9.265 -3.719 -3.659 1.00 61.45 H new ATOM 779 N LYS A 55 -9.601 -1.814 2.043 1.00 4.34 N ATOM 780 CA LYS A 55 -8.917 -2.826 2.816 1.00 3.32 C ATOM 781 C LYS A 55 -8.782 -4.055 1.960 1.00 41.35 C ATOM 782 O LYS A 55 -9.667 -4.373 1.196 1.00 2.35 O ATOM 783 CB LYS A 55 -9.635 -3.231 4.119 1.00 25.42 C ATOM 784 CG LYS A 55 -10.017 -2.034 4.998 1.00 13.04 C ATOM 785 CD LYS A 55 -10.466 -2.418 6.413 1.00 75.22 C ATOM 786 CE LYS A 55 -11.606 -3.454 6.475 1.00 32.43 C ATOM 787 NZ LYS A 55 -11.936 -3.758 7.881 1.00 12.14 N ATOM 0 H LYS A 55 -10.528 -1.558 2.383 1.00 4.34 H new ATOM 0 HA LYS A 55 -7.958 -2.397 3.108 1.00 3.32 H new ATOM 0 HB2 LYS A 55 -10.536 -3.792 3.870 1.00 25.42 H new ATOM 0 HB3 LYS A 55 -8.990 -3.900 4.688 1.00 25.42 H new ATOM 0 HG2 LYS A 55 -9.163 -1.361 5.069 1.00 13.04 H new ATOM 0 HG3 LYS A 55 -10.819 -1.480 4.511 1.00 13.04 H new ATOM 0 HD2 LYS A 55 -9.607 -2.812 6.956 1.00 75.22 H new ATOM 0 HD3 LYS A 55 -10.786 -1.516 6.934 1.00 75.22 H new ATOM 0 HE2 LYS A 55 -12.487 -3.069 5.961 1.00 32.43 H new ATOM 0 HE3 LYS A 55 -11.308 -4.366 5.957 1.00 32.43 H new ATOM 0 HZ1 LYS A 55 -12.705 -4.457 7.914 1.00 12.14 H new ATOM 0 HZ2 LYS A 55 -11.097 -4.144 8.359 1.00 12.14 H new ATOM 0 HZ3 LYS A 55 -12.239 -2.887 8.363 1.00 12.14 H new ATOM 801 N GLY A 56 -7.679 -4.768 2.092 1.00 54.42 N ATOM 802 CA GLY A 56 -7.536 -6.023 1.381 1.00 5.32 C ATOM 803 C GLY A 56 -6.659 -5.857 0.178 1.00 32.34 C ATOM 804 O GLY A 56 -5.955 -6.789 -0.175 1.00 21.22 O ATOM 0 H GLY A 56 -6.883 -4.506 2.674 1.00 54.42 H new ATOM 0 HA2 GLY A 56 -7.111 -6.776 2.045 1.00 5.32 H new ATOM 0 HA3 GLY A 56 -8.517 -6.386 1.074 1.00 5.32 H new ATOM 808 N ASP A 57 -6.654 -4.662 -0.508 1.00 2.42 N ATOM 809 CA ASP A 57 -5.759 -4.512 -1.685 1.00 72.43 C ATOM 810 C ASP A 57 -4.341 -4.550 -1.193 1.00 51.51 C ATOM 811 O ASP A 57 -4.063 -4.301 -0.009 1.00 52.03 O ATOM 812 CB ASP A 57 -5.952 -3.233 -2.580 1.00 21.23 C ATOM 813 CG ASP A 57 -7.003 -3.493 -3.677 1.00 1.10 C ATOM 814 OD1 ASP A 57 -7.509 -4.638 -3.810 1.00 40.51 O ATOM 815 OD2 ASP A 57 -7.346 -2.534 -4.422 1.00 53.11 O ATOM 0 H ASP A 57 -7.223 -3.847 -0.278 1.00 2.42 H new ATOM 0 HA ASP A 57 -6.023 -5.337 -2.347 1.00 72.43 H new ATOM 0 HB2 ASP A 57 -6.265 -2.393 -1.960 1.00 21.23 H new ATOM 0 HB3 ASP A 57 -5.002 -2.955 -3.037 1.00 21.23 H new ATOM 820 N ARG A 58 -3.435 -4.957 -2.093 1.00 31.22 N ATOM 821 CA ARG A 58 -2.115 -5.370 -1.717 1.00 35.54 C ATOM 822 C ARG A 58 -1.157 -4.374 -2.307 1.00 32.54 C ATOM 823 O ARG A 58 -1.316 -3.960 -3.431 1.00 40.02 O ATOM 824 CB ARG A 58 -1.820 -6.813 -2.270 1.00 12.24 C ATOM 825 CG ARG A 58 -0.414 -7.380 -2.035 1.00 5.31 C ATOM 826 CD ARG A 58 0.617 -6.984 -3.111 1.00 12.12 C ATOM 827 NE ARG A 58 1.954 -7.523 -2.691 1.00 65.04 N ATOM 828 CZ ARG A 58 2.413 -8.752 -3.139 1.00 2.43 C ATOM 829 NH1 ARG A 58 1.664 -9.494 -4.009 1.00 55.33 N ATOM 830 NH2 ARG A 58 3.619 -9.227 -2.701 1.00 74.35 N ATOM 0 H ARG A 58 -3.616 -5.002 -3.096 1.00 31.22 H new ATOM 0 HA ARG A 58 -2.012 -5.406 -0.633 1.00 35.54 H new ATOM 0 HB2 ARG A 58 -2.540 -7.499 -1.824 1.00 12.24 H new ATOM 0 HB3 ARG A 58 -2.007 -6.808 -3.344 1.00 12.24 H new ATOM 0 HG2 ARG A 58 -0.056 -7.041 -1.063 1.00 5.31 H new ATOM 0 HG3 ARG A 58 -0.476 -8.467 -1.990 1.00 5.31 H new ATOM 0 HD2 ARG A 58 0.330 -7.389 -4.081 1.00 12.12 H new ATOM 0 HD3 ARG A 58 0.659 -5.900 -3.218 1.00 12.12 H new ATOM 0 HE ARG A 58 2.538 -6.972 -2.062 1.00 65.04 H new ATOM 0 HH11 ARG A 58 0.762 -9.144 -4.332 1.00 55.33 H new ATOM 0 HH12 ARG A 58 2.007 -10.398 -4.335 1.00 55.33 H new ATOM 0 HH21 ARG A 58 4.177 -8.677 -2.047 1.00 74.35 H new ATOM 0 HH22 ARG A 58 3.960 -10.131 -3.028 1.00 74.35 H new ATOM 844 N VAL A 59 -0.132 -3.958 -1.526 1.00 40.41 N ATOM 845 CA VAL A 59 0.859 -3.012 -1.999 1.00 24.14 C ATOM 846 C VAL A 59 1.998 -3.825 -2.541 1.00 64.13 C ATOM 847 O VAL A 59 2.494 -4.747 -1.870 1.00 70.44 O ATOM 848 CB VAL A 59 1.393 -2.097 -0.905 1.00 13.32 C ATOM 849 CG1 VAL A 59 2.257 -0.992 -1.563 1.00 20.01 C ATOM 850 CG2 VAL A 59 0.190 -1.538 -0.111 1.00 51.45 C ATOM 0 H VAL A 59 0.014 -4.274 -0.567 1.00 40.41 H new ATOM 0 HA VAL A 59 0.395 -2.365 -2.744 1.00 24.14 H new ATOM 0 HB VAL A 59 2.033 -2.628 -0.200 1.00 13.32 H new ATOM 0 HG11 VAL A 59 2.647 -0.328 -0.792 1.00 20.01 H new ATOM 0 HG12 VAL A 59 3.087 -1.451 -2.101 1.00 20.01 H new ATOM 0 HG13 VAL A 59 1.646 -0.419 -2.260 1.00 20.01 H new ATOM 0 HG21 VAL A 59 0.550 -0.879 0.679 1.00 51.45 H new ATOM 0 HG22 VAL A 59 -0.460 -0.978 -0.783 1.00 51.45 H new ATOM 0 HG23 VAL A 59 -0.369 -2.363 0.331 1.00 51.45 H new ATOM 860 N LEU A 60 2.399 -3.543 -3.786 1.00 23.51 N ATOM 861 CA LEU A 60 3.449 -4.305 -4.436 1.00 72.04 C ATOM 862 C LEU A 60 4.728 -3.587 -4.234 1.00 55.33 C ATOM 863 O LEU A 60 5.661 -4.135 -3.671 1.00 21.15 O ATOM 864 CB LEU A 60 3.251 -4.366 -5.956 1.00 42.12 C ATOM 865 CG LEU A 60 2.146 -5.301 -6.404 1.00 53.30 C ATOM 866 CD1 LEU A 60 1.584 -4.866 -7.730 1.00 50.41 C ATOM 867 CD2 LEU A 60 2.585 -6.769 -6.441 1.00 42.43 C ATOM 0 H LEU A 60 2.008 -2.792 -4.355 1.00 23.51 H new ATOM 0 HA LEU A 60 3.437 -5.310 -4.015 1.00 72.04 H new ATOM 0 HB2 LEU A 60 3.033 -3.363 -6.323 1.00 42.12 H new ATOM 0 HB3 LEU A 60 4.186 -4.679 -6.420 1.00 42.12 H new ATOM 0 HG LEU A 60 1.357 -5.238 -5.655 1.00 53.30 H new ATOM 0 HD11 LEU A 60 0.792 -5.552 -8.032 1.00 50.41 H new ATOM 0 HD12 LEU A 60 1.177 -3.859 -7.640 1.00 50.41 H new ATOM 0 HD13 LEU A 60 2.375 -4.872 -8.480 1.00 50.41 H new ATOM 0 HD21 LEU A 60 1.751 -7.390 -6.769 1.00 42.43 H new ATOM 0 HD22 LEU A 60 3.417 -6.882 -7.136 1.00 42.43 H new ATOM 0 HD23 LEU A 60 2.899 -7.080 -5.445 1.00 42.43 H new ATOM 879 N ALA A 61 4.813 -2.331 -4.716 1.00 11.42 N ATOM 880 CA ALA A 61 6.050 -1.601 -4.624 1.00 20.10 C ATOM 881 C ALA A 61 5.695 -0.244 -4.193 1.00 11.51 C ATOM 882 O ALA A 61 4.618 0.242 -4.518 1.00 64.44 O ATOM 883 CB ALA A 61 6.788 -1.467 -5.979 1.00 64.12 C ATOM 0 H ALA A 61 4.046 -1.827 -5.161 1.00 11.42 H new ATOM 0 HA ALA A 61 6.711 -2.135 -3.941 1.00 20.10 H new ATOM 0 HB1 ALA A 61 7.712 -0.906 -5.836 1.00 64.12 H new ATOM 0 HB2 ALA A 61 7.022 -2.459 -6.366 1.00 64.12 H new ATOM 0 HB3 ALA A 61 6.151 -0.942 -6.690 1.00 64.12 H new ATOM 889 N VAL A 62 6.595 0.405 -3.440 1.00 74.34 N ATOM 890 CA VAL A 62 6.365 1.740 -2.987 1.00 51.30 C ATOM 891 C VAL A 62 7.475 2.560 -3.554 1.00 31.44 C ATOM 892 O VAL A 62 8.637 2.321 -3.275 1.00 74.25 O ATOM 893 CB VAL A 62 6.389 1.875 -1.476 1.00 12.42 C ATOM 894 CG1 VAL A 62 6.183 3.362 -1.090 1.00 33.21 C ATOM 895 CG2 VAL A 62 5.302 0.950 -0.900 1.00 23.44 C ATOM 0 H VAL A 62 7.485 0.005 -3.143 1.00 74.34 H new ATOM 0 HA VAL A 62 5.374 2.059 -3.309 1.00 51.30 H new ATOM 0 HB VAL A 62 7.349 1.573 -1.058 1.00 12.42 H new ATOM 0 HG11 VAL A 62 6.200 3.462 -0.005 1.00 33.21 H new ATOM 0 HG12 VAL A 62 6.982 3.964 -1.522 1.00 33.21 H new ATOM 0 HG13 VAL A 62 5.222 3.707 -1.471 1.00 33.21 H new ATOM 0 HG21 VAL A 62 5.297 1.027 0.187 1.00 23.44 H new ATOM 0 HG22 VAL A 62 4.328 1.247 -1.289 1.00 23.44 H new ATOM 0 HG23 VAL A 62 5.510 -0.080 -1.189 1.00 23.44 H new ATOM 905 N ASN A 63 7.094 3.556 -4.368 1.00 14.35 N ATOM 906 CA ASN A 63 8.008 4.520 -4.994 1.00 64.03 C ATOM 907 C ASN A 63 9.171 3.790 -5.665 1.00 71.43 C ATOM 908 O ASN A 63 10.305 4.251 -5.679 1.00 4.44 O ATOM 909 CB ASN A 63 8.528 5.617 -4.020 1.00 33.25 C ATOM 910 CG ASN A 63 9.123 6.780 -4.827 1.00 62.14 C ATOM 911 OD1 ASN A 63 8.405 7.468 -5.563 1.00 12.13 O ATOM 912 ND2 ASN A 63 10.440 7.013 -4.691 1.00 65.43 N ATOM 0 H ASN A 63 6.117 3.716 -4.614 1.00 14.35 H new ATOM 0 HA ASN A 63 7.426 5.049 -5.749 1.00 64.03 H new ATOM 0 HB2 ASN A 63 7.713 5.976 -3.392 1.00 33.25 H new ATOM 0 HB3 ASN A 63 9.283 5.199 -3.354 1.00 33.25 H new ATOM 0 HD21 ASN A 63 10.878 7.778 -5.204 1.00 65.43 H new ATOM 0 HD22 ASN A 63 11.001 6.425 -4.075 1.00 65.43 H new ATOM 919 N GLY A 64 8.863 2.640 -6.275 1.00 63.14 N ATOM 920 CA GLY A 64 9.812 1.946 -7.095 1.00 3.53 C ATOM 921 C GLY A 64 10.314 0.791 -6.339 1.00 51.51 C ATOM 922 O GLY A 64 10.632 -0.250 -6.922 1.00 1.55 O ATOM 0 H GLY A 64 7.954 2.183 -6.204 1.00 63.14 H new ATOM 0 HA2 GLY A 64 9.344 1.618 -8.023 1.00 3.53 H new ATOM 0 HA3 GLY A 64 10.634 2.608 -7.368 1.00 3.53 H new ATOM 926 N VAL A 65 10.428 0.927 -5.008 1.00 61.43 N ATOM 927 CA VAL A 65 11.032 -0.057 -4.216 1.00 52.20 C ATOM 928 C VAL A 65 10.067 -1.200 -4.091 1.00 12.24 C ATOM 929 O VAL A 65 8.987 -1.058 -3.508 1.00 35.14 O ATOM 930 CB VAL A 65 11.337 0.506 -2.835 1.00 52.11 C ATOM 931 CG1 VAL A 65 11.770 -0.607 -1.903 1.00 12.31 C ATOM 932 CG2 VAL A 65 12.394 1.626 -2.994 1.00 35.02 C ATOM 0 H VAL A 65 10.091 1.737 -4.488 1.00 61.43 H new ATOM 0 HA VAL A 65 11.966 -0.389 -4.670 1.00 52.20 H new ATOM 0 HB VAL A 65 10.450 0.946 -2.379 1.00 52.11 H new ATOM 0 HG11 VAL A 65 11.986 -0.193 -0.918 1.00 12.31 H new ATOM 0 HG12 VAL A 65 10.971 -1.344 -1.820 1.00 12.31 H new ATOM 0 HG13 VAL A 65 12.665 -1.086 -2.299 1.00 12.31 H new ATOM 0 HG21 VAL A 65 12.629 2.046 -2.016 1.00 35.02 H new ATOM 0 HG22 VAL A 65 13.299 1.212 -3.438 1.00 35.02 H new ATOM 0 HG23 VAL A 65 11.999 2.410 -3.640 1.00 35.02 H new ATOM 942 N SER A 66 10.460 -2.368 -4.656 1.00 53.33 N ATOM 943 CA SER A 66 9.716 -3.603 -4.513 1.00 55.52 C ATOM 944 C SER A 66 9.512 -3.854 -3.042 1.00 43.23 C ATOM 945 O SER A 66 10.464 -3.950 -2.279 1.00 42.41 O ATOM 946 CB SER A 66 10.442 -4.814 -5.127 1.00 3.02 C ATOM 947 OG SER A 66 10.799 -4.528 -6.487 1.00 12.24 O ATOM 0 H SER A 66 11.305 -2.460 -5.220 1.00 53.33 H new ATOM 0 HA SER A 66 8.772 -3.491 -5.046 1.00 55.52 H new ATOM 0 HB2 SER A 66 11.336 -5.046 -4.548 1.00 3.02 H new ATOM 0 HB3 SER A 66 9.799 -5.693 -5.087 1.00 3.02 H new ATOM 0 HG SER A 66 11.262 -5.301 -6.873 1.00 12.24 H new ATOM 953 N LEU A 67 8.243 -3.871 -2.619 1.00 10.21 N ATOM 954 CA LEU A 67 7.895 -3.862 -1.226 1.00 4.04 C ATOM 955 C LEU A 67 7.586 -5.273 -0.891 1.00 51.24 C ATOM 956 O LEU A 67 7.485 -5.653 0.245 1.00 31.03 O ATOM 957 CB LEU A 67 6.629 -2.983 -1.005 1.00 32.14 C ATOM 958 CG LEU A 67 6.397 -2.429 0.405 1.00 53.44 C ATOM 959 CD1 LEU A 67 5.564 -3.357 1.288 1.00 22.54 C ATOM 960 CD2 LEU A 67 7.678 -1.880 1.070 1.00 61.14 C ATOM 0 H LEU A 67 7.440 -3.891 -3.247 1.00 10.21 H new ATOM 0 HA LEU A 67 8.696 -3.458 -0.607 1.00 4.04 H new ATOM 0 HB2 LEU A 67 6.678 -2.140 -1.695 1.00 32.14 H new ATOM 0 HB3 LEU A 67 5.756 -3.573 -1.284 1.00 32.14 H new ATOM 0 HG LEU A 67 5.770 -1.547 0.278 1.00 53.44 H new ATOM 0 HD11 LEU A 67 5.437 -2.906 2.272 1.00 22.54 H new ATOM 0 HD12 LEU A 67 4.587 -3.513 0.831 1.00 22.54 H new ATOM 0 HD13 LEU A 67 6.073 -4.315 1.391 1.00 22.54 H new ATOM 0 HD21 LEU A 67 7.439 -1.505 2.065 1.00 61.14 H new ATOM 0 HD22 LEU A 67 8.417 -2.678 1.151 1.00 61.14 H new ATOM 0 HD23 LEU A 67 8.084 -1.070 0.464 1.00 61.14 H new ATOM 972 N GLU A 68 7.485 -6.110 -1.935 1.00 45.42 N ATOM 973 CA GLU A 68 7.333 -7.526 -1.784 1.00 0.34 C ATOM 974 C GLU A 68 8.486 -8.032 -0.930 1.00 70.25 C ATOM 975 O GLU A 68 9.633 -7.581 -1.084 1.00 13.32 O ATOM 976 CB GLU A 68 7.404 -8.242 -3.152 1.00 0.11 C ATOM 977 CG GLU A 68 6.432 -7.668 -4.207 1.00 14.45 C ATOM 978 CD GLU A 68 6.655 -8.411 -5.505 1.00 65.40 C ATOM 979 OE1 GLU A 68 6.391 -9.635 -5.554 1.00 2.15 O ATOM 980 OE2 GLU A 68 7.106 -7.789 -6.480 1.00 53.53 O ATOM 0 H GLU A 68 7.509 -5.799 -2.906 1.00 45.42 H new ATOM 0 HA GLU A 68 6.365 -7.731 -1.327 1.00 0.34 H new ATOM 0 HB2 GLU A 68 8.422 -8.174 -3.535 1.00 0.11 H new ATOM 0 HB3 GLU A 68 7.187 -9.301 -3.009 1.00 0.11 H new ATOM 0 HG2 GLU A 68 5.400 -7.782 -3.876 1.00 14.45 H new ATOM 0 HG3 GLU A 68 6.606 -6.601 -4.344 1.00 14.45 H new ATOM 987 N GLY A 69 8.193 -8.932 0.020 1.00 53.24 N ATOM 988 CA GLY A 69 9.223 -9.480 0.893 1.00 74.41 C ATOM 989 C GLY A 69 9.400 -8.577 2.091 1.00 72.22 C ATOM 990 O GLY A 69 10.072 -8.950 3.066 1.00 44.32 O ATOM 0 H GLY A 69 7.254 -9.290 0.197 1.00 53.24 H new ATOM 0 HA2 GLY A 69 8.944 -10.482 1.218 1.00 74.41 H new ATOM 0 HA3 GLY A 69 10.164 -9.571 0.351 1.00 74.41 H new ATOM 994 N ALA A 70 8.828 -7.349 2.049 1.00 60.30 N ATOM 995 CA ALA A 70 9.001 -6.417 3.140 1.00 34.43 C ATOM 996 C ALA A 70 8.041 -6.793 4.219 1.00 40.41 C ATOM 997 O ALA A 70 6.980 -7.348 3.960 1.00 4.10 O ATOM 998 CB ALA A 70 8.747 -4.948 2.769 1.00 55.42 C ATOM 0 H ALA A 70 8.257 -7.005 1.277 1.00 60.30 H new ATOM 0 HA ALA A 70 10.045 -6.484 3.447 1.00 34.43 H new ATOM 0 HB1 ALA A 70 8.899 -4.320 3.646 1.00 55.42 H new ATOM 0 HB2 ALA A 70 9.439 -4.647 1.982 1.00 55.42 H new ATOM 0 HB3 ALA A 70 7.723 -4.834 2.415 1.00 55.42 H new ATOM 1004 N THR A 71 8.440 -6.530 5.458 1.00 60.22 N ATOM 1005 CA THR A 71 7.660 -6.893 6.599 1.00 21.43 C ATOM 1006 C THR A 71 6.589 -5.838 6.817 1.00 61.12 C ATOM 1007 O THR A 71 6.485 -4.865 6.065 1.00 54.45 O ATOM 1008 CB THR A 71 8.500 -7.052 7.869 1.00 50.01 C ATOM 1009 OG1 THR A 71 9.027 -5.787 8.306 1.00 73.53 O ATOM 1010 CG2 THR A 71 9.683 -7.988 7.561 1.00 12.51 C ATOM 0 H THR A 71 9.316 -6.058 5.683 1.00 60.22 H new ATOM 0 HA THR A 71 7.211 -7.866 6.398 1.00 21.43 H new ATOM 0 HB THR A 71 7.865 -7.459 8.656 1.00 50.01 H new ATOM 0 HG1 THR A 71 9.558 -5.917 9.119 1.00 73.53 H new ATOM 0 HG21 THR A 71 10.292 -8.112 8.457 1.00 12.51 H new ATOM 0 HG22 THR A 71 9.305 -8.959 7.242 1.00 12.51 H new ATOM 0 HG23 THR A 71 10.291 -7.556 6.766 1.00 12.51 H new ATOM 1018 N HIS A 72 5.768 -6.036 7.877 1.00 14.13 N ATOM 1019 CA HIS A 72 4.718 -5.097 8.240 1.00 74.33 C ATOM 1020 C HIS A 72 5.368 -3.768 8.553 1.00 53.34 C ATOM 1021 O HIS A 72 4.967 -2.758 8.009 1.00 73.31 O ATOM 1022 CB HIS A 72 3.911 -5.573 9.496 1.00 63.22 C ATOM 1023 CG HIS A 72 2.897 -4.581 10.058 1.00 30.02 C ATOM 1024 ND1 HIS A 72 2.902 -3.221 10.102 1.00 62.42 N flip ATOM 1025 CD2 HIS A 72 1.819 -4.994 10.795 1.00 41.43 C flip ATOM 1026 CE1 HIS A 72 1.831 -2.833 10.848 1.00 42.12 C flip ATOM 1027 NE2 HIS A 72 1.180 -3.920 11.253 1.00 11.30 N flip ATOM 0 H HIS A 72 5.827 -6.849 8.490 1.00 14.13 H new ATOM 0 HA HIS A 72 4.019 -5.020 7.407 1.00 74.33 H new ATOM 0 HB2 HIS A 72 3.385 -6.492 9.238 1.00 63.22 H new ATOM 0 HB3 HIS A 72 4.620 -5.823 10.285 1.00 63.22 H new ATOM 0 HD2 HIS A 72 1.535 -6.020 10.975 1.00 41.43 H new ATOM 0 HE1 HIS A 72 1.556 -1.813 11.073 1.00 42.12 H new ATOM 0 HE2 HIS A 72 0.332 -3.929 11.820 1.00 11.30 H new ATOM 1036 N LYS A 73 6.399 -3.738 9.452 1.00 72.21 N ATOM 1037 CA LYS A 73 7.076 -2.466 9.784 1.00 62.21 C ATOM 1038 C LYS A 73 7.633 -1.811 8.535 1.00 13.44 C ATOM 1039 O LYS A 73 7.326 -0.666 8.250 1.00 31.21 O ATOM 1040 CB LYS A 73 8.237 -2.604 10.800 1.00 14.03 C ATOM 1041 CG LYS A 73 7.834 -3.280 12.111 1.00 41.31 C ATOM 1042 CD LYS A 73 8.918 -3.190 13.194 1.00 53.20 C ATOM 1043 CE LYS A 73 8.694 -4.133 14.393 1.00 21.12 C ATOM 1044 NZ LYS A 73 7.349 -3.967 14.975 1.00 5.42 N ATOM 0 H LYS A 73 6.762 -4.557 9.940 1.00 72.21 H new ATOM 0 HA LYS A 73 6.300 -1.856 10.246 1.00 62.21 H new ATOM 0 HB2 LYS A 73 9.043 -3.176 10.340 1.00 14.03 H new ATOM 0 HB3 LYS A 73 8.634 -1.613 11.020 1.00 14.03 H new ATOM 0 HG2 LYS A 73 6.918 -2.820 12.483 1.00 41.31 H new ATOM 0 HG3 LYS A 73 7.609 -4.329 11.918 1.00 41.31 H new ATOM 0 HD2 LYS A 73 9.885 -3.416 12.744 1.00 53.20 H new ATOM 0 HD3 LYS A 73 8.968 -2.164 13.558 1.00 53.20 H new ATOM 0 HE2 LYS A 73 8.827 -5.166 14.073 1.00 21.12 H new ATOM 0 HE3 LYS A 73 9.447 -3.937 15.156 1.00 21.12 H new ATOM 0 HZ1 LYS A 73 7.282 -4.515 15.856 1.00 5.42 H new ATOM 0 HZ2 LYS A 73 7.181 -2.961 15.179 1.00 5.42 H new ATOM 0 HZ3 LYS A 73 6.634 -4.308 14.301 1.00 5.42 H new ATOM 1058 N GLN A 74 8.476 -2.545 7.773 1.00 20.11 N ATOM 1059 CA GLN A 74 9.138 -1.989 6.593 1.00 31.42 C ATOM 1060 C GLN A 74 8.121 -1.383 5.650 1.00 2.40 C ATOM 1061 O GLN A 74 8.337 -0.309 5.101 1.00 62.22 O ATOM 1062 CB GLN A 74 9.901 -3.066 5.847 1.00 5.13 C ATOM 1063 CG GLN A 74 11.005 -3.671 6.699 1.00 41.02 C ATOM 1064 CD GLN A 74 12.089 -2.619 6.857 1.00 14.41 C ATOM 1065 OE1 GLN A 74 12.542 -2.028 5.873 1.00 44.40 O ATOM 1066 NE2 GLN A 74 12.518 -2.367 8.093 1.00 73.33 N ATOM 0 H GLN A 74 8.707 -3.520 7.962 1.00 20.11 H new ATOM 0 HA GLN A 74 9.830 -1.220 6.937 1.00 31.42 H new ATOM 0 HB2 GLN A 74 9.211 -3.850 5.536 1.00 5.13 H new ATOM 0 HB3 GLN A 74 10.333 -2.643 4.940 1.00 5.13 H new ATOM 0 HG2 GLN A 74 10.617 -3.971 7.673 1.00 41.02 H new ATOM 0 HG3 GLN A 74 11.407 -4.567 6.226 1.00 41.02 H new ATOM 0 HE21 GLN A 74 12.121 -2.874 8.884 1.00 73.33 H new ATOM 0 HE22 GLN A 74 13.243 -1.667 8.248 1.00 73.33 H new ATOM 1075 N ALA A 75 6.984 -2.068 5.489 1.00 23.12 N ATOM 1076 CA ALA A 75 5.899 -1.615 4.628 1.00 23.11 C ATOM 1077 C ALA A 75 5.525 -0.191 4.944 1.00 72.54 C ATOM 1078 O ALA A 75 5.500 0.669 4.060 1.00 23.23 O ATOM 1079 CB ALA A 75 4.630 -2.450 4.785 1.00 0.32 C ATOM 0 H ALA A 75 6.795 -2.955 5.956 1.00 23.12 H new ATOM 0 HA ALA A 75 6.276 -1.714 3.610 1.00 23.11 H new ATOM 0 HB1 ALA A 75 3.857 -2.066 4.119 1.00 0.32 H new ATOM 0 HB2 ALA A 75 4.844 -3.488 4.532 1.00 0.32 H new ATOM 0 HB3 ALA A 75 4.282 -2.393 5.816 1.00 0.32 H new ATOM 1085 N VAL A 76 5.213 0.084 6.220 1.00 2.14 N ATOM 1086 CA VAL A 76 4.707 1.376 6.589 1.00 54.11 C ATOM 1087 C VAL A 76 5.842 2.395 6.588 1.00 31.02 C ATOM 1088 O VAL A 76 5.626 3.535 6.192 1.00 34.11 O ATOM 1089 CB VAL A 76 3.935 1.403 7.901 1.00 72.43 C ATOM 1090 CG1 VAL A 76 2.516 0.870 7.616 1.00 53.14 C ATOM 1091 CG2 VAL A 76 4.676 0.567 8.960 1.00 61.50 C ATOM 0 H VAL A 76 5.308 -0.576 6.992 1.00 2.14 H new ATOM 0 HA VAL A 76 3.969 1.644 5.833 1.00 54.11 H new ATOM 0 HB VAL A 76 3.859 2.414 8.301 1.00 72.43 H new ATOM 0 HG11 VAL A 76 1.933 0.875 8.537 1.00 53.14 H new ATOM 0 HG12 VAL A 76 2.030 1.506 6.876 1.00 53.14 H new ATOM 0 HG13 VAL A 76 2.580 -0.149 7.233 1.00 53.14 H new ATOM 0 HG21 VAL A 76 4.119 0.590 9.897 1.00 61.50 H new ATOM 0 HG22 VAL A 76 4.763 -0.463 8.615 1.00 61.50 H new ATOM 0 HG23 VAL A 76 5.671 0.981 9.120 1.00 61.50 H new ATOM 1101 N CYS A 77 7.105 2.007 7.035 1.00 41.41 N ATOM 1102 CA CYS A 77 8.179 3.083 7.085 1.00 5.13 C ATOM 1103 C CYS A 77 8.391 3.547 5.636 1.00 40.52 C ATOM 1104 O CYS A 77 8.877 4.606 5.377 1.00 3.44 O ATOM 1105 CB CYS A 77 9.576 2.604 7.603 1.00 55.41 C ATOM 1106 SG CYS A 77 9.801 2.816 9.402 1.00 24.44 S ATOM 0 H CYS A 77 7.381 1.071 7.332 1.00 41.41 H new ATOM 0 HA CYS A 77 7.830 3.848 7.779 1.00 5.13 H new ATOM 0 HB2 CYS A 77 9.706 1.552 7.351 1.00 55.41 H new ATOM 0 HB3 CYS A 77 10.357 3.156 7.080 1.00 55.41 H new ATOM 1111 N THR A 78 8.206 2.615 4.667 1.00 35.23 N ATOM 1112 CA THR A 78 8.481 2.933 3.282 1.00 64.13 C ATOM 1113 C THR A 78 7.397 3.874 2.796 1.00 11.03 C ATOM 1114 O THR A 78 7.691 4.869 2.182 1.00 52.34 O ATOM 1115 CB THR A 78 8.545 1.699 2.383 1.00 44.34 C ATOM 1116 OG1 THR A 78 9.447 0.739 2.948 1.00 0.41 O ATOM 1117 CG2 THR A 78 9.081 2.119 0.991 1.00 1.33 C ATOM 0 H THR A 78 7.875 1.665 4.833 1.00 35.23 H new ATOM 0 HA THR A 78 9.466 3.397 3.227 1.00 64.13 H new ATOM 0 HB THR A 78 7.550 1.263 2.293 1.00 44.34 H new ATOM 0 HG1 THR A 78 9.045 0.345 3.750 1.00 0.41 H new ATOM 0 HG21 THR A 78 9.131 1.245 0.341 1.00 1.33 H new ATOM 0 HG22 THR A 78 8.413 2.860 0.552 1.00 1.33 H new ATOM 0 HG23 THR A 78 10.077 2.548 1.099 1.00 1.33 H new ATOM 1125 N LEU A 79 6.111 3.561 3.119 1.00 2.13 N ATOM 1126 CA LEU A 79 4.967 4.407 2.719 1.00 42.14 C ATOM 1127 C LEU A 79 5.084 5.775 3.351 1.00 31.31 C ATOM 1128 O LEU A 79 4.595 6.754 2.798 1.00 24.23 O ATOM 1129 CB LEU A 79 3.593 3.819 3.117 1.00 34.51 C ATOM 1130 CG LEU A 79 3.171 2.612 2.251 1.00 71.11 C ATOM 1131 CD1 LEU A 79 1.942 1.884 2.824 1.00 1.42 C ATOM 1132 CD2 LEU A 79 2.977 2.999 0.763 1.00 32.55 C ATOM 0 H LEU A 79 5.849 2.732 3.653 1.00 2.13 H new ATOM 0 HA LEU A 79 5.009 4.462 1.631 1.00 42.14 H new ATOM 0 HB2 LEU A 79 3.626 3.513 4.163 1.00 34.51 H new ATOM 0 HB3 LEU A 79 2.835 4.598 3.036 1.00 34.51 H new ATOM 0 HG LEU A 79 3.998 1.902 2.285 1.00 71.11 H new ATOM 0 HD11 LEU A 79 1.684 1.043 2.180 1.00 1.42 H new ATOM 0 HD12 LEU A 79 2.170 1.518 3.825 1.00 1.42 H new ATOM 0 HD13 LEU A 79 1.100 2.575 2.873 1.00 1.42 H new ATOM 0 HD21 LEU A 79 2.681 2.118 0.194 1.00 32.55 H new ATOM 0 HD22 LEU A 79 2.201 3.760 0.683 1.00 32.55 H new ATOM 0 HD23 LEU A 79 3.913 3.391 0.364 1.00 32.55 H new ATOM 1144 N ARG A 80 5.709 5.865 4.534 1.00 31.24 N ATOM 1145 CA ARG A 80 5.927 7.154 5.159 1.00 74.53 C ATOM 1146 C ARG A 80 7.024 7.841 4.391 1.00 24.30 C ATOM 1147 O ARG A 80 6.839 8.947 3.889 1.00 34.32 O ATOM 1148 CB ARG A 80 6.390 7.045 6.633 1.00 33.20 C ATOM 1149 CG ARG A 80 6.715 8.416 7.277 1.00 5.43 C ATOM 1150 CD ARG A 80 7.261 8.316 8.707 1.00 3.51 C ATOM 1151 NE ARG A 80 8.412 7.338 8.705 1.00 4.01 N ATOM 1152 CZ ARG A 80 9.705 7.701 8.354 1.00 74.42 C ATOM 1153 NH1 ARG A 80 9.984 8.965 7.894 1.00 21.24 N ATOM 1154 NH2 ARG A 80 10.714 6.784 8.472 1.00 45.42 N ATOM 0 H ARG A 80 6.063 5.067 5.061 1.00 31.24 H new ATOM 0 HA ARG A 80 4.982 7.696 5.148 1.00 74.53 H new ATOM 0 HB2 ARG A 80 5.611 6.553 7.216 1.00 33.20 H new ATOM 0 HB3 ARG A 80 7.274 6.409 6.683 1.00 33.20 H new ATOM 0 HG2 ARG A 80 7.445 8.935 6.655 1.00 5.43 H new ATOM 0 HG3 ARG A 80 5.812 9.026 7.285 1.00 5.43 H new ATOM 0 HD2 ARG A 80 7.593 9.294 9.056 1.00 3.51 H new ATOM 0 HD3 ARG A 80 6.480 7.982 9.390 1.00 3.51 H new ATOM 0 HE ARG A 80 8.232 6.370 8.973 1.00 4.01 H new ATOM 0 HH11 ARG A 80 9.236 9.653 7.806 1.00 21.24 H new ATOM 0 HH12 ARG A 80 10.940 9.216 7.640 1.00 21.24 H new ATOM 0 HH21 ARG A 80 10.512 5.845 8.815 1.00 45.42 H new ATOM 0 HH22 ARG A 80 11.668 7.040 8.217 1.00 45.42 H new ATOM 1168 N ASN A 81 8.212 7.176 4.346 1.00 55.41 N ATOM 1169 CA ASN A 81 9.466 7.710 3.765 1.00 34.32 C ATOM 1170 C ASN A 81 9.381 7.801 2.224 1.00 11.13 C ATOM 1171 O ASN A 81 10.305 7.407 1.493 1.00 12.44 O ATOM 1172 CB ASN A 81 10.666 6.806 4.154 1.00 25.32 C ATOM 1173 CG ASN A 81 11.975 7.516 3.874 1.00 21.25 C ATOM 1174 OD1 ASN A 81 12.040 8.749 3.849 1.00 63.44 O ATOM 1175 ND2 ASN A 81 13.042 6.739 3.668 1.00 34.33 N ATOM 0 H ASN A 81 8.321 6.234 4.722 1.00 55.41 H new ATOM 0 HA ASN A 81 9.611 8.713 4.167 1.00 34.32 H new ATOM 0 HB2 ASN A 81 10.605 6.545 5.211 1.00 25.32 H new ATOM 0 HB3 ASN A 81 10.624 5.873 3.592 1.00 25.32 H new ATOM 0 HD21 ASN A 81 13.952 7.161 3.482 1.00 34.33 H new ATOM 0 HD22 ASN A 81 12.947 5.724 3.697 1.00 34.33 H new ATOM 1182 N THR A 82 8.287 8.339 1.752 1.00 13.32 N ATOM 1183 CA THR A 82 8.052 8.640 0.377 1.00 23.10 C ATOM 1184 C THR A 82 8.184 10.129 0.247 1.00 34.11 C ATOM 1185 O THR A 82 8.544 10.825 1.208 1.00 74.35 O ATOM 1186 CB THR A 82 6.661 8.217 -0.049 1.00 31.14 C ATOM 1187 OG1 THR A 82 5.731 8.501 1.003 1.00 12.32 O ATOM 1188 CG2 THR A 82 6.714 6.711 -0.283 1.00 54.24 C ATOM 0 H THR A 82 7.501 8.589 2.352 1.00 13.32 H new ATOM 0 HA THR A 82 8.760 8.106 -0.257 1.00 23.10 H new ATOM 0 HB THR A 82 6.345 8.748 -0.947 1.00 31.14 H new ATOM 0 HG1 THR A 82 5.482 7.667 1.453 1.00 12.32 H new ATOM 0 HG21 THR A 82 5.731 6.356 -0.593 1.00 54.24 H new ATOM 0 HG22 THR A 82 7.443 6.489 -1.063 1.00 54.24 H new ATOM 0 HG23 THR A 82 7.006 6.210 0.640 1.00 54.24 H new ATOM 1196 N GLY A 83 7.907 10.645 -0.954 1.00 33.33 N ATOM 1197 CA GLY A 83 7.916 12.059 -1.178 1.00 21.02 C ATOM 1198 C GLY A 83 6.554 12.546 -0.796 1.00 63.44 C ATOM 1199 O GLY A 83 5.814 11.871 -0.060 1.00 43.13 O ATOM 0 H GLY A 83 7.675 10.087 -1.776 1.00 33.33 H new ATOM 0 HA2 GLY A 83 8.686 12.544 -0.578 1.00 21.02 H new ATOM 0 HA3 GLY A 83 8.134 12.287 -2.221 1.00 21.02 H new ATOM 1203 N GLN A 84 6.184 13.737 -1.297 1.00 52.44 N ATOM 1204 CA GLN A 84 4.910 14.321 -0.972 1.00 42.45 C ATOM 1205 C GLN A 84 3.830 13.382 -1.436 1.00 52.24 C ATOM 1206 O GLN A 84 2.983 12.962 -0.650 1.00 55.03 O ATOM 1207 CB GLN A 84 4.684 15.684 -1.647 1.00 24.15 C ATOM 1208 CG GLN A 84 3.350 16.335 -1.266 1.00 33.54 C ATOM 1209 CD GLN A 84 3.271 17.687 -1.951 1.00 72.22 C ATOM 1210 OE1 GLN A 84 4.276 18.198 -2.448 1.00 51.21 O ATOM 1211 NE2 GLN A 84 2.074 18.283 -1.992 1.00 72.32 N ATOM 0 H GLN A 84 6.760 14.298 -1.925 1.00 52.44 H new ATOM 0 HA GLN A 84 4.887 14.480 0.106 1.00 42.45 H new ATOM 0 HB2 GLN A 84 5.499 16.356 -1.376 1.00 24.15 H new ATOM 0 HB3 GLN A 84 4.722 15.557 -2.729 1.00 24.15 H new ATOM 0 HG2 GLN A 84 2.517 15.703 -1.574 1.00 33.54 H new ATOM 0 HG3 GLN A 84 3.279 16.452 -0.185 1.00 33.54 H new ATOM 0 HE21 GLN A 84 1.264 17.830 -1.570 1.00 72.32 H new ATOM 0 HE22 GLN A 84 1.972 19.191 -2.446 1.00 72.32 H new ATOM 1220 N VAL A 85 3.856 13.009 -2.717 1.00 34.22 N ATOM 1221 CA VAL A 85 2.874 12.119 -3.237 1.00 42.14 C ATOM 1222 C VAL A 85 3.532 10.781 -3.316 1.00 11.14 C ATOM 1223 O VAL A 85 4.744 10.676 -3.530 1.00 23.40 O ATOM 1224 CB VAL A 85 2.362 12.574 -4.597 1.00 61.24 C ATOM 1225 CG1 VAL A 85 1.400 11.538 -5.200 1.00 11.23 C ATOM 1226 CG2 VAL A 85 1.680 13.931 -4.370 1.00 22.55 C ATOM 0 H VAL A 85 4.553 13.320 -3.394 1.00 34.22 H new ATOM 0 HA VAL A 85 1.994 12.088 -2.594 1.00 42.14 H new ATOM 0 HB VAL A 85 3.175 12.673 -5.316 1.00 61.24 H new ATOM 0 HG11 VAL A 85 1.050 11.889 -6.171 1.00 11.23 H new ATOM 0 HG12 VAL A 85 1.919 10.588 -5.323 1.00 11.23 H new ATOM 0 HG13 VAL A 85 0.548 11.402 -4.534 1.00 11.23 H new ATOM 0 HG21 VAL A 85 1.292 14.306 -5.317 1.00 22.55 H new ATOM 0 HG22 VAL A 85 0.859 13.812 -3.663 1.00 22.55 H new ATOM 0 HG23 VAL A 85 2.404 14.640 -3.968 1.00 22.55 H new ATOM 1236 N VAL A 86 2.748 9.726 -3.069 1.00 51.52 N ATOM 1237 CA VAL A 86 3.248 8.400 -3.016 1.00 21.52 C ATOM 1238 C VAL A 86 2.838 7.760 -4.289 1.00 43.35 C ATOM 1239 O VAL A 86 1.670 7.809 -4.675 1.00 30.44 O ATOM 1240 CB VAL A 86 2.624 7.589 -1.886 1.00 30.34 C ATOM 1241 CG1 VAL A 86 3.269 6.182 -1.842 1.00 31.34 C ATOM 1242 CG2 VAL A 86 2.781 8.390 -0.579 1.00 71.34 C ATOM 0 H VAL A 86 1.744 9.798 -2.903 1.00 51.52 H new ATOM 0 HA VAL A 86 4.326 8.430 -2.855 1.00 21.52 H new ATOM 0 HB VAL A 86 1.558 7.425 -2.042 1.00 30.34 H new ATOM 0 HG11 VAL A 86 2.823 5.602 -1.034 1.00 31.34 H new ATOM 0 HG12 VAL A 86 3.098 5.673 -2.791 1.00 31.34 H new ATOM 0 HG13 VAL A 86 4.341 6.278 -1.670 1.00 31.34 H new ATOM 0 HG21 VAL A 86 2.341 7.830 0.246 1.00 71.34 H new ATOM 0 HG22 VAL A 86 3.839 8.558 -0.380 1.00 71.34 H new ATOM 0 HG23 VAL A 86 2.273 9.350 -0.677 1.00 71.34 H new ATOM 1252 N HIS A 87 3.784 7.136 -4.961 1.00 11.45 N ATOM 1253 CA HIS A 87 3.486 6.348 -6.111 1.00 35.43 C ATOM 1254 C HIS A 87 3.677 4.974 -5.637 1.00 24.14 C ATOM 1255 O HIS A 87 4.699 4.664 -5.047 1.00 32.12 O ATOM 1256 CB HIS A 87 4.453 6.591 -7.294 1.00 72.43 C ATOM 1257 CG HIS A 87 4.160 5.759 -8.530 1.00 51.22 C ATOM 1258 ND1 HIS A 87 4.573 4.457 -8.671 1.00 54.40 N ATOM 1259 CD2 HIS A 87 3.546 6.103 -9.676 1.00 14.24 C ATOM 1260 CE1 HIS A 87 4.226 4.033 -9.875 1.00 53.10 C ATOM 1261 NE2 HIS A 87 3.599 5.012 -10.503 1.00 72.22 N ATOM 0 H HIS A 87 4.774 7.168 -4.716 1.00 11.45 H new ATOM 0 HA HIS A 87 2.491 6.583 -6.488 1.00 35.43 H new ATOM 0 HB2 HIS A 87 4.417 7.646 -7.565 1.00 72.43 H new ATOM 0 HB3 HIS A 87 5.470 6.382 -6.964 1.00 72.43 H new ATOM 0 HD2 HIS A 87 3.096 7.059 -9.902 1.00 14.24 H new ATOM 0 HE1 HIS A 87 4.422 3.050 -10.278 1.00 53.10 H new ATOM 0 HE2 HIS A 87 3.217 4.963 -11.448 1.00 72.22 H new ATOM 1270 N LEU A 88 2.692 4.147 -5.825 1.00 31.43 N ATOM 1271 CA LEU A 88 2.791 2.816 -5.339 1.00 41.20 C ATOM 1272 C LEU A 88 1.903 1.990 -6.148 1.00 1.12 C ATOM 1273 O LEU A 88 0.801 2.396 -6.510 1.00 73.33 O ATOM 1274 CB LEU A 88 2.450 2.627 -3.820 1.00 75.24 C ATOM 1275 CG LEU A 88 0.974 2.884 -3.395 1.00 32.44 C ATOM 1276 CD1 LEU A 88 0.775 2.709 -1.888 1.00 44.55 C ATOM 1277 CD2 LEU A 88 0.402 4.218 -3.882 1.00 32.23 C ATOM 0 H LEU A 88 1.822 4.373 -6.307 1.00 31.43 H new ATOM 0 HA LEU A 88 3.838 2.524 -5.423 1.00 41.20 H new ATOM 0 HB2 LEU A 88 2.712 1.608 -3.537 1.00 75.24 H new ATOM 0 HB3 LEU A 88 3.091 3.293 -3.242 1.00 75.24 H new ATOM 0 HG LEU A 88 0.397 2.114 -3.907 1.00 32.44 H new ATOM 0 HD11 LEU A 88 -0.268 2.897 -1.634 1.00 44.55 H new ATOM 0 HD12 LEU A 88 1.040 1.691 -1.602 1.00 44.55 H new ATOM 0 HD13 LEU A 88 1.411 3.414 -1.353 1.00 44.55 H new ATOM 0 HD21 LEU A 88 -0.629 4.317 -3.543 1.00 32.23 H new ATOM 0 HD22 LEU A 88 0.997 5.038 -3.479 1.00 32.23 H new ATOM 0 HD23 LEU A 88 0.430 4.250 -4.971 1.00 32.23 H new ATOM 1289 N LEU A 89 2.390 0.832 -6.527 1.00 11.50 N ATOM 1290 CA LEU A 89 1.619 -0.103 -7.267 1.00 61.31 C ATOM 1291 C LEU A 89 0.771 -0.833 -6.304 1.00 31.11 C ATOM 1292 O LEU A 89 1.235 -1.267 -5.234 1.00 41.45 O ATOM 1293 CB LEU A 89 2.502 -1.158 -7.984 1.00 54.02 C ATOM 1294 CG LEU A 89 3.148 -0.675 -9.300 1.00 13.11 C ATOM 1295 CD1 LEU A 89 3.745 0.733 -9.213 1.00 41.33 C ATOM 1296 CD2 LEU A 89 4.145 -1.699 -9.860 1.00 1.12 C ATOM 0 H LEU A 89 3.340 0.522 -6.323 1.00 11.50 H new ATOM 0 HA LEU A 89 1.050 0.443 -8.020 1.00 61.31 H new ATOM 0 HB2 LEU A 89 3.292 -1.474 -7.302 1.00 54.02 H new ATOM 0 HB3 LEU A 89 1.893 -2.037 -8.196 1.00 54.02 H new ATOM 0 HG LEU A 89 2.331 -0.595 -10.017 1.00 13.11 H new ATOM 0 HD11 LEU A 89 4.181 1.004 -10.175 1.00 41.33 H new ATOM 0 HD12 LEU A 89 2.961 1.445 -8.956 1.00 41.33 H new ATOM 0 HD13 LEU A 89 4.519 0.753 -8.446 1.00 41.33 H new ATOM 0 HD21 LEU A 89 4.576 -1.319 -10.786 1.00 1.12 H new ATOM 0 HD22 LEU A 89 4.939 -1.869 -9.133 1.00 1.12 H new ATOM 0 HD23 LEU A 89 3.629 -2.638 -10.059 1.00 1.12 H new ATOM 1308 N LEU A 90 -0.476 -1.003 -6.690 1.00 5.35 N ATOM 1309 CA LEU A 90 -1.397 -1.777 -5.921 1.00 35.21 C ATOM 1310 C LEU A 90 -1.566 -3.014 -6.710 1.00 64.44 C ATOM 1311 O LEU A 90 -1.456 -2.986 -7.936 1.00 45.21 O ATOM 1312 CB LEU A 90 -2.832 -1.190 -5.751 1.00 71.44 C ATOM 1313 CG LEU A 90 -2.949 0.339 -5.562 1.00 24.34 C ATOM 1314 CD1 LEU A 90 -2.172 0.903 -4.374 1.00 54.13 C ATOM 1315 CD2 LEU A 90 -2.685 1.113 -6.849 1.00 44.14 C ATOM 0 H LEU A 90 -0.868 -0.606 -7.544 1.00 5.35 H new ATOM 0 HA LEU A 90 -0.990 -1.862 -4.913 1.00 35.21 H new ATOM 0 HB2 LEU A 90 -3.417 -1.468 -6.627 1.00 71.44 H new ATOM 0 HB3 LEU A 90 -3.296 -1.674 -4.891 1.00 71.44 H new ATOM 0 HG LEU A 90 -3.996 0.495 -5.301 1.00 24.34 H new ATOM 0 HD11 LEU A 90 -2.316 1.982 -4.324 1.00 54.13 H new ATOM 0 HD12 LEU A 90 -2.533 0.446 -3.453 1.00 54.13 H new ATOM 0 HD13 LEU A 90 -1.111 0.684 -4.496 1.00 54.13 H new ATOM 0 HD21 LEU A 90 -2.781 2.182 -6.657 1.00 44.14 H new ATOM 0 HD22 LEU A 90 -1.677 0.897 -7.203 1.00 44.14 H new ATOM 0 HD23 LEU A 90 -3.408 0.814 -7.608 1.00 44.14 H new ATOM 1327 N GLU A 91 -1.866 -4.104 -6.053 1.00 41.43 N ATOM 1328 CA GLU A 91 -2.236 -5.299 -6.707 1.00 43.43 C ATOM 1329 C GLU A 91 -3.574 -5.546 -6.141 1.00 61.42 C ATOM 1330 O GLU A 91 -3.753 -5.410 -4.928 1.00 54.44 O ATOM 1331 CB GLU A 91 -1.343 -6.492 -6.301 1.00 32.13 C ATOM 1332 CG GLU A 91 -1.668 -7.806 -7.003 1.00 32.10 C ATOM 1333 CD GLU A 91 -0.764 -8.866 -6.429 1.00 43.13 C ATOM 1334 OE1 GLU A 91 -0.797 -9.059 -5.182 1.00 3.21 O ATOM 1335 OE2 GLU A 91 -0.029 -9.511 -7.191 1.00 53.01 O ATOM 0 H GLU A 91 -1.855 -4.172 -5.035 1.00 41.43 H new ATOM 0 HA GLU A 91 -2.170 -5.208 -7.791 1.00 43.43 H new ATOM 0 HB2 GLU A 91 -0.304 -6.235 -6.506 1.00 32.13 H new ATOM 0 HB3 GLU A 91 -1.429 -6.641 -5.225 1.00 32.13 H new ATOM 0 HG2 GLU A 91 -2.714 -8.072 -6.852 1.00 32.10 H new ATOM 0 HG3 GLU A 91 -1.515 -7.714 -8.078 1.00 32.10 H new ATOM 1342 N LYS A 92 -4.572 -5.868 -6.984 1.00 43.33 N ATOM 1343 CA LYS A 92 -5.903 -6.131 -6.465 1.00 73.32 C ATOM 1344 C LYS A 92 -5.826 -7.292 -5.532 1.00 75.34 C ATOM 1345 O LYS A 92 -5.269 -8.337 -5.871 1.00 13.35 O ATOM 1346 CB LYS A 92 -6.977 -6.456 -7.530 1.00 32.43 C ATOM 1347 CG LYS A 92 -7.223 -5.321 -8.527 1.00 53.11 C ATOM 1348 CD LYS A 92 -7.623 -3.983 -7.873 1.00 61.12 C ATOM 1349 CE LYS A 92 -8.960 -4.013 -7.108 1.00 23.43 C ATOM 1350 NZ LYS A 92 -9.159 -2.748 -6.364 1.00 12.14 N ATOM 0 H LYS A 92 -4.477 -5.948 -7.996 1.00 43.33 H new ATOM 0 HA LYS A 92 -6.217 -5.205 -5.983 1.00 73.32 H new ATOM 0 HB2 LYS A 92 -6.674 -7.348 -8.078 1.00 32.43 H new ATOM 0 HB3 LYS A 92 -7.914 -6.694 -7.026 1.00 32.43 H new ATOM 0 HG2 LYS A 92 -6.320 -5.169 -9.117 1.00 53.11 H new ATOM 0 HG3 LYS A 92 -8.009 -5.624 -9.219 1.00 53.11 H new ATOM 0 HD2 LYS A 92 -6.833 -3.680 -7.185 1.00 61.12 H new ATOM 0 HD3 LYS A 92 -7.681 -3.219 -8.648 1.00 61.12 H new ATOM 0 HE2 LYS A 92 -9.783 -4.164 -7.807 1.00 23.43 H new ATOM 0 HE3 LYS A 92 -8.971 -4.855 -6.416 1.00 23.43 H new ATOM 0 HZ1 LYS A 92 -10.163 -2.648 -6.111 1.00 12.14 H new ATOM 0 HZ2 LYS A 92 -8.583 -2.760 -5.498 1.00 12.14 H new ATOM 0 HZ3 LYS A 92 -8.871 -1.946 -6.960 1.00 12.14 H new ATOM 1364 N GLY A 93 -6.384 -7.111 -4.343 1.00 71.40 N ATOM 1365 CA GLY A 93 -6.401 -8.139 -3.344 1.00 10.23 C ATOM 1366 C GLY A 93 -7.823 -8.511 -3.196 1.00 41.50 C ATOM 1367 O GLY A 93 -8.171 -9.394 -2.404 1.00 32.01 O ATOM 0 H GLY A 93 -6.835 -6.242 -4.056 1.00 71.40 H new ATOM 0 HA2 GLY A 93 -5.800 -8.995 -3.650 1.00 10.23 H new ATOM 0 HA3 GLY A 93 -5.988 -7.779 -2.402 1.00 10.23 H new ATOM 1371 N GLN A 94 -8.711 -7.831 -4.005 1.00 62.51 N ATOM 1372 CA GLN A 94 -10.125 -8.095 -4.020 1.00 11.43 C ATOM 1373 C GLN A 94 -10.682 -7.668 -2.674 1.00 3.33 C ATOM 1374 O GLN A 94 -9.989 -7.026 -1.882 1.00 54.54 O ATOM 1375 CB GLN A 94 -10.459 -9.599 -4.376 1.00 1.25 C ATOM 1376 CG GLN A 94 -11.727 -9.839 -5.236 1.00 51.33 C ATOM 1377 CD GLN A 94 -12.919 -10.056 -4.332 1.00 31.25 C ATOM 1378 OE1 GLN A 94 -13.836 -9.229 -4.279 1.00 74.31 O ATOM 1379 NE2 GLN A 94 -12.928 -11.175 -3.601 1.00 13.10 N ATOM 0 H GLN A 94 -8.426 -7.093 -4.649 1.00 62.51 H new ATOM 0 HA GLN A 94 -10.603 -7.521 -4.814 1.00 11.43 H new ATOM 0 HB2 GLN A 94 -9.604 -10.023 -4.902 1.00 1.25 H new ATOM 0 HB3 GLN A 94 -10.568 -10.154 -3.444 1.00 1.25 H new ATOM 0 HG2 GLN A 94 -11.903 -8.984 -5.888 1.00 51.33 H new ATOM 0 HG3 GLN A 94 -11.583 -10.707 -5.880 1.00 51.33 H new ATOM 0 HE21 GLN A 94 -12.154 -11.836 -3.670 1.00 13.10 H new ATOM 0 HE22 GLN A 94 -13.709 -11.368 -2.974 1.00 13.10 H new ATOM 1388 N SER A 95 -11.935 -7.969 -2.412 1.00 40.51 N ATOM 1389 CA SER A 95 -12.450 -7.845 -1.073 1.00 22.33 C ATOM 1390 C SER A 95 -12.489 -9.268 -0.540 1.00 15.41 C ATOM 1391 O SER A 95 -13.401 -10.037 -0.870 1.00 41.13 O ATOM 1392 CB SER A 95 -13.872 -7.252 -1.030 1.00 63.01 C ATOM 1393 OG SER A 95 -13.855 -5.941 -1.618 1.00 75.30 O ATOM 0 H SER A 95 -12.608 -8.298 -3.104 1.00 40.51 H new ATOM 0 HA SER A 95 -11.824 -7.170 -0.489 1.00 22.33 H new ATOM 0 HB2 SER A 95 -14.565 -7.897 -1.571 1.00 63.01 H new ATOM 0 HB3 SER A 95 -14.225 -7.197 -0.000 1.00 63.01 H new ATOM 0 HG SER A 95 -14.758 -5.560 -1.595 1.00 75.30 H new ATOM 1399 N PRO A 96 -11.439 -9.658 0.232 1.00 61.12 N ATOM 1400 CA PRO A 96 -11.255 -11.028 0.676 1.00 3.03 C ATOM 1401 C PRO A 96 -12.342 -11.378 1.653 1.00 21.34 C ATOM 1402 O PRO A 96 -12.490 -10.684 2.670 1.00 24.21 O ATOM 1403 CB PRO A 96 -9.864 -11.041 1.351 1.00 41.35 C ATOM 1404 CG PRO A 96 -9.630 -9.577 1.781 1.00 2.52 C ATOM 1405 CD PRO A 96 -10.356 -8.773 0.697 1.00 12.32 C ATOM 0 HA PRO A 96 -11.306 -11.756 -0.134 1.00 3.03 H new ATOM 0 HB2 PRO A 96 -9.845 -11.714 2.208 1.00 41.35 H new ATOM 0 HB3 PRO A 96 -9.091 -11.381 0.661 1.00 41.35 H new ATOM 0 HG2 PRO A 96 -10.039 -9.378 2.772 1.00 2.52 H new ATOM 0 HG3 PRO A 96 -8.568 -9.334 1.820 1.00 2.52 H new ATOM 0 HD2 PRO A 96 -10.752 -7.839 1.096 1.00 12.32 H new ATOM 0 HD3 PRO A 96 -9.682 -8.511 -0.119 1.00 12.32 H new ATOM 1413 N THR A 97 -13.088 -12.435 1.385 1.00 14.24 N ATOM 1414 CA THR A 97 -14.071 -12.888 2.285 1.00 63.12 C ATOM 1415 C THR A 97 -14.341 -14.347 1.827 1.00 54.52 C ATOM 1416 O THR A 97 -14.518 -14.576 0.608 1.00 64.33 O ATOM 1417 CB THR A 97 -15.355 -12.021 2.287 1.00 75.14 C ATOM 1418 OG1 THR A 97 -16.354 -12.560 3.149 1.00 62.53 O ATOM 1419 CG2 THR A 97 -15.903 -11.863 0.849 1.00 5.31 C ATOM 0 H THR A 97 -13.010 -12.987 0.531 1.00 14.24 H new ATOM 0 HA THR A 97 -13.734 -12.824 3.319 1.00 63.12 H new ATOM 0 HB THR A 97 -15.088 -11.036 2.671 1.00 75.14 H new ATOM 0 HG1 THR A 97 -17.149 -11.987 3.127 1.00 62.53 H new ATOM 0 HG21 THR A 97 -16.805 -11.251 0.869 1.00 5.31 H new ATOM 0 HG22 THR A 97 -15.151 -11.381 0.224 1.00 5.31 H new ATOM 0 HG23 THR A 97 -16.140 -12.845 0.440 1.00 5.31 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 -3.629 2.149 10.816 1.00 0.15 C HETATM 1429 C2 33B A 101 -4.143 2.796 12.120 1.00 43.24 C HETATM 1430 O2 33B A 101 -5.363 2.985 12.246 1.00 62.31 O HETATM 1431 N3 33B A 101 -3.270 3.081 13.204 1.00 23.31 N HETATM 1432 C4 33B A 101 -1.704 3.128 13.229 1.00 1.35 C HETATM 1433 C5 33B A 101 -0.925 3.110 12.043 1.00 32.32 C HETATM 1434 C6 33B A 101 -0.973 3.182 14.517 1.00 44.32 C HETATM 1435 S6 33B A 101 -1.799 3.283 16.128 1.00 4.15 S HETATM 1436 C7 33B A 101 0.464 3.073 12.088 1.00 51.14 C HETATM 1437 C8 33B A 101 0.445 3.114 14.497 1.00 74.44 C HETATM 1438 C9 33B A 101 1.156 3.032 13.316 1.00 33.25 C HETATM 1439 N10 33B A 101 2.642 2.889 13.374 1.00 72.03 N HETATM 1440 N11 33B A 101 3.373 2.828 12.370 1.00 63.44 N HETATM 1441 C12 33B A 101 4.847 2.609 12.443 1.00 51.02 C HETATM 1442 C13 33B A 101 5.582 2.589 11.269 1.00 21.40 C HETATM 1443 C14 33B A 101 5.486 2.309 13.661 1.00 62.13 C HETATM 1444 C15 33B A 101 6.915 2.202 11.240 1.00 54.45 C HETATM 1445 C16 33B A 101 6.861 1.945 13.704 1.00 40.22 C HETATM 1446 C17 33B A 101 7.599 1.823 12.430 1.00 53.23 C HETATM 1447 S17 33B A 101 7.616 1.582 15.305 1.00 4.13 S HETATM 1448 N18 33B A 101 9.068 1.247 12.424 1.00 44.51 N HETATM 1449 C19 33B A 101 9.913 0.919 11.331 1.00 72.21 C HETATM 1450 O19 33B A 101 11.029 0.443 11.545 1.00 35.32 O HETATM 1451 C20 33B A 101 9.472 1.097 9.881 1.00 30.54 C HETATM 1452 O61 33B A 101 -3.022 2.542 15.936 1.00 4.43 O HETATM 1453 O62 33B A 101 -0.849 2.644 17.018 1.00 2.13 O HETATM 1454 O63 33B A 101 -1.962 4.710 16.311 1.00 3.15 O HETATM 1455 O71 33B A 101 7.673 0.140 15.303 1.00 73.25 O HETATM 1456 O72 33B A 101 8.887 2.235 15.229 1.00 70.31 O HETATM 1457 O73 33B A 101 6.689 2.157 16.262 1.00 14.33 O HETATM 0 HO72 33B A 101 9.378 2.093 16.065 1.00 70.31 H new HETATM 0 HO62 33B A 101 -1.204 2.646 17.931 1.00 2.13 H new HETATM 0 HN18 33B A 101 9.472 1.086 13.346 1.00 44.51 H new HETATM 0 HN3 33B A 101 -3.728 3.284 14.093 1.00 23.31 H new HETATM 0 H8 33B A 101 0.988 3.127 15.442 1.00 74.44 H new HETATM 0 H7 33B A 101 1.029 3.076 11.156 1.00 51.14 H new HETATM 0 H5 33B A 101 -1.427 3.126 11.075 1.00 32.32 H new HETATM 0 H15 33B A 101 7.448 2.188 10.289 1.00 54.45 H new HETATM 0 H14 33B A 101 4.916 2.356 14.589 1.00 62.13 H new HETATM 0 H13 33B A 101 5.098 2.887 10.339 1.00 21.40 H new