USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 657 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 57 GLN : amide:sc= -0.223 X(o=0.37,f=0.68) USER MOD Set 1.2: A 80 TYR OH : rot -95:sc= 0.595 USER MOD Set 2.1: A 74 CYS SG : rot 180:sc= -0.0124 USER MOD Set 2.2: A 77 MET CE :methyl 176:sc= -0.0754 (180deg=-0.0817) USER MOD Set 3.1: A 4 ASN : amide:sc= -0.711 X(o=-0.32,f=-0.11) USER MOD Set 3.2: A 32 HIS : no HE2:sc= 0.389 K(o=-0.32,f=-6.6!) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0939 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.092 X(o=0.092,f=-0.19) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.304 (180deg=-0.458) USER MOD Single : A 20 LYS NZ :NH3+ 154:sc= 0.813 (180deg=0.553) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.406 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0439) USER MOD Single : A 47 ASN : amide:sc= -0.946 K(o=-0.95,f=-2.7!) USER MOD Single : A 56 GLN : amide:sc= -0.579 K(o=-0.58,f=-0.075) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -6:sc= 0.415 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.0092) USER MOD Single : A 67 GLN : amide:sc= -3.24! C(o=-3.2!,f=-1.2!) USER MOD Single : A 68 ASN : amide:sc= -0.0739 K(o=-0.074,f=-1.4!) USER MOD Single : A 69 LYS NZ :NH3+ -154:sc= 1.1 (180deg=0.675) USER MOD Single : A 70 SER OG : rot -151:sc= 1.28 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.374 -2.195 -7.480 1.00 24.20 N ATOM 2 CA GLY A 1 14.706 -1.026 -6.907 1.00 2.04 C ATOM 3 C GLY A 1 15.555 -0.453 -5.791 1.00 4.32 C ATOM 4 O GLY A 1 16.786 -0.536 -5.855 1.00 43.44 O ATOM 0 H1 GLY A 1 15.362 -2.128 -8.518 1.00 24.20 H new ATOM 0 H2 GLY A 1 16.359 -2.230 -7.147 1.00 24.20 H new ATOM 0 H3 GLY A 1 14.877 -3.059 -7.183 1.00 24.20 H new ATOM 0 HA2 GLY A 1 14.544 -0.273 -7.678 1.00 2.04 H new ATOM 0 HA3 GLY A 1 13.725 -1.306 -6.524 1.00 2.04 H new ATOM 8 N SER A 2 14.922 0.157 -4.793 1.00 5.20 N ATOM 9 CA SER A 2 15.619 0.895 -3.749 1.00 71.13 C ATOM 10 C SER A 2 15.707 0.067 -2.468 1.00 44.12 C ATOM 11 O SER A 2 15.246 -1.076 -2.407 1.00 44.13 O ATOM 12 CB SER A 2 14.876 2.208 -3.537 1.00 53.45 C ATOM 13 OG SER A 2 15.702 3.223 -3.001 1.00 23.42 O ATOM 0 H SER A 2 13.908 0.152 -4.687 1.00 5.20 H new ATOM 0 HA SER A 2 16.647 1.106 -4.044 1.00 71.13 H new ATOM 0 HB2 SER A 2 14.464 2.545 -4.488 1.00 53.45 H new ATOM 0 HB3 SER A 2 14.033 2.040 -2.867 1.00 53.45 H new ATOM 0 HG SER A 2 15.179 4.044 -2.886 1.00 23.42 H new ATOM 19 N GLU A 3 16.299 0.656 -1.425 1.00 21.50 N ATOM 20 CA GLU A 3 16.486 -0.020 -0.146 1.00 61.55 C ATOM 21 C GLU A 3 15.145 -0.399 0.490 1.00 42.23 C ATOM 22 O GLU A 3 15.093 -1.353 1.273 1.00 51.03 O ATOM 23 CB GLU A 3 17.391 0.811 0.790 1.00 25.54 C ATOM 24 CG GLU A 3 16.733 1.956 1.592 1.00 44.41 C ATOM 25 CD GLU A 3 17.724 2.664 2.538 1.00 12.43 C ATOM 26 OE1 GLU A 3 18.644 1.999 3.071 1.00 10.03 O ATOM 27 OE2 GLU A 3 17.605 3.891 2.770 1.00 64.43 O ATOM 0 H GLU A 3 16.659 1.610 -1.447 1.00 21.50 H new ATOM 0 HA GLU A 3 17.007 -0.960 -0.326 1.00 61.55 H new ATOM 0 HB2 GLU A 3 17.856 0.128 1.500 1.00 25.54 H new ATOM 0 HB3 GLU A 3 18.192 1.240 0.188 1.00 25.54 H new ATOM 0 HG2 GLU A 3 16.314 2.686 0.899 1.00 44.41 H new ATOM 0 HG3 GLU A 3 15.903 1.556 2.175 1.00 44.41 H new ATOM 34 N ASN A 4 14.058 0.312 0.138 1.00 63.11 N ATOM 35 CA ASN A 4 12.757 0.066 0.758 1.00 62.53 C ATOM 36 C ASN A 4 12.363 -1.382 0.524 1.00 21.34 C ATOM 37 O ASN A 4 11.857 -2.025 1.435 1.00 71.15 O ATOM 38 CB ASN A 4 11.630 0.968 0.227 1.00 22.15 C ATOM 39 CG ASN A 4 12.075 2.392 -0.028 1.00 5.42 C ATOM 40 OD1 ASN A 4 12.153 3.214 0.882 1.00 53.11 O ATOM 41 ND2 ASN A 4 12.399 2.680 -1.276 1.00 44.30 N ATOM 0 H ASN A 4 14.060 1.051 -0.565 1.00 63.11 H new ATOM 0 HA ASN A 4 12.874 0.294 1.817 1.00 62.53 H new ATOM 0 HB2 ASN A 4 11.241 0.545 -0.699 1.00 22.15 H new ATOM 0 HB3 ASN A 4 10.810 0.974 0.945 1.00 22.15 H new ATOM 0 HD21 ASN A 4 12.729 3.615 -1.514 1.00 44.30 H new ATOM 0 HD22 ASN A 4 12.319 1.967 -2.001 1.00 44.30 H new ATOM 48 N PHE A 5 12.618 -1.893 -0.683 1.00 45.31 N ATOM 49 CA PHE A 5 12.236 -3.225 -1.118 1.00 33.31 C ATOM 50 C PHE A 5 12.539 -4.293 -0.069 1.00 64.33 C ATOM 51 O PHE A 5 11.648 -5.054 0.302 1.00 54.14 O ATOM 52 CB PHE A 5 12.951 -3.547 -2.431 1.00 71.21 C ATOM 53 CG PHE A 5 12.581 -4.904 -2.989 1.00 44.24 C ATOM 54 CD1 PHE A 5 11.253 -5.166 -3.370 1.00 32.11 C ATOM 55 CD2 PHE A 5 13.551 -5.921 -3.077 1.00 1.10 C ATOM 56 CE1 PHE A 5 10.903 -6.442 -3.838 1.00 44.35 C ATOM 57 CE2 PHE A 5 13.197 -7.190 -3.564 1.00 73.42 C ATOM 58 CZ PHE A 5 11.873 -7.445 -3.961 1.00 4.23 C ATOM 0 H PHE A 5 13.113 -1.367 -1.403 1.00 45.31 H new ATOM 0 HA PHE A 5 11.156 -3.234 -1.267 1.00 33.31 H new ATOM 0 HB2 PHE A 5 12.710 -2.780 -3.167 1.00 71.21 H new ATOM 0 HB3 PHE A 5 14.028 -3.508 -2.271 1.00 71.21 H new ATOM 0 HD1 PHE A 5 10.506 -4.389 -3.303 1.00 32.11 H new ATOM 0 HD2 PHE A 5 14.568 -5.725 -2.770 1.00 1.10 H new ATOM 0 HE1 PHE A 5 9.878 -6.652 -4.105 1.00 44.35 H new ATOM 0 HE2 PHE A 5 13.942 -7.969 -3.633 1.00 73.42 H new ATOM 0 HZ PHE A 5 11.604 -8.412 -4.360 1.00 4.23 H new ATOM 68 N GLN A 6 13.783 -4.358 0.411 1.00 71.15 N ATOM 69 CA GLN A 6 14.157 -5.385 1.375 1.00 72.43 C ATOM 70 C GLN A 6 13.415 -5.206 2.709 1.00 25.42 C ATOM 71 O GLN A 6 12.949 -6.195 3.275 1.00 52.14 O ATOM 72 CB GLN A 6 15.685 -5.441 1.540 1.00 54.21 C ATOM 73 CG GLN A 6 16.130 -6.602 2.445 1.00 30.10 C ATOM 74 CD GLN A 6 15.694 -7.965 1.909 1.00 54.14 C ATOM 75 OE1 GLN A 6 16.340 -8.541 1.034 1.00 41.23 O ATOM 76 NE2 GLN A 6 14.564 -8.475 2.371 1.00 41.45 N ATOM 0 H GLN A 6 14.535 -3.720 0.151 1.00 71.15 H new ATOM 0 HA GLN A 6 13.843 -6.354 0.987 1.00 72.43 H new ATOM 0 HB2 GLN A 6 16.151 -5.547 0.560 1.00 54.21 H new ATOM 0 HB3 GLN A 6 16.038 -4.499 1.960 1.00 54.21 H new ATOM 0 HG2 GLN A 6 17.215 -6.585 2.544 1.00 30.10 H new ATOM 0 HG3 GLN A 6 15.716 -6.459 3.443 1.00 30.10 H new ATOM 0 HE21 GLN A 6 14.042 -7.984 3.096 1.00 41.45 H new ATOM 0 HE22 GLN A 6 14.215 -9.359 2.002 1.00 41.45 H new ATOM 85 N THR A 7 13.275 -3.975 3.198 1.00 43.04 N ATOM 86 CA THR A 7 12.565 -3.677 4.440 1.00 61.45 C ATOM 87 C THR A 7 11.067 -4.003 4.304 1.00 63.23 C ATOM 88 O THR A 7 10.412 -4.400 5.268 1.00 42.31 O ATOM 89 CB THR A 7 12.816 -2.200 4.797 1.00 54.42 C ATOM 90 OG1 THR A 7 14.180 -1.870 4.561 1.00 71.32 O ATOM 91 CG2 THR A 7 12.551 -1.899 6.270 1.00 41.13 C ATOM 0 H THR A 7 13.655 -3.148 2.738 1.00 43.04 H new ATOM 0 HA THR A 7 12.938 -4.301 5.252 1.00 61.45 H new ATOM 0 HB THR A 7 12.134 -1.619 4.175 1.00 54.42 H new ATOM 0 HG1 THR A 7 14.333 -0.929 4.788 1.00 71.32 H new ATOM 0 HG21 THR A 7 12.744 -0.844 6.466 1.00 41.13 H new ATOM 0 HG22 THR A 7 11.512 -2.128 6.507 1.00 41.13 H new ATOM 0 HG23 THR A 7 13.208 -2.509 6.890 1.00 41.13 H new ATOM 99 N LEU A 8 10.503 -3.864 3.104 1.00 24.41 N ATOM 100 CA LEU A 8 9.130 -4.241 2.799 1.00 2.34 C ATOM 101 C LEU A 8 8.980 -5.765 2.825 1.00 32.25 C ATOM 102 O LEU A 8 7.973 -6.259 3.333 1.00 2.25 O ATOM 103 CB LEU A 8 8.743 -3.699 1.419 1.00 43.21 C ATOM 104 CG LEU A 8 8.205 -2.252 1.326 1.00 70.12 C ATOM 105 CD1 LEU A 8 8.781 -1.205 2.288 1.00 70.10 C ATOM 106 CD2 LEU A 8 8.468 -1.742 -0.097 1.00 52.43 C ATOM 0 H LEU A 8 11.002 -3.478 2.303 1.00 24.41 H new ATOM 0 HA LEU A 8 8.468 -3.814 3.552 1.00 2.34 H new ATOM 0 HB2 LEU A 8 9.620 -3.770 0.776 1.00 43.21 H new ATOM 0 HB3 LEU A 8 7.986 -4.363 1.001 1.00 43.21 H new ATOM 0 HG LEU A 8 7.156 -2.345 1.608 1.00 70.12 H new ATOM 0 HD11 LEU A 8 8.307 -0.241 2.103 1.00 70.10 H new ATOM 0 HD12 LEU A 8 8.590 -1.512 3.316 1.00 70.10 H new ATOM 0 HD13 LEU A 8 9.856 -1.117 2.129 1.00 70.10 H new ATOM 0 HD21 LEU A 8 8.098 -0.721 -0.192 1.00 52.43 H new ATOM 0 HD22 LEU A 8 9.539 -1.760 -0.298 1.00 52.43 H new ATOM 0 HD23 LEU A 8 7.954 -2.382 -0.814 1.00 52.43 H new ATOM 118 N LEU A 9 9.952 -6.522 2.299 1.00 62.34 N ATOM 119 CA LEU A 9 9.924 -7.990 2.340 1.00 25.24 C ATOM 120 C LEU A 9 9.942 -8.513 3.777 1.00 32.42 C ATOM 121 O LEU A 9 9.517 -9.645 4.014 1.00 14.20 O ATOM 122 CB LEU A 9 11.121 -8.615 1.584 1.00 52.05 C ATOM 123 CG LEU A 9 10.880 -9.084 0.139 1.00 23.12 C ATOM 124 CD1 LEU A 9 9.606 -9.911 -0.057 1.00 51.03 C ATOM 125 CD2 LEU A 9 10.870 -7.906 -0.822 1.00 25.31 C ATOM 0 H LEU A 9 10.775 -6.137 1.836 1.00 62.34 H new ATOM 0 HA LEU A 9 8.995 -8.283 1.851 1.00 25.24 H new ATOM 0 HB2 LEU A 9 11.929 -7.884 1.570 1.00 52.05 H new ATOM 0 HB3 LEU A 9 11.474 -9.470 2.161 1.00 52.05 H new ATOM 0 HG LEU A 9 11.717 -9.747 -0.081 1.00 23.12 H new ATOM 0 HD11 LEU A 9 9.516 -10.199 -1.105 1.00 51.03 H new ATOM 0 HD12 LEU A 9 9.655 -10.807 0.562 1.00 51.03 H new ATOM 0 HD13 LEU A 9 8.739 -9.317 0.232 1.00 51.03 H new ATOM 0 HD21 LEU A 9 10.698 -8.266 -1.836 1.00 25.31 H new ATOM 0 HD22 LEU A 9 10.075 -7.215 -0.542 1.00 25.31 H new ATOM 0 HD23 LEU A 9 11.830 -7.392 -0.777 1.00 25.31 H new ATOM 137 N ASP A 10 10.443 -7.730 4.733 1.00 45.13 N ATOM 138 CA ASP A 10 10.449 -8.122 6.145 1.00 32.12 C ATOM 139 C ASP A 10 9.108 -7.827 6.818 1.00 53.02 C ATOM 140 O ASP A 10 8.782 -8.388 7.865 1.00 32.41 O ATOM 141 CB ASP A 10 11.553 -7.386 6.906 1.00 33.32 C ATOM 142 CG ASP A 10 11.804 -8.064 8.256 1.00 3.41 C ATOM 143 OD1 ASP A 10 12.653 -8.981 8.300 1.00 10.44 O ATOM 144 OD2 ASP A 10 11.175 -7.699 9.276 1.00 22.52 O ATOM 0 H ASP A 10 10.853 -6.813 4.554 1.00 45.13 H new ATOM 0 HA ASP A 10 10.631 -9.196 6.175 1.00 32.12 H new ATOM 0 HB2 ASP A 10 12.470 -7.381 6.317 1.00 33.32 H new ATOM 0 HB3 ASP A 10 11.267 -6.345 7.060 1.00 33.32 H new ATOM 149 N ALA A 11 8.293 -6.952 6.225 1.00 51.32 N ATOM 150 CA ALA A 11 7.193 -6.293 6.913 1.00 1.41 C ATOM 151 C ALA A 11 5.967 -7.196 7.070 1.00 11.15 C ATOM 152 O ALA A 11 4.949 -6.771 7.618 1.00 43.13 O ATOM 153 CB ALA A 11 6.828 -4.998 6.182 1.00 43.21 C ATOM 0 H ALA A 11 8.383 -6.682 5.245 1.00 51.32 H new ATOM 0 HA ALA A 11 7.531 -6.058 7.923 1.00 1.41 H new ATOM 0 HB1 ALA A 11 6.004 -4.508 6.700 1.00 43.21 H new ATOM 0 HB2 ALA A 11 7.692 -4.334 6.165 1.00 43.21 H new ATOM 0 HB3 ALA A 11 6.528 -5.229 5.160 1.00 43.21 H new ATOM 159 N GLY A 12 6.045 -8.428 6.569 1.00 30.53 N ATOM 160 CA GLY A 12 4.930 -9.349 6.482 1.00 54.42 C ATOM 161 C GLY A 12 4.369 -9.435 5.063 1.00 25.25 C ATOM 162 O GLY A 12 3.313 -10.027 4.865 1.00 22.43 O ATOM 0 H GLY A 12 6.914 -8.817 6.204 1.00 30.53 H new ATOM 0 HA2 GLY A 12 5.251 -10.339 6.806 1.00 54.42 H new ATOM 0 HA3 GLY A 12 4.142 -9.030 7.165 1.00 54.42 H new ATOM 166 N LEU A 13 5.022 -8.806 4.079 1.00 43.40 N ATOM 167 CA LEU A 13 4.497 -8.693 2.723 1.00 24.25 C ATOM 168 C LEU A 13 5.079 -9.801 1.841 1.00 12.43 C ATOM 169 O LEU A 13 6.263 -10.128 1.976 1.00 33.31 O ATOM 170 CB LEU A 13 4.855 -7.324 2.121 1.00 74.13 C ATOM 171 CG LEU A 13 4.357 -6.111 2.930 1.00 51.33 C ATOM 172 CD1 LEU A 13 4.867 -4.834 2.256 1.00 50.41 C ATOM 173 CD2 LEU A 13 2.826 -6.066 3.053 1.00 3.03 C ATOM 0 H LEU A 13 5.931 -8.362 4.206 1.00 43.40 H new ATOM 0 HA LEU A 13 3.412 -8.792 2.765 1.00 24.25 H new ATOM 0 HB2 LEU A 13 5.939 -7.258 2.024 1.00 74.13 H new ATOM 0 HB3 LEU A 13 4.441 -7.266 1.114 1.00 74.13 H new ATOM 0 HG LEU A 13 4.747 -6.198 3.944 1.00 51.33 H new ATOM 0 HD11 LEU A 13 4.523 -3.965 2.816 1.00 50.41 H new ATOM 0 HD12 LEU A 13 5.957 -4.844 2.235 1.00 50.41 H new ATOM 0 HD13 LEU A 13 4.485 -4.783 1.237 1.00 50.41 H new ATOM 0 HD21 LEU A 13 2.533 -5.191 3.633 1.00 3.03 H new ATOM 0 HD22 LEU A 13 2.383 -6.008 2.059 1.00 3.03 H new ATOM 0 HD23 LEU A 13 2.475 -6.968 3.555 1.00 3.03 H new ATOM 185 N PRO A 14 4.308 -10.342 0.882 1.00 54.30 N ATOM 186 CA PRO A 14 4.856 -11.201 -0.160 1.00 33.45 C ATOM 187 C PRO A 14 5.742 -10.385 -1.108 1.00 22.13 C ATOM 188 O PRO A 14 5.598 -9.159 -1.211 1.00 61.40 O ATOM 189 CB PRO A 14 3.639 -11.774 -0.889 1.00 21.53 C ATOM 190 CG PRO A 14 2.558 -10.728 -0.680 1.00 41.12 C ATOM 191 CD PRO A 14 2.880 -10.133 0.687 1.00 53.30 C ATOM 0 HA PRO A 14 5.486 -11.994 0.243 1.00 33.45 H new ATOM 0 HB2 PRO A 14 3.845 -11.929 -1.948 1.00 21.53 H new ATOM 0 HB3 PRO A 14 3.345 -12.739 -0.477 1.00 21.53 H new ATOM 0 HG2 PRO A 14 2.581 -9.968 -1.461 1.00 41.12 H new ATOM 0 HG3 PRO A 14 1.563 -11.173 -0.697 1.00 41.12 H new ATOM 0 HD2 PRO A 14 2.632 -9.072 0.721 1.00 53.30 H new ATOM 0 HD3 PRO A 14 2.302 -10.621 1.472 1.00 53.30 H new ATOM 199 N GLN A 15 6.582 -11.068 -1.896 1.00 73.30 N ATOM 200 CA GLN A 15 7.455 -10.441 -2.877 1.00 21.33 C ATOM 201 C GLN A 15 6.598 -9.649 -3.838 1.00 62.32 C ATOM 202 O GLN A 15 6.900 -8.493 -4.122 1.00 52.41 O ATOM 203 CB GLN A 15 8.279 -11.508 -3.619 1.00 73.44 C ATOM 204 CG GLN A 15 8.977 -10.954 -4.874 1.00 54.31 C ATOM 205 CD GLN A 15 9.856 -12.007 -5.529 1.00 41.32 C ATOM 206 OE1 GLN A 15 9.413 -12.769 -6.381 1.00 21.51 O ATOM 207 NE2 GLN A 15 11.119 -12.083 -5.162 1.00 65.53 N ATOM 0 H GLN A 15 6.670 -12.084 -1.864 1.00 73.30 H new ATOM 0 HA GLN A 15 8.159 -9.772 -2.382 1.00 21.33 H new ATOM 0 HB2 GLN A 15 9.029 -11.917 -2.942 1.00 73.44 H new ATOM 0 HB3 GLN A 15 7.625 -12.332 -3.906 1.00 73.44 H new ATOM 0 HG2 GLN A 15 8.228 -10.609 -5.586 1.00 54.31 H new ATOM 0 HG3 GLN A 15 9.583 -10.089 -4.604 1.00 54.31 H new ATOM 0 HE21 GLN A 15 11.483 -11.447 -4.453 1.00 65.53 H new ATOM 0 HE22 GLN A 15 11.733 -12.778 -5.587 1.00 65.53 H new ATOM 216 N LYS A 16 5.531 -10.270 -4.345 1.00 21.34 N ATOM 217 CA LYS A 16 4.779 -9.699 -5.435 1.00 62.54 C ATOM 218 C LYS A 16 4.178 -8.335 -5.093 1.00 1.21 C ATOM 219 O LYS A 16 4.018 -7.506 -5.983 1.00 64.24 O ATOM 220 CB LYS A 16 3.704 -10.715 -5.844 1.00 11.32 C ATOM 221 CG LYS A 16 3.659 -10.974 -7.347 1.00 23.21 C ATOM 222 CD LYS A 16 2.869 -9.922 -8.127 1.00 75.21 C ATOM 223 CE LYS A 16 3.765 -8.985 -8.927 1.00 55.13 C ATOM 224 NZ LYS A 16 2.993 -8.100 -9.827 1.00 51.22 N ATOM 0 H LYS A 16 5.178 -11.167 -4.010 1.00 21.34 H new ATOM 0 HA LYS A 16 5.450 -9.504 -6.271 1.00 62.54 H new ATOM 0 HB2 LYS A 16 3.887 -11.656 -5.326 1.00 11.32 H new ATOM 0 HB3 LYS A 16 2.729 -10.355 -5.515 1.00 11.32 H new ATOM 0 HG2 LYS A 16 4.678 -11.010 -7.732 1.00 23.21 H new ATOM 0 HG3 LYS A 16 3.217 -11.954 -7.525 1.00 23.21 H new ATOM 0 HD2 LYS A 16 2.177 -10.422 -8.805 1.00 75.21 H new ATOM 0 HD3 LYS A 16 2.267 -9.337 -7.432 1.00 75.21 H new ATOM 0 HE2 LYS A 16 4.355 -8.377 -8.241 1.00 55.13 H new ATOM 0 HE3 LYS A 16 4.468 -9.574 -9.516 1.00 55.13 H new ATOM 0 HZ1 LYS A 16 3.625 -7.709 -10.555 1.00 51.22 H new ATOM 0 HZ2 LYS A 16 2.235 -8.646 -10.284 1.00 51.22 H new ATOM 0 HZ3 LYS A 16 2.576 -7.323 -9.276 1.00 51.22 H new ATOM 238 N VAL A 17 3.830 -8.120 -3.824 1.00 42.22 N ATOM 239 CA VAL A 17 3.304 -6.868 -3.296 1.00 71.40 C ATOM 240 C VAL A 17 4.478 -5.918 -3.030 1.00 34.52 C ATOM 241 O VAL A 17 4.460 -4.785 -3.513 1.00 21.24 O ATOM 242 CB VAL A 17 2.462 -7.191 -2.039 1.00 71.50 C ATOM 243 CG1 VAL A 17 1.996 -5.973 -1.235 1.00 64.31 C ATOM 244 CG2 VAL A 17 1.210 -7.993 -2.444 1.00 11.42 C ATOM 0 H VAL A 17 3.911 -8.844 -3.110 1.00 42.22 H new ATOM 0 HA VAL A 17 2.646 -6.361 -4.001 1.00 71.40 H new ATOM 0 HB VAL A 17 3.133 -7.758 -1.394 1.00 71.50 H new ATOM 0 HG11 VAL A 17 1.414 -6.305 -0.375 1.00 64.31 H new ATOM 0 HG12 VAL A 17 2.864 -5.411 -0.891 1.00 64.31 H new ATOM 0 HG13 VAL A 17 1.378 -5.335 -1.867 1.00 64.31 H new ATOM 0 HG21 VAL A 17 0.619 -8.219 -1.556 1.00 11.42 H new ATOM 0 HG22 VAL A 17 0.610 -7.405 -3.139 1.00 11.42 H new ATOM 0 HG23 VAL A 17 1.513 -8.923 -2.924 1.00 11.42 H new ATOM 254 N ALA A 18 5.507 -6.368 -2.299 1.00 51.22 N ATOM 255 CA ALA A 18 6.652 -5.540 -1.925 1.00 73.53 C ATOM 256 C ALA A 18 7.345 -4.932 -3.150 1.00 34.52 C ATOM 257 O ALA A 18 7.724 -3.762 -3.126 1.00 24.53 O ATOM 258 CB ALA A 18 7.640 -6.375 -1.115 1.00 24.24 C ATOM 0 H ALA A 18 5.565 -7.325 -1.950 1.00 51.22 H new ATOM 0 HA ALA A 18 6.287 -4.711 -1.319 1.00 73.53 H new ATOM 0 HB1 ALA A 18 8.494 -5.758 -0.836 1.00 24.24 H new ATOM 0 HB2 ALA A 18 7.150 -6.746 -0.215 1.00 24.24 H new ATOM 0 HB3 ALA A 18 7.982 -7.218 -1.716 1.00 24.24 H new ATOM 264 N GLU A 19 7.449 -5.703 -4.236 1.00 31.31 N ATOM 265 CA GLU A 19 8.005 -5.296 -5.521 1.00 65.23 C ATOM 266 C GLU A 19 7.387 -3.982 -5.992 1.00 12.35 C ATOM 267 O GLU A 19 8.094 -3.079 -6.439 1.00 42.00 O ATOM 268 CB GLU A 19 7.706 -6.404 -6.552 1.00 75.31 C ATOM 269 CG GLU A 19 8.875 -7.330 -6.924 1.00 20.21 C ATOM 270 CD GLU A 19 9.207 -7.136 -8.407 1.00 72.35 C ATOM 271 OE1 GLU A 19 8.383 -7.554 -9.260 1.00 21.44 O ATOM 272 OE2 GLU A 19 10.208 -6.464 -8.732 1.00 62.22 O ATOM 0 H GLU A 19 7.132 -6.672 -4.239 1.00 31.31 H new ATOM 0 HA GLU A 19 9.080 -5.146 -5.416 1.00 65.23 H new ATOM 0 HB2 GLU A 19 6.894 -7.019 -6.165 1.00 75.31 H new ATOM 0 HB3 GLU A 19 7.342 -5.932 -7.464 1.00 75.31 H new ATOM 0 HG2 GLU A 19 9.746 -7.103 -6.310 1.00 20.21 H new ATOM 0 HG3 GLU A 19 8.610 -8.369 -6.730 1.00 20.21 H new ATOM 279 N LYS A 20 6.055 -3.907 -5.933 1.00 64.24 N ATOM 280 CA LYS A 20 5.269 -2.779 -6.413 1.00 34.54 C ATOM 281 C LYS A 20 5.235 -1.669 -5.367 1.00 34.14 C ATOM 282 O LYS A 20 5.123 -0.506 -5.736 1.00 22.53 O ATOM 283 CB LYS A 20 3.840 -3.257 -6.728 1.00 15.43 C ATOM 284 CG LYS A 20 3.638 -3.920 -8.100 1.00 44.41 C ATOM 285 CD LYS A 20 4.542 -5.120 -8.437 1.00 72.54 C ATOM 286 CE LYS A 20 5.761 -4.660 -9.247 1.00 2.32 C ATOM 287 NZ LYS A 20 6.411 -5.725 -10.051 1.00 55.24 N ATOM 0 H LYS A 20 5.482 -4.653 -5.538 1.00 64.24 H new ATOM 0 HA LYS A 20 5.728 -2.380 -7.318 1.00 34.54 H new ATOM 0 HB2 LYS A 20 3.537 -3.965 -5.957 1.00 15.43 H new ATOM 0 HB3 LYS A 20 3.168 -2.401 -6.658 1.00 15.43 H new ATOM 0 HG2 LYS A 20 2.601 -4.248 -8.168 1.00 44.41 H new ATOM 0 HG3 LYS A 20 3.783 -3.160 -8.868 1.00 44.41 H new ATOM 0 HD2 LYS A 20 4.870 -5.606 -7.518 1.00 72.54 H new ATOM 0 HD3 LYS A 20 3.978 -5.860 -9.005 1.00 72.54 H new ATOM 0 HE2 LYS A 20 5.453 -3.856 -9.916 1.00 2.32 H new ATOM 0 HE3 LYS A 20 6.498 -4.240 -8.562 1.00 2.32 H new ATOM 0 HZ1 LYS A 20 6.900 -5.297 -10.863 1.00 55.24 H new ATOM 0 HZ2 LYS A 20 7.100 -6.234 -9.461 1.00 55.24 H new ATOM 0 HZ3 LYS A 20 5.689 -6.391 -10.393 1.00 55.24 H new ATOM 301 N LEU A 21 5.328 -1.984 -4.074 1.00 44.34 N ATOM 302 CA LEU A 21 5.351 -0.970 -3.024 1.00 44.00 C ATOM 303 C LEU A 21 6.609 -0.126 -3.098 1.00 50.20 C ATOM 304 O LEU A 21 6.503 1.088 -2.977 1.00 22.44 O ATOM 305 CB LEU A 21 5.207 -1.616 -1.631 1.00 62.10 C ATOM 306 CG LEU A 21 3.863 -1.282 -0.963 1.00 1.12 C ATOM 307 CD1 LEU A 21 3.049 -2.550 -0.708 1.00 30.52 C ATOM 308 CD2 LEU A 21 3.995 -0.496 0.322 1.00 41.14 C ATOM 0 H LEU A 21 5.389 -2.942 -3.729 1.00 44.34 H new ATOM 0 HA LEU A 21 4.498 -0.310 -3.184 1.00 44.00 H new ATOM 0 HB2 LEU A 21 5.304 -2.698 -1.724 1.00 62.10 H new ATOM 0 HB3 LEU A 21 6.021 -1.277 -0.991 1.00 62.10 H new ATOM 0 HG LEU A 21 3.341 -0.640 -1.672 1.00 1.12 H new ATOM 0 HD11 LEU A 21 2.103 -2.286 -0.235 1.00 30.52 H new ATOM 0 HD12 LEU A 21 2.853 -3.053 -1.655 1.00 30.52 H new ATOM 0 HD13 LEU A 21 3.609 -3.216 -0.052 1.00 30.52 H new ATOM 0 HD21 LEU A 21 3.004 -0.300 0.732 1.00 41.14 H new ATOM 0 HD22 LEU A 21 4.578 -1.071 1.042 1.00 41.14 H new ATOM 0 HD23 LEU A 21 4.498 0.450 0.120 1.00 41.14 H new ATOM 320 N ASP A 22 7.771 -0.739 -3.324 1.00 12.31 N ATOM 321 CA ASP A 22 9.079 -0.072 -3.294 1.00 43.12 C ATOM 322 C ASP A 22 9.083 1.182 -4.165 1.00 43.14 C ATOM 323 O ASP A 22 9.528 2.243 -3.744 1.00 11.34 O ATOM 324 CB ASP A 22 10.162 -1.053 -3.739 1.00 12.05 C ATOM 325 CG ASP A 22 11.519 -0.394 -4.027 1.00 64.52 C ATOM 326 OD1 ASP A 22 12.056 0.334 -3.160 1.00 64.24 O ATOM 327 OD2 ASP A 22 12.054 -0.703 -5.122 1.00 5.30 O ATOM 0 H ASP A 22 7.834 -1.734 -3.538 1.00 12.31 H new ATOM 0 HA ASP A 22 9.286 0.247 -2.272 1.00 43.12 H new ATOM 0 HB2 ASP A 22 10.293 -1.809 -2.965 1.00 12.05 H new ATOM 0 HB3 ASP A 22 9.823 -1.571 -4.636 1.00 12.05 H new ATOM 332 N GLU A 23 8.467 1.094 -5.343 1.00 45.01 N ATOM 333 CA GLU A 23 8.292 2.134 -6.322 1.00 23.15 C ATOM 334 C GLU A 23 7.655 3.400 -5.734 1.00 22.24 C ATOM 335 O GLU A 23 7.978 4.518 -6.136 1.00 2.03 O ATOM 336 CB GLU A 23 7.381 1.482 -7.364 1.00 23.51 C ATOM 337 CG GLU A 23 6.835 2.501 -8.343 1.00 63.13 C ATOM 338 CD GLU A 23 6.143 1.913 -9.566 1.00 33.51 C ATOM 339 OE1 GLU A 23 5.462 0.868 -9.445 1.00 75.20 O ATOM 340 OE2 GLU A 23 6.232 2.565 -10.630 1.00 15.02 O ATOM 0 H GLU A 23 8.048 0.216 -5.650 1.00 45.01 H new ATOM 0 HA GLU A 23 9.242 2.480 -6.731 1.00 23.15 H new ATOM 0 HB2 GLU A 23 7.937 0.717 -7.906 1.00 23.51 H new ATOM 0 HB3 GLU A 23 6.554 0.980 -6.862 1.00 23.51 H new ATOM 0 HG2 GLU A 23 6.128 3.144 -7.818 1.00 63.13 H new ATOM 0 HG3 GLU A 23 7.655 3.136 -8.678 1.00 63.13 H new ATOM 347 N ILE A 24 6.721 3.244 -4.801 1.00 13.02 N ATOM 348 CA ILE A 24 5.938 4.336 -4.239 1.00 25.42 C ATOM 349 C ILE A 24 6.831 5.137 -3.278 1.00 43.14 C ATOM 350 O ILE A 24 6.534 6.286 -2.949 1.00 63.54 O ATOM 351 CB ILE A 24 4.665 3.744 -3.584 1.00 25.31 C ATOM 352 CG1 ILE A 24 3.983 2.713 -4.529 1.00 53.21 C ATOM 353 CG2 ILE A 24 3.643 4.813 -3.207 1.00 10.04 C ATOM 354 CD1 ILE A 24 2.822 1.916 -3.942 1.00 24.11 C ATOM 0 H ILE A 24 6.483 2.334 -4.407 1.00 13.02 H new ATOM 0 HA ILE A 24 5.597 5.038 -5.000 1.00 25.42 H new ATOM 0 HB ILE A 24 4.999 3.254 -2.670 1.00 25.31 H new ATOM 0 HG12 ILE A 24 3.622 3.244 -5.409 1.00 53.21 H new ATOM 0 HG13 ILE A 24 4.742 2.009 -4.871 1.00 53.21 H new ATOM 0 HG21 ILE A 24 2.772 4.340 -2.753 1.00 10.04 H new ATOM 0 HG22 ILE A 24 4.090 5.509 -2.497 1.00 10.04 H new ATOM 0 HG23 ILE A 24 3.336 5.354 -4.102 1.00 10.04 H new ATOM 0 HD11 ILE A 24 2.432 1.233 -4.696 1.00 24.11 H new ATOM 0 HD12 ILE A 24 3.171 1.345 -3.081 1.00 24.11 H new ATOM 0 HD13 ILE A 24 2.033 2.600 -3.629 1.00 24.11 H new ATOM 366 N TYR A 25 7.983 4.584 -2.900 1.00 71.11 N ATOM 367 CA TYR A 25 8.975 5.196 -2.034 1.00 50.42 C ATOM 368 C TYR A 25 10.154 5.782 -2.829 1.00 33.34 C ATOM 369 O TYR A 25 10.965 6.525 -2.271 1.00 51.33 O ATOM 370 CB TYR A 25 9.369 4.162 -0.981 1.00 10.33 C ATOM 371 CG TYR A 25 8.152 3.606 -0.262 1.00 10.11 C ATOM 372 CD1 TYR A 25 7.361 4.468 0.506 1.00 10.41 C ATOM 373 CD2 TYR A 25 7.718 2.287 -0.476 1.00 33.42 C ATOM 374 CE1 TYR A 25 6.207 4.002 1.151 1.00 22.53 C ATOM 375 CE2 TYR A 25 6.524 1.820 0.108 1.00 72.14 C ATOM 376 CZ TYR A 25 5.795 2.668 0.978 1.00 63.31 C ATOM 377 OH TYR A 25 4.703 2.216 1.651 1.00 72.50 O ATOM 0 H TYR A 25 8.258 3.651 -3.208 1.00 71.11 H new ATOM 0 HA TYR A 25 8.562 6.064 -1.521 1.00 50.42 H new ATOM 0 HB2 TYR A 25 9.915 3.347 -1.456 1.00 10.33 H new ATOM 0 HB3 TYR A 25 10.044 4.618 -0.257 1.00 10.33 H new ATOM 0 HD1 TYR A 25 7.643 5.506 0.603 1.00 10.41 H new ATOM 0 HD2 TYR A 25 8.306 1.625 -1.094 1.00 33.42 H new ATOM 0 HE1 TYR A 25 5.634 4.667 1.781 1.00 22.53 H new ATOM 0 HE2 TYR A 25 6.167 0.823 -0.106 1.00 72.14 H new ATOM 0 HH TYR A 25 4.079 2.957 1.797 1.00 72.50 H new ATOM 387 N VAL A 26 10.227 5.511 -4.136 1.00 62.43 N ATOM 388 CA VAL A 26 11.228 6.047 -5.061 1.00 51.00 C ATOM 389 C VAL A 26 10.890 7.492 -5.474 1.00 0.13 C ATOM 390 O VAL A 26 11.799 8.287 -5.703 1.00 3.12 O ATOM 391 CB VAL A 26 11.311 5.099 -6.285 1.00 60.12 C ATOM 392 CG1 VAL A 26 12.220 5.556 -7.426 1.00 74.24 C ATOM 393 CG2 VAL A 26 11.812 3.698 -5.895 1.00 44.22 C ATOM 0 H VAL A 26 9.564 4.887 -4.596 1.00 62.43 H new ATOM 0 HA VAL A 26 12.201 6.092 -4.573 1.00 51.00 H new ATOM 0 HB VAL A 26 10.280 5.100 -6.638 1.00 60.12 H new ATOM 0 HG11 VAL A 26 12.200 4.816 -8.226 1.00 74.24 H new ATOM 0 HG12 VAL A 26 11.869 6.514 -7.809 1.00 74.24 H new ATOM 0 HG13 VAL A 26 13.240 5.664 -7.058 1.00 74.24 H new ATOM 0 HG21 VAL A 26 11.855 3.067 -6.783 1.00 44.22 H new ATOM 0 HG22 VAL A 26 12.807 3.776 -5.457 1.00 44.22 H new ATOM 0 HG23 VAL A 26 11.130 3.257 -5.169 1.00 44.22 H new ATOM 403 N ALA A 27 9.607 7.841 -5.607 1.00 32.21 N ATOM 404 CA ALA A 27 9.170 9.022 -6.354 1.00 43.44 C ATOM 405 C ALA A 27 9.215 10.328 -5.550 1.00 15.12 C ATOM 406 O ALA A 27 8.856 11.385 -6.071 1.00 51.24 O ATOM 407 CB ALA A 27 7.748 8.763 -6.870 1.00 35.34 C ATOM 0 H ALA A 27 8.839 7.309 -5.197 1.00 32.21 H new ATOM 0 HA ALA A 27 9.873 9.168 -7.174 1.00 43.44 H new ATOM 0 HB1 ALA A 27 7.401 9.631 -7.431 1.00 35.34 H new ATOM 0 HB2 ALA A 27 7.751 7.888 -7.520 1.00 35.34 H new ATOM 0 HB3 ALA A 27 7.081 8.586 -6.026 1.00 35.34 H new ATOM 413 N GLY A 28 9.557 10.270 -4.263 1.00 10.01 N ATOM 414 CA GLY A 28 9.296 11.373 -3.349 1.00 74.44 C ATOM 415 C GLY A 28 7.792 11.620 -3.183 1.00 10.43 C ATOM 416 O GLY A 28 7.384 12.770 -2.998 1.00 51.14 O ATOM 0 H GLY A 28 10.016 9.467 -3.833 1.00 10.01 H new ATOM 0 HA2 GLY A 28 9.740 11.155 -2.378 1.00 74.44 H new ATOM 0 HA3 GLY A 28 9.776 12.278 -3.722 1.00 74.44 H new ATOM 420 N LEU A 29 6.989 10.561 -3.336 1.00 5.14 N ATOM 421 CA LEU A 29 5.613 10.408 -2.905 1.00 1.02 C ATOM 422 C LEU A 29 5.665 10.290 -1.385 1.00 74.51 C ATOM 423 O LEU A 29 5.510 11.288 -0.679 1.00 70.11 O ATOM 424 CB LEU A 29 5.019 9.144 -3.590 1.00 65.44 C ATOM 425 CG LEU A 29 4.247 9.434 -4.885 1.00 31.11 C ATOM 426 CD1 LEU A 29 3.698 8.108 -5.423 1.00 52.12 C ATOM 427 CD2 LEU A 29 3.092 10.413 -4.683 1.00 73.14 C ATOM 0 H LEU A 29 7.324 9.721 -3.807 1.00 5.14 H new ATOM 0 HA LEU A 29 4.972 11.245 -3.181 1.00 1.02 H new ATOM 0 HB2 LEU A 29 5.830 8.450 -3.811 1.00 65.44 H new ATOM 0 HB3 LEU A 29 4.353 8.643 -2.888 1.00 65.44 H new ATOM 0 HG LEU A 29 4.936 9.900 -5.589 1.00 31.11 H new ATOM 0 HD11 LEU A 29 3.145 8.290 -6.344 1.00 52.12 H new ATOM 0 HD12 LEU A 29 4.525 7.427 -5.625 1.00 52.12 H new ATOM 0 HD13 LEU A 29 3.033 7.662 -4.683 1.00 52.12 H new ATOM 0 HD21 LEU A 29 2.585 10.578 -5.633 1.00 73.14 H new ATOM 0 HD22 LEU A 29 2.387 10.000 -3.962 1.00 73.14 H new ATOM 0 HD23 LEU A 29 3.479 11.361 -4.309 1.00 73.14 H new ATOM 439 N VAL A 30 5.953 9.084 -0.890 1.00 30.33 N ATOM 440 CA VAL A 30 6.057 8.796 0.545 1.00 34.13 C ATOM 441 C VAL A 30 7.415 8.169 0.896 1.00 21.31 C ATOM 442 O VAL A 30 8.223 7.915 -0.003 1.00 45.41 O ATOM 443 CB VAL A 30 4.840 7.952 0.988 1.00 71.12 C ATOM 444 CG1 VAL A 30 3.596 8.837 1.106 1.00 31.41 C ATOM 445 CG2 VAL A 30 4.506 6.797 0.034 1.00 45.41 C ATOM 0 H VAL A 30 6.123 8.270 -1.480 1.00 30.33 H new ATOM 0 HA VAL A 30 6.025 9.726 1.113 1.00 34.13 H new ATOM 0 HB VAL A 30 5.121 7.522 1.950 1.00 71.12 H new ATOM 0 HG11 VAL A 30 2.746 8.230 1.419 1.00 31.41 H new ATOM 0 HG12 VAL A 30 3.775 9.619 1.844 1.00 31.41 H new ATOM 0 HG13 VAL A 30 3.381 9.293 0.139 1.00 31.41 H new ATOM 0 HG21 VAL A 30 3.641 6.251 0.412 1.00 45.41 H new ATOM 0 HG22 VAL A 30 4.280 7.196 -0.955 1.00 45.41 H new ATOM 0 HG23 VAL A 30 5.359 6.122 -0.033 1.00 45.41 H new ATOM 455 N ALA A 31 7.671 7.915 2.187 1.00 4.21 N ATOM 456 CA ALA A 31 8.765 7.077 2.681 1.00 12.41 C ATOM 457 C ALA A 31 8.168 5.776 3.191 1.00 4.21 C ATOM 458 O ALA A 31 7.024 5.770 3.630 1.00 1.01 O ATOM 459 CB ALA A 31 9.513 7.746 3.842 1.00 74.34 C ATOM 0 H ALA A 31 7.101 8.302 2.939 1.00 4.21 H new ATOM 0 HA ALA A 31 9.470 6.913 1.866 1.00 12.41 H new ATOM 0 HB1 ALA A 31 10.317 7.093 4.181 1.00 74.34 H new ATOM 0 HB2 ALA A 31 9.932 8.694 3.506 1.00 74.34 H new ATOM 0 HB3 ALA A 31 8.821 7.926 4.665 1.00 74.34 H new ATOM 465 N HIS A 32 8.965 4.710 3.207 1.00 23.44 N ATOM 466 CA HIS A 32 8.582 3.367 3.641 1.00 23.42 C ATOM 467 C HIS A 32 7.860 3.375 5.001 1.00 50.24 C ATOM 468 O HIS A 32 6.961 2.565 5.218 1.00 30.25 O ATOM 469 CB HIS A 32 9.860 2.504 3.644 1.00 50.02 C ATOM 470 CG HIS A 32 11.033 3.187 4.315 1.00 64.52 C ATOM 471 ND1 HIS A 32 12.006 3.916 3.663 1.00 2.22 N ATOM 472 CD2 HIS A 32 11.190 3.388 5.660 1.00 25.45 C ATOM 473 CE1 HIS A 32 12.700 4.591 4.597 1.00 71.33 C ATOM 474 NE2 HIS A 32 12.226 4.317 5.826 1.00 2.05 N ATOM 0 H HIS A 32 9.938 4.760 2.905 1.00 23.44 H new ATOM 0 HA HIS A 32 7.853 2.941 2.951 1.00 23.42 H new ATOM 0 HB2 HIS A 32 9.655 1.562 4.153 1.00 50.02 H new ATOM 0 HB3 HIS A 32 10.129 2.259 2.617 1.00 50.02 H new ATOM 0 HD1 HIS A 32 12.169 3.939 2.656 1.00 2.22 H new ATOM 0 HD2 HIS A 32 10.621 2.917 6.448 1.00 25.45 H new ATOM 0 HE1 HIS A 32 13.523 5.259 4.389 1.00 71.33 H new ATOM 482 N SER A 33 8.227 4.317 5.876 1.00 50.10 N ATOM 483 CA SER A 33 7.757 4.472 7.244 1.00 71.10 C ATOM 484 C SER A 33 6.453 5.290 7.357 1.00 24.21 C ATOM 485 O SER A 33 6.042 5.632 8.465 1.00 2.14 O ATOM 486 CB SER A 33 8.903 5.110 8.058 1.00 61.20 C ATOM 487 OG SER A 33 9.097 4.445 9.292 1.00 33.32 O ATOM 0 H SER A 33 8.905 5.036 5.624 1.00 50.10 H new ATOM 0 HA SER A 33 7.498 3.491 7.642 1.00 71.10 H new ATOM 0 HB2 SER A 33 9.825 5.077 7.477 1.00 61.20 H new ATOM 0 HB3 SER A 33 8.679 6.161 8.241 1.00 61.20 H new ATOM 0 HG SER A 33 9.830 4.872 9.782 1.00 33.32 H new ATOM 493 N ASP A 34 5.792 5.686 6.263 1.00 12.14 N ATOM 494 CA ASP A 34 4.582 6.509 6.312 1.00 42.30 C ATOM 495 C ASP A 34 3.361 5.812 6.934 1.00 72.50 C ATOM 496 O ASP A 34 2.389 6.484 7.293 1.00 70.12 O ATOM 497 CB ASP A 34 4.259 7.020 4.902 1.00 45.42 C ATOM 498 CG ASP A 34 3.366 6.067 4.103 1.00 13.35 C ATOM 499 OD1 ASP A 34 3.901 5.190 3.401 1.00 64.41 O ATOM 500 OD2 ASP A 34 2.125 6.216 4.135 1.00 24.52 O ATOM 0 H ASP A 34 6.084 5.443 5.316 1.00 12.14 H new ATOM 0 HA ASP A 34 4.800 7.342 6.981 1.00 42.30 H new ATOM 0 HB2 ASP A 34 3.767 7.990 4.978 1.00 45.42 H new ATOM 0 HB3 ASP A 34 5.190 7.177 4.358 1.00 45.42 H new ATOM 505 N LEU A 35 3.401 4.485 7.077 1.00 2.14 N ATOM 506 CA LEU A 35 2.237 3.670 7.402 1.00 45.24 C ATOM 507 C LEU A 35 2.143 3.391 8.899 1.00 73.42 C ATOM 508 O LEU A 35 3.140 3.023 9.524 1.00 51.11 O ATOM 509 CB LEU A 35 2.309 2.357 6.612 1.00 13.14 C ATOM 510 CG LEU A 35 2.228 2.549 5.087 1.00 21.13 C ATOM 511 CD1 LEU A 35 2.397 1.200 4.392 1.00 23.43 C ATOM 512 CD2 LEU A 35 0.909 3.197 4.664 1.00 72.32 C ATOM 0 H LEU A 35 4.258 3.942 6.968 1.00 2.14 H new ATOM 0 HA LEU A 35 1.338 4.220 7.123 1.00 45.24 H new ATOM 0 HB2 LEU A 35 3.241 1.847 6.856 1.00 13.14 H new ATOM 0 HB3 LEU A 35 1.495 1.706 6.931 1.00 13.14 H new ATOM 0 HG LEU A 35 3.032 3.221 4.789 1.00 21.13 H new ATOM 0 HD11 LEU A 35 2.339 1.337 3.312 1.00 23.43 H new ATOM 0 HD12 LEU A 35 3.366 0.775 4.653 1.00 23.43 H new ATOM 0 HD13 LEU A 35 1.606 0.523 4.714 1.00 23.43 H new ATOM 0 HD21 LEU A 35 0.892 3.315 3.580 1.00 72.32 H new ATOM 0 HD22 LEU A 35 0.077 2.564 4.973 1.00 72.32 H new ATOM 0 HD23 LEU A 35 0.816 4.175 5.137 1.00 72.32 H new ATOM 524 N ASP A 36 0.934 3.494 9.459 1.00 32.42 N ATOM 525 CA ASP A 36 0.641 3.095 10.834 1.00 64.51 C ATOM 526 C ASP A 36 0.699 1.569 10.882 1.00 10.15 C ATOM 527 O ASP A 36 0.394 0.902 9.890 1.00 32.32 O ATOM 528 CB ASP A 36 -0.775 3.497 11.311 1.00 73.42 C ATOM 529 CG ASP A 36 -1.189 4.977 11.295 1.00 3.23 C ATOM 530 OD1 ASP A 36 -0.542 5.825 10.647 1.00 42.44 O ATOM 531 OD2 ASP A 36 -2.264 5.304 11.858 1.00 64.23 O ATOM 0 H ASP A 36 0.123 3.862 8.962 1.00 32.42 H new ATOM 0 HA ASP A 36 1.365 3.594 11.478 1.00 64.51 H new ATOM 0 HB2 ASP A 36 -1.493 2.951 10.699 1.00 73.42 H new ATOM 0 HB3 ASP A 36 -0.889 3.137 12.334 1.00 73.42 H new ATOM 536 N GLU A 37 0.965 0.999 12.056 1.00 71.54 N ATOM 537 CA GLU A 37 1.014 -0.454 12.227 1.00 41.20 C ATOM 538 C GLU A 37 -0.337 -1.096 11.869 1.00 30.25 C ATOM 539 O GLU A 37 -0.379 -2.184 11.294 1.00 43.42 O ATOM 540 CB GLU A 37 1.457 -0.785 13.659 1.00 70.10 C ATOM 541 CG GLU A 37 1.825 -2.267 13.808 1.00 43.11 C ATOM 542 CD GLU A 37 2.334 -2.574 15.213 1.00 31.34 C ATOM 543 OE1 GLU A 37 3.544 -2.397 15.494 1.00 51.11 O ATOM 544 OE2 GLU A 37 1.533 -2.996 16.076 1.00 44.44 O ATOM 0 H GLU A 37 1.151 1.525 12.910 1.00 71.54 H new ATOM 0 HA GLU A 37 1.747 -0.877 11.541 1.00 41.20 H new ATOM 0 HB2 GLU A 37 2.315 -0.168 13.927 1.00 70.10 H new ATOM 0 HB3 GLU A 37 0.656 -0.537 14.355 1.00 70.10 H new ATOM 0 HG2 GLU A 37 0.953 -2.884 13.592 1.00 43.11 H new ATOM 0 HG3 GLU A 37 2.590 -2.529 13.077 1.00 43.11 H new ATOM 551 N ARG A 38 -1.443 -0.383 12.119 1.00 50.21 N ATOM 552 CA ARG A 38 -2.789 -0.815 11.743 1.00 50.21 C ATOM 553 C ARG A 38 -2.959 -0.971 10.238 1.00 73.14 C ATOM 554 O ARG A 38 -3.782 -1.779 9.803 1.00 41.02 O ATOM 555 CB ARG A 38 -3.837 0.175 12.275 1.00 4.05 C ATOM 556 CG ARG A 38 -3.892 0.153 13.807 1.00 70.42 C ATOM 557 CD ARG A 38 -5.300 0.339 14.373 1.00 63.41 C ATOM 558 NE ARG A 38 -5.882 1.668 14.105 1.00 62.12 N ATOM 559 CZ ARG A 38 -7.197 1.901 13.996 1.00 23.35 C ATOM 560 NH1 ARG A 38 -8.065 0.912 14.159 1.00 30.31 N ATOM 561 NH2 ARG A 38 -7.642 3.116 13.704 1.00 25.24 N ATOM 0 H ARG A 38 -1.425 0.520 12.594 1.00 50.21 H new ATOM 0 HA ARG A 38 -2.937 -1.796 12.194 1.00 50.21 H new ATOM 0 HB2 ARG A 38 -3.598 1.181 11.931 1.00 4.05 H new ATOM 0 HB3 ARG A 38 -4.817 -0.076 11.870 1.00 4.05 H new ATOM 0 HG2 ARG A 38 -3.489 -0.795 14.163 1.00 70.42 H new ATOM 0 HG3 ARG A 38 -3.246 0.940 14.197 1.00 70.42 H new ATOM 0 HD2 ARG A 38 -5.954 -0.425 13.952 1.00 63.41 H new ATOM 0 HD3 ARG A 38 -5.272 0.176 15.450 1.00 63.41 H new ATOM 0 HE ARG A 38 -5.245 2.457 13.996 1.00 62.12 H new ATOM 0 HH11 ARG A 38 -7.732 -0.029 14.368 1.00 30.31 H new ATOM 0 HH12 ARG A 38 -9.065 1.093 14.075 1.00 30.31 H new ATOM 0 HH21 ARG A 38 -6.982 3.880 13.561 1.00 25.24 H new ATOM 0 HH22 ARG A 38 -8.644 3.286 13.623 1.00 25.24 H new ATOM 575 N ALA A 39 -2.221 -0.193 9.448 1.00 73.34 N ATOM 576 CA ALA A 39 -2.269 -0.271 8.002 1.00 22.35 C ATOM 577 C ALA A 39 -1.396 -1.437 7.519 1.00 14.35 C ATOM 578 O ALA A 39 -1.772 -2.108 6.555 1.00 1.31 O ATOM 579 CB ALA A 39 -1.854 1.083 7.411 1.00 64.11 C ATOM 0 H ALA A 39 -1.572 0.510 9.802 1.00 73.34 H new ATOM 0 HA ALA A 39 -3.282 -0.476 7.656 1.00 22.35 H new ATOM 0 HB1 ALA A 39 -1.888 1.031 6.323 1.00 64.11 H new ATOM 0 HB2 ALA A 39 -2.538 1.857 7.759 1.00 64.11 H new ATOM 0 HB3 ALA A 39 -0.840 1.324 7.731 1.00 64.11 H new ATOM 585 N ILE A 40 -0.262 -1.706 8.178 1.00 63.53 N ATOM 586 CA ILE A 40 0.558 -2.894 7.905 1.00 24.12 C ATOM 587 C ILE A 40 -0.273 -4.157 8.176 1.00 43.30 C ATOM 588 O ILE A 40 -0.275 -5.087 7.369 1.00 53.14 O ATOM 589 CB ILE A 40 1.863 -2.881 8.741 1.00 45.43 C ATOM 590 CG1 ILE A 40 2.650 -1.559 8.655 1.00 5.32 C ATOM 591 CG2 ILE A 40 2.785 -4.050 8.357 1.00 70.41 C ATOM 592 CD1 ILE A 40 3.013 -1.095 7.245 1.00 10.11 C ATOM 0 H ILE A 40 0.113 -1.108 8.914 1.00 63.53 H new ATOM 0 HA ILE A 40 0.857 -2.888 6.857 1.00 24.12 H new ATOM 0 HB ILE A 40 1.535 -2.990 9.775 1.00 45.43 H new ATOM 0 HG12 ILE A 40 2.063 -0.776 9.136 1.00 5.32 H new ATOM 0 HG13 ILE A 40 3.570 -1.667 9.230 1.00 5.32 H new ATOM 0 HG21 ILE A 40 3.691 -4.012 8.961 1.00 70.41 H new ATOM 0 HG22 ILE A 40 2.269 -4.994 8.535 1.00 70.41 H new ATOM 0 HG23 ILE A 40 3.049 -3.974 7.302 1.00 70.41 H new ATOM 0 HD11 ILE A 40 3.564 -0.156 7.301 1.00 10.11 H new ATOM 0 HD12 ILE A 40 3.632 -1.851 6.761 1.00 10.11 H new ATOM 0 HD13 ILE A 40 2.102 -0.946 6.665 1.00 10.11 H new ATOM 604 N GLU A 41 -1.023 -4.168 9.280 1.00 1.33 N ATOM 605 CA GLU A 41 -1.993 -5.202 9.605 1.00 3.42 C ATOM 606 C GLU A 41 -2.985 -5.377 8.455 1.00 1.03 C ATOM 607 O GLU A 41 -3.128 -6.488 7.942 1.00 25.42 O ATOM 608 CB GLU A 41 -2.666 -4.859 10.945 1.00 62.21 C ATOM 609 CG GLU A 41 -4.043 -5.506 11.150 1.00 14.43 C ATOM 610 CD GLU A 41 -4.360 -5.660 12.630 1.00 5.25 C ATOM 611 OE1 GLU A 41 -4.522 -4.619 13.310 1.00 30.33 O ATOM 612 OE2 GLU A 41 -4.404 -6.828 13.085 1.00 70.11 O ATOM 0 H GLU A 41 -0.967 -3.436 9.988 1.00 1.33 H new ATOM 0 HA GLU A 41 -1.499 -6.166 9.728 1.00 3.42 H new ATOM 0 HB2 GLU A 41 -2.008 -5.169 11.757 1.00 62.21 H new ATOM 0 HB3 GLU A 41 -2.773 -3.777 11.017 1.00 62.21 H new ATOM 0 HG2 GLU A 41 -4.810 -4.896 10.672 1.00 14.43 H new ATOM 0 HG3 GLU A 41 -4.065 -6.483 10.666 1.00 14.43 H new ATOM 619 N ALA A 42 -3.662 -4.303 8.043 1.00 2.12 N ATOM 620 CA ALA A 42 -4.672 -4.384 7.000 1.00 52.43 C ATOM 621 C ALA A 42 -4.095 -4.947 5.691 1.00 12.43 C ATOM 622 O ALA A 42 -4.767 -5.736 5.029 1.00 2.25 O ATOM 623 CB ALA A 42 -5.308 -3.007 6.808 1.00 54.03 C ATOM 0 H ALA A 42 -3.524 -3.366 8.421 1.00 2.12 H new ATOM 0 HA ALA A 42 -5.448 -5.084 7.308 1.00 52.43 H new ATOM 0 HB1 ALA A 42 -6.066 -3.062 6.027 1.00 54.03 H new ATOM 0 HB2 ALA A 42 -5.771 -2.687 7.741 1.00 54.03 H new ATOM 0 HB3 ALA A 42 -4.541 -2.289 6.519 1.00 54.03 H new ATOM 629 N LEU A 43 -2.852 -4.596 5.331 1.00 50.23 N ATOM 630 CA LEU A 43 -2.185 -5.102 4.126 1.00 74.24 C ATOM 631 C LEU A 43 -2.124 -6.631 4.116 1.00 2.21 C ATOM 632 O LEU A 43 -2.368 -7.237 3.069 1.00 25.52 O ATOM 633 CB LEU A 43 -0.761 -4.519 3.974 1.00 44.24 C ATOM 634 CG LEU A 43 -0.677 -3.244 3.116 1.00 4.45 C ATOM 635 CD1 LEU A 43 0.728 -2.634 3.198 1.00 43.22 C ATOM 636 CD2 LEU A 43 -0.996 -3.491 1.639 1.00 5.32 C ATOM 0 H LEU A 43 -2.279 -3.949 5.872 1.00 50.23 H new ATOM 0 HA LEU A 43 -2.785 -4.773 3.277 1.00 74.24 H new ATOM 0 HB2 LEU A 43 -0.365 -4.300 4.966 1.00 44.24 H new ATOM 0 HB3 LEU A 43 -0.116 -5.280 3.534 1.00 44.24 H new ATOM 0 HG LEU A 43 -1.426 -2.565 3.522 1.00 4.45 H new ATOM 0 HD11 LEU A 43 0.770 -1.733 2.586 1.00 43.22 H new ATOM 0 HD12 LEU A 43 0.954 -2.380 4.233 1.00 43.22 H new ATOM 0 HD13 LEU A 43 1.460 -3.355 2.833 1.00 43.22 H new ATOM 0 HD21 LEU A 43 -0.919 -2.553 1.088 1.00 5.32 H new ATOM 0 HD22 LEU A 43 -0.288 -4.211 1.229 1.00 5.32 H new ATOM 0 HD23 LEU A 43 -2.008 -3.885 1.546 1.00 5.32 H new ATOM 648 N LYS A 44 -1.814 -7.268 5.252 1.00 74.51 N ATOM 649 CA LYS A 44 -1.721 -8.730 5.321 1.00 21.11 C ATOM 650 C LYS A 44 -3.046 -9.422 4.973 1.00 21.13 C ATOM 651 O LYS A 44 -3.027 -10.582 4.559 1.00 53.34 O ATOM 652 CB LYS A 44 -1.244 -9.205 6.709 1.00 13.45 C ATOM 653 CG LYS A 44 0.254 -9.543 6.744 1.00 62.24 C ATOM 654 CD LYS A 44 1.153 -8.333 7.011 1.00 30.22 C ATOM 655 CE LYS A 44 1.173 -7.896 8.489 1.00 1.45 C ATOM 656 NZ LYS A 44 1.789 -8.883 9.406 1.00 25.33 N ATOM 0 H LYS A 44 -1.624 -6.794 6.135 1.00 74.51 H new ATOM 0 HA LYS A 44 -0.982 -9.015 4.572 1.00 21.11 H new ATOM 0 HB2 LYS A 44 -1.453 -8.428 7.445 1.00 13.45 H new ATOM 0 HB3 LYS A 44 -1.817 -10.085 7.003 1.00 13.45 H new ATOM 0 HG2 LYS A 44 0.430 -10.292 7.516 1.00 62.24 H new ATOM 0 HG3 LYS A 44 0.538 -9.992 5.792 1.00 62.24 H new ATOM 0 HD2 LYS A 44 2.170 -8.569 6.696 1.00 30.22 H new ATOM 0 HD3 LYS A 44 0.816 -7.497 6.398 1.00 30.22 H new ATOM 0 HE2 LYS A 44 1.715 -6.954 8.570 1.00 1.45 H new ATOM 0 HE3 LYS A 44 0.150 -7.704 8.813 1.00 1.45 H new ATOM 0 HZ1 LYS A 44 1.887 -8.463 10.352 1.00 25.33 H new ATOM 0 HZ2 LYS A 44 1.185 -9.728 9.463 1.00 25.33 H new ATOM 0 HZ3 LYS A 44 2.727 -9.152 9.047 1.00 25.33 H new ATOM 670 N GLU A 45 -4.204 -8.780 5.157 1.00 31.12 N ATOM 671 CA GLU A 45 -5.497 -9.452 4.975 1.00 64.21 C ATOM 672 C GLU A 45 -5.870 -9.652 3.499 1.00 33.41 C ATOM 673 O GLU A 45 -6.801 -10.410 3.196 1.00 3.22 O ATOM 674 CB GLU A 45 -6.610 -8.718 5.716 1.00 2.43 C ATOM 675 CG GLU A 45 -6.377 -8.687 7.231 1.00 11.03 C ATOM 676 CD GLU A 45 -6.013 -10.027 7.885 1.00 25.42 C ATOM 677 OE1 GLU A 45 -6.598 -11.075 7.531 1.00 3.01 O ATOM 678 OE2 GLU A 45 -5.148 -10.009 8.796 1.00 10.05 O ATOM 0 H GLU A 45 -4.274 -7.800 5.431 1.00 31.12 H new ATOM 0 HA GLU A 45 -5.384 -10.446 5.407 1.00 64.21 H new ATOM 0 HB2 GLU A 45 -6.682 -7.697 5.341 1.00 2.43 H new ATOM 0 HB3 GLU A 45 -7.564 -9.202 5.507 1.00 2.43 H new ATOM 0 HG2 GLU A 45 -5.579 -7.975 7.441 1.00 11.03 H new ATOM 0 HG3 GLU A 45 -7.279 -8.305 7.709 1.00 11.03 H new ATOM 685 N PHE A 46 -5.163 -8.983 2.586 1.00 30.21 N ATOM 686 CA PHE A 46 -5.342 -9.073 1.152 1.00 12.44 C ATOM 687 C PHE A 46 -4.434 -10.172 0.614 1.00 52.34 C ATOM 688 O PHE A 46 -3.250 -10.245 0.954 1.00 13.33 O ATOM 689 CB PHE A 46 -5.004 -7.724 0.503 1.00 43.42 C ATOM 690 CG PHE A 46 -6.080 -6.665 0.671 1.00 4.05 C ATOM 691 CD1 PHE A 46 -6.230 -5.967 1.886 1.00 50.01 C ATOM 692 CD2 PHE A 46 -6.933 -6.362 -0.404 1.00 2.34 C ATOM 693 CE1 PHE A 46 -7.249 -5.008 2.036 1.00 54.10 C ATOM 694 CE2 PHE A 46 -7.939 -5.397 -0.257 1.00 34.33 C ATOM 695 CZ PHE A 46 -8.108 -4.718 0.959 1.00 5.15 C ATOM 0 H PHE A 46 -4.418 -8.337 2.847 1.00 30.21 H new ATOM 0 HA PHE A 46 -6.378 -9.315 0.916 1.00 12.44 H new ATOM 0 HB2 PHE A 46 -4.073 -7.351 0.930 1.00 43.42 H new ATOM 0 HB3 PHE A 46 -4.826 -7.880 -0.561 1.00 43.42 H new ATOM 0 HD1 PHE A 46 -5.559 -6.169 2.707 1.00 50.01 H new ATOM 0 HD2 PHE A 46 -6.813 -6.875 -1.347 1.00 2.34 H new ATOM 0 HE1 PHE A 46 -7.372 -4.494 2.978 1.00 54.10 H new ATOM 0 HE2 PHE A 46 -8.591 -5.174 -1.089 1.00 34.33 H new ATOM 0 HZ PHE A 46 -8.889 -3.980 1.068 1.00 5.15 H new ATOM 705 N ASN A 47 -4.996 -10.991 -0.268 1.00 30.24 N ATOM 706 CA ASN A 47 -4.244 -11.868 -1.156 1.00 54.14 C ATOM 707 C ASN A 47 -3.439 -11.058 -2.147 1.00 24.44 C ATOM 708 O ASN A 47 -3.679 -9.871 -2.333 1.00 45.22 O ATOM 709 CB ASN A 47 -5.166 -12.785 -1.975 1.00 2.14 C ATOM 710 CG ASN A 47 -6.127 -12.018 -2.878 1.00 2.31 C ATOM 711 OD1 ASN A 47 -6.924 -11.210 -2.409 1.00 11.05 O ATOM 712 ND2 ASN A 47 -6.089 -12.230 -4.184 1.00 45.23 N ATOM 0 H ASN A 47 -6.006 -11.065 -0.388 1.00 30.24 H new ATOM 0 HA ASN A 47 -3.598 -12.467 -0.515 1.00 54.14 H new ATOM 0 HB2 ASN A 47 -4.556 -13.451 -2.586 1.00 2.14 H new ATOM 0 HB3 ASN A 47 -5.740 -13.414 -1.295 1.00 2.14 H new ATOM 0 HD21 ASN A 47 -6.722 -11.722 -4.802 1.00 45.23 H new ATOM 0 HD22 ASN A 47 -5.427 -12.901 -4.573 1.00 45.23 H new ATOM 719 N GLU A 48 -2.567 -11.762 -2.856 1.00 5.14 N ATOM 720 CA GLU A 48 -1.678 -11.267 -3.875 1.00 44.04 C ATOM 721 C GLU A 48 -2.409 -10.347 -4.861 1.00 65.30 C ATOM 722 O GLU A 48 -2.121 -9.155 -4.918 1.00 44.41 O ATOM 723 CB GLU A 48 -1.059 -12.502 -4.543 1.00 5.22 C ATOM 724 CG GLU A 48 0.177 -12.076 -5.309 1.00 73.41 C ATOM 725 CD GLU A 48 0.759 -13.204 -6.161 1.00 54.14 C ATOM 726 OE1 GLU A 48 0.139 -13.587 -7.183 1.00 40.22 O ATOM 727 OE2 GLU A 48 1.872 -13.682 -5.857 1.00 73.42 O ATOM 0 H GLU A 48 -2.462 -12.767 -2.716 1.00 5.14 H new ATOM 0 HA GLU A 48 -0.891 -10.642 -3.453 1.00 44.04 H new ATOM 0 HB2 GLU A 48 -0.799 -13.247 -3.791 1.00 5.22 H new ATOM 0 HB3 GLU A 48 -1.779 -12.967 -5.217 1.00 5.22 H new ATOM 0 HG2 GLU A 48 -0.072 -11.232 -5.952 1.00 73.41 H new ATOM 0 HG3 GLU A 48 0.934 -11.729 -4.606 1.00 73.41 H new ATOM 734 N ASP A 49 -3.373 -10.886 -5.612 1.00 65.32 N ATOM 735 CA ASP A 49 -4.097 -10.136 -6.638 1.00 14.33 C ATOM 736 C ASP A 49 -4.913 -8.996 -6.037 1.00 54.04 C ATOM 737 O ASP A 49 -5.018 -7.920 -6.632 1.00 72.42 O ATOM 738 CB ASP A 49 -5.045 -11.063 -7.391 1.00 3.15 C ATOM 739 CG ASP A 49 -5.545 -10.437 -8.684 1.00 23.45 C ATOM 740 OD1 ASP A 49 -4.709 -10.308 -9.606 1.00 62.24 O ATOM 741 OD2 ASP A 49 -6.765 -10.164 -8.775 1.00 74.23 O ATOM 0 H ASP A 49 -3.673 -11.857 -5.524 1.00 65.32 H new ATOM 0 HA ASP A 49 -3.353 -9.716 -7.315 1.00 14.33 H new ATOM 0 HB2 ASP A 49 -4.534 -12.000 -7.615 1.00 3.15 H new ATOM 0 HB3 ASP A 49 -5.895 -11.308 -6.754 1.00 3.15 H new ATOM 746 N GLY A 50 -5.487 -9.232 -4.849 1.00 41.24 N ATOM 747 CA GLY A 50 -6.299 -8.246 -4.167 1.00 52.01 C ATOM 748 C GLY A 50 -5.457 -7.038 -3.771 1.00 24.55 C ATOM 749 O GLY A 50 -5.872 -5.897 -3.974 1.00 54.32 O ATOM 0 H GLY A 50 -5.395 -10.114 -4.345 1.00 41.24 H new ATOM 0 HA2 GLY A 50 -7.117 -7.930 -4.815 1.00 52.01 H new ATOM 0 HA3 GLY A 50 -6.749 -8.689 -3.279 1.00 52.01 H new ATOM 753 N ALA A 51 -4.284 -7.301 -3.194 1.00 2.21 N ATOM 754 CA ALA A 51 -3.310 -6.319 -2.761 1.00 61.14 C ATOM 755 C ALA A 51 -2.758 -5.554 -3.959 1.00 73.51 C ATOM 756 O ALA A 51 -2.693 -4.328 -3.907 1.00 24.31 O ATOM 757 CB ALA A 51 -2.180 -7.016 -1.996 1.00 31.23 C ATOM 0 H ALA A 51 -3.979 -8.257 -3.010 1.00 2.21 H new ATOM 0 HA ALA A 51 -3.795 -5.603 -2.097 1.00 61.14 H new ATOM 0 HB1 ALA A 51 -1.449 -6.275 -1.672 1.00 31.23 H new ATOM 0 HB2 ALA A 51 -2.591 -7.526 -1.125 1.00 31.23 H new ATOM 0 HB3 ALA A 51 -1.695 -7.744 -2.647 1.00 31.23 H new ATOM 763 N LEU A 52 -2.376 -6.241 -5.038 1.00 51.23 N ATOM 764 CA LEU A 52 -1.882 -5.586 -6.251 1.00 2.02 C ATOM 765 C LEU A 52 -2.897 -4.573 -6.756 1.00 73.31 C ATOM 766 O LEU A 52 -2.531 -3.435 -7.043 1.00 72.54 O ATOM 767 CB LEU A 52 -1.609 -6.618 -7.350 1.00 74.50 C ATOM 768 CG LEU A 52 -0.347 -7.456 -7.106 1.00 24.55 C ATOM 769 CD1 LEU A 52 -0.391 -8.695 -8.009 1.00 53.34 C ATOM 770 CD2 LEU A 52 0.925 -6.629 -7.351 1.00 54.40 C ATOM 0 H LEU A 52 -2.400 -7.259 -5.096 1.00 51.23 H new ATOM 0 HA LEU A 52 -0.952 -5.075 -6.002 1.00 2.02 H new ATOM 0 HB2 LEU A 52 -2.467 -7.285 -7.432 1.00 74.50 H new ATOM 0 HB3 LEU A 52 -1.513 -6.102 -8.305 1.00 74.50 H new ATOM 0 HG LEU A 52 -0.320 -7.774 -6.064 1.00 24.55 H new ATOM 0 HD11 LEU A 52 0.502 -9.298 -7.843 1.00 53.34 H new ATOM 0 HD12 LEU A 52 -1.276 -9.286 -7.774 1.00 53.34 H new ATOM 0 HD13 LEU A 52 -0.430 -8.383 -9.053 1.00 53.34 H new ATOM 0 HD21 LEU A 52 1.803 -7.249 -7.170 1.00 54.40 H new ATOM 0 HD22 LEU A 52 0.936 -6.276 -8.382 1.00 54.40 H new ATOM 0 HD23 LEU A 52 0.939 -5.774 -6.675 1.00 54.40 H new ATOM 782 N ALA A 53 -4.175 -4.958 -6.802 1.00 31.34 N ATOM 783 CA ALA A 53 -5.217 -4.062 -7.265 1.00 11.12 C ATOM 784 C ALA A 53 -5.252 -2.761 -6.450 1.00 43.03 C ATOM 785 O ALA A 53 -5.293 -1.676 -7.026 1.00 2.11 O ATOM 786 CB ALA A 53 -6.561 -4.779 -7.210 1.00 72.22 C ATOM 0 H ALA A 53 -4.504 -5.882 -6.524 1.00 31.34 H new ATOM 0 HA ALA A 53 -5.001 -3.782 -8.296 1.00 11.12 H new ATOM 0 HB1 ALA A 53 -7.346 -4.108 -7.558 1.00 72.22 H new ATOM 0 HB2 ALA A 53 -6.529 -5.661 -7.849 1.00 72.22 H new ATOM 0 HB3 ALA A 53 -6.770 -5.082 -6.184 1.00 72.22 H new ATOM 792 N VAL A 54 -5.189 -2.866 -5.121 1.00 71.30 N ATOM 793 CA VAL A 54 -5.120 -1.728 -4.208 1.00 72.10 C ATOM 794 C VAL A 54 -3.914 -0.837 -4.546 1.00 44.10 C ATOM 795 O VAL A 54 -4.026 0.390 -4.514 1.00 62.14 O ATOM 796 CB VAL A 54 -5.073 -2.272 -2.760 1.00 74.50 C ATOM 797 CG1 VAL A 54 -4.691 -1.249 -1.691 1.00 4.14 C ATOM 798 CG2 VAL A 54 -6.413 -2.893 -2.341 1.00 4.15 C ATOM 0 H VAL A 54 -5.185 -3.766 -4.641 1.00 71.30 H new ATOM 0 HA VAL A 54 -6.002 -1.095 -4.312 1.00 72.10 H new ATOM 0 HB VAL A 54 -4.281 -3.019 -2.805 1.00 74.50 H new ATOM 0 HG11 VAL A 54 -4.687 -1.729 -0.713 1.00 4.14 H new ATOM 0 HG12 VAL A 54 -3.698 -0.853 -1.905 1.00 4.14 H new ATOM 0 HG13 VAL A 54 -5.415 -0.434 -1.692 1.00 4.14 H new ATOM 0 HG21 VAL A 54 -6.339 -3.263 -1.318 1.00 4.15 H new ATOM 0 HG22 VAL A 54 -7.197 -2.138 -2.398 1.00 4.15 H new ATOM 0 HG23 VAL A 54 -6.656 -3.719 -3.009 1.00 4.15 H new ATOM 808 N LEU A 55 -2.753 -1.429 -4.852 1.00 43.21 N ATOM 809 CA LEU A 55 -1.515 -0.682 -5.076 1.00 71.51 C ATOM 810 C LEU A 55 -1.619 0.135 -6.350 1.00 74.23 C ATOM 811 O LEU A 55 -1.204 1.299 -6.359 1.00 74.41 O ATOM 812 CB LEU A 55 -0.279 -1.595 -5.188 1.00 41.43 C ATOM 813 CG LEU A 55 0.119 -2.362 -3.923 1.00 3.25 C ATOM 814 CD1 LEU A 55 1.418 -3.123 -4.197 1.00 30.35 C ATOM 815 CD2 LEU A 55 0.283 -1.467 -2.689 1.00 62.14 C ATOM 0 H LEU A 55 -2.648 -2.439 -4.951 1.00 43.21 H new ATOM 0 HA LEU A 55 -1.386 -0.036 -4.207 1.00 71.51 H new ATOM 0 HB2 LEU A 55 -0.460 -2.318 -5.983 1.00 41.43 H new ATOM 0 HB3 LEU A 55 0.569 -0.985 -5.499 1.00 41.43 H new ATOM 0 HG LEU A 55 -0.695 -3.048 -3.689 1.00 3.25 H new ATOM 0 HD11 LEU A 55 1.712 -3.674 -3.304 1.00 30.35 H new ATOM 0 HD12 LEU A 55 1.264 -3.822 -5.019 1.00 30.35 H new ATOM 0 HD13 LEU A 55 2.204 -2.417 -4.463 1.00 30.35 H new ATOM 0 HD21 LEU A 55 0.565 -2.078 -1.831 1.00 62.14 H new ATOM 0 HD22 LEU A 55 1.060 -0.726 -2.878 1.00 62.14 H new ATOM 0 HD23 LEU A 55 -0.659 -0.960 -2.479 1.00 62.14 H new ATOM 827 N GLN A 56 -2.163 -0.467 -7.412 1.00 21.23 N ATOM 828 CA GLN A 56 -2.247 0.198 -8.699 1.00 44.31 C ATOM 829 C GLN A 56 -3.145 1.437 -8.547 1.00 40.24 C ATOM 830 O GLN A 56 -2.821 2.494 -9.082 1.00 33.42 O ATOM 831 CB GLN A 56 -2.684 -0.798 -9.801 1.00 0.13 C ATOM 832 CG GLN A 56 -4.181 -0.815 -10.126 1.00 3.04 C ATOM 833 CD GLN A 56 -4.627 -2.034 -10.927 1.00 71.23 C ATOM 834 OE1 GLN A 56 -4.153 -2.302 -12.031 1.00 52.34 O ATOM 835 NE2 GLN A 56 -5.643 -2.728 -10.445 1.00 34.31 N ATOM 0 H GLN A 56 -2.549 -1.411 -7.398 1.00 21.23 H new ATOM 0 HA GLN A 56 -1.272 0.555 -9.030 1.00 44.31 H new ATOM 0 HB2 GLN A 56 -2.136 -0.565 -10.714 1.00 0.13 H new ATOM 0 HB3 GLN A 56 -2.386 -1.801 -9.497 1.00 0.13 H new ATOM 0 HG2 GLN A 56 -4.745 -0.779 -9.194 1.00 3.04 H new ATOM 0 HG3 GLN A 56 -4.431 0.086 -10.685 1.00 3.04 H new ATOM 0 HE21 GLN A 56 -6.029 -2.498 -9.529 1.00 34.31 H new ATOM 0 HE22 GLN A 56 -6.041 -3.493 -10.989 1.00 34.31 H new ATOM 844 N GLN A 57 -4.246 1.336 -7.780 1.00 4.42 N ATOM 845 CA GLN A 57 -5.156 2.471 -7.624 1.00 75.40 C ATOM 846 C GLN A 57 -4.555 3.542 -6.709 1.00 24.43 C ATOM 847 O GLN A 57 -4.836 4.726 -6.881 1.00 35.23 O ATOM 848 CB GLN A 57 -6.536 2.030 -7.109 1.00 14.14 C ATOM 849 CG GLN A 57 -7.621 2.977 -7.663 1.00 42.30 C ATOM 850 CD GLN A 57 -9.000 2.797 -7.032 1.00 73.53 C ATOM 851 OE1 GLN A 57 -9.604 3.753 -6.551 1.00 51.00 O ATOM 852 NE2 GLN A 57 -9.531 1.584 -6.982 1.00 22.24 N ATOM 0 H GLN A 57 -4.518 0.495 -7.270 1.00 4.42 H new ATOM 0 HA GLN A 57 -5.296 2.906 -8.613 1.00 75.40 H new ATOM 0 HB2 GLN A 57 -6.741 1.005 -7.419 1.00 14.14 H new ATOM 0 HB3 GLN A 57 -6.550 2.042 -6.019 1.00 14.14 H new ATOM 0 HG2 GLN A 57 -7.298 4.007 -7.512 1.00 42.30 H new ATOM 0 HG3 GLN A 57 -7.705 2.823 -8.739 1.00 42.30 H new ATOM 0 HE21 GLN A 57 -9.029 0.791 -7.381 1.00 22.24 H new ATOM 0 HE22 GLN A 57 -10.441 1.443 -6.544 1.00 22.24 H new ATOM 861 N PHE A 58 -3.737 3.132 -5.735 1.00 34.33 N ATOM 862 CA PHE A 58 -3.023 4.051 -4.864 1.00 4.33 C ATOM 863 C PHE A 58 -2.111 4.956 -5.697 1.00 22.52 C ATOM 864 O PHE A 58 -2.253 6.173 -5.637 1.00 60.20 O ATOM 865 CB PHE A 58 -2.253 3.279 -3.784 1.00 23.51 C ATOM 866 CG PHE A 58 -1.506 4.177 -2.822 1.00 22.21 C ATOM 867 CD1 PHE A 58 -0.239 4.685 -3.170 1.00 52.02 C ATOM 868 CD2 PHE A 58 -2.090 4.537 -1.594 1.00 54.20 C ATOM 869 CE1 PHE A 58 0.436 5.546 -2.294 1.00 34.11 C ATOM 870 CE2 PHE A 58 -1.389 5.367 -0.702 1.00 73.41 C ATOM 871 CZ PHE A 58 -0.120 5.854 -1.049 1.00 23.31 C ATOM 0 H PHE A 58 -3.555 2.149 -5.533 1.00 34.33 H new ATOM 0 HA PHE A 58 -3.737 4.692 -4.346 1.00 4.33 H new ATOM 0 HB2 PHE A 58 -2.952 2.659 -3.223 1.00 23.51 H new ATOM 0 HB3 PHE A 58 -1.544 2.605 -4.265 1.00 23.51 H new ATOM 0 HD1 PHE A 58 0.212 4.411 -4.112 1.00 52.02 H new ATOM 0 HD2 PHE A 58 -3.075 4.176 -1.337 1.00 54.20 H new ATOM 0 HE1 PHE A 58 1.386 5.972 -2.581 1.00 34.11 H new ATOM 0 HE2 PHE A 58 -1.827 5.630 0.250 1.00 73.41 H new ATOM 0 HZ PHE A 58 0.429 6.469 -0.352 1.00 23.31 H new ATOM 881 N LYS A 59 -1.180 4.382 -6.474 1.00 12.41 N ATOM 882 CA LYS A 59 -0.262 5.166 -7.296 1.00 63.51 C ATOM 883 C LYS A 59 -0.989 5.912 -8.422 1.00 12.22 C ATOM 884 O LYS A 59 -0.488 6.947 -8.854 1.00 74.43 O ATOM 885 CB LYS A 59 0.874 4.252 -7.784 1.00 32.45 C ATOM 886 CG LYS A 59 1.980 5.011 -8.541 1.00 54.11 C ATOM 887 CD LYS A 59 3.391 4.450 -8.277 1.00 11.03 C ATOM 888 CE LYS A 59 4.235 5.454 -7.476 1.00 1.35 C ATOM 889 NZ LYS A 59 4.793 6.493 -8.372 1.00 2.04 N ATOM 0 H LYS A 59 -1.047 3.373 -6.546 1.00 12.41 H new ATOM 0 HA LYS A 59 0.185 5.958 -6.696 1.00 63.51 H new ATOM 0 HB2 LYS A 59 1.314 3.741 -6.928 1.00 32.45 H new ATOM 0 HB3 LYS A 59 0.459 3.483 -8.435 1.00 32.45 H new ATOM 0 HG2 LYS A 59 1.774 4.969 -9.610 1.00 54.11 H new ATOM 0 HG3 LYS A 59 1.954 6.062 -8.252 1.00 54.11 H new ATOM 0 HD2 LYS A 59 3.317 3.511 -7.729 1.00 11.03 H new ATOM 0 HD3 LYS A 59 3.883 4.229 -9.224 1.00 11.03 H new ATOM 0 HE2 LYS A 59 3.621 5.921 -6.706 1.00 1.35 H new ATOM 0 HE3 LYS A 59 5.045 4.932 -6.966 1.00 1.35 H new ATOM 0 HZ1 LYS A 59 5.361 7.163 -7.815 1.00 2.04 H new ATOM 0 HZ2 LYS A 59 5.395 6.044 -9.092 1.00 2.04 H new ATOM 0 HZ3 LYS A 59 4.016 7.002 -8.839 1.00 2.04 H new ATOM 903 N ASP A 60 -2.183 5.477 -8.833 1.00 31.15 N ATOM 904 CA ASP A 60 -3.114 6.269 -9.640 1.00 0.31 C ATOM 905 C ASP A 60 -3.787 7.342 -8.751 1.00 62.44 C ATOM 906 O ASP A 60 -5.017 7.460 -8.752 1.00 22.42 O ATOM 907 CB ASP A 60 -4.173 5.359 -10.322 1.00 40.43 C ATOM 908 CG ASP A 60 -3.738 4.654 -11.605 1.00 31.55 C ATOM 909 OD1 ASP A 60 -2.738 5.056 -12.229 1.00 32.45 O ATOM 910 OD2 ASP A 60 -4.498 3.791 -12.108 1.00 52.23 O ATOM 0 H ASP A 60 -2.536 4.547 -8.610 1.00 31.15 H new ATOM 0 HA ASP A 60 -2.559 6.769 -10.433 1.00 0.31 H new ATOM 0 HB2 ASP A 60 -4.484 4.600 -9.604 1.00 40.43 H new ATOM 0 HB3 ASP A 60 -5.051 5.965 -10.546 1.00 40.43 H new ATOM 915 N SER A 61 -3.031 8.116 -7.959 1.00 24.14 N ATOM 916 CA SER A 61 -3.510 9.272 -7.195 1.00 33.32 C ATOM 917 C SER A 61 -2.394 10.296 -6.964 1.00 13.25 C ATOM 918 O SER A 61 -1.226 9.935 -6.822 1.00 2.35 O ATOM 919 CB SER A 61 -4.075 8.841 -5.834 1.00 4.45 C ATOM 920 OG SER A 61 -5.078 7.839 -5.932 1.00 52.31 O ATOM 0 H SER A 61 -2.034 7.946 -7.830 1.00 24.14 H new ATOM 0 HA SER A 61 -4.300 9.733 -7.788 1.00 33.32 H new ATOM 0 HB2 SER A 61 -3.261 8.470 -5.212 1.00 4.45 H new ATOM 0 HB3 SER A 61 -4.491 9.713 -5.329 1.00 4.45 H new ATOM 0 HG SER A 61 -5.295 7.685 -6.875 1.00 52.31 H new ATOM 926 N ASP A 62 -2.771 11.577 -6.864 1.00 60.51 N ATOM 927 CA ASP A 62 -1.855 12.690 -6.623 1.00 32.32 C ATOM 928 C ASP A 62 -1.854 13.040 -5.139 1.00 22.35 C ATOM 929 O ASP A 62 -2.612 13.876 -4.648 1.00 64.30 O ATOM 930 CB ASP A 62 -2.157 13.925 -7.480 1.00 71.30 C ATOM 931 CG ASP A 62 -1.084 14.979 -7.196 1.00 13.03 C ATOM 932 OD1 ASP A 62 0.117 14.665 -7.347 1.00 3.13 O ATOM 933 OD2 ASP A 62 -1.404 16.117 -6.797 1.00 55.30 O ATOM 0 H ASP A 62 -3.744 11.871 -6.951 1.00 60.51 H new ATOM 0 HA ASP A 62 -0.861 12.360 -6.924 1.00 32.32 H new ATOM 0 HB2 ASP A 62 -2.161 13.662 -8.538 1.00 71.30 H new ATOM 0 HB3 ASP A 62 -3.147 14.317 -7.246 1.00 71.30 H new ATOM 938 N LEU A 63 -0.997 12.350 -4.399 1.00 24.34 N ATOM 939 CA LEU A 63 -0.895 12.365 -2.942 1.00 21.52 C ATOM 940 C LEU A 63 -0.188 13.644 -2.440 1.00 11.13 C ATOM 941 O LEU A 63 0.661 13.588 -1.548 1.00 24.13 O ATOM 942 CB LEU A 63 -0.153 11.083 -2.531 1.00 3.35 C ATOM 943 CG LEU A 63 -0.825 9.762 -2.983 1.00 43.40 C ATOM 944 CD1 LEU A 63 0.184 8.796 -3.621 1.00 11.25 C ATOM 945 CD2 LEU A 63 -1.481 9.077 -1.793 1.00 10.25 C ATOM 0 H LEU A 63 -0.311 11.726 -4.824 1.00 24.34 H new ATOM 0 HA LEU A 63 -1.883 12.384 -2.482 1.00 21.52 H new ATOM 0 HB2 LEU A 63 0.856 11.118 -2.941 1.00 3.35 H new ATOM 0 HB3 LEU A 63 -0.055 11.070 -1.445 1.00 3.35 H new ATOM 0 HG LEU A 63 -1.575 10.020 -3.731 1.00 43.40 H new ATOM 0 HD11 LEU A 63 -0.328 7.883 -3.924 1.00 11.25 H new ATOM 0 HD12 LEU A 63 0.635 9.266 -4.495 1.00 11.25 H new ATOM 0 HD13 LEU A 63 0.962 8.553 -2.898 1.00 11.25 H new ATOM 0 HD21 LEU A 63 -1.951 8.150 -2.121 1.00 10.25 H new ATOM 0 HD22 LEU A 63 -0.726 8.855 -1.039 1.00 10.25 H new ATOM 0 HD23 LEU A 63 -2.237 9.735 -1.366 1.00 10.25 H new ATOM 957 N SER A 64 -0.576 14.811 -2.962 1.00 64.53 N ATOM 958 CA SER A 64 -0.219 16.132 -2.448 1.00 44.12 C ATOM 959 C SER A 64 -1.290 16.709 -1.503 1.00 14.22 C ATOM 960 O SER A 64 -1.069 17.768 -0.915 1.00 22.35 O ATOM 961 CB SER A 64 0.026 17.078 -3.633 1.00 3.43 C ATOM 962 OG SER A 64 1.309 16.863 -4.198 1.00 21.32 O ATOM 0 H SER A 64 -1.172 14.861 -3.788 1.00 64.53 H new ATOM 0 HA SER A 64 0.690 16.031 -1.854 1.00 44.12 H new ATOM 0 HB2 SER A 64 -0.740 16.922 -4.392 1.00 3.43 H new ATOM 0 HB3 SER A 64 -0.060 18.113 -3.301 1.00 3.43 H new ATOM 0 HG SER A 64 1.441 17.475 -4.952 1.00 21.32 H new ATOM 968 N HIS A 65 -2.447 16.059 -1.321 1.00 70.11 N ATOM 969 CA HIS A 65 -3.565 16.580 -0.518 1.00 64.54 C ATOM 970 C HIS A 65 -3.996 15.578 0.561 1.00 22.42 C ATOM 971 O HIS A 65 -5.189 15.353 0.802 1.00 22.12 O ATOM 972 CB HIS A 65 -4.702 17.033 -1.452 1.00 30.54 C ATOM 973 CG HIS A 65 -4.421 18.308 -2.213 1.00 63.13 C ATOM 974 ND1 HIS A 65 -4.980 18.656 -3.423 1.00 3.23 N ATOM 975 CD2 HIS A 65 -3.678 19.376 -1.781 1.00 31.25 C ATOM 976 CE1 HIS A 65 -4.576 19.903 -3.720 1.00 2.25 C ATOM 977 NE2 HIS A 65 -3.793 20.390 -2.736 1.00 5.32 N ATOM 0 H HIS A 65 -2.637 15.145 -1.732 1.00 70.11 H new ATOM 0 HA HIS A 65 -3.244 17.461 0.037 1.00 64.54 H new ATOM 0 HB2 HIS A 65 -4.906 16.236 -2.167 1.00 30.54 H new ATOM 0 HB3 HIS A 65 -5.607 17.170 -0.861 1.00 30.54 H new ATOM 0 HD2 HIS A 65 -3.106 19.425 -0.866 1.00 31.25 H new ATOM 0 HE1 HIS A 65 -4.841 20.439 -4.619 1.00 2.25 H new ATOM 0 HE2 HIS A 65 -3.368 21.316 -2.696 1.00 5.32 H new ATOM 985 N VAL A 66 -3.015 14.942 1.201 1.00 51.30 N ATOM 986 CA VAL A 66 -3.198 13.794 2.070 1.00 70.10 C ATOM 987 C VAL A 66 -2.377 13.977 3.365 1.00 41.21 C ATOM 988 O VAL A 66 -1.166 13.761 3.391 1.00 70.34 O ATOM 989 CB VAL A 66 -2.860 12.529 1.250 1.00 71.32 C ATOM 990 CG1 VAL A 66 -1.551 12.613 0.485 1.00 5.02 C ATOM 991 CG2 VAL A 66 -2.933 11.300 2.153 1.00 74.33 C ATOM 0 H VAL A 66 -2.039 15.227 1.122 1.00 51.30 H new ATOM 0 HA VAL A 66 -4.228 13.687 2.412 1.00 70.10 H new ATOM 0 HB VAL A 66 -3.614 12.441 0.467 1.00 71.32 H new ATOM 0 HG11 VAL A 66 -1.390 11.685 -0.063 1.00 5.02 H new ATOM 0 HG12 VAL A 66 -1.592 13.446 -0.216 1.00 5.02 H new ATOM 0 HG13 VAL A 66 -0.730 12.768 1.185 1.00 5.02 H new ATOM 0 HG21 VAL A 66 -2.694 10.408 1.574 1.00 74.33 H new ATOM 0 HG22 VAL A 66 -2.218 11.405 2.969 1.00 74.33 H new ATOM 0 HG23 VAL A 66 -3.939 11.208 2.562 1.00 74.33 H new ATOM 1001 N GLN A 67 -3.036 14.383 4.452 1.00 53.11 N ATOM 1002 CA GLN A 67 -2.430 14.536 5.775 1.00 74.13 C ATOM 1003 C GLN A 67 -1.968 13.196 6.372 1.00 53.02 C ATOM 1004 O GLN A 67 -0.843 13.109 6.867 1.00 14.12 O ATOM 1005 CB GLN A 67 -3.352 15.315 6.743 1.00 21.52 C ATOM 1006 CG GLN A 67 -4.814 14.861 6.884 1.00 2.04 C ATOM 1007 CD GLN A 67 -5.674 15.324 5.710 1.00 41.43 C ATOM 1008 OE1 GLN A 67 -6.104 16.470 5.604 1.00 14.45 O ATOM 1009 NE2 GLN A 67 -5.945 14.444 4.767 1.00 3.21 N ATOM 0 H GLN A 67 -4.028 14.620 4.436 1.00 53.11 H new ATOM 0 HA GLN A 67 -1.530 15.135 5.636 1.00 74.13 H new ATOM 0 HB2 GLN A 67 -2.897 15.282 7.733 1.00 21.52 H new ATOM 0 HB3 GLN A 67 -3.357 16.359 6.429 1.00 21.52 H new ATOM 0 HG2 GLN A 67 -4.851 13.774 6.953 1.00 2.04 H new ATOM 0 HG3 GLN A 67 -5.227 15.254 7.813 1.00 2.04 H new ATOM 0 HE21 GLN A 67 -5.594 13.490 4.844 1.00 3.21 H new ATOM 0 HE22 GLN A 67 -6.506 14.717 3.960 1.00 3.21 H new ATOM 1018 N ASN A 68 -2.808 12.154 6.331 1.00 11.42 N ATOM 1019 CA ASN A 68 -2.467 10.824 6.833 1.00 14.05 C ATOM 1020 C ASN A 68 -2.271 9.944 5.623 1.00 45.10 C ATOM 1021 O ASN A 68 -3.241 9.460 5.034 1.00 25.35 O ATOM 1022 CB ASN A 68 -3.564 10.218 7.716 1.00 30.53 C ATOM 1023 CG ASN A 68 -3.533 10.687 9.152 1.00 33.53 C ATOM 1024 OD1 ASN A 68 -2.508 11.080 9.691 1.00 23.52 O ATOM 1025 ND2 ASN A 68 -4.664 10.618 9.824 1.00 65.44 N ATOM 0 H ASN A 68 -3.750 12.215 5.945 1.00 11.42 H new ATOM 0 HA ASN A 68 -1.574 10.899 7.454 1.00 14.05 H new ATOM 0 HB2 ASN A 68 -4.536 10.462 7.287 1.00 30.53 H new ATOM 0 HB3 ASN A 68 -3.471 9.132 7.698 1.00 30.53 H new ATOM 0 HD21 ASN A 68 -4.692 10.894 10.806 1.00 65.44 H new ATOM 0 HD22 ASN A 68 -5.512 10.288 9.363 1.00 65.44 H new ATOM 1032 N LYS A 69 -1.017 9.738 5.238 1.00 72.44 N ATOM 1033 CA LYS A 69 -0.686 8.875 4.118 1.00 74.20 C ATOM 1034 C LYS A 69 -1.182 7.449 4.391 1.00 1.13 C ATOM 1035 O LYS A 69 -1.660 6.757 3.488 1.00 51.40 O ATOM 1036 CB LYS A 69 0.834 8.920 3.877 1.00 74.20 C ATOM 1037 CG LYS A 69 1.415 10.314 3.582 1.00 74.42 C ATOM 1038 CD LYS A 69 0.876 10.822 2.245 1.00 72.42 C ATOM 1039 CE LYS A 69 1.616 12.036 1.679 1.00 62.50 C ATOM 1040 NZ LYS A 69 1.448 13.252 2.501 1.00 54.14 N ATOM 0 H LYS A 69 -0.208 10.163 5.692 1.00 72.44 H new ATOM 0 HA LYS A 69 -1.184 9.224 3.213 1.00 74.20 H new ATOM 0 HB2 LYS A 69 1.336 8.514 4.755 1.00 74.20 H new ATOM 0 HB3 LYS A 69 1.072 8.262 3.041 1.00 74.20 H new ATOM 0 HG2 LYS A 69 1.148 11.007 4.380 1.00 74.42 H new ATOM 0 HG3 LYS A 69 2.504 10.266 3.552 1.00 74.42 H new ATOM 0 HD2 LYS A 69 0.925 10.012 1.517 1.00 72.42 H new ATOM 0 HD3 LYS A 69 -0.176 11.079 2.367 1.00 72.42 H new ATOM 0 HE2 LYS A 69 2.678 11.802 1.599 1.00 62.50 H new ATOM 0 HE3 LYS A 69 1.257 12.235 0.669 1.00 62.50 H new ATOM 0 HZ1 LYS A 69 1.566 14.094 1.903 1.00 54.14 H new ATOM 0 HZ2 LYS A 69 0.497 13.257 2.923 1.00 54.14 H new ATOM 0 HZ3 LYS A 69 2.162 13.261 3.257 1.00 54.14 H new ATOM 1054 N SER A 70 -1.137 7.027 5.647 1.00 61.12 N ATOM 1055 CA SER A 70 -1.593 5.726 6.096 1.00 54.41 C ATOM 1056 C SER A 70 -3.097 5.585 5.896 1.00 61.33 C ATOM 1057 O SER A 70 -3.555 4.665 5.218 1.00 23.13 O ATOM 1058 CB SER A 70 -1.179 5.524 7.554 1.00 23.52 C ATOM 1059 OG SER A 70 -1.681 6.522 8.430 1.00 24.41 O ATOM 0 H SER A 70 -0.769 7.603 6.404 1.00 61.12 H new ATOM 0 HA SER A 70 -1.125 4.943 5.499 1.00 54.41 H new ATOM 0 HB2 SER A 70 -1.528 4.548 7.890 1.00 23.52 H new ATOM 0 HB3 SER A 70 -0.091 5.512 7.616 1.00 23.52 H new ATOM 0 HG SER A 70 -1.070 6.628 9.189 1.00 24.41 H new ATOM 1065 N ALA A 71 -3.873 6.516 6.459 1.00 22.13 N ATOM 1066 CA ALA A 71 -5.322 6.497 6.342 1.00 51.03 C ATOM 1067 C ALA A 71 -5.781 6.599 4.888 1.00 10.35 C ATOM 1068 O ALA A 71 -6.853 6.096 4.564 1.00 22.11 O ATOM 1069 CB ALA A 71 -5.940 7.626 7.165 1.00 73.24 C ATOM 0 H ALA A 71 -3.510 7.298 7.005 1.00 22.13 H new ATOM 0 HA ALA A 71 -5.664 5.538 6.731 1.00 51.03 H new ATOM 0 HB1 ALA A 71 -7.025 7.597 7.066 1.00 73.24 H new ATOM 0 HB2 ALA A 71 -5.668 7.503 8.213 1.00 73.24 H new ATOM 0 HB3 ALA A 71 -5.568 8.585 6.804 1.00 73.24 H new ATOM 1075 N PHE A 72 -4.986 7.210 4.006 1.00 63.33 N ATOM 1076 CA PHE A 72 -5.304 7.227 2.581 1.00 12.42 C ATOM 1077 C PHE A 72 -5.293 5.806 2.031 1.00 5.43 C ATOM 1078 O PHE A 72 -6.288 5.360 1.460 1.00 3.44 O ATOM 1079 CB PHE A 72 -4.312 8.121 1.845 1.00 72.23 C ATOM 1080 CG PHE A 72 -4.623 8.412 0.389 1.00 30.34 C ATOM 1081 CD1 PHE A 72 -4.431 7.426 -0.601 1.00 50.30 C ATOM 1082 CD2 PHE A 72 -5.035 9.703 0.011 1.00 30.21 C ATOM 1083 CE1 PHE A 72 -4.669 7.726 -1.953 1.00 41.11 C ATOM 1084 CE2 PHE A 72 -5.230 10.012 -1.341 1.00 42.24 C ATOM 1085 CZ PHE A 72 -5.064 9.022 -2.321 1.00 62.10 C ATOM 0 H PHE A 72 -4.124 7.696 4.254 1.00 63.33 H new ATOM 0 HA PHE A 72 -6.303 7.635 2.430 1.00 12.42 H new ATOM 0 HB2 PHE A 72 -4.246 9.070 2.377 1.00 72.23 H new ATOM 0 HB3 PHE A 72 -3.327 7.656 1.899 1.00 72.23 H new ATOM 0 HD1 PHE A 72 -4.100 6.437 -0.319 1.00 50.30 H new ATOM 0 HD2 PHE A 72 -5.201 10.458 0.765 1.00 30.21 H new ATOM 0 HE1 PHE A 72 -4.548 6.962 -2.707 1.00 41.11 H new ATOM 0 HE2 PHE A 72 -5.509 11.015 -1.630 1.00 42.24 H new ATOM 0 HZ PHE A 72 -5.240 9.257 -3.360 1.00 62.10 H new ATOM 1095 N LEU A 73 -4.183 5.091 2.236 1.00 44.04 N ATOM 1096 CA LEU A 73 -3.987 3.731 1.745 1.00 64.14 C ATOM 1097 C LEU A 73 -5.073 2.825 2.304 1.00 74.40 C ATOM 1098 O LEU A 73 -5.803 2.171 1.558 1.00 44.04 O ATOM 1099 CB LEU A 73 -2.583 3.245 2.140 1.00 52.04 C ATOM 1100 CG LEU A 73 -2.294 1.778 1.768 1.00 44.13 C ATOM 1101 CD1 LEU A 73 -2.541 1.432 0.292 1.00 24.34 C ATOM 1102 CD2 LEU A 73 -0.847 1.441 2.110 1.00 10.01 C ATOM 0 H LEU A 73 -3.384 5.451 2.757 1.00 44.04 H new ATOM 0 HA LEU A 73 -4.060 3.708 0.658 1.00 64.14 H new ATOM 0 HB2 LEU A 73 -1.841 3.883 1.659 1.00 52.04 H new ATOM 0 HB3 LEU A 73 -2.458 3.367 3.216 1.00 52.04 H new ATOM 0 HG LEU A 73 -2.999 1.184 2.349 1.00 44.13 H new ATOM 0 HD11 LEU A 73 -2.312 0.380 0.122 1.00 24.34 H new ATOM 0 HD12 LEU A 73 -3.585 1.621 0.044 1.00 24.34 H new ATOM 0 HD13 LEU A 73 -1.901 2.049 -0.338 1.00 24.34 H new ATOM 0 HD21 LEU A 73 -0.643 0.403 1.847 1.00 10.01 H new ATOM 0 HD22 LEU A 73 -0.179 2.095 1.550 1.00 10.01 H new ATOM 0 HD23 LEU A 73 -0.683 1.583 3.178 1.00 10.01 H new ATOM 1114 N CYS A 74 -5.222 2.849 3.626 1.00 41.30 N ATOM 1115 CA CYS A 74 -6.272 2.104 4.303 1.00 44.00 C ATOM 1116 C CYS A 74 -7.674 2.498 3.810 1.00 54.32 C ATOM 1117 O CYS A 74 -8.564 1.654 3.799 1.00 25.44 O ATOM 1118 CB CYS A 74 -6.139 2.251 5.825 1.00 14.45 C ATOM 1119 SG CYS A 74 -5.771 0.632 6.560 1.00 53.04 S ATOM 0 H CYS A 74 -4.620 3.383 4.253 1.00 41.30 H new ATOM 0 HA CYS A 74 -6.146 1.051 4.052 1.00 44.00 H new ATOM 0 HB2 CYS A 74 -5.346 2.960 6.065 1.00 14.45 H new ATOM 0 HB3 CYS A 74 -7.062 2.651 6.244 1.00 14.45 H new ATOM 0 HG CYS A 74 -5.656 0.757 7.849 1.00 53.04 H new ATOM 1125 N GLY A 75 -7.886 3.736 3.358 1.00 21.22 N ATOM 1126 CA GLY A 75 -9.136 4.203 2.774 1.00 63.30 C ATOM 1127 C GLY A 75 -9.430 3.540 1.430 1.00 61.44 C ATOM 1128 O GLY A 75 -10.582 3.181 1.168 1.00 64.40 O ATOM 0 H GLY A 75 -7.168 4.460 3.391 1.00 21.22 H new ATOM 0 HA2 GLY A 75 -9.955 4.000 3.464 1.00 63.30 H new ATOM 0 HA3 GLY A 75 -9.091 5.284 2.642 1.00 63.30 H new ATOM 1132 N VAL A 76 -8.416 3.329 0.588 1.00 61.12 N ATOM 1133 CA VAL A 76 -8.554 2.547 -0.640 1.00 32.51 C ATOM 1134 C VAL A 76 -8.880 1.102 -0.238 1.00 51.43 C ATOM 1135 O VAL A 76 -9.858 0.533 -0.718 1.00 74.43 O ATOM 1136 CB VAL A 76 -7.272 2.687 -1.508 1.00 5.02 C ATOM 1137 CG1 VAL A 76 -7.305 1.866 -2.798 1.00 72.32 C ATOM 1138 CG2 VAL A 76 -7.007 4.150 -1.899 1.00 22.42 C ATOM 0 H VAL A 76 -7.476 3.696 0.739 1.00 61.12 H new ATOM 0 HA VAL A 76 -9.368 2.912 -1.266 1.00 32.51 H new ATOM 0 HB VAL A 76 -6.476 2.303 -0.870 1.00 5.02 H new ATOM 0 HG11 VAL A 76 -6.376 2.016 -3.349 1.00 72.32 H new ATOM 0 HG12 VAL A 76 -7.416 0.809 -2.554 1.00 72.32 H new ATOM 0 HG13 VAL A 76 -8.147 2.187 -3.412 1.00 72.32 H new ATOM 0 HG21 VAL A 76 -6.103 4.207 -2.505 1.00 22.42 H new ATOM 0 HG22 VAL A 76 -7.852 4.532 -2.472 1.00 22.42 H new ATOM 0 HG23 VAL A 76 -6.878 4.750 -0.998 1.00 22.42 H new ATOM 1148 N MET A 77 -8.134 0.514 0.702 1.00 71.40 N ATOM 1149 CA MET A 77 -8.395 -0.849 1.179 1.00 41.12 C ATOM 1150 C MET A 77 -9.798 -1.001 1.757 1.00 50.01 C ATOM 1151 O MET A 77 -10.389 -2.075 1.650 1.00 13.25 O ATOM 1152 CB MET A 77 -7.339 -1.256 2.216 1.00 65.53 C ATOM 1153 CG MET A 77 -6.035 -1.578 1.492 1.00 43.10 C ATOM 1154 SD MET A 77 -4.513 -0.925 2.206 1.00 45.42 S ATOM 1155 CE MET A 77 -4.385 -1.874 3.727 1.00 1.11 C ATOM 0 H MET A 77 -7.337 0.965 1.152 1.00 71.40 H new ATOM 0 HA MET A 77 -8.331 -1.515 0.318 1.00 41.12 H new ATOM 0 HB2 MET A 77 -7.183 -0.449 2.932 1.00 65.53 H new ATOM 0 HB3 MET A 77 -7.680 -2.123 2.782 1.00 65.53 H new ATOM 0 HG2 MET A 77 -5.941 -2.662 1.431 1.00 43.10 H new ATOM 0 HG3 MET A 77 -6.115 -1.207 0.470 1.00 43.10 H new ATOM 0 HE1 MET A 77 -3.453 -1.625 4.234 1.00 1.11 H new ATOM 0 HE2 MET A 77 -5.227 -1.635 4.377 1.00 1.11 H new ATOM 0 HE3 MET A 77 -4.397 -2.939 3.494 1.00 1.11 H new ATOM 1165 N LYS A 78 -10.343 0.041 2.385 1.00 44.13 N ATOM 1166 CA LYS A 78 -11.689 0.038 2.932 1.00 32.25 C ATOM 1167 C LYS A 78 -12.674 -0.265 1.812 1.00 51.12 C ATOM 1168 O LYS A 78 -13.376 -1.267 1.902 1.00 70.40 O ATOM 1169 CB LYS A 78 -11.946 1.365 3.654 1.00 13.43 C ATOM 1170 CG LYS A 78 -13.286 1.399 4.388 1.00 64.11 C ATOM 1171 CD LYS A 78 -13.431 2.754 5.084 1.00 54.10 C ATOM 1172 CE LYS A 78 -14.652 2.721 5.996 1.00 12.31 C ATOM 1173 NZ LYS A 78 -14.921 4.042 6.594 1.00 14.24 N ATOM 0 H LYS A 78 -9.849 0.922 2.527 1.00 44.13 H new ATOM 0 HA LYS A 78 -11.819 -0.743 3.681 1.00 32.25 H new ATOM 0 HB2 LYS A 78 -11.143 1.544 4.368 1.00 13.43 H new ATOM 0 HB3 LYS A 78 -11.915 2.178 2.929 1.00 13.43 H new ATOM 0 HG2 LYS A 78 -14.105 1.246 3.686 1.00 64.11 H new ATOM 0 HG3 LYS A 78 -13.337 0.592 5.119 1.00 64.11 H new ATOM 0 HD2 LYS A 78 -12.535 2.976 5.664 1.00 54.10 H new ATOM 0 HD3 LYS A 78 -13.536 3.547 4.344 1.00 54.10 H new ATOM 0 HE2 LYS A 78 -15.523 2.395 5.427 1.00 12.31 H new ATOM 0 HE3 LYS A 78 -14.496 1.988 6.787 1.00 12.31 H new ATOM 0 HZ1 LYS A 78 -15.758 3.981 7.208 1.00 14.24 H new ATOM 0 HZ2 LYS A 78 -14.100 4.342 7.157 1.00 14.24 H new ATOM 0 HZ3 LYS A 78 -15.095 4.736 5.839 1.00 14.24 H new ATOM 1187 N THR A 79 -12.694 0.545 0.750 1.00 21.12 N ATOM 1188 CA THR A 79 -13.585 0.291 -0.370 1.00 21.42 C ATOM 1189 C THR A 79 -13.239 -1.052 -1.027 1.00 33.12 C ATOM 1190 O THR A 79 -14.110 -1.900 -1.131 1.00 32.13 O ATOM 1191 CB THR A 79 -13.671 1.511 -1.304 1.00 74.12 C ATOM 1192 OG1 THR A 79 -14.683 1.321 -2.269 1.00 32.23 O ATOM 1193 CG2 THR A 79 -12.383 1.907 -2.006 1.00 4.45 C ATOM 0 H THR A 79 -12.107 1.373 0.648 1.00 21.12 H new ATOM 0 HA THR A 79 -14.611 0.170 -0.023 1.00 21.42 H new ATOM 0 HB THR A 79 -13.903 2.339 -0.634 1.00 74.12 H new ATOM 0 HG1 THR A 79 -14.728 2.105 -2.855 1.00 32.23 H new ATOM 0 HG21 THR A 79 -12.565 2.778 -2.636 1.00 4.45 H new ATOM 0 HG22 THR A 79 -11.623 2.149 -1.263 1.00 4.45 H new ATOM 0 HG23 THR A 79 -12.036 1.079 -2.623 1.00 4.45 H new ATOM 1201 N TYR A 80 -11.983 -1.343 -1.372 1.00 50.31 N ATOM 1202 CA TYR A 80 -11.602 -2.574 -2.071 1.00 65.24 C ATOM 1203 C TYR A 80 -12.132 -3.905 -1.506 1.00 50.02 C ATOM 1204 O TYR A 80 -12.296 -4.863 -2.272 1.00 42.12 O ATOM 1205 CB TYR A 80 -10.080 -2.635 -2.158 1.00 11.32 C ATOM 1206 CG TYR A 80 -9.580 -2.220 -3.511 1.00 4.24 C ATOM 1207 CD1 TYR A 80 -9.604 -3.155 -4.549 1.00 44.20 C ATOM 1208 CD2 TYR A 80 -9.111 -0.921 -3.740 1.00 22.52 C ATOM 1209 CE1 TYR A 80 -9.145 -2.805 -5.824 1.00 51.04 C ATOM 1210 CE2 TYR A 80 -8.619 -0.566 -5.004 1.00 30.34 C ATOM 1211 CZ TYR A 80 -8.672 -1.497 -6.067 1.00 35.43 C ATOM 1212 OH TYR A 80 -8.336 -1.119 -7.330 1.00 14.13 O ATOM 0 H TYR A 80 -11.195 -0.727 -1.173 1.00 50.31 H new ATOM 0 HA TYR A 80 -12.088 -2.494 -3.043 1.00 65.24 H new ATOM 0 HB2 TYR A 80 -9.647 -1.987 -1.396 1.00 11.32 H new ATOM 0 HB3 TYR A 80 -9.744 -3.649 -1.942 1.00 11.32 H new ATOM 0 HD1 TYR A 80 -9.978 -4.152 -4.367 1.00 44.20 H new ATOM 0 HD2 TYR A 80 -9.128 -0.192 -2.943 1.00 22.52 H new ATOM 0 HE1 TYR A 80 -9.153 -3.534 -6.621 1.00 51.04 H new ATOM 0 HE2 TYR A 80 -8.200 0.416 -5.165 1.00 30.34 H new ATOM 0 HH TYR A 80 -7.372 -1.235 -7.461 1.00 14.13 H new ATOM 1222 N ARG A 81 -12.386 -4.006 -0.199 1.00 50.31 N ATOM 1223 CA ARG A 81 -12.967 -5.204 0.423 1.00 30.15 C ATOM 1224 C ARG A 81 -14.355 -4.945 1.021 1.00 33.41 C ATOM 1225 O ARG A 81 -14.964 -5.895 1.513 1.00 52.02 O ATOM 1226 CB ARG A 81 -11.948 -5.839 1.398 1.00 11.44 C ATOM 1227 CG ARG A 81 -11.247 -7.099 0.840 1.00 12.34 C ATOM 1228 CD ARG A 81 -11.866 -8.380 1.426 1.00 63.50 C ATOM 1229 NE ARG A 81 -11.320 -9.619 0.837 1.00 62.34 N ATOM 1230 CZ ARG A 81 -10.200 -10.273 1.178 1.00 61.53 C ATOM 1231 NH1 ARG A 81 -9.327 -9.755 2.040 1.00 44.02 N ATOM 1232 NH2 ARG A 81 -9.978 -11.463 0.631 1.00 12.32 N ATOM 0 H ARG A 81 -12.194 -3.255 0.464 1.00 50.31 H new ATOM 0 HA ARG A 81 -13.160 -5.947 -0.351 1.00 30.15 H new ATOM 0 HB2 ARG A 81 -11.191 -5.097 1.651 1.00 11.44 H new ATOM 0 HB3 ARG A 81 -12.460 -6.100 2.324 1.00 11.44 H new ATOM 0 HG2 ARG A 81 -11.331 -7.115 -0.247 1.00 12.34 H new ATOM 0 HG3 ARG A 81 -10.184 -7.063 1.077 1.00 12.34 H new ATOM 0 HD2 ARG A 81 -11.700 -8.395 2.503 1.00 63.50 H new ATOM 0 HD3 ARG A 81 -12.945 -8.357 1.270 1.00 63.50 H new ATOM 0 HE ARG A 81 -11.862 -10.028 0.076 1.00 62.34 H new ATOM 0 HH11 ARG A 81 -9.503 -8.841 2.457 1.00 44.02 H new ATOM 0 HH12 ARG A 81 -8.482 -10.272 2.283 1.00 44.02 H new ATOM 0 HH21 ARG A 81 -10.650 -11.855 -0.028 1.00 12.32 H new ATOM 0 HH22 ARG A 81 -9.135 -11.985 0.870 1.00 12.32 H new ATOM 1246 N GLN A 82 -14.893 -3.726 0.929 1.00 54.13 N ATOM 1247 CA GLN A 82 -16.299 -3.387 1.044 1.00 4.14 C ATOM 1248 C GLN A 82 -16.712 -2.551 -0.188 1.00 10.03 C ATOM 1249 O GLN A 82 -16.865 -1.325 -0.098 1.00 54.10 O ATOM 1250 CB GLN A 82 -16.521 -2.600 2.342 1.00 72.32 C ATOM 1251 CG GLN A 82 -16.664 -3.422 3.628 1.00 54.21 C ATOM 1252 CD GLN A 82 -17.717 -2.786 4.537 1.00 4.12 C ATOM 1253 OE1 GLN A 82 -17.442 -1.872 5.320 1.00 24.15 O ATOM 1254 NE2 GLN A 82 -18.962 -3.214 4.414 1.00 5.15 N ATOM 0 H GLN A 82 -14.315 -2.903 0.761 1.00 54.13 H new ATOM 0 HA GLN A 82 -16.911 -4.288 1.078 1.00 4.14 H new ATOM 0 HB2 GLN A 82 -15.686 -1.911 2.469 1.00 72.32 H new ATOM 0 HB3 GLN A 82 -17.419 -1.994 2.223 1.00 72.32 H new ATOM 0 HG2 GLN A 82 -16.950 -4.446 3.386 1.00 54.21 H new ATOM 0 HG3 GLN A 82 -15.706 -3.473 4.146 1.00 54.21 H new ATOM 0 HE21 GLN A 82 -19.180 -3.970 3.764 1.00 5.15 H new ATOM 0 HE22 GLN A 82 -19.705 -2.788 4.969 1.00 5.15 H new ATOM 1263 N ARG A 83 -16.861 -3.195 -1.353 1.00 73.54 N ATOM 1264 CA ARG A 83 -17.193 -2.551 -2.639 1.00 45.20 C ATOM 1265 C ARG A 83 -18.440 -3.149 -3.294 1.00 1.03 C ATOM 1266 O ARG A 83 -18.748 -2.817 -4.438 1.00 45.01 O ATOM 1267 CB ARG A 83 -15.988 -2.561 -3.605 1.00 42.32 C ATOM 1268 CG ARG A 83 -15.384 -3.953 -3.857 1.00 45.21 C ATOM 1269 CD ARG A 83 -14.427 -3.898 -5.063 1.00 5.03 C ATOM 1270 NE ARG A 83 -14.066 -5.223 -5.596 1.00 5.05 N ATOM 1271 CZ ARG A 83 -14.896 -6.046 -6.249 1.00 75.31 C ATOM 1272 NH1 ARG A 83 -16.165 -5.698 -6.451 1.00 75.43 N ATOM 1273 NH2 ARG A 83 -14.459 -7.214 -6.699 1.00 31.41 N ATOM 0 H ARG A 83 -16.752 -4.206 -1.433 1.00 73.54 H new ATOM 0 HA ARG A 83 -17.430 -1.512 -2.412 1.00 45.20 H new ATOM 0 HB2 ARG A 83 -16.300 -2.136 -4.559 1.00 42.32 H new ATOM 0 HB3 ARG A 83 -15.212 -1.909 -3.204 1.00 42.32 H new ATOM 0 HG2 ARG A 83 -14.847 -4.292 -2.971 1.00 45.21 H new ATOM 0 HG3 ARG A 83 -16.178 -4.675 -4.045 1.00 45.21 H new ATOM 0 HD2 ARG A 83 -14.890 -3.311 -5.856 1.00 5.03 H new ATOM 0 HD3 ARG A 83 -13.517 -3.374 -4.769 1.00 5.03 H new ATOM 0 HE ARG A 83 -13.106 -5.539 -5.456 1.00 5.05 H new ATOM 0 HH11 ARG A 83 -16.509 -4.801 -6.108 1.00 75.43 H new ATOM 0 HH12 ARG A 83 -16.794 -6.328 -6.949 1.00 75.43 H new ATOM 0 HH21 ARG A 83 -13.488 -7.488 -6.548 1.00 31.41 H new ATOM 0 HH22 ARG A 83 -15.094 -7.839 -7.196 1.00 31.41 H new ATOM 1287 N GLU A 84 -19.141 -4.024 -2.584 1.00 34.32 N ATOM 1288 CA GLU A 84 -20.377 -4.709 -2.968 1.00 23.32 C ATOM 1289 C GLU A 84 -21.594 -3.885 -2.527 1.00 31.11 C ATOM 1290 O GLU A 84 -22.500 -4.361 -1.842 1.00 5.04 O ATOM 1291 CB GLU A 84 -20.339 -6.131 -2.392 1.00 32.52 C ATOM 1292 CG GLU A 84 -20.096 -6.201 -0.871 1.00 22.55 C ATOM 1293 CD GLU A 84 -21.328 -6.542 -0.027 1.00 1.21 C ATOM 1294 OE1 GLU A 84 -21.926 -7.620 -0.254 1.00 52.44 O ATOM 1295 OE2 GLU A 84 -21.599 -5.776 0.926 1.00 14.44 O ATOM 0 H GLU A 84 -18.839 -4.297 -1.649 1.00 34.32 H new ATOM 0 HA GLU A 84 -20.466 -4.801 -4.051 1.00 23.32 H new ATOM 0 HB2 GLU A 84 -21.283 -6.626 -2.619 1.00 32.52 H new ATOM 0 HB3 GLU A 84 -19.554 -6.693 -2.898 1.00 32.52 H new ATOM 0 HG2 GLU A 84 -19.325 -6.947 -0.677 1.00 22.55 H new ATOM 0 HG3 GLU A 84 -19.702 -5.241 -0.538 1.00 22.55 H new ATOM 1302 N LYS A 85 -21.552 -2.603 -2.880 1.00 72.22 N ATOM 1303 CA LYS A 85 -22.577 -1.612 -2.590 1.00 72.22 C ATOM 1304 C LYS A 85 -23.876 -1.982 -3.268 1.00 3.44 C ATOM 1305 O LYS A 85 -23.865 -2.220 -4.492 1.00 32.12 O ATOM 1306 CB LYS A 85 -22.130 -0.230 -3.081 1.00 53.14 C ATOM 1307 CG LYS A 85 -21.066 0.422 -2.199 1.00 22.23 C ATOM 1308 CD LYS A 85 -21.597 0.585 -0.768 1.00 11.25 C ATOM 1309 CE LYS A 85 -20.968 1.776 -0.060 1.00 12.25 C ATOM 1310 NZ LYS A 85 -19.518 1.635 0.141 1.00 54.44 N ATOM 0 H LYS A 85 -20.766 -2.212 -3.399 1.00 72.22 H new ATOM 0 HA LYS A 85 -22.729 -1.585 -1.511 1.00 72.22 H new ATOM 0 HB2 LYS A 85 -21.741 -0.323 -4.095 1.00 53.14 H new ATOM 0 HB3 LYS A 85 -22.999 0.426 -3.132 1.00 53.14 H new ATOM 0 HG2 LYS A 85 -20.163 -0.188 -2.193 1.00 22.23 H new ATOM 0 HG3 LYS A 85 -20.791 1.395 -2.606 1.00 22.23 H new ATOM 0 HD2 LYS A 85 -22.680 0.709 -0.795 1.00 11.25 H new ATOM 0 HD3 LYS A 85 -21.394 -0.323 -0.200 1.00 11.25 H new ATOM 0 HE2 LYS A 85 -21.161 2.678 -0.640 1.00 12.25 H new ATOM 0 HE3 LYS A 85 -21.450 1.910 0.908 1.00 12.25 H new ATOM 0 HZ1 LYS A 85 -19.151 2.478 0.627 1.00 54.44 H new ATOM 0 HZ2 LYS A 85 -19.328 0.792 0.719 1.00 54.44 H new ATOM 0 HZ3 LYS A 85 -19.048 1.536 -0.781 1.00 54.44 H new TER 1324 LYS A 85