USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 797 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 64 SER OG : rot 140:sc= 0.181 USER MOD Set 1.2: A 87 MET CE :methyl -124:sc= -0.696 (180deg=-2.47!) USER MOD Set 1.3: A 94 CYS SG : rot 171:sc= -0.259 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 33 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 MET CE :methyl -147:sc= -0.449 (180deg=-1.03) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 64:sc= 1.17 USER MOD Single : A 53 SER OG : rot -38:sc= 0.0514 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0824 USER MOD Single : A 67 THR OG1 : rot -44:sc= 0.73 USER MOD Single : A 68 HIS : no HD1:sc= -1.74! C(o=-1.7!,f=-3.1!) USER MOD Single : A 71 MET CE :methyl 177:sc= -1.78 (180deg=-1.84) USER MOD Single : A 74 THR OG1 : rot 57:sc= -0.338 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 77:sc= 0.0943 USER MOD Single : A 83 GLN : amide:sc= -1.95! K(o=-1.9!,f=-0.29) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -88:sc= 0.856 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 108 SER OG : rot -99:sc= 0.365 USER MOD Single : A 113 GLN : amide:sc= -1.02 K(o=-1,f=-0.03) USER MOD Single : A 119 CYS SG : rot 180:sc= 0.00132 USER MOD Single : A 121 HIS : no HD1:sc= -0.148 K(o=-0.15,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 20 -5.510 -6.329 18.323 1.00 10.18 N ATOM 2 CA GLY A 20 -4.778 -5.446 17.386 1.00 9.43 C ATOM 3 C GLY A 20 -3.800 -6.220 16.531 1.00 8.28 C ATOM 4 O GLY A 20 -3.444 -7.354 16.857 1.00 7.90 O ATOM 0 HA2 GLY A 20 -5.490 -4.927 16.744 1.00 9.43 H new ATOM 0 HA3 GLY A 20 -4.242 -4.682 17.950 1.00 9.43 H new ATOM 10 N THR A 21 -3.362 -5.618 15.436 1.00 7.85 N ATOM 11 CA THR A 21 -2.436 -6.274 14.532 1.00 6.80 C ATOM 12 C THR A 21 -1.235 -5.377 14.267 1.00 6.02 C ATOM 13 O THR A 21 -1.392 -4.233 13.837 1.00 6.28 O ATOM 14 CB THR A 21 -3.113 -6.613 13.188 1.00 6.86 C ATOM 15 OG1 THR A 21 -4.502 -6.904 13.399 1.00 7.76 O ATOM 16 CG2 THR A 21 -2.442 -7.809 12.529 1.00 7.10 C ATOM 0 H THR A 21 -3.634 -4.676 15.154 1.00 7.85 H new ATOM 0 HA THR A 21 -2.111 -7.199 15.008 1.00 6.80 H new ATOM 0 HB THR A 21 -3.014 -5.749 12.531 1.00 6.86 H new ATOM 0 HG1 THR A 21 -4.926 -7.117 12.541 1.00 7.76 H new ATOM 0 HG21 THR A 21 -2.937 -8.028 11.583 1.00 7.10 H new ATOM 0 HG22 THR A 21 -1.392 -7.581 12.345 1.00 7.10 H new ATOM 0 HG23 THR A 21 -2.515 -8.675 13.186 1.00 7.10 H new ATOM 24 N PRO A 22 -0.025 -5.870 14.555 1.00 5.40 N ATOM 25 CA PRO A 22 1.211 -5.155 14.230 1.00 4.94 C ATOM 26 C PRO A 22 1.331 -4.928 12.726 1.00 4.22 C ATOM 27 O PRO A 22 0.782 -5.700 11.937 1.00 3.77 O ATOM 28 CB PRO A 22 2.318 -6.096 14.725 1.00 4.80 C ATOM 29 CG PRO A 22 1.669 -7.431 14.850 1.00 5.20 C ATOM 30 CD PRO A 22 0.240 -7.156 15.218 1.00 5.57 C ATOM 0 HA PRO A 22 1.257 -4.167 14.688 1.00 4.94 H new ATOM 0 HB2 PRO A 22 3.151 -6.127 14.023 1.00 4.80 H new ATOM 0 HB3 PRO A 22 2.720 -5.762 15.682 1.00 4.80 H new ATOM 0 HG2 PRO A 22 1.732 -7.986 13.914 1.00 5.20 H new ATOM 0 HG3 PRO A 22 2.160 -8.035 15.613 1.00 5.20 H new ATOM 0 HD2 PRO A 22 -0.428 -7.940 14.861 1.00 5.57 H new ATOM 0 HD3 PRO A 22 0.106 -7.090 16.298 1.00 5.57 H new ATOM 38 N PRO A 23 2.032 -3.859 12.309 1.00 4.46 N ATOM 39 CA PRO A 23 2.201 -3.509 10.892 1.00 4.09 C ATOM 40 C PRO A 23 3.053 -4.524 10.127 1.00 2.90 C ATOM 41 O PRO A 23 4.164 -4.219 9.690 1.00 3.02 O ATOM 42 CB PRO A 23 2.899 -2.142 10.928 1.00 5.06 C ATOM 43 CG PRO A 23 2.756 -1.660 12.332 1.00 5.96 C ATOM 44 CD PRO A 23 2.707 -2.893 13.184 1.00 5.49 C ATOM 0 HA PRO A 23 1.244 -3.497 10.371 1.00 4.09 H new ATOM 0 HB2 PRO A 23 3.949 -2.230 10.648 1.00 5.06 H new ATOM 0 HB3 PRO A 23 2.439 -1.447 10.225 1.00 5.06 H new ATOM 0 HG2 PRO A 23 3.594 -1.023 12.614 1.00 5.96 H new ATOM 0 HG3 PRO A 23 1.850 -1.066 12.451 1.00 5.96 H new ATOM 0 HD2 PRO A 23 3.704 -3.230 13.467 1.00 5.49 H new ATOM 0 HD3 PRO A 23 2.153 -2.726 14.108 1.00 5.49 H new ATOM 52 N SER A 24 2.528 -5.729 9.989 1.00 2.34 N ATOM 53 CA SER A 24 3.157 -6.756 9.183 1.00 1.74 C ATOM 54 C SER A 24 2.962 -6.416 7.713 1.00 1.44 C ATOM 55 O SER A 24 1.858 -6.065 7.291 1.00 2.02 O ATOM 56 CB SER A 24 2.547 -8.125 9.511 1.00 2.46 C ATOM 57 OG SER A 24 3.194 -9.171 8.800 1.00 2.89 O ATOM 0 H SER A 24 1.657 -6.021 10.432 1.00 2.34 H new ATOM 0 HA SER A 24 4.224 -6.800 9.401 1.00 1.74 H new ATOM 0 HB2 SER A 24 2.624 -8.311 10.582 1.00 2.46 H new ATOM 0 HB3 SER A 24 1.485 -8.119 9.264 1.00 2.46 H new ATOM 0 HG SER A 24 2.782 -10.029 9.034 1.00 2.89 H new ATOM 63 N THR A 25 4.027 -6.497 6.935 1.00 1.09 N ATOM 64 CA THR A 25 3.966 -6.078 5.553 1.00 0.85 C ATOM 65 C THR A 25 4.361 -7.231 4.619 1.00 1.01 C ATOM 66 O THR A 25 3.733 -8.292 4.656 1.00 1.99 O ATOM 67 CB THR A 25 4.852 -4.832 5.313 1.00 0.70 C ATOM 68 OG1 THR A 25 6.243 -5.158 5.424 1.00 0.83 O ATOM 69 CG2 THR A 25 4.537 -3.732 6.315 1.00 0.96 C ATOM 0 H THR A 25 4.936 -6.847 7.237 1.00 1.09 H new ATOM 0 HA THR A 25 2.937 -5.800 5.325 1.00 0.85 H new ATOM 0 HB THR A 25 4.636 -4.482 4.304 1.00 0.70 H new ATOM 0 HG1 THR A 25 6.781 -4.354 5.266 1.00 0.83 H new ATOM 0 HG21 THR A 25 5.175 -2.870 6.121 1.00 0.96 H new ATOM 0 HG22 THR A 25 3.492 -3.439 6.217 1.00 0.96 H new ATOM 0 HG23 THR A 25 4.718 -4.098 7.326 1.00 0.96 H new ATOM 77 N ARG A 26 5.405 -7.038 3.811 1.00 0.78 N ATOM 78 CA ARG A 26 5.898 -8.071 2.910 1.00 0.81 C ATOM 79 C ARG A 26 7.114 -7.567 2.139 1.00 0.79 C ATOM 80 O ARG A 26 8.230 -8.025 2.368 1.00 0.95 O ATOM 81 CB ARG A 26 4.804 -8.522 1.933 1.00 1.04 C ATOM 82 CG ARG A 26 5.103 -9.839 1.226 1.00 1.15 C ATOM 83 CD ARG A 26 6.046 -9.670 0.044 1.00 1.19 C ATOM 84 NE ARG A 26 6.181 -10.903 -0.732 1.00 1.65 N ATOM 85 CZ ARG A 26 6.277 -10.935 -2.060 1.00 1.90 C ATOM 86 NH1 ARG A 26 6.301 -9.801 -2.747 1.00 2.06 N ATOM 87 NH2 ARG A 26 6.354 -12.095 -2.697 1.00 2.51 N ATOM 0 H ARG A 26 5.928 -6.163 3.766 1.00 0.78 H new ATOM 0 HA ARG A 26 6.191 -8.930 3.513 1.00 0.81 H new ATOM 0 HB2 ARG A 26 3.864 -8.619 2.477 1.00 1.04 H new ATOM 0 HB3 ARG A 26 4.659 -7.744 1.183 1.00 1.04 H new ATOM 0 HG2 ARG A 26 5.542 -10.538 1.938 1.00 1.15 H new ATOM 0 HG3 ARG A 26 4.169 -10.281 0.880 1.00 1.15 H new ATOM 0 HD2 ARG A 26 5.677 -8.874 -0.603 1.00 1.19 H new ATOM 0 HD3 ARG A 26 7.027 -9.360 0.404 1.00 1.19 H new ATOM 0 HE ARG A 26 6.203 -11.789 -0.227 1.00 1.65 H new ATOM 0 HH11 ARG A 26 6.246 -8.907 -2.258 1.00 2.06 H new ATOM 0 HH12 ARG A 26 6.374 -9.822 -3.764 1.00 2.06 H new ATOM 0 HH21 ARG A 26 6.340 -12.968 -2.170 1.00 2.51 H new ATOM 0 HH22 ARG A 26 6.427 -12.114 -3.714 1.00 2.51 H new ATOM 101 N PHE A 27 6.891 -6.616 1.237 1.00 0.72 N ATOM 102 CA PHE A 27 7.949 -6.146 0.348 1.00 0.77 C ATOM 103 C PHE A 27 8.301 -4.683 0.610 1.00 0.71 C ATOM 104 O PHE A 27 7.493 -3.783 0.366 1.00 0.72 O ATOM 105 CB PHE A 27 7.524 -6.329 -1.112 1.00 0.88 C ATOM 106 CG PHE A 27 8.515 -5.792 -2.112 1.00 0.78 C ATOM 107 CD1 PHE A 27 9.756 -6.391 -2.266 1.00 0.89 C ATOM 108 CD2 PHE A 27 8.203 -4.693 -2.896 1.00 0.96 C ATOM 109 CE1 PHE A 27 10.665 -5.903 -3.185 1.00 1.25 C ATOM 110 CE2 PHE A 27 9.110 -4.202 -3.816 1.00 1.35 C ATOM 111 CZ PHE A 27 10.344 -4.793 -3.952 1.00 1.51 C ATOM 0 H PHE A 27 5.990 -6.157 1.102 1.00 0.72 H new ATOM 0 HA PHE A 27 8.840 -6.742 0.547 1.00 0.77 H new ATOM 0 HB2 PHE A 27 7.369 -7.391 -1.304 1.00 0.88 H new ATOM 0 HB3 PHE A 27 6.565 -5.834 -1.265 1.00 0.88 H new ATOM 0 HD1 PHE A 27 10.015 -7.248 -1.661 1.00 0.89 H new ATOM 0 HD2 PHE A 27 7.241 -4.215 -2.787 1.00 0.96 H new ATOM 0 HE1 PHE A 27 11.624 -6.385 -3.306 1.00 1.25 H new ATOM 0 HE2 PHE A 27 8.849 -3.352 -4.429 1.00 1.35 H new ATOM 0 HZ PHE A 27 11.061 -4.394 -4.654 1.00 1.51 H new ATOM 121 N PRO A 28 9.513 -4.429 1.116 1.00 0.72 N ATOM 122 CA PRO A 28 10.014 -3.074 1.306 1.00 0.81 C ATOM 123 C PRO A 28 10.579 -2.492 0.004 1.00 1.01 C ATOM 124 O PRO A 28 11.733 -2.721 -0.357 1.00 2.02 O ATOM 125 CB PRO A 28 11.097 -3.256 2.367 1.00 0.91 C ATOM 126 CG PRO A 28 11.614 -4.643 2.159 1.00 1.03 C ATOM 127 CD PRO A 28 10.489 -5.444 1.550 1.00 0.76 C ATOM 0 HA PRO A 28 9.240 -2.368 1.606 1.00 0.81 H new ATOM 0 HB2 PRO A 28 11.891 -2.518 2.252 1.00 0.91 H new ATOM 0 HB3 PRO A 28 10.691 -3.133 3.371 1.00 0.91 H new ATOM 0 HG2 PRO A 28 12.483 -4.636 1.501 1.00 1.03 H new ATOM 0 HG3 PRO A 28 11.933 -5.082 3.104 1.00 1.03 H new ATOM 0 HD2 PRO A 28 10.838 -6.045 0.710 1.00 0.76 H new ATOM 0 HD3 PRO A 28 10.052 -6.131 2.275 1.00 0.76 H new ATOM 135 N GLY A 29 9.727 -1.758 -0.696 1.00 0.67 N ATOM 136 CA GLY A 29 10.077 -1.173 -1.983 1.00 0.68 C ATOM 137 C GLY A 29 8.893 -0.412 -2.536 1.00 0.65 C ATOM 138 O GLY A 29 9.033 0.584 -3.244 1.00 0.86 O ATOM 0 H GLY A 29 8.776 -1.551 -0.390 1.00 0.67 H new ATOM 0 HA2 GLY A 29 10.930 -0.504 -1.869 1.00 0.68 H new ATOM 0 HA3 GLY A 29 10.376 -1.956 -2.680 1.00 0.68 H new ATOM 142 N VAL A 30 7.721 -0.910 -2.182 1.00 0.69 N ATOM 143 CA VAL A 30 6.481 -0.190 -2.388 1.00 0.68 C ATOM 144 C VAL A 30 5.810 -0.038 -1.038 1.00 0.70 C ATOM 145 O VAL A 30 5.311 -1.006 -0.466 1.00 0.75 O ATOM 146 CB VAL A 30 5.515 -0.889 -3.377 1.00 0.70 C ATOM 147 CG1 VAL A 30 4.213 -0.107 -3.478 1.00 1.01 C ATOM 148 CG2 VAL A 30 6.139 -1.029 -4.758 1.00 1.15 C ATOM 0 H VAL A 30 7.604 -1.824 -1.744 1.00 0.69 H new ATOM 0 HA VAL A 30 6.720 0.774 -2.837 1.00 0.68 H new ATOM 0 HB VAL A 30 5.311 -1.889 -2.993 1.00 0.70 H new ATOM 0 HG11 VAL A 30 3.541 -0.607 -4.176 1.00 1.01 H new ATOM 0 HG12 VAL A 30 3.743 -0.055 -2.496 1.00 1.01 H new ATOM 0 HG13 VAL A 30 4.421 0.902 -3.835 1.00 1.01 H new ATOM 0 HG21 VAL A 30 5.435 -1.523 -5.427 1.00 1.15 H new ATOM 0 HG22 VAL A 30 6.380 -0.041 -5.150 1.00 1.15 H new ATOM 0 HG23 VAL A 30 7.050 -1.623 -4.687 1.00 1.15 H new ATOM 158 N ALA A 31 5.839 1.170 -0.510 1.00 0.71 N ATOM 159 CA ALA A 31 5.283 1.433 0.801 1.00 0.73 C ATOM 160 C ALA A 31 4.040 2.281 0.663 1.00 0.65 C ATOM 161 O ALA A 31 4.102 3.443 0.266 1.00 0.76 O ATOM 162 CB ALA A 31 6.311 2.095 1.700 1.00 0.84 C ATOM 0 H ALA A 31 6.243 1.986 -0.970 1.00 0.71 H new ATOM 0 HA ALA A 31 5.007 0.488 1.269 1.00 0.73 H new ATOM 0 HB1 ALA A 31 5.871 2.283 2.679 1.00 0.84 H new ATOM 0 HB2 ALA A 31 7.174 1.439 1.810 1.00 0.84 H new ATOM 0 HB3 ALA A 31 6.627 3.039 1.257 1.00 0.84 H new ATOM 168 N ILE A 32 2.914 1.674 0.962 1.00 0.57 N ATOM 169 CA ILE A 32 1.625 2.289 0.733 1.00 0.48 C ATOM 170 C ILE A 32 1.092 2.946 1.988 1.00 0.44 C ATOM 171 O ILE A 32 0.887 2.284 3.000 1.00 0.54 O ATOM 172 CB ILE A 32 0.624 1.221 0.280 1.00 0.49 C ATOM 173 CG1 ILE A 32 1.264 0.374 -0.822 1.00 0.59 C ATOM 174 CG2 ILE A 32 -0.662 1.862 -0.203 1.00 0.49 C ATOM 175 CD1 ILE A 32 0.478 -0.857 -1.193 1.00 0.67 C ATOM 0 H ILE A 32 2.865 0.741 1.371 1.00 0.57 H new ATOM 0 HA ILE A 32 1.752 3.052 -0.035 1.00 0.48 H new ATOM 0 HB ILE A 32 0.371 0.578 1.123 1.00 0.49 H new ATOM 0 HG12 ILE A 32 1.391 0.991 -1.711 1.00 0.59 H new ATOM 0 HG13 ILE A 32 2.260 0.071 -0.499 1.00 0.59 H new ATOM 0 HG21 ILE A 32 -1.359 1.086 -0.520 1.00 0.49 H new ATOM 0 HG22 ILE A 32 -1.107 2.440 0.607 1.00 0.49 H new ATOM 0 HG23 ILE A 32 -0.446 2.521 -1.044 1.00 0.49 H new ATOM 0 HD11 ILE A 32 1.002 -1.399 -1.980 1.00 0.67 H new ATOM 0 HD12 ILE A 32 0.373 -1.499 -0.318 1.00 0.67 H new ATOM 0 HD13 ILE A 32 -0.510 -0.564 -1.549 1.00 0.67 H new ATOM 187 N TYR A 33 0.846 4.236 1.907 1.00 0.38 N ATOM 188 CA TYR A 33 0.242 4.948 3.014 1.00 0.38 C ATOM 189 C TYR A 33 -1.209 5.219 2.693 1.00 0.34 C ATOM 190 O TYR A 33 -1.546 5.713 1.618 1.00 0.41 O ATOM 191 CB TYR A 33 0.975 6.266 3.292 1.00 0.54 C ATOM 192 CG TYR A 33 0.515 6.971 4.551 1.00 0.58 C ATOM 193 CD1 TYR A 33 -0.635 7.752 4.559 1.00 0.56 C ATOM 194 CD2 TYR A 33 1.232 6.854 5.734 1.00 1.01 C ATOM 195 CE1 TYR A 33 -1.059 8.387 5.710 1.00 0.64 C ATOM 196 CE2 TYR A 33 0.816 7.489 6.888 1.00 1.18 C ATOM 197 CZ TYR A 33 -0.331 8.253 6.871 1.00 0.90 C ATOM 198 OH TYR A 33 -0.754 8.882 8.019 1.00 1.11 O ATOM 0 H TYR A 33 1.053 4.811 1.091 1.00 0.38 H new ATOM 0 HA TYR A 33 0.316 4.332 3.910 1.00 0.38 H new ATOM 0 HB2 TYR A 33 2.044 6.067 3.369 1.00 0.54 H new ATOM 0 HB3 TYR A 33 0.836 6.934 2.442 1.00 0.54 H new ATOM 0 HD1 TYR A 33 -1.207 7.864 3.650 1.00 0.56 H new ATOM 0 HD2 TYR A 33 2.131 6.256 5.752 1.00 1.01 H new ATOM 0 HE1 TYR A 33 -1.958 8.986 5.699 1.00 0.64 H new ATOM 0 HE2 TYR A 33 1.387 7.387 7.799 1.00 1.18 H new ATOM 0 HH TYR A 33 -1.731 8.959 8.009 1.00 1.11 H new ATOM 208 N LEU A 34 -2.056 4.905 3.649 1.00 0.33 N ATOM 209 CA LEU A 34 -3.491 5.019 3.477 1.00 0.36 C ATOM 210 C LEU A 34 -4.024 5.962 4.541 1.00 0.31 C ATOM 211 O LEU A 34 -3.777 5.762 5.732 1.00 0.35 O ATOM 212 CB LEU A 34 -4.139 3.647 3.611 1.00 0.45 C ATOM 213 CG LEU A 34 -3.447 2.539 2.819 1.00 0.64 C ATOM 214 CD1 LEU A 34 -3.485 1.235 3.594 1.00 1.18 C ATOM 215 CD2 LEU A 34 -4.105 2.369 1.463 1.00 1.06 C ATOM 0 H LEU A 34 -1.771 4.564 4.567 1.00 0.33 H new ATOM 0 HA LEU A 34 -3.724 5.410 2.487 1.00 0.36 H new ATOM 0 HB2 LEU A 34 -4.154 3.368 4.665 1.00 0.45 H new ATOM 0 HB3 LEU A 34 -5.177 3.716 3.284 1.00 0.45 H new ATOM 0 HG LEU A 34 -2.405 2.820 2.665 1.00 0.64 H new ATOM 0 HD11 LEU A 34 -2.988 0.455 3.018 1.00 1.18 H new ATOM 0 HD12 LEU A 34 -2.973 1.363 4.548 1.00 1.18 H new ATOM 0 HD13 LEU A 34 -4.521 0.949 3.774 1.00 1.18 H new ATOM 0 HD21 LEU A 34 -3.601 1.576 0.911 1.00 1.06 H new ATOM 0 HD22 LEU A 34 -5.154 2.106 1.598 1.00 1.06 H new ATOM 0 HD23 LEU A 34 -4.034 3.302 0.904 1.00 1.06 H new ATOM 227 N VAL A 35 -4.732 6.991 4.115 1.00 0.31 N ATOM 228 CA VAL A 35 -5.161 8.041 5.025 1.00 0.34 C ATOM 229 C VAL A 35 -6.318 7.584 5.906 1.00 0.46 C ATOM 230 O VAL A 35 -7.450 7.430 5.448 1.00 0.72 O ATOM 231 CB VAL A 35 -5.571 9.303 4.254 1.00 0.42 C ATOM 232 CG1 VAL A 35 -5.818 10.461 5.207 1.00 0.90 C ATOM 233 CG2 VAL A 35 -4.509 9.665 3.226 1.00 1.39 C ATOM 0 H VAL A 35 -5.023 7.124 3.146 1.00 0.31 H new ATOM 0 HA VAL A 35 -4.310 8.273 5.665 1.00 0.34 H new ATOM 0 HB VAL A 35 -6.503 9.097 3.727 1.00 0.42 H new ATOM 0 HG11 VAL A 35 -6.107 11.345 4.638 1.00 0.90 H new ATOM 0 HG12 VAL A 35 -6.617 10.198 5.900 1.00 0.90 H new ATOM 0 HG13 VAL A 35 -4.907 10.672 5.767 1.00 0.90 H new ATOM 0 HG21 VAL A 35 -4.815 10.562 2.688 1.00 1.39 H new ATOM 0 HG22 VAL A 35 -3.561 9.850 3.732 1.00 1.39 H new ATOM 0 HG23 VAL A 35 -4.389 8.842 2.521 1.00 1.39 H new ATOM 243 N GLU A 36 -6.008 7.387 7.179 1.00 0.59 N ATOM 244 CA GLU A 36 -6.973 6.909 8.162 1.00 0.77 C ATOM 245 C GLU A 36 -8.152 7.869 8.347 1.00 0.71 C ATOM 246 O GLU A 36 -9.300 7.432 8.275 1.00 0.79 O ATOM 247 CB GLU A 36 -6.283 6.645 9.502 1.00 1.03 C ATOM 248 CG GLU A 36 -5.445 5.379 9.507 1.00 1.76 C ATOM 249 CD GLU A 36 -6.292 4.123 9.515 1.00 1.96 C ATOM 250 OE1 GLU A 36 -7.280 4.057 8.754 1.00 2.24 O ATOM 251 OE2 GLU A 36 -5.985 3.204 10.299 1.00 2.34 O ATOM 0 H GLU A 36 -5.078 7.554 7.562 1.00 0.59 H new ATOM 0 HA GLU A 36 -7.383 5.975 7.777 1.00 0.77 H new ATOM 0 HB2 GLU A 36 -5.646 7.495 9.749 1.00 1.03 H new ATOM 0 HB3 GLU A 36 -7.039 6.575 10.284 1.00 1.03 H new ATOM 0 HG2 GLU A 36 -4.798 5.372 8.630 1.00 1.76 H new ATOM 0 HG3 GLU A 36 -4.795 5.381 10.382 1.00 1.76 H new ATOM 258 N PRO A 37 -7.913 9.180 8.593 1.00 0.70 N ATOM 259 CA PRO A 37 -9.003 10.156 8.762 1.00 0.83 C ATOM 260 C PRO A 37 -9.732 10.474 7.452 1.00 0.90 C ATOM 261 O PRO A 37 -9.979 11.640 7.133 1.00 1.46 O ATOM 262 CB PRO A 37 -8.283 11.402 9.284 1.00 0.91 C ATOM 263 CG PRO A 37 -6.898 11.284 8.757 1.00 0.91 C ATOM 264 CD PRO A 37 -6.585 9.815 8.755 1.00 0.73 C ATOM 0 HA PRO A 37 -9.780 9.777 9.426 1.00 0.83 H new ATOM 0 HB2 PRO A 37 -8.764 12.314 8.932 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -8.291 11.437 10.373 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -6.825 11.701 7.752 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -6.194 11.833 9.382 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -5.911 9.549 7.941 1.00 0.73 H new ATOM 0 HD3 PRO A 37 -6.102 9.506 9.682 1.00 0.73 H new ATOM 272 N ARG A 38 -10.074 9.428 6.705 1.00 0.89 N ATOM 273 CA ARG A 38 -10.799 9.567 5.452 1.00 0.93 C ATOM 274 C ARG A 38 -11.175 8.196 4.898 1.00 0.92 C ATOM 275 O ARG A 38 -12.309 7.979 4.474 1.00 1.42 O ATOM 276 CB ARG A 38 -9.969 10.332 4.415 1.00 0.99 C ATOM 277 CG ARG A 38 -10.698 10.583 3.098 1.00 1.31 C ATOM 278 CD ARG A 38 -11.822 11.601 3.244 1.00 1.06 C ATOM 279 NE ARG A 38 -12.887 11.138 4.133 1.00 1.41 N ATOM 280 CZ ARG A 38 -13.721 11.948 4.780 1.00 1.91 C ATOM 281 NH1 ARG A 38 -13.668 13.260 4.588 1.00 2.37 N ATOM 282 NH2 ARG A 38 -14.622 11.442 5.612 1.00 2.60 N ATOM 0 H ARG A 38 -9.855 8.463 6.953 1.00 0.89 H new ATOM 0 HA ARG A 38 -11.707 10.134 5.656 1.00 0.93 H new ATOM 0 HB2 ARG A 38 -9.669 11.290 4.840 1.00 0.99 H new ATOM 0 HB3 ARG A 38 -9.056 9.773 4.212 1.00 0.99 H new ATOM 0 HG2 ARG A 38 -9.986 10.936 2.353 1.00 1.31 H new ATOM 0 HG3 ARG A 38 -11.108 9.643 2.727 1.00 1.31 H new ATOM 0 HD2 ARG A 38 -11.413 12.536 3.628 1.00 1.06 H new ATOM 0 HD3 ARG A 38 -12.242 11.817 2.262 1.00 1.06 H new ATOM 0 HE ARG A 38 -12.997 10.133 4.265 1.00 1.41 H new ATOM 0 HH11 ARG A 38 -12.985 13.654 3.941 1.00 2.37 H new ATOM 0 HH12 ARG A 38 -14.311 13.875 5.087 1.00 2.37 H new ATOM 0 HH21 ARG A 38 -14.675 10.433 5.755 1.00 2.60 H new ATOM 0 HH22 ARG A 38 -15.262 12.062 6.109 1.00 2.60 H new ATOM 296 N MET A 39 -10.215 7.274 4.904 1.00 0.73 N ATOM 297 CA MET A 39 -10.429 5.943 4.346 1.00 0.74 C ATOM 298 C MET A 39 -11.116 5.022 5.353 1.00 0.74 C ATOM 299 O MET A 39 -12.290 4.684 5.196 1.00 1.05 O ATOM 300 CB MET A 39 -9.095 5.339 3.892 1.00 0.80 C ATOM 301 CG MET A 39 -9.231 3.991 3.211 1.00 1.19 C ATOM 302 SD MET A 39 -7.665 3.387 2.548 1.00 1.27 S ATOM 303 CE MET A 39 -7.269 4.687 1.378 1.00 0.61 C ATOM 0 H MET A 39 -9.283 7.425 5.289 1.00 0.73 H new ATOM 0 HA MET A 39 -11.086 6.041 3.482 1.00 0.74 H new ATOM 0 HB2 MET A 39 -8.607 6.033 3.208 1.00 0.80 H new ATOM 0 HB3 MET A 39 -8.442 5.233 4.758 1.00 0.80 H new ATOM 0 HG2 MET A 39 -9.623 3.266 3.924 1.00 1.19 H new ATOM 0 HG3 MET A 39 -9.958 4.068 2.402 1.00 1.19 H new ATOM 0 HE1 MET A 39 -6.740 4.261 0.526 1.00 0.61 H new ATOM 0 HE2 MET A 39 -8.189 5.160 1.035 1.00 0.61 H new ATOM 0 HE3 MET A 39 -6.637 5.432 1.862 1.00 0.61 H new ATOM 313 N GLY A 40 -10.382 4.621 6.385 1.00 1.32 N ATOM 314 CA GLY A 40 -10.942 3.739 7.392 1.00 1.52 C ATOM 315 C GLY A 40 -10.210 2.414 7.480 1.00 1.39 C ATOM 316 O GLY A 40 -9.484 2.031 6.557 1.00 1.36 O ATOM 0 H GLY A 40 -9.411 4.890 6.542 1.00 1.32 H new ATOM 0 HA2 GLY A 40 -10.908 4.234 8.363 1.00 1.52 H new ATOM 0 HA3 GLY A 40 -11.992 3.555 7.165 1.00 1.52 H new ATOM 320 N ARG A 41 -10.429 1.702 8.577 1.00 1.34 N ATOM 321 CA ARG A 41 -9.746 0.440 8.835 1.00 1.26 C ATOM 322 C ARG A 41 -10.313 -0.663 7.955 1.00 1.15 C ATOM 323 O ARG A 41 -9.578 -1.527 7.486 1.00 1.03 O ATOM 324 CB ARG A 41 -9.888 0.048 10.306 1.00 1.42 C ATOM 325 CG ARG A 41 -9.109 -1.204 10.674 1.00 1.79 C ATOM 326 CD ARG A 41 -9.412 -1.663 12.093 1.00 1.72 C ATOM 327 NE ARG A 41 -9.197 -0.604 13.077 1.00 2.20 N ATOM 328 CZ ARG A 41 -9.102 -0.809 14.388 1.00 2.49 C ATOM 329 NH1 ARG A 41 -9.163 -2.042 14.884 1.00 2.51 N ATOM 330 NH2 ARG A 41 -8.939 0.224 15.205 1.00 3.20 N ATOM 0 H ARG A 41 -11.081 1.980 9.310 1.00 1.34 H new ATOM 0 HA ARG A 41 -8.689 0.571 8.601 1.00 1.26 H new ATOM 0 HB2 ARG A 41 -9.548 0.875 10.929 1.00 1.42 H new ATOM 0 HB3 ARG A 41 -10.943 -0.109 10.532 1.00 1.42 H new ATOM 0 HG2 ARG A 41 -9.353 -2.003 9.974 1.00 1.79 H new ATOM 0 HG3 ARG A 41 -8.041 -1.009 10.575 1.00 1.79 H new ATOM 0 HD2 ARG A 41 -10.446 -2.004 12.149 1.00 1.72 H new ATOM 0 HD3 ARG A 41 -8.781 -2.517 12.338 1.00 1.72 H new ATOM 0 HE ARG A 41 -9.114 0.354 12.737 1.00 2.20 H new ATOM 0 HH11 ARG A 41 -9.283 -2.838 14.258 1.00 2.51 H new ATOM 0 HH12 ARG A 41 -9.089 -2.191 15.890 1.00 2.51 H new ATOM 0 HH21 ARG A 41 -8.887 1.170 14.827 1.00 3.20 H new ATOM 0 HH22 ARG A 41 -8.866 0.072 16.211 1.00 3.20 H new ATOM 344 N SER A 42 -11.619 -0.618 7.731 1.00 1.23 N ATOM 345 CA SER A 42 -12.298 -1.620 6.919 1.00 1.19 C ATOM 346 C SER A 42 -11.669 -1.706 5.529 1.00 1.02 C ATOM 347 O SER A 42 -11.377 -2.793 5.025 1.00 0.94 O ATOM 348 CB SER A 42 -13.782 -1.272 6.810 1.00 1.38 C ATOM 349 OG SER A 42 -13.955 0.100 6.484 1.00 2.00 O ATOM 0 H SER A 42 -12.233 0.106 8.103 1.00 1.23 H new ATOM 0 HA SER A 42 -12.192 -2.593 7.399 1.00 1.19 H new ATOM 0 HB2 SER A 42 -14.251 -1.894 6.047 1.00 1.38 H new ATOM 0 HB3 SER A 42 -14.282 -1.492 7.753 1.00 1.38 H new ATOM 0 HG SER A 42 -14.912 0.302 6.417 1.00 2.00 H new ATOM 355 N ARG A 43 -11.432 -0.545 4.938 1.00 1.01 N ATOM 356 CA ARG A 43 -10.840 -0.467 3.614 1.00 0.91 C ATOM 357 C ARG A 43 -9.383 -0.905 3.671 1.00 0.74 C ATOM 358 O ARG A 43 -8.952 -1.746 2.882 1.00 0.60 O ATOM 359 CB ARG A 43 -10.949 0.961 3.073 1.00 1.08 C ATOM 360 CG ARG A 43 -10.499 1.127 1.624 1.00 1.13 C ATOM 361 CD ARG A 43 -11.354 0.310 0.672 1.00 1.08 C ATOM 362 NE ARG A 43 -11.155 0.698 -0.726 1.00 0.95 N ATOM 363 CZ ARG A 43 -11.883 0.220 -1.735 1.00 1.74 C ATOM 364 NH1 ARG A 43 -12.838 -0.673 -1.503 1.00 2.48 N ATOM 365 NH2 ARG A 43 -11.676 0.638 -2.976 1.00 2.23 N ATOM 0 H ARG A 43 -11.642 0.360 5.358 1.00 1.01 H new ATOM 0 HA ARG A 43 -11.380 -1.134 2.942 1.00 0.91 H new ATOM 0 HB2 ARG A 43 -11.985 1.290 3.158 1.00 1.08 H new ATOM 0 HB3 ARG A 43 -10.352 1.621 3.703 1.00 1.08 H new ATOM 0 HG2 ARG A 43 -10.550 2.180 1.346 1.00 1.13 H new ATOM 0 HG3 ARG A 43 -9.457 0.822 1.530 1.00 1.13 H new ATOM 0 HD2 ARG A 43 -11.117 -0.747 0.791 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -12.405 0.432 0.935 1.00 1.08 H new ATOM 0 HE ARG A 43 -10.419 1.371 -0.939 1.00 0.95 H new ATOM 0 HH11 ARG A 43 -13.016 -0.994 -0.551 1.00 2.48 H new ATOM 0 HH12 ARG A 43 -13.394 -1.038 -2.276 1.00 2.48 H new ATOM 0 HH21 ARG A 43 -10.954 1.332 -3.166 1.00 2.23 H new ATOM 0 HH22 ARG A 43 -12.239 0.265 -3.740 1.00 2.23 H new ATOM 379 N ARG A 44 -8.640 -0.347 4.628 1.00 0.81 N ATOM 380 CA ARG A 44 -7.225 -0.661 4.781 1.00 0.77 C ATOM 381 C ARG A 44 -7.003 -2.150 4.987 1.00 0.68 C ATOM 382 O ARG A 44 -6.209 -2.760 4.284 1.00 0.62 O ATOM 383 CB ARG A 44 -6.608 0.096 5.958 1.00 0.95 C ATOM 384 CG ARG A 44 -6.472 1.589 5.734 1.00 0.98 C ATOM 385 CD ARG A 44 -5.624 2.229 6.825 1.00 1.46 C ATOM 386 NE ARG A 44 -4.227 1.781 6.770 1.00 1.62 N ATOM 387 CZ ARG A 44 -3.392 1.765 7.816 1.00 2.09 C ATOM 388 NH1 ARG A 44 -3.803 2.133 9.022 1.00 2.72 N ATOM 389 NH2 ARG A 44 -2.134 1.372 7.660 1.00 2.57 N ATOM 0 H ARG A 44 -8.998 0.324 5.307 1.00 0.81 H new ATOM 0 HA ARG A 44 -6.738 -0.350 3.857 1.00 0.77 H new ATOM 0 HB2 ARG A 44 -7.219 -0.073 6.845 1.00 0.95 H new ATOM 0 HB3 ARG A 44 -5.622 -0.320 6.166 1.00 0.95 H new ATOM 0 HG2 ARG A 44 -6.019 1.775 4.760 1.00 0.98 H new ATOM 0 HG3 ARG A 44 -7.460 2.050 5.719 1.00 0.98 H new ATOM 0 HD2 ARG A 44 -5.661 3.314 6.723 1.00 1.46 H new ATOM 0 HD3 ARG A 44 -6.045 1.986 7.801 1.00 1.46 H new ATOM 0 HE ARG A 44 -3.867 1.459 5.871 1.00 1.62 H new ATOM 0 HH11 ARG A 44 -4.768 2.434 9.162 1.00 2.72 H new ATOM 0 HH12 ARG A 44 -3.155 2.115 9.809 1.00 2.72 H new ATOM 0 HH21 ARG A 44 -1.801 1.081 6.741 1.00 2.57 H new ATOM 0 HH22 ARG A 44 -1.500 1.361 8.459 1.00 2.57 H new ATOM 403 N ALA A 45 -7.700 -2.728 5.956 1.00 0.82 N ATOM 404 CA ALA A 45 -7.523 -4.135 6.305 1.00 0.77 C ATOM 405 C ALA A 45 -7.666 -5.049 5.093 1.00 0.61 C ATOM 406 O ALA A 45 -6.859 -5.959 4.892 1.00 0.58 O ATOM 407 CB ALA A 45 -8.517 -4.540 7.376 1.00 0.91 C ATOM 0 H ALA A 45 -8.398 -2.242 6.519 1.00 0.82 H new ATOM 0 HA ALA A 45 -6.508 -4.248 6.687 1.00 0.77 H new ATOM 0 HB1 ALA A 45 -8.374 -5.591 7.627 1.00 0.91 H new ATOM 0 HB2 ALA A 45 -8.361 -3.930 8.266 1.00 0.91 H new ATOM 0 HB3 ALA A 45 -9.531 -4.390 7.006 1.00 0.91 H new ATOM 413 N PHE A 46 -8.683 -4.789 4.280 1.00 0.63 N ATOM 414 CA PHE A 46 -8.976 -5.621 3.131 1.00 0.57 C ATOM 415 C PHE A 46 -7.824 -5.569 2.120 1.00 0.44 C ATOM 416 O PHE A 46 -7.310 -6.609 1.700 1.00 0.44 O ATOM 417 CB PHE A 46 -10.328 -5.183 2.539 1.00 0.69 C ATOM 418 CG PHE A 46 -10.380 -5.075 1.044 1.00 0.64 C ATOM 419 CD1 PHE A 46 -10.638 -6.183 0.256 1.00 0.74 C ATOM 420 CD2 PHE A 46 -10.184 -3.851 0.433 1.00 0.57 C ATOM 421 CE1 PHE A 46 -10.693 -6.067 -1.119 1.00 0.78 C ATOM 422 CE2 PHE A 46 -10.236 -3.728 -0.935 1.00 0.61 C ATOM 423 CZ PHE A 46 -10.490 -4.838 -1.718 1.00 0.71 C ATOM 0 H PHE A 46 -9.320 -4.001 4.401 1.00 0.63 H new ATOM 0 HA PHE A 46 -9.064 -6.667 3.425 1.00 0.57 H new ATOM 0 HB2 PHE A 46 -11.091 -5.892 2.860 1.00 0.69 H new ATOM 0 HB3 PHE A 46 -10.593 -4.215 2.964 1.00 0.69 H new ATOM 0 HD1 PHE A 46 -10.797 -7.145 0.720 1.00 0.74 H new ATOM 0 HD2 PHE A 46 -9.987 -2.979 1.039 1.00 0.57 H new ATOM 0 HE1 PHE A 46 -10.895 -6.937 -1.726 1.00 0.78 H new ATOM 0 HE2 PHE A 46 -10.079 -2.765 -1.397 1.00 0.61 H new ATOM 0 HZ PHE A 46 -10.530 -4.746 -2.793 1.00 0.71 H new ATOM 433 N LEU A 47 -7.416 -4.362 1.741 1.00 0.39 N ATOM 434 CA LEU A 47 -6.284 -4.184 0.845 1.00 0.35 C ATOM 435 C LEU A 47 -4.984 -4.648 1.478 1.00 0.38 C ATOM 436 O LEU A 47 -4.163 -5.210 0.783 1.00 0.47 O ATOM 437 CB LEU A 47 -6.187 -2.726 0.387 1.00 0.36 C ATOM 438 CG LEU A 47 -6.000 -1.706 1.498 1.00 0.38 C ATOM 439 CD1 LEU A 47 -4.523 -1.448 1.757 1.00 0.44 C ATOM 440 CD2 LEU A 47 -6.736 -0.419 1.165 1.00 0.42 C ATOM 0 H LEU A 47 -7.855 -3.492 2.043 1.00 0.39 H new ATOM 0 HA LEU A 47 -6.453 -4.810 -0.031 1.00 0.35 H new ATOM 0 HB2 LEU A 47 -5.354 -2.636 -0.310 1.00 0.36 H new ATOM 0 HB3 LEU A 47 -7.093 -2.475 -0.165 1.00 0.36 H new ATOM 0 HG LEU A 47 -6.427 -2.112 2.415 1.00 0.38 H new ATOM 0 HD11 LEU A 47 -4.416 -0.715 2.556 1.00 0.44 H new ATOM 0 HD12 LEU A 47 -4.037 -2.378 2.051 1.00 0.44 H new ATOM 0 HD13 LEU A 47 -4.056 -1.066 0.849 1.00 0.44 H new ATOM 0 HD21 LEU A 47 -6.592 0.301 1.970 1.00 0.42 H new ATOM 0 HD22 LEU A 47 -6.345 -0.006 0.235 1.00 0.42 H new ATOM 0 HD23 LEU A 47 -7.800 -0.627 1.050 1.00 0.42 H new ATOM 452 N THR A 48 -4.777 -4.424 2.778 1.00 0.40 N ATOM 453 CA THR A 48 -3.559 -4.875 3.447 1.00 0.48 C ATOM 454 C THR A 48 -3.306 -6.360 3.205 1.00 0.48 C ATOM 455 O THR A 48 -2.260 -6.735 2.672 1.00 0.57 O ATOM 456 CB THR A 48 -3.644 -4.597 4.967 1.00 0.59 C ATOM 457 OG1 THR A 48 -3.808 -3.192 5.192 1.00 0.64 O ATOM 458 CG2 THR A 48 -2.400 -5.083 5.696 1.00 0.69 C ATOM 0 H THR A 48 -5.435 -3.935 3.384 1.00 0.40 H new ATOM 0 HA THR A 48 -2.725 -4.315 3.025 1.00 0.48 H new ATOM 0 HB THR A 48 -4.502 -5.143 5.359 1.00 0.59 H new ATOM 0 HG1 THR A 48 -4.660 -2.897 4.809 1.00 0.64 H new ATOM 0 HG21 THR A 48 -2.496 -4.871 6.761 1.00 0.69 H new ATOM 0 HG22 THR A 48 -2.288 -6.157 5.549 1.00 0.69 H new ATOM 0 HG23 THR A 48 -1.523 -4.570 5.301 1.00 0.69 H new ATOM 466 N GLY A 49 -4.266 -7.193 3.601 1.00 0.45 N ATOM 467 CA GLY A 49 -4.167 -8.621 3.354 1.00 0.50 C ATOM 468 C GLY A 49 -3.835 -8.949 1.909 1.00 0.42 C ATOM 469 O GLY A 49 -3.001 -9.821 1.636 1.00 0.42 O ATOM 0 H GLY A 49 -5.113 -6.903 4.090 1.00 0.45 H new ATOM 0 HA2 GLY A 49 -3.400 -9.045 4.003 1.00 0.50 H new ATOM 0 HA3 GLY A 49 -5.110 -9.097 3.622 1.00 0.50 H new ATOM 473 N LEU A 50 -4.454 -8.231 0.981 1.00 0.43 N ATOM 474 CA LEU A 50 -4.238 -8.489 -0.437 1.00 0.42 C ATOM 475 C LEU A 50 -2.881 -7.961 -0.878 1.00 0.41 C ATOM 476 O LEU A 50 -2.064 -8.701 -1.416 1.00 0.46 O ATOM 477 CB LEU A 50 -5.337 -7.842 -1.281 1.00 0.44 C ATOM 478 CG LEU A 50 -6.741 -8.408 -1.077 1.00 0.46 C ATOM 479 CD1 LEU A 50 -7.734 -7.669 -1.955 1.00 0.58 C ATOM 480 CD2 LEU A 50 -6.768 -9.898 -1.382 1.00 0.48 C ATOM 0 H LEU A 50 -5.105 -7.471 1.182 1.00 0.43 H new ATOM 0 HA LEU A 50 -4.267 -9.568 -0.587 1.00 0.42 H new ATOM 0 HB2 LEU A 50 -5.359 -6.775 -1.061 1.00 0.44 H new ATOM 0 HB3 LEU A 50 -5.072 -7.946 -2.333 1.00 0.44 H new ATOM 0 HG LEU A 50 -7.024 -8.268 -0.034 1.00 0.46 H new ATOM 0 HD11 LEU A 50 -8.732 -8.080 -1.802 1.00 0.58 H new ATOM 0 HD12 LEU A 50 -7.734 -6.611 -1.694 1.00 0.58 H new ATOM 0 HD13 LEU A 50 -7.451 -7.784 -3.001 1.00 0.58 H new ATOM 0 HD21 LEU A 50 -7.777 -10.282 -1.231 1.00 0.48 H new ATOM 0 HD22 LEU A 50 -6.468 -10.063 -2.417 1.00 0.48 H new ATOM 0 HD23 LEU A 50 -6.078 -10.418 -0.717 1.00 0.48 H new ATOM 492 N ALA A 51 -2.657 -6.682 -0.619 1.00 0.38 N ATOM 493 CA ALA A 51 -1.450 -5.980 -1.041 1.00 0.39 C ATOM 494 C ALA A 51 -0.178 -6.662 -0.541 1.00 0.43 C ATOM 495 O ALA A 51 0.819 -6.746 -1.266 1.00 0.47 O ATOM 496 CB ALA A 51 -1.514 -4.535 -0.573 1.00 0.38 C ATOM 0 H ALA A 51 -3.313 -6.094 -0.105 1.00 0.38 H new ATOM 0 HA ALA A 51 -1.407 -6.007 -2.130 1.00 0.39 H new ATOM 0 HB1 ALA A 51 -0.612 -4.010 -0.888 1.00 0.38 H new ATOM 0 HB2 ALA A 51 -2.387 -4.050 -1.009 1.00 0.38 H new ATOM 0 HB3 ALA A 51 -1.588 -4.508 0.514 1.00 0.38 H new ATOM 502 N ARG A 52 -0.218 -7.156 0.694 1.00 0.45 N ATOM 503 CA ARG A 52 0.902 -7.907 1.254 1.00 0.51 C ATOM 504 C ARG A 52 1.187 -9.144 0.415 1.00 0.60 C ATOM 505 O ARG A 52 2.335 -9.444 0.097 1.00 0.75 O ATOM 506 CB ARG A 52 0.607 -8.316 2.699 1.00 0.54 C ATOM 507 CG ARG A 52 0.695 -7.168 3.686 1.00 1.12 C ATOM 508 CD ARG A 52 -0.054 -7.467 4.975 1.00 1.04 C ATOM 509 NE ARG A 52 0.485 -8.611 5.709 1.00 1.51 N ATOM 510 CZ ARG A 52 -0.074 -9.103 6.823 1.00 1.87 C ATOM 511 NH1 ARG A 52 -1.191 -8.563 7.296 1.00 1.75 N ATOM 512 NH2 ARG A 52 0.472 -10.132 7.457 1.00 2.79 N ATOM 0 H ARG A 52 -1.012 -7.050 1.325 1.00 0.45 H new ATOM 0 HA ARG A 52 1.781 -7.263 1.243 1.00 0.51 H new ATOM 0 HB2 ARG A 52 -0.392 -8.750 2.748 1.00 0.54 H new ATOM 0 HB3 ARG A 52 1.308 -9.095 2.997 1.00 0.54 H new ATOM 0 HG2 ARG A 52 1.741 -6.965 3.913 1.00 1.12 H new ATOM 0 HG3 ARG A 52 0.287 -6.266 3.230 1.00 1.12 H new ATOM 0 HD2 ARG A 52 -0.024 -6.586 5.617 1.00 1.04 H new ATOM 0 HD3 ARG A 52 -1.102 -7.656 4.742 1.00 1.04 H new ATOM 0 HE ARG A 52 1.331 -9.058 5.355 1.00 1.51 H new ATOM 0 HH11 ARG A 52 -1.622 -7.775 6.812 1.00 1.75 H new ATOM 0 HH12 ARG A 52 -1.618 -8.936 8.144 1.00 1.75 H new ATOM 0 HH21 ARG A 52 1.326 -10.557 7.097 1.00 2.79 H new ATOM 0 HH22 ARG A 52 0.037 -10.498 8.304 1.00 2.79 H new ATOM 526 N SER A 53 0.133 -9.855 0.054 1.00 0.54 N ATOM 527 CA SER A 53 0.261 -11.058 -0.751 1.00 0.61 C ATOM 528 C SER A 53 0.593 -10.729 -2.214 1.00 0.61 C ATOM 529 O SER A 53 0.961 -11.615 -2.988 1.00 0.69 O ATOM 530 CB SER A 53 -1.038 -11.867 -0.667 1.00 0.63 C ATOM 531 OG SER A 53 -0.856 -13.190 -1.140 1.00 1.36 O ATOM 0 H SER A 53 -0.826 -9.618 0.307 1.00 0.54 H new ATOM 0 HA SER A 53 1.088 -11.649 -0.356 1.00 0.61 H new ATOM 0 HB2 SER A 53 -1.386 -11.893 0.366 1.00 0.63 H new ATOM 0 HB3 SER A 53 -1.814 -11.374 -1.252 1.00 0.63 H new ATOM 0 HG SER A 53 -0.250 -13.182 -1.910 1.00 1.36 H new ATOM 537 N LYS A 54 0.486 -9.456 -2.590 1.00 0.57 N ATOM 538 CA LYS A 54 0.707 -9.062 -3.978 1.00 0.60 C ATOM 539 C LYS A 54 2.172 -8.734 -4.257 1.00 0.63 C ATOM 540 O LYS A 54 2.782 -9.342 -5.136 1.00 0.76 O ATOM 541 CB LYS A 54 -0.191 -7.888 -4.371 1.00 0.56 C ATOM 542 CG LYS A 54 -1.669 -8.239 -4.363 1.00 0.54 C ATOM 543 CD LYS A 54 -1.930 -9.518 -5.143 1.00 0.60 C ATOM 544 CE LYS A 54 -3.398 -9.913 -5.114 1.00 0.64 C ATOM 545 NZ LYS A 54 -3.656 -11.146 -5.908 1.00 0.83 N ATOM 0 H LYS A 54 0.250 -8.689 -1.961 1.00 0.57 H new ATOM 0 HA LYS A 54 0.441 -9.921 -4.594 1.00 0.60 H new ATOM 0 HB2 LYS A 54 -0.017 -7.059 -3.684 1.00 0.56 H new ATOM 0 HB3 LYS A 54 0.089 -7.542 -5.366 1.00 0.56 H new ATOM 0 HG2 LYS A 54 -2.012 -8.359 -3.335 1.00 0.54 H new ATOM 0 HG3 LYS A 54 -2.243 -7.421 -4.797 1.00 0.54 H new ATOM 0 HD2 LYS A 54 -1.611 -9.384 -6.177 1.00 0.60 H new ATOM 0 HD3 LYS A 54 -1.329 -10.326 -4.726 1.00 0.60 H new ATOM 0 HE2 LYS A 54 -3.711 -10.073 -4.082 1.00 0.64 H new ATOM 0 HE3 LYS A 54 -4.002 -9.095 -5.507 1.00 0.64 H new ATOM 0 HZ1 LYS A 54 -4.668 -11.382 -5.863 1.00 0.83 H new ATOM 0 HZ2 LYS A 54 -3.381 -10.985 -6.898 1.00 0.83 H new ATOM 0 HZ3 LYS A 54 -3.099 -11.933 -5.518 1.00 0.83 H new ATOM 559 N GLY A 55 2.748 -7.790 -3.516 1.00 0.56 N ATOM 560 CA GLY A 55 4.138 -7.430 -3.749 1.00 0.61 C ATOM 561 C GLY A 55 4.477 -6.040 -3.234 1.00 0.54 C ATOM 562 O GLY A 55 5.288 -5.330 -3.825 1.00 0.57 O ATOM 0 H GLY A 55 2.285 -7.274 -2.768 1.00 0.56 H new ATOM 0 HA2 GLY A 55 4.785 -8.161 -3.264 1.00 0.61 H new ATOM 0 HA3 GLY A 55 4.348 -7.479 -4.818 1.00 0.61 H new ATOM 566 N PHE A 56 3.860 -5.666 -2.120 1.00 0.50 N ATOM 567 CA PHE A 56 4.114 -4.378 -1.478 1.00 0.47 C ATOM 568 C PHE A 56 4.102 -4.571 0.023 1.00 0.42 C ATOM 569 O PHE A 56 3.642 -5.611 0.499 1.00 0.65 O ATOM 570 CB PHE A 56 3.019 -3.364 -1.842 1.00 0.66 C ATOM 571 CG PHE A 56 2.398 -3.571 -3.195 1.00 0.56 C ATOM 572 CD1 PHE A 56 3.046 -3.152 -4.343 1.00 0.61 C ATOM 573 CD2 PHE A 56 1.160 -4.181 -3.314 1.00 0.53 C ATOM 574 CE1 PHE A 56 2.474 -3.339 -5.582 1.00 0.58 C ATOM 575 CE2 PHE A 56 0.584 -4.371 -4.553 1.00 0.48 C ATOM 576 CZ PHE A 56 1.239 -3.946 -5.690 1.00 0.47 C ATOM 0 H PHE A 56 3.172 -6.243 -1.636 1.00 0.50 H new ATOM 0 HA PHE A 56 5.079 -4.002 -1.818 1.00 0.47 H new ATOM 0 HB2 PHE A 56 2.235 -3.409 -1.086 1.00 0.66 H new ATOM 0 HB3 PHE A 56 3.443 -2.361 -1.801 1.00 0.66 H new ATOM 0 HD1 PHE A 56 4.011 -2.673 -4.267 1.00 0.61 H new ATOM 0 HD2 PHE A 56 0.640 -4.511 -2.427 1.00 0.53 H new ATOM 0 HE1 PHE A 56 2.993 -3.010 -6.470 1.00 0.58 H new ATOM 0 HE2 PHE A 56 -0.379 -4.852 -4.633 1.00 0.48 H new ATOM 0 HZ PHE A 56 0.787 -4.088 -6.661 1.00 0.47 H new ATOM 586 N ARG A 57 4.624 -3.620 0.790 1.00 0.46 N ATOM 587 CA ARG A 57 4.372 -3.592 2.216 1.00 0.68 C ATOM 588 C ARG A 57 3.148 -2.732 2.505 1.00 0.79 C ATOM 589 O ARG A 57 2.428 -2.336 1.591 1.00 1.17 O ATOM 590 CB ARG A 57 5.591 -3.002 2.946 1.00 0.93 C ATOM 591 CG ARG A 57 5.952 -1.591 2.521 1.00 0.72 C ATOM 592 CD ARG A 57 6.335 -0.721 3.711 1.00 1.01 C ATOM 593 NE ARG A 57 7.475 -1.248 4.462 1.00 1.72 N ATOM 594 CZ ARG A 57 8.528 -0.513 4.830 1.00 2.00 C ATOM 595 NH1 ARG A 57 8.619 0.759 4.461 1.00 1.80 N ATOM 596 NH2 ARG A 57 9.486 -1.050 5.573 1.00 3.00 N ATOM 0 H ARG A 57 5.219 -2.866 0.447 1.00 0.46 H new ATOM 0 HA ARG A 57 4.194 -4.609 2.567 1.00 0.68 H new ATOM 0 HB2 ARG A 57 5.395 -3.007 4.018 1.00 0.93 H new ATOM 0 HB3 ARG A 57 6.450 -3.651 2.776 1.00 0.93 H new ATOM 0 HG2 ARG A 57 6.781 -1.625 1.814 1.00 0.72 H new ATOM 0 HG3 ARG A 57 5.107 -1.141 1.999 1.00 0.72 H new ATOM 0 HD2 ARG A 57 6.572 0.283 3.359 1.00 1.01 H new ATOM 0 HD3 ARG A 57 5.478 -0.630 4.378 1.00 1.01 H new ATOM 0 HE ARG A 57 7.465 -2.235 4.720 1.00 1.72 H new ATOM 0 HH11 ARG A 57 7.883 1.179 3.894 1.00 1.80 H new ATOM 0 HH12 ARG A 57 9.425 1.316 4.745 1.00 1.80 H new ATOM 0 HH21 ARG A 57 9.419 -2.025 5.864 1.00 3.00 H new ATOM 0 HH22 ARG A 57 10.290 -0.488 5.853 1.00 3.00 H new ATOM 610 N VAL A 58 2.947 -2.410 3.773 1.00 0.67 N ATOM 611 CA VAL A 58 1.827 -1.594 4.187 1.00 0.69 C ATOM 612 C VAL A 58 2.316 -0.555 5.187 1.00 0.68 C ATOM 613 O VAL A 58 2.755 -0.896 6.287 1.00 0.73 O ATOM 614 CB VAL A 58 0.688 -2.428 4.820 1.00 0.76 C ATOM 615 CG1 VAL A 58 -0.463 -1.528 5.255 1.00 0.81 C ATOM 616 CG2 VAL A 58 0.189 -3.488 3.849 1.00 0.88 C ATOM 0 H VAL A 58 3.554 -2.707 4.537 1.00 0.67 H new ATOM 0 HA VAL A 58 1.417 -1.114 3.298 1.00 0.69 H new ATOM 0 HB VAL A 58 1.089 -2.929 5.701 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -1.253 -2.135 5.697 1.00 0.81 H new ATOM 0 HG12 VAL A 58 -0.104 -0.808 5.990 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.856 -0.996 4.389 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -0.611 -4.062 4.316 1.00 0.88 H new ATOM 0 HG22 VAL A 58 -0.189 -3.006 2.947 1.00 0.88 H new ATOM 0 HG23 VAL A 58 1.009 -4.156 3.587 1.00 0.88 H new ATOM 626 N LEU A 59 2.269 0.703 4.791 1.00 0.70 N ATOM 627 CA LEU A 59 2.780 1.779 5.619 1.00 0.77 C ATOM 628 C LEU A 59 1.656 2.325 6.497 1.00 0.91 C ATOM 629 O LEU A 59 0.527 2.513 6.037 1.00 1.02 O ATOM 630 CB LEU A 59 3.375 2.880 4.733 1.00 0.74 C ATOM 631 CG LEU A 59 4.648 3.553 5.263 1.00 0.87 C ATOM 632 CD1 LEU A 59 4.366 4.332 6.532 1.00 1.13 C ATOM 633 CD2 LEU A 59 5.741 2.522 5.496 1.00 0.99 C ATOM 0 H LEU A 59 1.881 1.006 3.898 1.00 0.70 H new ATOM 0 HA LEU A 59 3.571 1.402 6.267 1.00 0.77 H new ATOM 0 HB2 LEU A 59 3.594 2.453 3.754 1.00 0.74 H new ATOM 0 HB3 LEU A 59 2.617 3.648 4.583 1.00 0.74 H new ATOM 0 HG LEU A 59 4.995 4.258 4.508 1.00 0.87 H new ATOM 0 HD11 LEU A 59 5.286 4.798 6.885 1.00 1.13 H new ATOM 0 HD12 LEU A 59 3.623 5.103 6.328 1.00 1.13 H new ATOM 0 HD13 LEU A 59 3.985 3.655 7.297 1.00 1.13 H new ATOM 0 HD21 LEU A 59 6.636 3.019 5.872 1.00 0.99 H new ATOM 0 HD22 LEU A 59 5.399 1.788 6.226 1.00 0.99 H new ATOM 0 HD23 LEU A 59 5.973 2.019 4.557 1.00 0.99 H new ATOM 645 N ASP A 60 1.961 2.557 7.764 1.00 1.06 N ATOM 646 CA ASP A 60 0.967 3.052 8.705 1.00 1.31 C ATOM 647 C ASP A 60 1.285 4.502 9.079 1.00 1.32 C ATOM 648 O ASP A 60 2.058 5.160 8.389 1.00 2.09 O ATOM 649 CB ASP A 60 0.924 2.158 9.950 1.00 1.89 C ATOM 650 CG ASP A 60 -0.369 2.301 10.725 1.00 2.15 C ATOM 651 OD1 ASP A 60 -1.363 1.643 10.357 1.00 2.89 O ATOM 652 OD2 ASP A 60 -0.395 3.065 11.713 1.00 2.30 O ATOM 0 H ASP A 60 2.888 2.411 8.165 1.00 1.06 H new ATOM 0 HA ASP A 60 -0.017 3.025 8.237 1.00 1.31 H new ATOM 0 HB2 ASP A 60 1.051 1.118 9.650 1.00 1.89 H new ATOM 0 HB3 ASP A 60 1.763 2.407 10.600 1.00 1.89 H new ATOM 657 N ALA A 61 0.727 4.991 10.175 1.00 1.32 N ATOM 658 CA ALA A 61 0.868 6.396 10.531 1.00 1.55 C ATOM 659 C ALA A 61 2.242 6.687 11.129 1.00 1.25 C ATOM 660 O ALA A 61 3.005 5.768 11.439 1.00 1.76 O ATOM 661 CB ALA A 61 -0.227 6.801 11.506 1.00 2.66 C ATOM 0 H ALA A 61 0.174 4.440 10.832 1.00 1.32 H new ATOM 0 HA ALA A 61 0.771 6.984 9.618 1.00 1.55 H new ATOM 0 HB1 ALA A 61 -0.112 7.853 11.766 1.00 2.66 H new ATOM 0 HB2 ALA A 61 -1.202 6.646 11.043 1.00 2.66 H new ATOM 0 HB3 ALA A 61 -0.153 6.195 12.409 1.00 2.66 H new ATOM 667 N CYS A 62 2.547 7.979 11.264 1.00 1.19 N ATOM 668 CA CYS A 62 3.804 8.440 11.855 1.00 1.18 C ATOM 669 C CYS A 62 5.017 7.951 11.066 1.00 1.18 C ATOM 670 O CYS A 62 6.042 7.584 11.642 1.00 1.66 O ATOM 671 CB CYS A 62 3.898 7.999 13.319 1.00 1.44 C ATOM 672 SG CYS A 62 2.618 8.714 14.378 1.00 2.09 S ATOM 0 H CYS A 62 1.930 8.735 10.967 1.00 1.19 H new ATOM 0 HA CYS A 62 3.808 9.529 11.813 1.00 1.18 H new ATOM 0 HB2 CYS A 62 3.831 6.912 13.367 1.00 1.44 H new ATOM 0 HB3 CYS A 62 4.877 8.276 13.710 1.00 1.44 H new ATOM 0 HG CYS A 62 2.773 8.285 15.596 1.00 2.09 H new ATOM 678 N SER A 63 4.904 7.948 9.744 1.00 1.03 N ATOM 679 CA SER A 63 6.017 7.565 8.891 1.00 1.07 C ATOM 680 C SER A 63 5.857 8.152 7.493 1.00 1.01 C ATOM 681 O SER A 63 4.769 8.127 6.907 1.00 1.03 O ATOM 682 CB SER A 63 6.141 6.038 8.819 1.00 1.23 C ATOM 683 OG SER A 63 7.255 5.651 8.033 1.00 1.76 O ATOM 0 H SER A 63 4.054 8.206 9.242 1.00 1.03 H new ATOM 0 HA SER A 63 6.931 7.967 9.328 1.00 1.07 H new ATOM 0 HB2 SER A 63 6.243 5.631 9.825 1.00 1.23 H new ATOM 0 HB3 SER A 63 5.230 5.616 8.396 1.00 1.23 H new ATOM 0 HG SER A 63 7.312 4.673 8.005 1.00 1.76 H new ATOM 689 N SER A 64 6.938 8.714 6.978 1.00 1.04 N ATOM 690 CA SER A 64 6.958 9.267 5.636 1.00 1.05 C ATOM 691 C SER A 64 7.696 8.340 4.681 1.00 0.99 C ATOM 692 O SER A 64 7.937 8.685 3.525 1.00 1.01 O ATOM 693 CB SER A 64 7.592 10.654 5.650 1.00 1.23 C ATOM 694 OG SER A 64 6.827 11.552 6.444 1.00 1.95 O ATOM 0 H SER A 64 7.823 8.799 7.477 1.00 1.04 H new ATOM 0 HA SER A 64 5.931 9.360 5.282 1.00 1.05 H new ATOM 0 HB2 SER A 64 8.607 10.590 6.041 1.00 1.23 H new ATOM 0 HB3 SER A 64 7.666 11.035 4.631 1.00 1.23 H new ATOM 0 HG SER A 64 7.430 12.125 6.962 1.00 1.95 H new ATOM 700 N GLU A 65 8.051 7.157 5.175 1.00 0.97 N ATOM 701 CA GLU A 65 8.781 6.176 4.381 1.00 0.96 C ATOM 702 C GLU A 65 7.866 5.544 3.327 1.00 0.83 C ATOM 703 O GLU A 65 8.289 4.701 2.533 1.00 0.86 O ATOM 704 CB GLU A 65 9.367 5.107 5.301 1.00 1.04 C ATOM 705 CG GLU A 65 10.409 4.224 4.638 1.00 1.17 C ATOM 706 CD GLU A 65 11.019 3.246 5.609 1.00 1.41 C ATOM 707 OE1 GLU A 65 11.908 3.654 6.386 1.00 1.70 O ATOM 708 OE2 GLU A 65 10.608 2.064 5.613 1.00 1.51 O ATOM 0 H GLU A 65 7.843 6.854 6.127 1.00 0.97 H new ATOM 0 HA GLU A 65 9.595 6.677 3.858 1.00 0.96 H new ATOM 0 HB2 GLU A 65 9.816 5.594 6.167 1.00 1.04 H new ATOM 0 HB3 GLU A 65 8.557 4.479 5.673 1.00 1.04 H new ATOM 0 HG2 GLU A 65 9.950 3.678 3.813 1.00 1.17 H new ATOM 0 HG3 GLU A 65 11.194 4.848 4.210 1.00 1.17 H new ATOM 715 N ALA A 66 6.610 5.957 3.330 1.00 0.78 N ATOM 716 CA ALA A 66 5.655 5.510 2.334 1.00 0.71 C ATOM 717 C ALA A 66 5.851 6.290 1.046 1.00 0.66 C ATOM 718 O ALA A 66 5.904 7.516 1.073 1.00 0.90 O ATOM 719 CB ALA A 66 4.241 5.707 2.839 1.00 0.80 C ATOM 0 H ALA A 66 6.227 6.606 4.017 1.00 0.78 H new ATOM 0 HA ALA A 66 5.818 4.449 2.142 1.00 0.71 H new ATOM 0 HB1 ALA A 66 3.534 5.368 2.082 1.00 0.80 H new ATOM 0 HB2 ALA A 66 4.098 5.131 3.754 1.00 0.80 H new ATOM 0 HB3 ALA A 66 4.072 6.764 3.045 1.00 0.80 H new ATOM 725 N THR A 67 5.953 5.600 -0.081 1.00 0.57 N ATOM 726 CA THR A 67 6.116 6.293 -1.347 1.00 0.51 C ATOM 727 C THR A 67 4.785 6.325 -2.102 1.00 0.41 C ATOM 728 O THR A 67 4.741 6.415 -3.328 1.00 0.55 O ATOM 729 CB THR A 67 7.197 5.577 -2.201 1.00 0.62 C ATOM 730 OG1 THR A 67 7.448 6.286 -3.423 1.00 0.67 O ATOM 731 CG2 THR A 67 6.773 4.142 -2.516 1.00 0.70 C ATOM 0 H THR A 67 5.926 4.582 -0.144 1.00 0.57 H new ATOM 0 HA THR A 67 6.435 7.318 -1.155 1.00 0.51 H new ATOM 0 HB THR A 67 8.117 5.558 -1.616 1.00 0.62 H new ATOM 0 HG1 THR A 67 6.596 6.561 -3.822 1.00 0.67 H new ATOM 0 HG21 THR A 67 7.544 3.658 -3.115 1.00 0.70 H new ATOM 0 HG22 THR A 67 6.637 3.590 -1.586 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.835 4.153 -3.072 1.00 0.70 H new ATOM 739 N HIS A 68 3.695 6.304 -1.346 1.00 0.50 N ATOM 740 CA HIS A 68 2.367 6.522 -1.905 1.00 0.42 C ATOM 741 C HIS A 68 1.419 7.084 -0.874 1.00 0.44 C ATOM 742 O HIS A 68 1.448 6.703 0.294 1.00 0.61 O ATOM 743 CB HIS A 68 1.780 5.222 -2.472 1.00 0.51 C ATOM 744 CG HIS A 68 2.253 4.878 -3.857 1.00 0.50 C ATOM 745 ND1 HIS A 68 1.730 5.458 -4.994 1.00 1.34 N ATOM 746 CD2 HIS A 68 3.213 4.019 -4.286 1.00 1.05 C ATOM 747 CE1 HIS A 68 2.344 4.971 -6.059 1.00 1.10 C ATOM 748 NE2 HIS A 68 3.246 4.097 -5.656 1.00 0.72 N ATOM 0 H HIS A 68 3.705 6.137 -0.340 1.00 0.50 H new ATOM 0 HA HIS A 68 2.482 7.245 -2.713 1.00 0.42 H new ATOM 0 HB2 HIS A 68 2.032 4.401 -1.801 1.00 0.51 H new ATOM 0 HB3 HIS A 68 0.693 5.303 -2.482 1.00 0.51 H new ATOM 0 HD2 HIS A 68 3.835 3.391 -3.665 1.00 1.05 H new ATOM 0 HE1 HIS A 68 2.141 5.243 -7.084 1.00 1.10 H new ATOM 0 HE2 HIS A 68 3.868 3.565 -6.265 1.00 0.72 H new ATOM 757 N VAL A 69 0.577 7.980 -1.339 1.00 0.37 N ATOM 758 CA VAL A 69 -0.515 8.498 -0.554 1.00 0.36 C ATOM 759 C VAL A 69 -1.816 8.098 -1.211 1.00 0.34 C ATOM 760 O VAL A 69 -2.126 8.532 -2.311 1.00 0.43 O ATOM 761 CB VAL A 69 -0.463 10.028 -0.397 1.00 0.41 C ATOM 762 CG1 VAL A 69 -1.758 10.535 0.209 1.00 0.49 C ATOM 763 CG2 VAL A 69 0.723 10.437 0.465 1.00 0.43 C ATOM 0 H VAL A 69 0.634 8.371 -2.280 1.00 0.37 H new ATOM 0 HA VAL A 69 -0.436 8.075 0.448 1.00 0.36 H new ATOM 0 HB VAL A 69 -0.339 10.475 -1.383 1.00 0.41 H new ATOM 0 HG11 VAL A 69 -1.710 11.619 0.316 1.00 0.49 H new ATOM 0 HG12 VAL A 69 -2.592 10.271 -0.441 1.00 0.49 H new ATOM 0 HG13 VAL A 69 -1.904 10.080 1.189 1.00 0.49 H new ATOM 0 HG21 VAL A 69 0.743 11.522 0.565 1.00 0.43 H new ATOM 0 HG22 VAL A 69 0.629 9.984 1.452 1.00 0.43 H new ATOM 0 HG23 VAL A 69 1.647 10.098 -0.003 1.00 0.43 H new ATOM 773 N VAL A 70 -2.557 7.261 -0.529 1.00 0.35 N ATOM 774 CA VAL A 70 -3.775 6.682 -1.070 1.00 0.36 C ATOM 775 C VAL A 70 -4.978 7.203 -0.304 1.00 0.39 C ATOM 776 O VAL A 70 -5.032 7.131 0.927 1.00 0.65 O ATOM 777 CB VAL A 70 -3.727 5.145 -0.976 1.00 0.46 C ATOM 778 CG1 VAL A 70 -4.784 4.514 -1.842 1.00 0.90 C ATOM 779 CG2 VAL A 70 -2.351 4.623 -1.354 1.00 0.69 C ATOM 0 H VAL A 70 -2.338 6.957 0.420 1.00 0.35 H new ATOM 0 HA VAL A 70 -3.861 6.968 -2.118 1.00 0.36 H new ATOM 0 HB VAL A 70 -3.928 4.870 0.059 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -4.726 3.429 -1.755 1.00 0.90 H new ATOM 0 HG12 VAL A 70 -5.769 4.851 -1.518 1.00 0.90 H new ATOM 0 HG13 VAL A 70 -4.624 4.804 -2.881 1.00 0.90 H new ATOM 0 HG21 VAL A 70 -2.341 3.536 -1.280 1.00 0.69 H new ATOM 0 HG22 VAL A 70 -2.118 4.919 -2.377 1.00 0.69 H new ATOM 0 HG23 VAL A 70 -1.605 5.039 -0.677 1.00 0.69 H new ATOM 789 N MET A 71 -5.932 7.728 -1.044 1.00 0.35 N ATOM 790 CA MET A 71 -7.107 8.341 -0.464 1.00 0.34 C ATOM 791 C MET A 71 -8.362 7.649 -0.955 1.00 0.30 C ATOM 792 O MET A 71 -8.448 7.270 -2.114 1.00 0.37 O ATOM 793 CB MET A 71 -7.155 9.820 -0.830 1.00 0.45 C ATOM 794 CG MET A 71 -6.490 10.733 0.182 1.00 1.06 C ATOM 795 SD MET A 71 -7.426 10.846 1.716 1.00 1.38 S ATOM 796 CE MET A 71 -6.833 12.412 2.353 1.00 1.68 C ATOM 0 H MET A 71 -5.914 7.742 -2.064 1.00 0.35 H new ATOM 0 HA MET A 71 -7.053 8.240 0.620 1.00 0.34 H new ATOM 0 HB2 MET A 71 -6.675 9.959 -1.799 1.00 0.45 H new ATOM 0 HB3 MET A 71 -8.196 10.121 -0.945 1.00 0.45 H new ATOM 0 HG2 MET A 71 -5.487 10.365 0.397 1.00 1.06 H new ATOM 0 HG3 MET A 71 -6.379 11.729 -0.248 1.00 1.06 H new ATOM 0 HE1 MET A 71 -7.359 12.652 3.277 1.00 1.68 H new ATOM 0 HE2 MET A 71 -5.764 12.342 2.552 1.00 1.68 H new ATOM 0 HE3 MET A 71 -7.015 13.196 1.618 1.00 1.68 H new ATOM 806 N GLU A 72 -9.319 7.469 -0.066 1.00 0.33 N ATOM 807 CA GLU A 72 -10.592 6.858 -0.422 1.00 0.39 C ATOM 808 C GLU A 72 -11.666 7.926 -0.555 1.00 0.41 C ATOM 809 O GLU A 72 -11.854 8.740 0.353 1.00 0.49 O ATOM 810 CB GLU A 72 -10.977 5.818 0.639 1.00 0.56 C ATOM 811 CG GLU A 72 -12.420 5.335 0.577 1.00 1.10 C ATOM 812 CD GLU A 72 -12.755 4.587 -0.697 1.00 1.59 C ATOM 813 OE1 GLU A 72 -12.212 3.485 -0.899 1.00 1.94 O ATOM 814 OE2 GLU A 72 -13.600 5.082 -1.475 1.00 2.28 O ATOM 0 H GLU A 72 -9.242 7.738 0.915 1.00 0.33 H new ATOM 0 HA GLU A 72 -10.498 6.354 -1.384 1.00 0.39 H new ATOM 0 HB2 GLU A 72 -10.317 4.956 0.537 1.00 0.56 H new ATOM 0 HB3 GLU A 72 -10.795 6.244 1.626 1.00 0.56 H new ATOM 0 HG2 GLU A 72 -12.614 4.686 1.431 1.00 1.10 H new ATOM 0 HG3 GLU A 72 -13.086 6.193 0.671 1.00 1.10 H new ATOM 821 N GLU A 73 -12.352 7.919 -1.698 1.00 0.51 N ATOM 822 CA GLU A 73 -13.381 8.893 -2.007 1.00 0.68 C ATOM 823 C GLU A 73 -12.858 10.307 -1.781 1.00 0.66 C ATOM 824 O GLU A 73 -13.524 11.151 -1.178 1.00 0.81 O ATOM 825 CB GLU A 73 -14.623 8.629 -1.167 1.00 0.87 C ATOM 826 CG GLU A 73 -15.883 9.144 -1.816 1.00 1.08 C ATOM 827 CD GLU A 73 -17.117 8.865 -0.992 1.00 1.30 C ATOM 828 OE1 GLU A 73 -17.258 9.464 0.094 1.00 1.74 O ATOM 829 OE2 GLU A 73 -17.957 8.042 -1.424 1.00 1.54 O ATOM 0 H GLU A 73 -12.203 7.230 -2.435 1.00 0.51 H new ATOM 0 HA GLU A 73 -13.654 8.798 -3.058 1.00 0.68 H new ATOM 0 HB2 GLU A 73 -14.719 7.557 -0.995 1.00 0.87 H new ATOM 0 HB3 GLU A 73 -14.503 9.099 -0.191 1.00 0.87 H new ATOM 0 HG2 GLU A 73 -15.792 10.219 -1.975 1.00 1.08 H new ATOM 0 HG3 GLU A 73 -15.995 8.685 -2.798 1.00 1.08 H new ATOM 836 N THR A 74 -11.645 10.545 -2.249 1.00 0.57 N ATOM 837 CA THR A 74 -10.995 11.822 -2.060 1.00 0.56 C ATOM 838 C THR A 74 -10.532 12.394 -3.390 1.00 0.56 C ATOM 839 O THR A 74 -9.900 11.701 -4.189 1.00 0.75 O ATOM 840 CB THR A 74 -9.797 11.662 -1.114 1.00 0.77 C ATOM 841 OG1 THR A 74 -10.241 11.100 0.124 1.00 1.11 O ATOM 842 CG2 THR A 74 -9.106 12.986 -0.850 1.00 0.63 C ATOM 0 H THR A 74 -11.090 9.863 -2.766 1.00 0.57 H new ATOM 0 HA THR A 74 -11.713 12.513 -1.620 1.00 0.56 H new ATOM 0 HB THR A 74 -9.077 11.000 -1.594 1.00 0.77 H new ATOM 0 HG1 THR A 74 -10.695 10.249 -0.047 1.00 1.11 H new ATOM 0 HG21 THR A 74 -8.264 12.829 -0.176 1.00 0.63 H new ATOM 0 HG22 THR A 74 -8.745 13.402 -1.791 1.00 0.63 H new ATOM 0 HG23 THR A 74 -9.812 13.680 -0.393 1.00 0.63 H new ATOM 850 N SER A 75 -10.856 13.653 -3.624 1.00 0.55 N ATOM 851 CA SER A 75 -10.472 14.316 -4.852 1.00 0.63 C ATOM 852 C SER A 75 -9.110 14.996 -4.686 1.00 0.53 C ATOM 853 O SER A 75 -8.550 15.007 -3.586 1.00 0.52 O ATOM 854 CB SER A 75 -11.556 15.314 -5.253 1.00 0.76 C ATOM 855 OG SER A 75 -12.799 14.648 -5.414 1.00 1.31 O ATOM 0 H SER A 75 -11.386 14.236 -2.976 1.00 0.55 H new ATOM 0 HA SER A 75 -10.373 13.580 -5.650 1.00 0.63 H new ATOM 0 HB2 SER A 75 -11.646 16.089 -4.492 1.00 0.76 H new ATOM 0 HB3 SER A 75 -11.278 15.810 -6.183 1.00 0.76 H new ATOM 0 HG SER A 75 -13.487 15.297 -5.669 1.00 1.31 H new ATOM 861 N ALA A 76 -8.590 15.550 -5.779 1.00 0.52 N ATOM 862 CA ALA A 76 -7.239 16.107 -5.810 1.00 0.49 C ATOM 863 C ALA A 76 -6.984 17.097 -4.676 1.00 0.40 C ATOM 864 O ALA A 76 -6.127 16.860 -3.827 1.00 0.41 O ATOM 865 CB ALA A 76 -6.981 16.771 -7.151 1.00 0.57 C ATOM 0 H ALA A 76 -9.090 15.626 -6.665 1.00 0.52 H new ATOM 0 HA ALA A 76 -6.547 15.277 -5.670 1.00 0.49 H new ATOM 0 HB1 ALA A 76 -5.972 17.183 -7.165 1.00 0.57 H new ATOM 0 HB2 ALA A 76 -7.083 16.034 -7.948 1.00 0.57 H new ATOM 0 HB3 ALA A 76 -7.703 17.573 -7.305 1.00 0.57 H new ATOM 871 N GLU A 77 -7.746 18.185 -4.642 1.00 0.42 N ATOM 872 CA GLU A 77 -7.500 19.251 -3.667 1.00 0.44 C ATOM 873 C GLU A 77 -7.705 18.760 -2.232 1.00 0.38 C ATOM 874 O GLU A 77 -6.951 19.137 -1.335 1.00 0.39 O ATOM 875 CB GLU A 77 -8.345 20.506 -3.954 1.00 0.61 C ATOM 876 CG GLU A 77 -9.607 20.274 -4.778 1.00 1.06 C ATOM 877 CD GLU A 77 -10.678 19.499 -4.043 1.00 1.33 C ATOM 878 OE1 GLU A 77 -10.601 18.252 -4.014 1.00 1.80 O ATOM 879 OE2 GLU A 77 -11.591 20.132 -3.476 1.00 1.91 O ATOM 0 H GLU A 77 -8.532 18.355 -5.269 1.00 0.42 H new ATOM 0 HA GLU A 77 -6.454 19.538 -3.773 1.00 0.44 H new ATOM 0 HB2 GLU A 77 -8.631 20.956 -3.003 1.00 0.61 H new ATOM 0 HB3 GLU A 77 -7.720 21.232 -4.475 1.00 0.61 H new ATOM 0 HG2 GLU A 77 -10.013 21.238 -5.083 1.00 1.06 H new ATOM 0 HG3 GLU A 77 -9.342 19.737 -5.689 1.00 1.06 H new ATOM 886 N GLU A 78 -8.739 17.952 -2.015 1.00 0.41 N ATOM 887 CA GLU A 78 -8.926 17.269 -0.733 1.00 0.43 C ATOM 888 C GLU A 78 -7.627 16.638 -0.226 1.00 0.38 C ATOM 889 O GLU A 78 -7.185 16.915 0.893 1.00 0.40 O ATOM 890 CB GLU A 78 -10.005 16.192 -0.845 1.00 0.51 C ATOM 891 CG GLU A 78 -11.403 16.747 -1.016 1.00 0.59 C ATOM 892 CD GLU A 78 -11.833 17.616 0.145 1.00 1.23 C ATOM 893 OE1 GLU A 78 -11.679 17.180 1.302 1.00 1.95 O ATOM 894 OE2 GLU A 78 -12.311 18.745 -0.089 1.00 1.38 O ATOM 0 H GLU A 78 -9.461 17.753 -2.708 1.00 0.41 H new ATOM 0 HA GLU A 78 -9.241 18.026 -0.015 1.00 0.43 H new ATOM 0 HB2 GLU A 78 -9.774 15.546 -1.692 1.00 0.51 H new ATOM 0 HB3 GLU A 78 -9.978 15.569 0.049 1.00 0.51 H new ATOM 0 HG2 GLU A 78 -11.448 17.329 -1.936 1.00 0.59 H new ATOM 0 HG3 GLU A 78 -12.106 15.921 -1.126 1.00 0.59 H new ATOM 901 N ALA A 79 -7.003 15.806 -1.054 1.00 0.34 N ATOM 902 CA ALA A 79 -5.778 15.122 -0.660 1.00 0.32 C ATOM 903 C ALA A 79 -4.576 16.066 -0.690 1.00 0.33 C ATOM 904 O ALA A 79 -3.589 15.841 0.007 1.00 0.38 O ATOM 905 CB ALA A 79 -5.528 13.906 -1.543 1.00 0.32 C ATOM 0 H ALA A 79 -7.324 15.590 -1.998 1.00 0.34 H new ATOM 0 HA ALA A 79 -5.908 14.781 0.367 1.00 0.32 H new ATOM 0 HB1 ALA A 79 -4.608 13.412 -1.230 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -6.363 13.211 -1.450 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -5.434 14.224 -2.581 1.00 0.32 H new ATOM 911 N VAL A 80 -4.659 17.123 -1.496 1.00 0.33 N ATOM 912 CA VAL A 80 -3.594 18.120 -1.561 1.00 0.39 C ATOM 913 C VAL A 80 -3.430 18.830 -0.220 1.00 0.45 C ATOM 914 O VAL A 80 -2.310 19.016 0.254 1.00 0.52 O ATOM 915 CB VAL A 80 -3.839 19.152 -2.689 1.00 0.43 C ATOM 916 CG1 VAL A 80 -2.938 20.367 -2.533 1.00 0.50 C ATOM 917 CG2 VAL A 80 -3.610 18.510 -4.047 1.00 0.44 C ATOM 0 H VAL A 80 -5.451 17.310 -2.111 1.00 0.33 H new ATOM 0 HA VAL A 80 -2.671 17.589 -1.791 1.00 0.39 H new ATOM 0 HB VAL A 80 -4.874 19.485 -2.617 1.00 0.43 H new ATOM 0 HG11 VAL A 80 -3.135 21.072 -3.341 1.00 0.50 H new ATOM 0 HG12 VAL A 80 -3.138 20.847 -1.575 1.00 0.50 H new ATOM 0 HG13 VAL A 80 -1.895 20.054 -2.571 1.00 0.50 H new ATOM 0 HG21 VAL A 80 -3.785 19.246 -4.832 1.00 0.44 H new ATOM 0 HG22 VAL A 80 -2.583 18.150 -4.111 1.00 0.44 H new ATOM 0 HG23 VAL A 80 -4.297 17.673 -4.174 1.00 0.44 H new ATOM 927 N SER A 81 -4.546 19.209 0.396 1.00 0.46 N ATOM 928 CA SER A 81 -4.512 19.798 1.730 1.00 0.55 C ATOM 929 C SER A 81 -3.913 18.801 2.722 1.00 0.53 C ATOM 930 O SER A 81 -3.061 19.149 3.536 1.00 0.59 O ATOM 931 CB SER A 81 -5.920 20.201 2.168 1.00 0.59 C ATOM 932 OG SER A 81 -6.538 21.021 1.193 1.00 1.03 O ATOM 0 H SER A 81 -5.480 19.119 -0.005 1.00 0.46 H new ATOM 0 HA SER A 81 -3.889 20.692 1.706 1.00 0.55 H new ATOM 0 HB2 SER A 81 -6.523 19.308 2.333 1.00 0.59 H new ATOM 0 HB3 SER A 81 -5.871 20.733 3.118 1.00 0.59 H new ATOM 0 HG SER A 81 -6.839 20.467 0.443 1.00 1.03 H new ATOM 938 N TRP A 82 -4.397 17.565 2.646 1.00 0.46 N ATOM 939 CA TRP A 82 -3.831 16.462 3.422 1.00 0.47 C ATOM 940 C TRP A 82 -2.302 16.393 3.259 1.00 0.48 C ATOM 941 O TRP A 82 -1.573 16.254 4.241 1.00 0.52 O ATOM 942 CB TRP A 82 -4.492 15.142 3.018 1.00 0.46 C ATOM 943 CG TRP A 82 -3.602 13.953 3.183 1.00 0.42 C ATOM 944 CD1 TRP A 82 -3.043 13.225 2.180 1.00 0.42 C ATOM 945 CD2 TRP A 82 -3.153 13.364 4.408 1.00 0.42 C ATOM 946 NE1 TRP A 82 -2.272 12.223 2.703 1.00 0.41 N ATOM 947 CE2 TRP A 82 -2.326 12.283 4.066 1.00 0.40 C ATOM 948 CE3 TRP A 82 -3.369 13.644 5.759 1.00 0.46 C ATOM 949 CZ2 TRP A 82 -1.714 11.480 5.017 1.00 0.41 C ATOM 950 CZ3 TRP A 82 -2.760 12.846 6.708 1.00 0.46 C ATOM 951 CH2 TRP A 82 -1.940 11.774 6.330 1.00 0.43 C ATOM 0 H TRP A 82 -5.183 17.300 2.053 1.00 0.46 H new ATOM 0 HA TRP A 82 -4.036 16.641 4.477 1.00 0.47 H new ATOM 0 HB2 TRP A 82 -5.392 14.998 3.616 1.00 0.46 H new ATOM 0 HB3 TRP A 82 -4.808 15.207 1.977 1.00 0.46 H new ATOM 0 HD1 TRP A 82 -3.186 13.410 1.126 1.00 0.42 H new ATOM 0 HE1 TRP A 82 -1.742 11.540 2.161 1.00 0.41 H new ATOM 0 HE3 TRP A 82 -4.000 14.469 6.056 1.00 0.46 H new ATOM 0 HZ2 TRP A 82 -1.082 10.653 4.729 1.00 0.41 H new ATOM 0 HZ3 TRP A 82 -2.918 13.051 7.756 1.00 0.46 H new ATOM 0 HH2 TRP A 82 -1.477 11.168 7.095 1.00 0.43 H new ATOM 962 N GLN A 83 -1.829 16.500 2.023 1.00 0.49 N ATOM 963 CA GLN A 83 -0.393 16.531 1.739 1.00 0.55 C ATOM 964 C GLN A 83 0.289 17.666 2.503 1.00 0.60 C ATOM 965 O GLN A 83 1.362 17.488 3.083 1.00 0.61 O ATOM 966 CB GLN A 83 -0.168 16.709 0.238 1.00 0.64 C ATOM 967 CG GLN A 83 1.286 16.920 -0.151 1.00 0.84 C ATOM 968 CD GLN A 83 1.439 17.328 -1.605 1.00 1.04 C ATOM 969 OE1 GLN A 83 2.450 17.043 -2.240 1.00 1.48 O ATOM 970 NE2 GLN A 83 0.438 18.015 -2.134 1.00 0.98 N ATOM 0 H GLN A 83 -2.420 16.567 1.195 1.00 0.49 H new ATOM 0 HA GLN A 83 0.044 15.587 2.064 1.00 0.55 H new ATOM 0 HB2 GLN A 83 -0.548 15.830 -0.282 1.00 0.64 H new ATOM 0 HB3 GLN A 83 -0.753 17.562 -0.108 1.00 0.64 H new ATOM 0 HG2 GLN A 83 1.723 17.688 0.488 1.00 0.84 H new ATOM 0 HG3 GLN A 83 1.845 16.001 0.027 1.00 0.84 H new ATOM 0 HE21 GLN A 83 -0.385 18.231 -1.572 1.00 0.98 H new ATOM 0 HE22 GLN A 83 0.490 18.328 -3.103 1.00 0.98 H new ATOM 979 N GLU A 84 -0.353 18.822 2.501 1.00 0.68 N ATOM 980 CA GLU A 84 0.169 19.995 3.193 1.00 0.78 C ATOM 981 C GLU A 84 0.234 19.745 4.698 1.00 0.82 C ATOM 982 O GLU A 84 1.207 20.113 5.359 1.00 0.95 O ATOM 983 CB GLU A 84 -0.681 21.218 2.883 1.00 0.86 C ATOM 984 CG GLU A 84 -0.686 21.557 1.405 1.00 0.94 C ATOM 985 CD GLU A 84 0.693 21.885 0.873 1.00 1.25 C ATOM 986 OE1 GLU A 84 1.154 23.029 1.064 1.00 1.47 O ATOM 987 OE2 GLU A 84 1.325 21.004 0.252 1.00 1.61 O ATOM 0 H GLU A 84 -1.242 18.977 2.026 1.00 0.68 H new ATOM 0 HA GLU A 84 1.182 20.185 2.837 1.00 0.78 H new ATOM 0 HB2 GLU A 84 -1.704 21.041 3.216 1.00 0.86 H new ATOM 0 HB3 GLU A 84 -0.305 22.071 3.448 1.00 0.86 H new ATOM 0 HG2 GLU A 84 -1.096 20.716 0.846 1.00 0.94 H new ATOM 0 HG3 GLU A 84 -1.348 22.406 1.234 1.00 0.94 H new ATOM 994 N ARG A 85 -0.808 19.102 5.226 1.00 0.77 N ATOM 995 CA ARG A 85 -0.851 18.695 6.633 1.00 0.87 C ATOM 996 C ARG A 85 0.312 17.771 6.989 1.00 0.80 C ATOM 997 O ARG A 85 0.755 17.736 8.134 1.00 0.93 O ATOM 998 CB ARG A 85 -2.182 18.003 6.954 1.00 0.96 C ATOM 999 CG ARG A 85 -3.361 18.958 7.041 1.00 1.23 C ATOM 1000 CD ARG A 85 -3.158 19.971 8.153 1.00 1.45 C ATOM 1001 NE ARG A 85 -4.279 20.901 8.273 1.00 2.09 N ATOM 1002 CZ ARG A 85 -4.505 21.654 9.347 1.00 2.42 C ATOM 1003 NH1 ARG A 85 -3.709 21.561 10.407 1.00 2.45 N ATOM 1004 NH2 ARG A 85 -5.536 22.491 9.359 1.00 3.26 N ATOM 0 H ARG A 85 -1.642 18.849 4.695 1.00 0.77 H new ATOM 0 HA ARG A 85 -0.762 19.599 7.235 1.00 0.87 H new ATOM 0 HB2 ARG A 85 -2.387 17.256 6.188 1.00 0.96 H new ATOM 0 HB3 ARG A 85 -2.086 17.471 7.901 1.00 0.96 H new ATOM 0 HG2 ARG A 85 -3.485 19.476 6.090 1.00 1.23 H new ATOM 0 HG3 ARG A 85 -4.277 18.395 7.219 1.00 1.23 H new ATOM 0 HD2 ARG A 85 -3.023 19.446 9.099 1.00 1.45 H new ATOM 0 HD3 ARG A 85 -2.243 20.532 7.966 1.00 1.45 H new ATOM 0 HE ARG A 85 -4.926 20.977 7.488 1.00 2.09 H new ATOM 0 HH11 ARG A 85 -2.923 20.911 10.399 1.00 2.45 H new ATOM 0 HH12 ARG A 85 -3.884 22.139 11.229 1.00 2.45 H new ATOM 0 HH21 ARG A 85 -6.151 22.555 8.547 1.00 3.26 H new ATOM 0 HH22 ARG A 85 -5.713 23.070 10.180 1.00 3.26 H new ATOM 1018 N ARG A 86 0.820 17.044 6.004 1.00 0.71 N ATOM 1019 CA ARG A 86 1.963 16.169 6.233 1.00 0.80 C ATOM 1020 C ARG A 86 3.224 16.994 6.350 1.00 0.75 C ATOM 1021 O ARG A 86 4.034 16.789 7.248 1.00 0.78 O ATOM 1022 CB ARG A 86 2.145 15.158 5.106 1.00 0.96 C ATOM 1023 CG ARG A 86 1.035 14.139 5.011 1.00 1.18 C ATOM 1024 CD ARG A 86 1.499 12.890 4.276 1.00 1.04 C ATOM 1025 NE ARG A 86 2.706 12.322 4.885 1.00 1.92 N ATOM 1026 CZ ARG A 86 2.911 11.016 5.082 1.00 2.68 C ATOM 1027 NH1 ARG A 86 1.991 10.130 4.711 1.00 2.91 N ATOM 1028 NH2 ARG A 86 4.036 10.598 5.653 1.00 3.72 N ATOM 0 H ARG A 86 0.464 17.041 5.048 1.00 0.71 H new ATOM 0 HA ARG A 86 1.772 15.624 7.157 1.00 0.80 H new ATOM 0 HB2 ARG A 86 2.215 15.693 4.159 1.00 0.96 H new ATOM 0 HB3 ARG A 86 3.092 14.637 5.248 1.00 0.96 H new ATOM 0 HG2 ARG A 86 0.697 13.871 6.012 1.00 1.18 H new ATOM 0 HG3 ARG A 86 0.181 14.574 4.492 1.00 1.18 H new ATOM 0 HD2 ARG A 86 0.703 12.146 4.283 1.00 1.04 H new ATOM 0 HD3 ARG A 86 1.698 13.134 3.232 1.00 1.04 H new ATOM 0 HE ARG A 86 3.439 12.968 5.178 1.00 1.92 H new ATOM 0 HH11 ARG A 86 1.125 10.446 4.274 1.00 2.91 H new ATOM 0 HH12 ARG A 86 2.151 9.134 4.863 1.00 2.91 H new ATOM 0 HH21 ARG A 86 4.743 11.274 5.941 1.00 3.72 H new ATOM 0 HH22 ARG A 86 4.192 9.601 5.803 1.00 3.72 H new ATOM 1042 N MET A 87 3.369 17.928 5.431 1.00 0.77 N ATOM 1043 CA MET A 87 4.541 18.783 5.376 1.00 0.89 C ATOM 1044 C MET A 87 4.664 19.632 6.633 1.00 0.93 C ATOM 1045 O MET A 87 5.736 19.712 7.225 1.00 1.01 O ATOM 1046 CB MET A 87 4.466 19.676 4.141 1.00 1.11 C ATOM 1047 CG MET A 87 4.674 18.951 2.815 1.00 1.21 C ATOM 1048 SD MET A 87 6.326 18.234 2.639 1.00 1.69 S ATOM 1049 CE MET A 87 6.091 16.598 3.335 1.00 1.11 C ATOM 0 H MET A 87 2.680 18.116 4.703 1.00 0.77 H new ATOM 0 HA MET A 87 5.426 18.150 5.314 1.00 0.89 H new ATOM 0 HB2 MET A 87 3.492 20.166 4.123 1.00 1.11 H new ATOM 0 HB3 MET A 87 5.216 20.461 4.231 1.00 1.11 H new ATOM 0 HG2 MET A 87 3.931 18.159 2.722 1.00 1.21 H new ATOM 0 HG3 MET A 87 4.500 19.649 1.996 1.00 1.21 H new ATOM 0 HE1 MET A 87 6.806 16.440 4.143 1.00 1.11 H new ATOM 0 HE2 MET A 87 5.077 16.511 3.726 1.00 1.11 H new ATOM 0 HE3 MET A 87 6.247 15.847 2.560 1.00 1.11 H new ATOM 1059 N ALA A 88 3.567 20.266 7.038 1.00 0.97 N ATOM 1060 CA ALA A 88 3.554 21.092 8.241 1.00 1.13 C ATOM 1061 C ALA A 88 3.859 20.288 9.507 1.00 1.14 C ATOM 1062 O ALA A 88 4.286 20.847 10.519 1.00 1.29 O ATOM 1063 CB ALA A 88 2.206 21.785 8.375 1.00 1.32 C ATOM 0 H ALA A 88 2.673 20.223 6.549 1.00 0.97 H new ATOM 0 HA ALA A 88 4.345 21.834 8.135 1.00 1.13 H new ATOM 0 HB1 ALA A 88 2.201 22.400 9.275 1.00 1.32 H new ATOM 0 HB2 ALA A 88 2.033 22.416 7.503 1.00 1.32 H new ATOM 0 HB3 ALA A 88 1.417 21.036 8.444 1.00 1.32 H new ATOM 1069 N ALA A 89 3.637 18.983 9.454 1.00 1.05 N ATOM 1070 CA ALA A 89 3.846 18.133 10.620 1.00 1.18 C ATOM 1071 C ALA A 89 5.220 17.474 10.591 1.00 1.20 C ATOM 1072 O ALA A 89 5.828 17.227 11.635 1.00 1.45 O ATOM 1073 CB ALA A 89 2.757 17.077 10.702 1.00 1.25 C ATOM 0 H ALA A 89 3.314 18.490 8.621 1.00 1.05 H new ATOM 0 HA ALA A 89 3.798 18.765 11.507 1.00 1.18 H new ATOM 0 HB1 ALA A 89 2.924 16.449 11.577 1.00 1.25 H new ATOM 0 HB2 ALA A 89 1.785 17.563 10.785 1.00 1.25 H new ATOM 0 HB3 ALA A 89 2.779 16.461 9.803 1.00 1.25 H new ATOM 1079 N ALA A 90 5.702 17.193 9.393 1.00 1.01 N ATOM 1080 CA ALA A 90 6.978 16.521 9.213 1.00 1.10 C ATOM 1081 C ALA A 90 8.119 17.528 9.120 1.00 1.12 C ATOM 1082 O ALA A 90 7.916 18.675 8.721 1.00 1.00 O ATOM 1083 CB ALA A 90 6.932 15.655 7.962 1.00 1.05 C ATOM 0 H ALA A 90 5.224 17.422 8.522 1.00 1.01 H new ATOM 0 HA ALA A 90 7.161 15.888 10.081 1.00 1.10 H new ATOM 0 HB1 ALA A 90 7.891 15.153 7.831 1.00 1.05 H new ATOM 0 HB2 ALA A 90 6.143 14.910 8.064 1.00 1.05 H new ATOM 0 HB3 ALA A 90 6.729 16.281 7.093 1.00 1.05 H new ATOM 1089 N PRO A 91 9.333 17.119 9.523 1.00 1.40 N ATOM 1090 CA PRO A 91 10.535 17.945 9.376 1.00 1.57 C ATOM 1091 C PRO A 91 10.806 18.279 7.912 1.00 1.45 C ATOM 1092 O PRO A 91 10.459 17.507 7.016 1.00 1.42 O ATOM 1093 CB PRO A 91 11.655 17.059 9.936 1.00 1.91 C ATOM 1094 CG PRO A 91 10.968 16.058 10.795 1.00 1.96 C ATOM 1095 CD PRO A 91 9.626 15.826 10.164 1.00 1.67 C ATOM 0 HA PRO A 91 10.444 18.902 9.889 1.00 1.57 H new ATOM 0 HB2 PRO A 91 12.211 16.574 9.134 1.00 1.91 H new ATOM 0 HB3 PRO A 91 12.371 17.646 10.511 1.00 1.91 H new ATOM 0 HG2 PRO A 91 11.540 15.132 10.849 1.00 1.96 H new ATOM 0 HG3 PRO A 91 10.861 16.426 11.815 1.00 1.96 H new ATOM 0 HD2 PRO A 91 9.656 15.013 9.438 1.00 1.67 H new ATOM 0 HD3 PRO A 91 8.872 15.563 10.905 1.00 1.67 H new ATOM 1103 N PRO A 92 11.439 19.441 7.660 1.00 1.56 N ATOM 1104 CA PRO A 92 11.685 19.957 6.302 1.00 1.67 C ATOM 1105 C PRO A 92 12.478 18.999 5.409 1.00 1.87 C ATOM 1106 O PRO A 92 12.526 19.180 4.194 1.00 2.74 O ATOM 1107 CB PRO A 92 12.494 21.234 6.545 1.00 1.98 C ATOM 1108 CG PRO A 92 12.167 21.637 7.937 1.00 2.05 C ATOM 1109 CD PRO A 92 11.958 20.355 8.690 1.00 1.77 C ATOM 0 HA PRO A 92 10.745 20.109 5.771 1.00 1.67 H new ATOM 0 HB2 PRO A 92 13.562 21.053 6.427 1.00 1.98 H new ATOM 0 HB3 PRO A 92 12.223 22.014 5.834 1.00 1.98 H new ATOM 0 HG2 PRO A 92 12.975 22.222 8.376 1.00 2.05 H new ATOM 0 HG3 PRO A 92 11.272 22.259 7.965 1.00 2.05 H new ATOM 0 HD2 PRO A 92 12.888 19.987 9.124 1.00 1.77 H new ATOM 0 HD3 PRO A 92 11.251 20.480 9.510 1.00 1.77 H new ATOM 1117 N GLY A 93 13.108 17.996 6.013 1.00 1.48 N ATOM 1118 CA GLY A 93 13.845 17.009 5.244 1.00 1.64 C ATOM 1119 C GLY A 93 12.935 15.982 4.598 1.00 1.50 C ATOM 1120 O GLY A 93 13.366 15.198 3.748 1.00 1.68 O ATOM 0 H GLY A 93 13.121 17.849 7.022 1.00 1.48 H new ATOM 0 HA2 GLY A 93 14.425 17.514 4.471 1.00 1.64 H new ATOM 0 HA3 GLY A 93 14.556 16.501 5.896 1.00 1.64 H new ATOM 1124 N CYS A 94 11.674 15.986 5.003 1.00 1.28 N ATOM 1125 CA CYS A 94 10.694 15.063 4.462 1.00 1.27 C ATOM 1126 C CYS A 94 10.241 15.504 3.075 1.00 1.14 C ATOM 1127 O CYS A 94 9.799 16.635 2.882 1.00 1.17 O ATOM 1128 CB CYS A 94 9.489 14.962 5.396 1.00 1.33 C ATOM 1129 SG CYS A 94 8.174 13.872 4.799 1.00 2.34 S ATOM 0 H CYS A 94 11.306 16.623 5.709 1.00 1.28 H new ATOM 0 HA CYS A 94 11.162 14.082 4.377 1.00 1.27 H new ATOM 0 HB2 CYS A 94 9.827 14.605 6.369 1.00 1.33 H new ATOM 0 HB3 CYS A 94 9.077 15.960 5.548 1.00 1.33 H new ATOM 0 HG CYS A 94 7.292 13.702 5.738 1.00 2.34 H new ATOM 1135 N THR A 95 10.364 14.607 2.114 1.00 1.27 N ATOM 1136 CA THR A 95 9.909 14.865 0.762 1.00 1.33 C ATOM 1137 C THR A 95 8.571 14.167 0.527 1.00 0.96 C ATOM 1138 O THR A 95 8.428 12.980 0.824 1.00 0.86 O ATOM 1139 CB THR A 95 10.954 14.372 -0.254 1.00 1.73 C ATOM 1140 OG1 THR A 95 12.234 14.928 0.075 1.00 1.72 O ATOM 1141 CG2 THR A 95 10.575 14.766 -1.675 1.00 2.23 C ATOM 0 H THR A 95 10.779 13.685 2.248 1.00 1.27 H new ATOM 0 HA THR A 95 9.777 15.939 0.629 1.00 1.33 H new ATOM 0 HB THR A 95 10.994 13.284 -0.205 1.00 1.73 H new ATOM 0 HG1 THR A 95 12.902 14.614 -0.570 1.00 1.72 H new ATOM 0 HG21 THR A 95 11.334 14.403 -2.368 1.00 2.23 H new ATOM 0 HG22 THR A 95 9.611 14.326 -1.930 1.00 2.23 H new ATOM 0 HG23 THR A 95 10.509 15.852 -1.746 1.00 2.23 H new ATOM 1149 N PRO A 96 7.567 14.908 0.028 1.00 0.93 N ATOM 1150 CA PRO A 96 6.225 14.367 -0.222 1.00 0.76 C ATOM 1151 C PRO A 96 6.225 13.238 -1.249 1.00 0.61 C ATOM 1152 O PRO A 96 6.766 13.380 -2.348 1.00 0.71 O ATOM 1153 CB PRO A 96 5.436 15.573 -0.752 1.00 1.07 C ATOM 1154 CG PRO A 96 6.467 16.542 -1.216 1.00 1.30 C ATOM 1155 CD PRO A 96 7.654 16.338 -0.320 1.00 1.27 C ATOM 0 HA PRO A 96 5.799 13.927 0.680 1.00 0.76 H new ATOM 0 HB2 PRO A 96 4.774 15.282 -1.567 1.00 1.07 H new ATOM 0 HB3 PRO A 96 4.810 16.007 0.028 1.00 1.07 H new ATOM 0 HG2 PRO A 96 6.729 16.364 -2.259 1.00 1.30 H new ATOM 0 HG3 PRO A 96 6.099 17.566 -1.150 1.00 1.30 H new ATOM 0 HD2 PRO A 96 8.589 16.573 -0.829 1.00 1.27 H new ATOM 0 HD3 PRO A 96 7.605 16.972 0.565 1.00 1.27 H new ATOM 1163 N PRO A 97 5.640 12.084 -0.883 1.00 0.50 N ATOM 1164 CA PRO A 97 5.441 10.960 -1.804 1.00 0.46 C ATOM 1165 C PRO A 97 4.350 11.259 -2.835 1.00 0.45 C ATOM 1166 O PRO A 97 3.827 12.375 -2.881 1.00 0.68 O ATOM 1167 CB PRO A 97 5.008 9.825 -0.878 1.00 0.59 C ATOM 1168 CG PRO A 97 4.360 10.514 0.269 1.00 0.69 C ATOM 1169 CD PRO A 97 5.140 11.781 0.470 1.00 0.64 C ATOM 0 HA PRO A 97 6.334 10.733 -2.386 1.00 0.46 H new ATOM 0 HB2 PRO A 97 4.316 9.146 -1.377 1.00 0.59 H new ATOM 0 HB3 PRO A 97 5.861 9.229 -0.554 1.00 0.59 H new ATOM 0 HG2 PRO A 97 3.312 10.728 0.057 1.00 0.69 H new ATOM 0 HG3 PRO A 97 4.384 9.893 1.164 1.00 0.69 H new ATOM 0 HD2 PRO A 97 4.512 12.584 0.857 1.00 0.64 H new ATOM 0 HD3 PRO A 97 5.956 11.644 1.180 1.00 0.64 H new ATOM 1177 N ALA A 98 3.998 10.270 -3.655 1.00 0.44 N ATOM 1178 CA ALA A 98 2.984 10.461 -4.689 1.00 0.44 C ATOM 1179 C ALA A 98 1.601 10.629 -4.080 1.00 0.38 C ATOM 1180 O ALA A 98 1.104 9.732 -3.393 1.00 0.39 O ATOM 1181 CB ALA A 98 2.981 9.283 -5.657 1.00 0.54 C ATOM 0 H ALA A 98 4.398 9.332 -3.623 1.00 0.44 H new ATOM 0 HA ALA A 98 3.234 11.372 -5.233 1.00 0.44 H new ATOM 0 HB1 ALA A 98 2.220 9.442 -6.421 1.00 0.54 H new ATOM 0 HB2 ALA A 98 3.959 9.199 -6.131 1.00 0.54 H new ATOM 0 HB3 ALA A 98 2.762 8.365 -5.112 1.00 0.54 H new ATOM 1187 N LEU A 99 0.982 11.766 -4.342 1.00 0.45 N ATOM 1188 CA LEU A 99 -0.355 12.042 -3.851 1.00 0.44 C ATOM 1189 C LEU A 99 -1.375 11.523 -4.859 1.00 0.44 C ATOM 1190 O LEU A 99 -1.393 11.950 -6.016 1.00 0.61 O ATOM 1191 CB LEU A 99 -0.520 13.548 -3.630 1.00 0.52 C ATOM 1192 CG LEU A 99 -1.786 13.984 -2.895 1.00 0.41 C ATOM 1193 CD1 LEU A 99 -1.767 13.491 -1.461 1.00 0.46 C ATOM 1194 CD2 LEU A 99 -1.911 15.493 -2.932 1.00 0.46 C ATOM 0 H LEU A 99 1.389 12.519 -4.897 1.00 0.45 H new ATOM 0 HA LEU A 99 -0.516 11.537 -2.898 1.00 0.44 H new ATOM 0 HB2 LEU A 99 0.343 13.909 -3.071 1.00 0.52 H new ATOM 0 HB3 LEU A 99 -0.500 14.042 -4.602 1.00 0.52 H new ATOM 0 HG LEU A 99 -2.649 13.545 -3.395 1.00 0.41 H new ATOM 0 HD11 LEU A 99 -2.677 13.812 -0.954 1.00 0.46 H new ATOM 0 HD12 LEU A 99 -1.710 12.403 -1.451 1.00 0.46 H new ATOM 0 HD13 LEU A 99 -0.900 13.904 -0.946 1.00 0.46 H new ATOM 0 HD21 LEU A 99 -2.816 15.796 -2.406 1.00 0.46 H new ATOM 0 HD22 LEU A 99 -1.043 15.942 -2.449 1.00 0.46 H new ATOM 0 HD23 LEU A 99 -1.964 15.828 -3.968 1.00 0.46 H new ATOM 1206 N LEU A 100 -2.213 10.596 -4.422 1.00 0.44 N ATOM 1207 CA LEU A 100 -3.147 9.937 -5.321 1.00 0.39 C ATOM 1208 C LEU A 100 -4.298 9.284 -4.562 1.00 0.44 C ATOM 1209 O LEU A 100 -4.454 9.469 -3.354 1.00 0.66 O ATOM 1210 CB LEU A 100 -2.419 8.926 -6.229 1.00 0.53 C ATOM 1211 CG LEU A 100 -1.141 8.285 -5.676 1.00 0.54 C ATOM 1212 CD1 LEU A 100 -1.451 7.070 -4.821 1.00 0.79 C ATOM 1213 CD2 LEU A 100 -0.213 7.904 -6.817 1.00 0.98 C ATOM 0 H LEU A 100 -2.266 10.284 -3.452 1.00 0.44 H new ATOM 0 HA LEU A 100 -3.584 10.703 -5.961 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -3.119 8.127 -6.475 1.00 0.53 H new ATOM 0 HB3 LEU A 100 -2.168 9.429 -7.163 1.00 0.53 H new ATOM 0 HG LEU A 100 -0.646 9.019 -5.040 1.00 0.54 H new ATOM 0 HD11 LEU A 100 -0.521 6.642 -4.446 1.00 0.79 H new ATOM 0 HD12 LEU A 100 -2.078 7.367 -3.981 1.00 0.79 H new ATOM 0 HD13 LEU A 100 -1.976 6.327 -5.421 1.00 0.79 H new ATOM 0 HD21 LEU A 100 0.692 7.450 -6.414 1.00 0.98 H new ATOM 0 HD22 LEU A 100 -0.715 7.193 -7.472 1.00 0.98 H new ATOM 0 HD23 LEU A 100 0.051 8.796 -7.385 1.00 0.98 H new ATOM 1225 N ASP A 101 -5.111 8.542 -5.290 1.00 0.41 N ATOM 1226 CA ASP A 101 -6.338 7.967 -4.753 1.00 0.44 C ATOM 1227 C ASP A 101 -6.251 6.440 -4.741 1.00 0.40 C ATOM 1228 O ASP A 101 -5.420 5.850 -5.439 1.00 0.47 O ATOM 1229 CB ASP A 101 -7.518 8.467 -5.608 1.00 0.52 C ATOM 1230 CG ASP A 101 -8.840 7.792 -5.312 1.00 1.03 C ATOM 1231 OD1 ASP A 101 -9.598 8.286 -4.454 1.00 1.92 O ATOM 1232 OD2 ASP A 101 -9.143 6.781 -5.974 1.00 1.25 O ATOM 0 H ASP A 101 -4.943 8.319 -6.271 1.00 0.41 H new ATOM 0 HA ASP A 101 -6.488 8.282 -3.720 1.00 0.44 H new ATOM 0 HB2 ASP A 101 -7.631 9.540 -5.456 1.00 0.52 H new ATOM 0 HB3 ASP A 101 -7.276 8.318 -6.660 1.00 0.52 H new ATOM 1237 N ILE A 102 -7.105 5.818 -3.919 1.00 0.46 N ATOM 1238 CA ILE A 102 -7.166 4.354 -3.736 1.00 0.42 C ATOM 1239 C ILE A 102 -7.440 3.615 -5.052 1.00 0.46 C ATOM 1240 O ILE A 102 -7.449 2.383 -5.108 1.00 0.77 O ATOM 1241 CB ILE A 102 -8.235 4.001 -2.660 1.00 0.41 C ATOM 1242 CG1 ILE A 102 -8.326 2.494 -2.397 1.00 0.42 C ATOM 1243 CG2 ILE A 102 -9.593 4.547 -3.055 1.00 0.45 C ATOM 1244 CD1 ILE A 102 -7.093 1.917 -1.746 1.00 0.44 C ATOM 0 H ILE A 102 -7.786 6.322 -3.351 1.00 0.46 H new ATOM 0 HA ILE A 102 -6.188 4.018 -3.391 1.00 0.42 H new ATOM 0 HB ILE A 102 -7.915 4.473 -1.731 1.00 0.41 H new ATOM 0 HG12 ILE A 102 -9.189 2.297 -1.760 1.00 0.42 H new ATOM 0 HG13 ILE A 102 -8.502 1.979 -3.341 1.00 0.42 H new ATOM 0 HG21 ILE A 102 -10.325 4.289 -2.290 1.00 0.45 H new ATOM 0 HG22 ILE A 102 -9.535 5.631 -3.152 1.00 0.45 H new ATOM 0 HG23 ILE A 102 -9.896 4.114 -4.008 1.00 0.45 H new ATOM 0 HD11 ILE A 102 -7.230 0.847 -1.591 1.00 0.44 H new ATOM 0 HD12 ILE A 102 -6.230 2.082 -2.391 1.00 0.44 H new ATOM 0 HD13 ILE A 102 -6.927 2.404 -0.785 1.00 0.44 H new ATOM 1256 N SER A 103 -7.600 4.372 -6.114 1.00 0.42 N ATOM 1257 CA SER A 103 -7.856 3.807 -7.432 1.00 0.51 C ATOM 1258 C SER A 103 -6.591 3.168 -8.006 1.00 0.48 C ATOM 1259 O SER A 103 -6.664 2.286 -8.860 1.00 0.58 O ATOM 1260 CB SER A 103 -8.389 4.888 -8.373 1.00 0.66 C ATOM 1261 OG SER A 103 -7.669 6.101 -8.210 1.00 1.46 O ATOM 0 H SER A 103 -7.558 5.391 -6.096 1.00 0.42 H new ATOM 0 HA SER A 103 -8.611 3.027 -7.333 1.00 0.51 H new ATOM 0 HB2 SER A 103 -8.309 4.549 -9.406 1.00 0.66 H new ATOM 0 HB3 SER A 103 -9.447 5.059 -8.175 1.00 0.66 H new ATOM 0 HG SER A 103 -8.083 6.634 -7.500 1.00 1.46 H new ATOM 1267 N TRP A 104 -5.433 3.618 -7.530 1.00 0.38 N ATOM 1268 CA TRP A 104 -4.160 3.038 -7.944 1.00 0.36 C ATOM 1269 C TRP A 104 -3.976 1.656 -7.330 1.00 0.34 C ATOM 1270 O TRP A 104 -3.409 0.757 -7.949 1.00 0.35 O ATOM 1271 CB TRP A 104 -2.988 3.949 -7.533 1.00 0.34 C ATOM 1272 CG TRP A 104 -1.665 3.229 -7.453 1.00 0.32 C ATOM 1273 CD1 TRP A 104 -0.825 2.911 -8.486 1.00 0.34 C ATOM 1274 CD2 TRP A 104 -1.038 2.725 -6.263 1.00 0.31 C ATOM 1275 NE1 TRP A 104 0.280 2.239 -8.007 1.00 0.34 N ATOM 1276 CE2 TRP A 104 0.169 2.113 -6.649 1.00 0.32 C ATOM 1277 CE3 TRP A 104 -1.384 2.733 -4.907 1.00 0.30 C ATOM 1278 CZ2 TRP A 104 1.027 1.514 -5.733 1.00 0.33 C ATOM 1279 CZ3 TRP A 104 -0.531 2.138 -3.999 1.00 0.31 C ATOM 1280 CH2 TRP A 104 0.663 1.536 -4.415 1.00 0.32 C ATOM 0 H TRP A 104 -5.351 4.381 -6.858 1.00 0.38 H new ATOM 0 HA TRP A 104 -4.170 2.945 -9.030 1.00 0.36 H new ATOM 0 HB2 TRP A 104 -2.905 4.766 -8.249 1.00 0.34 H new ATOM 0 HB3 TRP A 104 -3.208 4.396 -6.564 1.00 0.34 H new ATOM 0 HD1 TRP A 104 -1.002 3.151 -9.524 1.00 0.34 H new ATOM 0 HE1 TRP A 104 1.054 1.892 -8.573 1.00 0.34 H new ATOM 0 HE3 TRP A 104 -2.302 3.196 -4.577 1.00 0.30 H new ATOM 0 HZ2 TRP A 104 1.948 1.048 -6.051 1.00 0.33 H new ATOM 0 HZ3 TRP A 104 -0.789 2.137 -2.950 1.00 0.31 H new ATOM 0 HH2 TRP A 104 1.310 1.080 -3.680 1.00 0.32 H new ATOM 1291 N LEU A 105 -4.499 1.484 -6.127 1.00 0.34 N ATOM 1292 CA LEU A 105 -4.152 0.328 -5.321 1.00 0.32 C ATOM 1293 C LEU A 105 -4.956 -0.895 -5.725 1.00 0.31 C ATOM 1294 O LEU A 105 -4.416 -1.988 -5.794 1.00 0.34 O ATOM 1295 CB LEU A 105 -4.345 0.613 -3.836 1.00 0.33 C ATOM 1296 CG LEU A 105 -3.820 -0.482 -2.910 1.00 0.32 C ATOM 1297 CD1 LEU A 105 -2.369 -0.802 -3.234 1.00 0.34 C ATOM 1298 CD2 LEU A 105 -3.954 -0.054 -1.462 1.00 0.35 C ATOM 0 H LEU A 105 -5.161 2.126 -5.690 1.00 0.34 H new ATOM 0 HA LEU A 105 -3.098 0.118 -5.501 1.00 0.32 H new ATOM 0 HB2 LEU A 105 -3.845 1.550 -3.590 1.00 0.33 H new ATOM 0 HB3 LEU A 105 -5.408 0.758 -3.641 1.00 0.33 H new ATOM 0 HG LEU A 105 -4.415 -1.382 -3.065 1.00 0.32 H new ATOM 0 HD11 LEU A 105 -2.011 -1.584 -2.565 1.00 0.34 H new ATOM 0 HD12 LEU A 105 -2.294 -1.145 -4.266 1.00 0.34 H new ATOM 0 HD13 LEU A 105 -1.761 0.093 -3.104 1.00 0.34 H new ATOM 0 HD21 LEU A 105 -3.576 -0.844 -0.813 1.00 0.35 H new ATOM 0 HD22 LEU A 105 -3.379 0.857 -1.297 1.00 0.35 H new ATOM 0 HD23 LEU A 105 -5.003 0.133 -1.233 1.00 0.35 H new ATOM 1310 N THR A 106 -6.230 -0.715 -6.014 1.00 0.35 N ATOM 1311 CA THR A 106 -7.091 -1.842 -6.316 1.00 0.37 C ATOM 1312 C THR A 106 -6.626 -2.571 -7.580 1.00 0.36 C ATOM 1313 O THR A 106 -6.457 -3.794 -7.573 1.00 0.47 O ATOM 1314 CB THR A 106 -8.549 -1.380 -6.456 1.00 0.47 C ATOM 1315 OG1 THR A 106 -8.599 -0.158 -7.207 1.00 0.50 O ATOM 1316 CG2 THR A 106 -9.177 -1.170 -5.084 1.00 0.59 C ATOM 0 H THR A 106 -6.690 0.195 -6.046 1.00 0.35 H new ATOM 0 HA THR A 106 -7.030 -2.547 -5.487 1.00 0.37 H new ATOM 0 HB THR A 106 -9.112 -2.152 -6.981 1.00 0.47 H new ATOM 0 HG1 THR A 106 -9.530 0.133 -7.296 1.00 0.50 H new ATOM 0 HG21 THR A 106 -10.210 -0.843 -5.203 1.00 0.59 H new ATOM 0 HG22 THR A 106 -9.155 -2.106 -4.527 1.00 0.59 H new ATOM 0 HG23 THR A 106 -8.616 -0.410 -4.540 1.00 0.59 H new ATOM 1324 N GLU A 107 -6.446 -1.824 -8.667 1.00 0.38 N ATOM 1325 CA GLU A 107 -5.871 -2.366 -9.899 1.00 0.39 C ATOM 1326 C GLU A 107 -4.523 -3.053 -9.652 1.00 0.33 C ATOM 1327 O GLU A 107 -4.364 -4.236 -9.953 1.00 0.43 O ATOM 1328 CB GLU A 107 -5.709 -1.245 -10.930 1.00 0.46 C ATOM 1329 CG GLU A 107 -6.984 -0.448 -11.151 1.00 0.53 C ATOM 1330 CD GLU A 107 -6.845 0.607 -12.230 1.00 0.83 C ATOM 1331 OE1 GLU A 107 -5.949 1.472 -12.123 1.00 1.51 O ATOM 1332 OE2 GLU A 107 -7.658 0.593 -13.182 1.00 0.95 O ATOM 0 H GLU A 107 -6.691 -0.835 -8.721 1.00 0.38 H new ATOM 0 HA GLU A 107 -6.556 -3.123 -10.281 1.00 0.39 H new ATOM 0 HB2 GLU A 107 -4.918 -0.570 -10.603 1.00 0.46 H new ATOM 0 HB3 GLU A 107 -5.388 -1.676 -11.878 1.00 0.46 H new ATOM 0 HG2 GLU A 107 -7.790 -1.130 -11.420 1.00 0.53 H new ATOM 0 HG3 GLU A 107 -7.272 0.033 -10.216 1.00 0.53 H new ATOM 1339 N SER A 108 -3.551 -2.286 -9.157 1.00 0.35 N ATOM 1340 CA SER A 108 -2.225 -2.828 -8.824 1.00 0.36 C ATOM 1341 C SER A 108 -2.328 -4.112 -7.989 1.00 0.38 C ATOM 1342 O SER A 108 -1.555 -5.052 -8.194 1.00 0.46 O ATOM 1343 CB SER A 108 -1.357 -1.784 -8.110 1.00 0.45 C ATOM 1344 OG SER A 108 -2.004 -1.257 -6.972 1.00 0.88 O ATOM 0 H SER A 108 -3.653 -1.287 -8.976 1.00 0.35 H new ATOM 0 HA SER A 108 -1.740 -3.084 -9.766 1.00 0.36 H new ATOM 0 HB2 SER A 108 -0.412 -2.238 -7.813 1.00 0.45 H new ATOM 0 HB3 SER A 108 -1.119 -0.975 -8.801 1.00 0.45 H new ATOM 0 HG SER A 108 -2.400 -0.389 -7.194 1.00 0.88 H new ATOM 1350 N LEU A 109 -3.282 -4.159 -7.059 1.00 0.36 N ATOM 1351 CA LEU A 109 -3.546 -5.374 -6.297 1.00 0.43 C ATOM 1352 C LEU A 109 -3.965 -6.522 -7.205 1.00 0.52 C ATOM 1353 O LEU A 109 -3.400 -7.610 -7.135 1.00 0.75 O ATOM 1354 CB LEU A 109 -4.627 -5.156 -5.241 1.00 0.40 C ATOM 1355 CG LEU A 109 -4.225 -4.249 -4.085 1.00 0.47 C ATOM 1356 CD1 LEU A 109 -5.113 -4.506 -2.889 1.00 0.71 C ATOM 1357 CD2 LEU A 109 -2.768 -4.456 -3.727 1.00 0.86 C ATOM 0 H LEU A 109 -3.882 -3.370 -6.817 1.00 0.36 H new ATOM 0 HA LEU A 109 -2.611 -5.633 -5.799 1.00 0.43 H new ATOM 0 HB2 LEU A 109 -5.507 -4.733 -5.726 1.00 0.40 H new ATOM 0 HB3 LEU A 109 -4.920 -6.125 -4.838 1.00 0.40 H new ATOM 0 HG LEU A 109 -4.352 -3.212 -4.394 1.00 0.47 H new ATOM 0 HD11 LEU A 109 -4.817 -3.852 -2.069 1.00 0.71 H new ATOM 0 HD12 LEU A 109 -6.150 -4.305 -3.156 1.00 0.71 H new ATOM 0 HD13 LEU A 109 -5.013 -5.546 -2.578 1.00 0.71 H new ATOM 0 HD21 LEU A 109 -2.500 -3.799 -2.899 1.00 0.86 H new ATOM 0 HD22 LEU A 109 -2.609 -5.494 -3.433 1.00 0.86 H new ATOM 0 HD23 LEU A 109 -2.145 -4.224 -4.591 1.00 0.86 H new ATOM 1369 N GLY A 110 -4.955 -6.276 -8.056 1.00 0.48 N ATOM 1370 CA GLY A 110 -5.448 -7.313 -8.943 1.00 0.62 C ATOM 1371 C GLY A 110 -4.367 -7.834 -9.869 1.00 0.67 C ATOM 1372 O GLY A 110 -4.221 -9.044 -10.047 1.00 0.96 O ATOM 0 H GLY A 110 -5.425 -5.376 -8.147 1.00 0.48 H new ATOM 0 HA2 GLY A 110 -5.845 -8.137 -8.351 1.00 0.62 H new ATOM 0 HA3 GLY A 110 -6.274 -6.920 -9.536 1.00 0.62 H new ATOM 1376 N ALA A 111 -3.628 -6.915 -10.477 1.00 0.47 N ATOM 1377 CA ALA A 111 -2.500 -7.269 -11.332 1.00 0.53 C ATOM 1378 C ALA A 111 -1.409 -8.000 -10.553 1.00 0.59 C ATOM 1379 O ALA A 111 -0.715 -8.865 -11.090 1.00 0.71 O ATOM 1380 CB ALA A 111 -1.931 -6.022 -11.991 1.00 0.48 C ATOM 0 H ALA A 111 -3.791 -5.912 -10.393 1.00 0.47 H new ATOM 0 HA ALA A 111 -2.867 -7.947 -12.102 1.00 0.53 H new ATOM 0 HB1 ALA A 111 -1.090 -6.298 -12.627 1.00 0.48 H new ATOM 0 HB2 ALA A 111 -2.702 -5.546 -12.596 1.00 0.48 H new ATOM 0 HB3 ALA A 111 -1.592 -5.327 -11.223 1.00 0.48 H new ATOM 1386 N GLY A 112 -1.271 -7.651 -9.280 1.00 0.53 N ATOM 1387 CA GLY A 112 -0.265 -8.269 -8.439 1.00 0.60 C ATOM 1388 C GLY A 112 1.086 -7.605 -8.595 1.00 0.58 C ATOM 1389 O GLY A 112 2.117 -8.181 -8.251 1.00 0.66 O ATOM 0 H GLY A 112 -1.842 -6.946 -8.813 1.00 0.53 H new ATOM 0 HA2 GLY A 112 -0.579 -8.213 -7.397 1.00 0.60 H new ATOM 0 HA3 GLY A 112 -0.181 -9.326 -8.690 1.00 0.60 H new ATOM 1393 N GLN A 113 1.071 -6.386 -9.114 1.00 0.52 N ATOM 1394 CA GLN A 113 2.293 -5.641 -9.383 1.00 0.54 C ATOM 1395 C GLN A 113 2.023 -4.148 -9.284 1.00 0.50 C ATOM 1396 O GLN A 113 0.912 -3.695 -9.568 1.00 0.48 O ATOM 1397 CB GLN A 113 2.827 -5.974 -10.781 1.00 0.60 C ATOM 1398 CG GLN A 113 1.819 -5.727 -11.898 1.00 0.61 C ATOM 1399 CD GLN A 113 2.414 -5.856 -13.289 1.00 0.81 C ATOM 1400 OE1 GLN A 113 1.738 -6.295 -14.222 1.00 1.45 O ATOM 1401 NE2 GLN A 113 3.657 -5.426 -13.458 1.00 0.87 N ATOM 0 H GLN A 113 0.216 -5.887 -9.360 1.00 0.52 H new ATOM 0 HA GLN A 113 3.041 -5.924 -8.642 1.00 0.54 H new ATOM 0 HB2 GLN A 113 3.719 -5.378 -10.971 1.00 0.60 H new ATOM 0 HB3 GLN A 113 3.132 -7.020 -10.804 1.00 0.60 H new ATOM 0 HG2 GLN A 113 0.995 -6.434 -11.797 1.00 0.61 H new ATOM 0 HG3 GLN A 113 1.398 -4.728 -11.783 1.00 0.61 H new ATOM 0 HE21 GLN A 113 4.186 -5.069 -12.662 1.00 0.87 H new ATOM 0 HE22 GLN A 113 4.084 -5.452 -14.384 1.00 0.87 H new ATOM 1410 N PRO A 114 3.026 -3.363 -8.861 1.00 0.53 N ATOM 1411 CA PRO A 114 2.904 -1.911 -8.816 1.00 0.52 C ATOM 1412 C PRO A 114 2.823 -1.321 -10.219 1.00 0.54 C ATOM 1413 O PRO A 114 3.843 -1.105 -10.875 1.00 0.62 O ATOM 1414 CB PRO A 114 4.175 -1.449 -8.098 1.00 0.57 C ATOM 1415 CG PRO A 114 5.150 -2.562 -8.263 1.00 0.68 C ATOM 1416 CD PRO A 114 4.345 -3.828 -8.383 1.00 0.60 C ATOM 0 HA PRO A 114 1.996 -1.587 -8.307 1.00 0.52 H new ATOM 0 HB2 PRO A 114 4.557 -0.525 -8.531 1.00 0.57 H new ATOM 0 HB3 PRO A 114 3.981 -1.250 -7.044 1.00 0.57 H new ATOM 0 HG2 PRO A 114 5.765 -2.409 -9.150 1.00 0.68 H new ATOM 0 HG3 PRO A 114 5.827 -2.613 -7.410 1.00 0.68 H new ATOM 0 HD2 PRO A 114 4.801 -4.527 -9.084 1.00 0.60 H new ATOM 0 HD3 PRO A 114 4.265 -4.343 -7.426 1.00 0.60 H new ATOM 1424 N VAL A 115 1.600 -1.103 -10.675 1.00 0.51 N ATOM 1425 CA VAL A 115 1.345 -0.581 -12.008 1.00 0.53 C ATOM 1426 C VAL A 115 1.949 0.805 -12.195 1.00 0.49 C ATOM 1427 O VAL A 115 2.012 1.600 -11.253 1.00 0.45 O ATOM 1428 CB VAL A 115 -0.169 -0.514 -12.303 1.00 0.54 C ATOM 1429 CG1 VAL A 115 -0.773 -1.908 -12.311 1.00 0.65 C ATOM 1430 CG2 VAL A 115 -0.886 0.379 -11.298 1.00 0.47 C ATOM 0 H VAL A 115 0.756 -1.283 -10.131 1.00 0.51 H new ATOM 0 HA VAL A 115 1.819 -1.270 -12.707 1.00 0.53 H new ATOM 0 HB VAL A 115 -0.301 -0.075 -13.292 1.00 0.54 H new ATOM 0 HG11 VAL A 115 -1.841 -1.841 -12.521 1.00 0.65 H new ATOM 0 HG12 VAL A 115 -0.289 -2.510 -13.081 1.00 0.65 H new ATOM 0 HG13 VAL A 115 -0.623 -2.375 -11.338 1.00 0.65 H new ATOM 0 HG21 VAL A 115 -1.950 0.407 -11.531 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.745 -0.018 -10.293 1.00 0.47 H new ATOM 0 HG23 VAL A 115 -0.476 1.388 -11.351 1.00 0.47 H new ATOM 1440 N PRO A 116 2.420 1.093 -13.415 1.00 0.56 N ATOM 1441 CA PRO A 116 2.933 2.412 -13.779 1.00 0.58 C ATOM 1442 C PRO A 116 1.880 3.486 -13.551 1.00 0.48 C ATOM 1443 O PRO A 116 0.841 3.501 -14.211 1.00 0.55 O ATOM 1444 CB PRO A 116 3.256 2.281 -15.269 1.00 0.72 C ATOM 1445 CG PRO A 116 3.432 0.820 -15.490 1.00 0.85 C ATOM 1446 CD PRO A 116 2.490 0.147 -14.538 1.00 0.69 C ATOM 0 HA PRO A 116 3.797 2.705 -13.182 1.00 0.58 H new ATOM 0 HB2 PRO A 116 2.451 2.681 -15.885 1.00 0.72 H new ATOM 0 HB3 PRO A 116 4.160 2.833 -15.528 1.00 0.72 H new ATOM 0 HG2 PRO A 116 3.205 0.550 -16.521 1.00 0.85 H new ATOM 0 HG3 PRO A 116 4.462 0.517 -15.301 1.00 0.85 H new ATOM 0 HD2 PRO A 116 1.511 -0.018 -14.988 1.00 0.69 H new ATOM 0 HD3 PRO A 116 2.863 -0.827 -14.222 1.00 0.69 H new ATOM 1454 N VAL A 117 2.157 4.371 -12.611 1.00 0.46 N ATOM 1455 CA VAL A 117 1.187 5.359 -12.182 1.00 0.44 C ATOM 1456 C VAL A 117 1.034 6.464 -13.218 1.00 0.49 C ATOM 1457 O VAL A 117 1.969 7.226 -13.477 1.00 0.61 O ATOM 1458 CB VAL A 117 1.586 5.982 -10.829 1.00 0.58 C ATOM 1459 CG1 VAL A 117 0.525 6.960 -10.349 1.00 0.99 C ATOM 1460 CG2 VAL A 117 1.828 4.894 -9.791 1.00 1.25 C ATOM 0 H VAL A 117 3.053 4.425 -12.127 1.00 0.46 H new ATOM 0 HA VAL A 117 0.234 4.843 -12.068 1.00 0.44 H new ATOM 0 HB VAL A 117 2.515 6.535 -10.968 1.00 0.58 H new ATOM 0 HG11 VAL A 117 0.829 7.386 -9.393 1.00 0.99 H new ATOM 0 HG12 VAL A 117 0.408 7.759 -11.082 1.00 0.99 H new ATOM 0 HG13 VAL A 117 -0.424 6.437 -10.228 1.00 0.99 H new ATOM 0 HG21 VAL A 117 2.109 5.352 -8.843 1.00 1.25 H new ATOM 0 HG22 VAL A 117 0.917 4.310 -9.657 1.00 1.25 H new ATOM 0 HG23 VAL A 117 2.632 4.240 -10.130 1.00 1.25 H new ATOM 1470 N GLU A 118 -0.138 6.528 -13.823 1.00 0.57 N ATOM 1471 CA GLU A 118 -0.457 7.593 -14.748 1.00 0.70 C ATOM 1472 C GLU A 118 -0.837 8.849 -13.977 1.00 0.71 C ATOM 1473 O GLU A 118 -1.293 8.777 -12.832 1.00 0.66 O ATOM 1474 CB GLU A 118 -1.606 7.168 -15.663 1.00 0.84 C ATOM 1475 CG GLU A 118 -1.290 7.314 -17.140 1.00 1.34 C ATOM 1476 CD GLU A 118 -0.964 8.740 -17.526 1.00 1.95 C ATOM 1477 OE1 GLU A 118 0.189 9.167 -17.321 1.00 2.31 O ATOM 1478 OE2 GLU A 118 -1.858 9.436 -18.043 1.00 2.63 O ATOM 0 H GLU A 118 -0.887 5.849 -13.687 1.00 0.57 H new ATOM 0 HA GLU A 118 0.418 7.805 -15.362 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.860 6.129 -15.455 1.00 0.84 H new ATOM 0 HB3 GLU A 118 -2.487 7.765 -15.427 1.00 0.84 H new ATOM 0 HG2 GLU A 118 -0.447 6.671 -17.393 1.00 1.34 H new ATOM 0 HG3 GLU A 118 -2.142 6.968 -17.726 1.00 1.34 H new ATOM 1485 N CYS A 119 -0.649 9.995 -14.616 1.00 0.84 N ATOM 1486 CA CYS A 119 -0.973 11.285 -14.020 1.00 0.88 C ATOM 1487 C CYS A 119 -2.463 11.379 -13.684 1.00 0.79 C ATOM 1488 O CYS A 119 -2.871 12.198 -12.865 1.00 0.76 O ATOM 1489 CB CYS A 119 -0.555 12.409 -14.968 1.00 1.11 C ATOM 1490 SG CYS A 119 1.203 12.378 -15.398 1.00 2.07 S ATOM 0 H CYS A 119 -0.268 10.058 -15.560 1.00 0.84 H new ATOM 0 HA CYS A 119 -0.421 11.387 -13.085 1.00 0.88 H new ATOM 0 HB2 CYS A 119 -1.145 12.341 -15.882 1.00 1.11 H new ATOM 0 HB3 CYS A 119 -0.791 13.368 -14.507 1.00 1.11 H new ATOM 0 HG CYS A 119 1.470 13.362 -16.205 1.00 2.07 H new ATOM 1496 N ARG A 120 -3.264 10.534 -14.329 1.00 0.82 N ATOM 1497 CA ARG A 120 -4.694 10.450 -14.047 1.00 0.82 C ATOM 1498 C ARG A 120 -4.942 9.885 -12.646 1.00 0.68 C ATOM 1499 O ARG A 120 -5.876 10.292 -11.956 1.00 0.77 O ATOM 1500 CB ARG A 120 -5.384 9.576 -15.099 1.00 0.98 C ATOM 1501 CG ARG A 120 -6.886 9.438 -14.905 1.00 1.58 C ATOM 1502 CD ARG A 120 -7.590 10.782 -15.007 1.00 2.22 C ATOM 1503 NE ARG A 120 -9.039 10.648 -14.890 1.00 2.86 N ATOM 1504 CZ ARG A 120 -9.904 11.597 -15.243 1.00 3.77 C ATOM 1505 NH1 ARG A 120 -9.464 12.767 -15.688 1.00 4.23 N ATOM 1506 NH2 ARG A 120 -11.207 11.385 -15.127 1.00 4.59 N ATOM 0 H ARG A 120 -2.943 9.894 -15.055 1.00 0.82 H new ATOM 0 HA ARG A 120 -5.112 11.456 -14.087 1.00 0.82 H new ATOM 0 HB2 ARG A 120 -5.193 9.996 -16.086 1.00 0.98 H new ATOM 0 HB3 ARG A 120 -4.934 8.583 -15.083 1.00 0.98 H new ATOM 0 HG2 ARG A 120 -7.289 8.758 -15.655 1.00 1.58 H new ATOM 0 HG3 ARG A 120 -7.088 8.994 -13.930 1.00 1.58 H new ATOM 0 HD2 ARG A 120 -7.222 11.445 -14.224 1.00 2.22 H new ATOM 0 HD3 ARG A 120 -7.344 11.249 -15.961 1.00 2.22 H new ATOM 0 HE ARG A 120 -9.411 9.775 -14.515 1.00 2.86 H new ATOM 0 HH11 ARG A 120 -8.462 12.941 -15.760 1.00 4.23 H new ATOM 0 HH12 ARG A 120 -10.128 13.493 -15.958 1.00 4.23 H new ATOM 0 HH21 ARG A 120 -11.549 10.494 -14.767 1.00 4.59 H new ATOM 0 HH22 ARG A 120 -11.868 12.113 -15.398 1.00 4.59 H new ATOM 1520 N HIS A 121 -4.106 8.938 -12.228 1.00 0.57 N ATOM 1521 CA HIS A 121 -4.207 8.378 -10.884 1.00 0.56 C ATOM 1522 C HIS A 121 -3.495 9.275 -9.884 1.00 0.50 C ATOM 1523 O HIS A 121 -3.893 9.368 -8.732 1.00 0.63 O ATOM 1524 CB HIS A 121 -3.632 6.962 -10.825 1.00 0.66 C ATOM 1525 CG HIS A 121 -4.646 5.884 -11.059 1.00 0.72 C ATOM 1526 ND1 HIS A 121 -5.972 6.137 -11.340 1.00 1.34 N ATOM 1527 CD2 HIS A 121 -4.523 4.537 -11.034 1.00 1.33 C ATOM 1528 CE1 HIS A 121 -6.617 4.992 -11.475 1.00 1.34 C ATOM 1529 NE2 HIS A 121 -5.758 4.006 -11.295 1.00 1.22 N ATOM 0 H HIS A 121 -3.356 8.545 -12.797 1.00 0.57 H new ATOM 0 HA HIS A 121 -5.264 8.323 -10.624 1.00 0.56 H new ATOM 0 HB2 HIS A 121 -2.841 6.871 -11.569 1.00 0.66 H new ATOM 0 HB3 HIS A 121 -3.171 6.808 -9.849 1.00 0.66 H new ATOM 0 HD2 HIS A 121 -3.616 3.982 -10.843 1.00 1.33 H new ATOM 0 HE1 HIS A 121 -7.669 4.881 -11.695 1.00 1.34 H new ATOM 0 HE2 HIS A 121 -5.978 3.011 -11.343 1.00 1.22 H new ATOM 1538 N ARG A 122 -2.451 9.944 -10.355 1.00 0.49 N ATOM 1539 CA ARG A 122 -1.702 10.914 -9.558 1.00 0.50 C ATOM 1540 C ARG A 122 -2.362 12.289 -9.663 1.00 0.62 C ATOM 1541 O ARG A 122 -1.679 13.308 -9.719 1.00 1.05 O ATOM 1542 CB ARG A 122 -0.243 11.003 -10.016 1.00 0.64 C ATOM 1543 CG ARG A 122 0.705 11.444 -8.909 1.00 0.75 C ATOM 1544 CD ARG A 122 1.888 12.229 -9.454 1.00 0.95 C ATOM 1545 NE ARG A 122 1.483 13.550 -9.929 1.00 1.67 N ATOM 1546 CZ ARG A 122 2.230 14.649 -9.814 1.00 2.32 C ATOM 1547 NH1 ARG A 122 3.442 14.588 -9.276 1.00 2.38 N ATOM 1548 NH2 ARG A 122 1.762 15.816 -10.230 1.00 3.30 N ATOM 0 H ARG A 122 -2.096 9.831 -11.305 1.00 0.49 H new ATOM 0 HA ARG A 122 -1.712 10.580 -8.521 1.00 0.50 H new ATOM 0 HB2 ARG A 122 0.074 10.030 -10.391 1.00 0.64 H new ATOM 0 HB3 ARG A 122 -0.172 11.704 -10.848 1.00 0.64 H new ATOM 0 HG2 ARG A 122 0.163 12.058 -8.190 1.00 0.75 H new ATOM 0 HG3 ARG A 122 1.068 10.568 -8.371 1.00 0.75 H new ATOM 0 HD2 ARG A 122 2.643 12.337 -8.676 1.00 0.95 H new ATOM 0 HD3 ARG A 122 2.349 11.673 -10.271 1.00 0.95 H new ATOM 0 HE ARG A 122 0.571 13.637 -10.377 1.00 1.67 H new ATOM 0 HH11 ARG A 122 3.809 13.695 -8.946 1.00 2.38 H new ATOM 0 HH12 ARG A 122 4.006 15.434 -9.192 1.00 2.38 H new ATOM 0 HH21 ARG A 122 0.829 15.875 -10.639 1.00 3.30 H new ATOM 0 HH22 ARG A 122 2.334 16.656 -10.142 1.00 3.30 H new ATOM 1562 N LEU A 123 -3.688 12.278 -9.786 1.00 0.57 N ATOM 1563 CA LEU A 123 -4.506 13.458 -10.118 1.00 0.82 C ATOM 1564 C LEU A 123 -4.345 14.664 -9.172 1.00 0.73 C ATOM 1565 O LEU A 123 -5.093 15.634 -9.306 1.00 1.31 O ATOM 1566 CB LEU A 123 -5.991 13.063 -10.152 1.00 1.23 C ATOM 1567 CG LEU A 123 -6.661 12.818 -8.783 1.00 0.98 C ATOM 1568 CD1 LEU A 123 -8.171 12.719 -8.939 1.00 1.12 C ATOM 1569 CD2 LEU A 123 -6.130 11.550 -8.127 1.00 1.47 C ATOM 0 H LEU A 123 -4.243 11.432 -9.656 1.00 0.57 H new ATOM 0 HA LEU A 123 -4.141 13.786 -11.091 1.00 0.82 H new ATOM 0 HB2 LEU A 123 -6.543 13.848 -10.668 1.00 1.23 H new ATOM 0 HB3 LEU A 123 -6.091 12.157 -10.750 1.00 1.23 H new ATOM 0 HG LEU A 123 -6.420 13.666 -8.142 1.00 0.98 H new ATOM 0 HD11 LEU A 123 -8.627 12.546 -7.964 1.00 1.12 H new ATOM 0 HD12 LEU A 123 -8.555 13.648 -9.360 1.00 1.12 H new ATOM 0 HD13 LEU A 123 -8.414 11.891 -9.605 1.00 1.12 H new ATOM 0 HD21 LEU A 123 -6.621 11.405 -7.165 1.00 1.47 H new ATOM 0 HD22 LEU A 123 -6.334 10.694 -8.771 1.00 1.47 H new ATOM 0 HD23 LEU A 123 -5.055 11.642 -7.975 1.00 1.47 H new ATOM 1581 N GLU A 124 -3.405 14.606 -8.233 1.00 0.59 N ATOM 1582 CA GLU A 124 -3.143 15.715 -7.314 1.00 0.63 C ATOM 1583 C GLU A 124 -2.999 17.043 -8.062 1.00 0.79 C ATOM 1584 O GLU A 124 -2.110 17.158 -8.935 1.00 1.47 O ATOM 1585 CB GLU A 124 -1.885 15.439 -6.476 1.00 0.93 C ATOM 1586 CG GLU A 124 -0.648 15.104 -7.300 1.00 1.70 C ATOM 1587 CD GLU A 124 0.619 15.040 -6.469 1.00 2.39 C ATOM 1588 OE1 GLU A 124 1.054 16.099 -5.970 1.00 2.69 O ATOM 1589 OE2 GLU A 124 1.196 13.939 -6.323 1.00 3.01 O ATOM 1590 OXT GLU A 124 -3.780 17.975 -7.777 1.00 1.11 O ATOM 0 H GLU A 124 -2.805 13.794 -8.086 1.00 0.59 H new ATOM 0 HA GLU A 124 -4.001 15.797 -6.647 1.00 0.63 H new ATOM 0 HB2 GLU A 124 -1.672 16.313 -5.861 1.00 0.93 H new ATOM 0 HB3 GLU A 124 -2.089 14.613 -5.795 1.00 0.93 H new ATOM 0 HG2 GLU A 124 -0.798 14.146 -7.797 1.00 1.70 H new ATOM 0 HG3 GLU A 124 -0.525 15.853 -8.082 1.00 1.70 H new TER 1597 GLU A 124