USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 412 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 147 CYS SG : rot 83:sc= 0.415 USER MOD Set 1.2: A 156 CYS SG : rot 118:sc= -0.0369! USER MOD Set 1.3: A 162 CYS SG : rot -140:sc= -0.82! USER MOD Set 1.4: A 166 HIS : no HD1:sc= 1.16 K(o=0.71,f=-17!) USER MOD Set 2.1: A 104 CYS SG : rot 124:sc= 2.27 USER MOD Set 2.2: A 113 CYS SG : rot 147:sc= -0.989! USER MOD Set 2.3: A 119 CYS SG : rot 166:sc= -3.28! USER MOD Set 2.4: A 123 HIS : no HE2:sc= -0.568 K(o=-2.6,f=-18!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.00193 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -146:sc= -1.33 (180deg=-2.73!) USER MOD Single : A 110 SER OG : rot -32:sc= 0.345 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.039) USER MOD Single : A 126 HIS : no HD1:sc= 0.0736 K(o=0.074,f=-2.5!) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 78:sc= 0.942 USER MOD Single : A 152 MET CE :methyl -174:sc= -0.363 (180deg=-0.595) USER MOD Single : A 153 THR OG1 : rot -41:sc= 1.2 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 142:sc= -0.665 (180deg=-2.53!) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 1.306 8.945 9.578 1.00 0.33 N ATOM 37 CA PHE A 99 -0.012 8.506 9.102 1.00 61.12 C ATOM 38 C PHE A 99 -0.385 9.305 7.835 1.00 3.51 C ATOM 39 O PHE A 99 -0.849 10.450 7.924 1.00 54.31 O ATOM 40 CB PHE A 99 -1.090 8.650 10.222 1.00 55.13 C ATOM 41 CG PHE A 99 -2.222 7.623 10.113 1.00 74.24 C ATOM 42 CD1 PHE A 99 -2.058 6.333 10.625 1.00 52.42 C ATOM 43 CD2 PHE A 99 -3.432 7.929 9.490 1.00 14.13 C ATOM 44 CE1 PHE A 99 -3.065 5.392 10.520 1.00 3.45 C ATOM 45 CE2 PHE A 99 -4.438 6.985 9.388 1.00 24.42 C ATOM 46 CZ PHE A 99 -4.254 5.716 9.902 1.00 75.02 C ATOM 0 HA PHE A 99 0.028 7.448 8.845 1.00 61.12 H new ATOM 0 HB2 PHE A 99 -0.609 8.547 11.195 1.00 55.13 H new ATOM 0 HB3 PHE A 99 -1.514 9.653 10.181 1.00 55.13 H new ATOM 0 HD1 PHE A 99 -1.130 6.067 11.110 1.00 52.42 H new ATOM 0 HD2 PHE A 99 -3.586 8.917 9.082 1.00 14.13 H new ATOM 0 HE1 PHE A 99 -2.920 4.401 10.923 1.00 3.45 H new ATOM 0 HE2 PHE A 99 -5.370 7.241 8.905 1.00 24.42 H new ATOM 0 HZ PHE A 99 -5.040 4.980 9.820 1.00 75.02 H new ATOM 56 N LYS A 100 -0.080 8.700 6.667 1.00 1.32 N ATOM 57 CA LYS A 100 -0.429 9.205 5.319 1.00 21.21 C ATOM 58 C LYS A 100 0.349 10.473 4.916 1.00 1.35 C ATOM 59 O LYS A 100 0.061 11.058 3.877 1.00 64.21 O ATOM 60 CB LYS A 100 -1.971 9.398 5.159 1.00 63.23 C ATOM 61 CG LYS A 100 -2.781 8.080 5.213 1.00 12.21 C ATOM 62 CD LYS A 100 -4.306 8.289 5.094 1.00 51.24 C ATOM 63 CE LYS A 100 -4.882 9.111 6.259 1.00 12.11 C ATOM 64 NZ LYS A 100 -6.370 9.137 6.238 1.00 4.33 N ATOM 0 H LYS A 100 0.432 7.819 6.634 1.00 1.32 H new ATOM 0 HA LYS A 100 -0.113 8.430 4.620 1.00 21.21 H new ATOM 0 HB2 LYS A 100 -2.327 10.063 5.946 1.00 63.23 H new ATOM 0 HB3 LYS A 100 -2.168 9.894 4.209 1.00 63.23 H new ATOM 0 HG2 LYS A 100 -2.448 7.425 4.408 1.00 12.21 H new ATOM 0 HG3 LYS A 100 -2.565 7.568 6.151 1.00 12.21 H new ATOM 0 HD2 LYS A 100 -4.528 8.793 4.154 1.00 51.24 H new ATOM 0 HD3 LYS A 100 -4.801 7.318 5.059 1.00 51.24 H new ATOM 0 HE2 LYS A 100 -4.540 8.690 7.204 1.00 12.11 H new ATOM 0 HE3 LYS A 100 -4.500 10.131 6.207 1.00 12.11 H new ATOM 0 HZ1 LYS A 100 -6.719 9.701 7.039 1.00 4.33 H new ATOM 0 HZ2 LYS A 100 -6.697 9.562 5.347 1.00 4.33 H new ATOM 0 HZ3 LYS A 100 -6.735 8.166 6.313 1.00 4.33 H new ATOM 78 N THR A 101 1.360 10.866 5.712 1.00 74.54 N ATOM 79 CA THR A 101 2.262 11.987 5.372 1.00 53.45 C ATOM 80 C THR A 101 3.250 11.587 4.250 1.00 43.21 C ATOM 81 O THR A 101 3.865 12.450 3.617 1.00 52.33 O ATOM 82 CB THR A 101 3.038 12.477 6.639 1.00 61.34 C ATOM 83 OG1 THR A 101 3.654 11.354 7.295 1.00 14.21 O ATOM 84 CG2 THR A 101 2.121 13.210 7.633 1.00 21.25 C ATOM 0 H THR A 101 1.576 10.420 6.604 1.00 74.54 H new ATOM 0 HA THR A 101 1.649 12.810 5.004 1.00 53.45 H new ATOM 0 HB THR A 101 3.798 13.183 6.305 1.00 61.34 H new ATOM 0 HG1 THR A 101 4.141 11.664 8.087 1.00 14.21 H new ATOM 0 HG21 THR A 101 2.704 13.532 8.496 1.00 21.25 H new ATOM 0 HG22 THR A 101 1.681 14.081 7.148 1.00 21.25 H new ATOM 0 HG23 THR A 101 1.328 12.538 7.960 1.00 21.25 H new ATOM 92 N ALA A 102 3.378 10.269 4.015 1.00 43.31 N ATOM 93 CA ALA A 102 4.201 9.691 2.938 1.00 34.43 C ATOM 94 C ALA A 102 3.398 8.584 2.235 1.00 11.40 C ATOM 95 O ALA A 102 2.434 8.060 2.808 1.00 71.42 O ATOM 96 CB ALA A 102 5.525 9.147 3.506 1.00 71.22 C ATOM 0 H ALA A 102 2.904 9.563 4.578 1.00 43.31 H new ATOM 0 HA ALA A 102 4.451 10.463 2.210 1.00 34.43 H new ATOM 0 HB1 ALA A 102 6.121 8.724 2.698 1.00 71.22 H new ATOM 0 HB2 ALA A 102 6.079 9.958 3.979 1.00 71.22 H new ATOM 0 HB3 ALA A 102 5.314 8.374 4.244 1.00 71.22 H new ATOM 102 N LEU A 103 3.773 8.263 0.984 1.00 55.30 N ATOM 103 CA LEU A 103 3.137 7.179 0.207 1.00 3.21 C ATOM 104 C LEU A 103 3.626 5.799 0.680 1.00 34.54 C ATOM 105 O LEU A 103 4.740 5.662 1.196 1.00 5.24 O ATOM 106 CB LEU A 103 3.414 7.356 -1.317 1.00 74.35 C ATOM 107 CG LEU A 103 2.651 8.525 -2.024 1.00 52.31 C ATOM 108 CD1 LEU A 103 3.127 8.708 -3.481 1.00 54.14 C ATOM 109 CD2 LEU A 103 1.113 8.317 -1.962 1.00 53.13 C ATOM 0 H LEU A 103 4.521 8.743 0.484 1.00 55.30 H new ATOM 0 HA LEU A 103 2.062 7.237 0.375 1.00 3.21 H new ATOM 0 HB2 LEU A 103 4.484 7.511 -1.455 1.00 74.35 H new ATOM 0 HB3 LEU A 103 3.159 6.425 -1.823 1.00 74.35 H new ATOM 0 HG LEU A 103 2.884 9.441 -1.481 1.00 52.31 H new ATOM 0 HD11 LEU A 103 2.577 9.528 -3.943 1.00 54.14 H new ATOM 0 HD12 LEU A 103 4.193 8.936 -3.490 1.00 54.14 H new ATOM 0 HD13 LEU A 103 2.948 7.790 -4.040 1.00 54.14 H new ATOM 0 HD21 LEU A 103 0.613 9.147 -2.462 1.00 53.13 H new ATOM 0 HD22 LEU A 103 0.852 7.383 -2.459 1.00 53.13 H new ATOM 0 HD23 LEU A 103 0.793 8.275 -0.921 1.00 53.13 H new ATOM 121 N CYS A 104 2.760 4.796 0.509 1.00 33.33 N ATOM 122 CA CYS A 104 3.064 3.389 0.781 1.00 11.51 C ATOM 123 C CYS A 104 3.908 2.831 -0.371 1.00 31.11 C ATOM 124 O CYS A 104 3.485 2.892 -1.531 1.00 21.31 O ATOM 125 CB CYS A 104 1.731 2.623 0.932 1.00 54.01 C ATOM 126 SG CYS A 104 1.836 0.807 1.056 1.00 31.21 S ATOM 0 H CYS A 104 1.809 4.943 0.171 1.00 33.33 H new ATOM 0 HA CYS A 104 3.635 3.278 1.703 1.00 11.51 H new ATOM 0 HB2 CYS A 104 1.224 2.996 1.822 1.00 54.01 H new ATOM 0 HB3 CYS A 104 1.099 2.869 0.079 1.00 54.01 H new ATOM 0 HG CYS A 104 1.250 0.412 2.147 1.00 31.21 H new ATOM 131 N ASP A 105 5.111 2.319 -0.049 1.00 3.32 N ATOM 132 CA ASP A 105 6.062 1.818 -1.057 1.00 54.23 C ATOM 133 C ASP A 105 5.497 0.582 -1.774 1.00 10.31 C ATOM 134 O ASP A 105 5.571 0.486 -3.000 1.00 21.22 O ATOM 135 CB ASP A 105 7.432 1.496 -0.411 1.00 33.24 C ATOM 136 CG ASP A 105 8.500 1.080 -1.447 1.00 34.13 C ATOM 137 OD1 ASP A 105 8.791 -0.127 -1.585 1.00 25.42 O ATOM 138 OD2 ASP A 105 9.030 1.969 -2.153 1.00 24.32 O ATOM 0 H ASP A 105 5.448 2.242 0.910 1.00 3.32 H new ATOM 0 HA ASP A 105 6.212 2.603 -1.798 1.00 54.23 H new ATOM 0 HB2 ASP A 105 7.785 2.370 0.136 1.00 33.24 H new ATOM 0 HB3 ASP A 105 7.306 0.694 0.316 1.00 33.24 H new ATOM 143 N ALA A 106 4.889 -0.322 -0.982 1.00 4.20 N ATOM 144 CA ALA A 106 4.245 -1.563 -1.472 1.00 42.44 C ATOM 145 C ALA A 106 3.155 -1.273 -2.523 1.00 21.32 C ATOM 146 O ALA A 106 2.943 -2.065 -3.448 1.00 34.43 O ATOM 147 CB ALA A 106 3.653 -2.340 -0.284 1.00 22.41 C ATOM 0 H ALA A 106 4.829 -0.212 0.030 1.00 4.20 H new ATOM 0 HA ALA A 106 5.008 -2.168 -1.962 1.00 42.44 H new ATOM 0 HB1 ALA A 106 3.180 -3.253 -0.646 1.00 22.41 H new ATOM 0 HB2 ALA A 106 4.448 -2.597 0.416 1.00 22.41 H new ATOM 0 HB3 ALA A 106 2.911 -1.722 0.221 1.00 22.41 H new ATOM 153 N TYR A 107 2.486 -0.114 -2.368 1.00 61.41 N ATOM 154 CA TYR A 107 1.472 0.374 -3.317 1.00 71.02 C ATOM 155 C TYR A 107 2.128 0.762 -4.659 1.00 23.33 C ATOM 156 O TYR A 107 1.588 0.475 -5.727 1.00 10.01 O ATOM 157 CB TYR A 107 0.722 1.585 -2.698 1.00 43.44 C ATOM 158 CG TYR A 107 -0.336 2.234 -3.608 1.00 44.43 C ATOM 159 CD1 TYR A 107 -1.594 1.654 -3.769 1.00 51.52 C ATOM 160 CD2 TYR A 107 -0.073 3.421 -4.309 1.00 2.53 C ATOM 161 CE1 TYR A 107 -2.547 2.223 -4.588 1.00 25.32 C ATOM 162 CE2 TYR A 107 -1.028 3.991 -5.128 1.00 3.15 C ATOM 163 CZ TYR A 107 -2.260 3.389 -5.266 1.00 40.33 C ATOM 164 OH TYR A 107 -3.213 3.959 -6.082 1.00 50.22 O ATOM 0 H TYR A 107 2.636 0.511 -1.576 1.00 61.41 H new ATOM 0 HA TYR A 107 0.754 -0.422 -3.515 1.00 71.02 H new ATOM 0 HB2 TYR A 107 0.237 1.260 -1.778 1.00 43.44 H new ATOM 0 HB3 TYR A 107 1.455 2.343 -2.421 1.00 43.44 H new ATOM 0 HD1 TYR A 107 -1.827 0.741 -3.242 1.00 51.52 H new ATOM 0 HD2 TYR A 107 0.891 3.896 -4.206 1.00 2.53 H new ATOM 0 HE1 TYR A 107 -3.515 1.757 -4.698 1.00 25.32 H new ATOM 0 HE2 TYR A 107 -0.810 4.906 -5.659 1.00 3.15 H new ATOM 0 HH TYR A 107 -2.852 4.776 -6.485 1.00 50.22 H new ATOM 174 N LYS A 108 3.305 1.411 -4.584 1.00 4.53 N ATOM 175 CA LYS A 108 4.017 1.911 -5.781 1.00 34.42 C ATOM 176 C LYS A 108 4.657 0.757 -6.581 1.00 24.25 C ATOM 177 O LYS A 108 4.907 0.897 -7.781 1.00 52.20 O ATOM 178 CB LYS A 108 5.109 2.949 -5.397 1.00 74.22 C ATOM 179 CG LYS A 108 4.657 4.063 -4.418 1.00 23.44 C ATOM 180 CD LYS A 108 5.610 5.289 -4.394 1.00 41.04 C ATOM 181 CE LYS A 108 7.108 4.930 -4.295 1.00 63.11 C ATOM 182 NZ LYS A 108 7.437 4.160 -3.071 1.00 64.14 N ATOM 0 H LYS A 108 3.786 1.603 -3.705 1.00 4.53 H new ATOM 0 HA LYS A 108 3.273 2.400 -6.410 1.00 34.42 H new ATOM 0 HB2 LYS A 108 5.950 2.418 -4.952 1.00 74.22 H new ATOM 0 HB3 LYS A 108 5.476 3.419 -6.310 1.00 74.22 H new ATOM 0 HG2 LYS A 108 3.657 4.396 -4.695 1.00 23.44 H new ATOM 0 HG3 LYS A 108 4.588 3.647 -3.413 1.00 23.44 H new ATOM 0 HD2 LYS A 108 5.449 5.877 -5.298 1.00 41.04 H new ATOM 0 HD3 LYS A 108 5.344 5.924 -3.549 1.00 41.04 H new ATOM 0 HE2 LYS A 108 7.396 4.350 -5.172 1.00 63.11 H new ATOM 0 HE3 LYS A 108 7.698 5.846 -4.311 1.00 63.11 H new ATOM 0 HZ1 LYS A 108 8.388 4.421 -2.742 1.00 64.14 H new ATOM 0 HZ2 LYS A 108 6.742 4.376 -2.328 1.00 64.14 H new ATOM 0 HZ3 LYS A 108 7.411 3.142 -3.284 1.00 64.14 H new ATOM 196 N ARG A 109 4.936 -0.374 -5.899 1.00 42.15 N ATOM 197 CA ARG A 109 5.610 -1.540 -6.511 1.00 23.45 C ATOM 198 C ARG A 109 4.582 -2.517 -7.119 1.00 34.22 C ATOM 199 O ARG A 109 4.739 -2.969 -8.260 1.00 61.44 O ATOM 200 CB ARG A 109 6.484 -2.291 -5.456 1.00 33.24 C ATOM 201 CG ARG A 109 7.482 -1.407 -4.668 1.00 4.23 C ATOM 202 CD ARG A 109 8.427 -0.587 -5.563 1.00 55.50 C ATOM 203 NE ARG A 109 9.300 0.296 -4.768 1.00 41.33 N ATOM 204 CZ ARG A 109 10.191 1.166 -5.267 1.00 15.22 C ATOM 205 NH1 ARG A 109 10.360 1.297 -6.580 1.00 24.20 N ATOM 206 NH2 ARG A 109 10.898 1.914 -4.440 1.00 31.44 N ATOM 0 H ARG A 109 4.702 -0.505 -4.915 1.00 42.15 H new ATOM 0 HA ARG A 109 6.254 -1.167 -7.307 1.00 23.45 H new ATOM 0 HB2 ARG A 109 5.821 -2.783 -4.744 1.00 33.24 H new ATOM 0 HB3 ARG A 109 7.044 -3.075 -5.965 1.00 33.24 H new ATOM 0 HG2 ARG A 109 6.922 -0.726 -4.027 1.00 4.23 H new ATOM 0 HG3 ARG A 109 8.078 -2.043 -4.013 1.00 4.23 H new ATOM 0 HD2 ARG A 109 9.039 -1.262 -6.161 1.00 55.50 H new ATOM 0 HD3 ARG A 109 7.840 0.012 -6.259 1.00 55.50 H new ATOM 0 HE ARG A 109 9.220 0.241 -3.753 1.00 41.33 H new ATOM 0 HH11 ARG A 109 9.808 0.731 -7.224 1.00 24.20 H new ATOM 0 HH12 ARG A 109 11.042 1.963 -6.942 1.00 24.20 H new ATOM 0 HH21 ARG A 109 10.764 1.827 -3.433 1.00 31.44 H new ATOM 0 HH22 ARG A 109 11.578 2.579 -4.809 1.00 31.44 H new ATOM 220 N SER A 110 3.522 -2.823 -6.343 1.00 65.54 N ATOM 221 CA SER A 110 2.578 -3.922 -6.650 1.00 75.22 C ATOM 222 C SER A 110 1.205 -3.415 -7.141 1.00 61.34 C ATOM 223 O SER A 110 0.386 -4.233 -7.576 1.00 61.04 O ATOM 224 CB SER A 110 2.402 -4.802 -5.383 1.00 11.44 C ATOM 225 OG SER A 110 1.596 -5.947 -5.628 1.00 74.52 O ATOM 0 H SER A 110 3.295 -2.317 -5.487 1.00 65.54 H new ATOM 0 HA SER A 110 3.001 -4.506 -7.467 1.00 75.22 H new ATOM 0 HB2 SER A 110 3.381 -5.120 -5.025 1.00 11.44 H new ATOM 0 HB3 SER A 110 1.951 -4.206 -4.590 1.00 11.44 H new ATOM 0 HG SER A 110 0.919 -5.732 -6.303 1.00 74.52 H new ATOM 231 N GLN A 111 0.973 -2.077 -7.081 1.00 11.31 N ATOM 232 CA GLN A 111 -0.346 -1.433 -7.344 1.00 43.32 C ATOM 233 C GLN A 111 -1.347 -1.810 -6.231 1.00 4.43 C ATOM 234 O GLN A 111 -1.694 -0.978 -5.389 1.00 31.55 O ATOM 235 CB GLN A 111 -0.921 -1.748 -8.763 1.00 41.40 C ATOM 236 CG GLN A 111 -0.050 -1.252 -9.930 1.00 73.33 C ATOM 237 CD GLN A 111 -0.632 -1.585 -11.307 1.00 44.01 C ATOM 238 OE1 GLN A 111 -1.390 -0.801 -11.882 1.00 42.31 O ATOM 239 NE2 GLN A 111 -0.298 -2.753 -11.839 1.00 33.44 N ATOM 0 H GLN A 111 1.704 -1.406 -6.846 1.00 11.31 H new ATOM 0 HA GLN A 111 -0.184 -0.355 -7.331 1.00 43.32 H new ATOM 0 HB2 GLN A 111 -1.052 -2.826 -8.857 1.00 41.40 H new ATOM 0 HB3 GLN A 111 -1.910 -1.298 -8.848 1.00 41.40 H new ATOM 0 HG2 GLN A 111 0.074 -0.172 -9.848 1.00 73.33 H new ATOM 0 HG3 GLN A 111 0.943 -1.694 -9.847 1.00 73.33 H new ATOM 0 HE21 GLN A 111 0.332 -3.380 -11.338 1.00 33.44 H new ATOM 0 HE22 GLN A 111 -0.671 -3.024 -12.749 1.00 33.44 H new ATOM 248 N ALA A 112 -1.797 -3.078 -6.232 1.00 1.45 N ATOM 249 CA ALA A 112 -2.622 -3.639 -5.157 1.00 32.23 C ATOM 250 C ALA A 112 -1.731 -3.941 -3.933 1.00 74.30 C ATOM 251 O ALA A 112 -0.970 -4.916 -3.940 1.00 63.13 O ATOM 252 CB ALA A 112 -3.357 -4.902 -5.652 1.00 1.32 C ATOM 0 H ALA A 112 -1.596 -3.740 -6.981 1.00 1.45 H new ATOM 0 HA ALA A 112 -3.381 -2.916 -4.858 1.00 32.23 H new ATOM 0 HB1 ALA A 112 -3.966 -5.309 -4.844 1.00 1.32 H new ATOM 0 HB2 ALA A 112 -3.998 -4.643 -6.495 1.00 1.32 H new ATOM 0 HB3 ALA A 112 -2.627 -5.648 -5.967 1.00 1.32 H new ATOM 258 N CYS A 113 -1.782 -3.050 -2.925 1.00 61.04 N ATOM 259 CA CYS A 113 -1.044 -3.210 -1.659 1.00 44.14 C ATOM 260 C CYS A 113 -1.816 -4.170 -0.729 1.00 22.02 C ATOM 261 O CYS A 113 -2.994 -3.932 -0.432 1.00 62.32 O ATOM 262 CB CYS A 113 -0.855 -1.824 -1.002 1.00 73.44 C ATOM 263 SG CYS A 113 -0.013 -1.819 0.616 1.00 21.43 S ATOM 0 H CYS A 113 -2.338 -2.196 -2.967 1.00 61.04 H new ATOM 0 HA CYS A 113 -0.060 -3.639 -1.848 1.00 44.14 H new ATOM 0 HB2 CYS A 113 -0.289 -1.193 -1.687 1.00 73.44 H new ATOM 0 HB3 CYS A 113 -1.836 -1.364 -0.881 1.00 73.44 H new ATOM 0 HG CYS A 113 0.693 -0.734 0.735 1.00 21.43 H new ATOM 268 N SER A 114 -1.125 -5.228 -0.258 1.00 3.12 N ATOM 269 CA SER A 114 -1.729 -6.345 0.506 1.00 33.33 C ATOM 270 C SER A 114 -2.294 -5.883 1.865 1.00 1.03 C ATOM 271 O SER A 114 -3.287 -6.446 2.349 1.00 32.15 O ATOM 272 CB SER A 114 -0.682 -7.472 0.705 1.00 64.40 C ATOM 273 OG SER A 114 -1.229 -8.602 1.375 1.00 0.03 O ATOM 0 H SER A 114 -0.120 -5.334 -0.398 1.00 3.12 H new ATOM 0 HA SER A 114 -2.569 -6.728 -0.073 1.00 33.33 H new ATOM 0 HB2 SER A 114 -0.294 -7.780 -0.266 1.00 64.40 H new ATOM 0 HB3 SER A 114 0.161 -7.085 1.277 1.00 64.40 H new ATOM 0 HG SER A 114 -0.537 -9.288 1.478 1.00 0.03 H new ATOM 279 N TYR A 115 -1.652 -4.862 2.471 1.00 64.14 N ATOM 280 CA TYR A 115 -2.094 -4.286 3.758 1.00 50.24 C ATOM 281 C TYR A 115 -3.493 -3.647 3.634 1.00 21.40 C ATOM 282 O TYR A 115 -4.351 -3.845 4.501 1.00 75.44 O ATOM 283 CB TYR A 115 -1.094 -3.216 4.262 1.00 43.44 C ATOM 284 CG TYR A 115 0.320 -3.723 4.576 1.00 51.55 C ATOM 285 CD1 TYR A 115 1.418 -3.342 3.795 1.00 44.00 C ATOM 286 CD2 TYR A 115 0.560 -4.568 5.666 1.00 60.52 C ATOM 287 CE1 TYR A 115 2.693 -3.780 4.089 1.00 21.54 C ATOM 288 CE2 TYR A 115 1.837 -5.011 5.958 1.00 32.45 C ATOM 289 CZ TYR A 115 2.899 -4.612 5.169 1.00 24.31 C ATOM 290 OH TYR A 115 4.177 -5.040 5.464 1.00 71.02 O ATOM 0 H TYR A 115 -0.819 -4.417 2.085 1.00 64.14 H new ATOM 0 HA TYR A 115 -2.138 -5.106 4.475 1.00 50.24 H new ATOM 0 HB2 TYR A 115 -1.020 -2.431 3.509 1.00 43.44 H new ATOM 0 HB3 TYR A 115 -1.504 -2.757 5.162 1.00 43.44 H new ATOM 0 HD1 TYR A 115 1.264 -2.693 2.946 1.00 44.00 H new ATOM 0 HD2 TYR A 115 -0.266 -4.879 6.289 1.00 60.52 H new ATOM 0 HE1 TYR A 115 3.527 -3.472 3.475 1.00 21.54 H new ATOM 0 HE2 TYR A 115 2.004 -5.667 6.800 1.00 32.45 H new ATOM 0 HH TYR A 115 4.154 -5.619 6.254 1.00 71.02 H new ATOM 300 N GLY A 116 -3.699 -2.890 2.540 1.00 61.31 N ATOM 301 CA GLY A 116 -4.911 -2.089 2.359 1.00 73.25 C ATOM 302 C GLY A 116 -5.018 -0.989 3.411 1.00 20.13 C ATOM 303 O GLY A 116 -4.178 -0.084 3.451 1.00 4.54 O ATOM 0 H GLY A 116 -3.035 -2.820 1.769 1.00 61.31 H new ATOM 0 HA2 GLY A 116 -4.908 -1.643 1.364 1.00 73.25 H new ATOM 0 HA3 GLY A 116 -5.787 -2.735 2.416 1.00 73.25 H new ATOM 307 N ASP A 117 -6.005 -1.108 4.312 1.00 40.24 N ATOM 308 CA ASP A 117 -6.235 -0.127 5.396 1.00 34.05 C ATOM 309 C ASP A 117 -5.277 -0.354 6.584 1.00 33.22 C ATOM 310 O ASP A 117 -5.242 0.458 7.515 1.00 75.51 O ATOM 311 CB ASP A 117 -7.705 -0.186 5.876 1.00 71.41 C ATOM 312 CG ASP A 117 -8.707 0.156 4.762 1.00 32.22 C ATOM 313 OD1 ASP A 117 -8.940 1.358 4.500 1.00 74.30 O ATOM 314 OD2 ASP A 117 -9.258 -0.776 4.137 1.00 15.52 O ATOM 0 H ASP A 117 -6.668 -1.883 4.314 1.00 40.24 H new ATOM 0 HA ASP A 117 -6.032 0.864 4.990 1.00 34.05 H new ATOM 0 HB2 ASP A 117 -7.919 -1.185 6.257 1.00 71.41 H new ATOM 0 HB3 ASP A 117 -7.840 0.508 6.706 1.00 71.41 H new ATOM 319 N GLN A 118 -4.516 -1.470 6.552 1.00 22.11 N ATOM 320 CA GLN A 118 -3.471 -1.770 7.557 1.00 71.25 C ATOM 321 C GLN A 118 -2.195 -0.930 7.314 1.00 71.32 C ATOM 322 O GLN A 118 -1.302 -0.904 8.166 1.00 21.23 O ATOM 323 CB GLN A 118 -3.138 -3.290 7.566 1.00 61.25 C ATOM 324 CG GLN A 118 -4.330 -4.202 7.929 1.00 33.33 C ATOM 325 CD GLN A 118 -4.922 -3.957 9.329 1.00 71.30 C ATOM 326 OE1 GLN A 118 -6.127 -4.110 9.537 1.00 71.04 O ATOM 327 NE2 GLN A 118 -4.088 -3.620 10.310 1.00 24.22 N ATOM 0 H GLN A 118 -4.608 -2.186 5.832 1.00 22.11 H new ATOM 0 HA GLN A 118 -3.864 -1.497 8.536 1.00 71.25 H new ATOM 0 HB2 GLN A 118 -2.766 -3.574 6.582 1.00 61.25 H new ATOM 0 HB3 GLN A 118 -2.330 -3.468 8.276 1.00 61.25 H new ATOM 0 HG2 GLN A 118 -5.116 -4.063 7.187 1.00 33.33 H new ATOM 0 HG3 GLN A 118 -4.009 -5.241 7.862 1.00 33.33 H new ATOM 0 HE21 GLN A 118 -3.094 -3.499 10.115 1.00 24.22 H new ATOM 0 HE22 GLN A 118 -4.443 -3.483 11.256 1.00 24.22 H new ATOM 336 N CYS A 119 -2.109 -0.267 6.140 1.00 60.23 N ATOM 337 CA CYS A 119 -1.082 0.739 5.866 1.00 32.22 C ATOM 338 C CYS A 119 -1.376 2.029 6.656 1.00 70.12 C ATOM 339 O CYS A 119 -2.517 2.509 6.658 1.00 35.33 O ATOM 340 CB CYS A 119 -1.031 1.056 4.351 1.00 60.12 C ATOM 341 SG CYS A 119 -0.288 -0.243 3.318 1.00 64.33 S ATOM 0 H CYS A 119 -2.752 -0.420 5.363 1.00 60.23 H new ATOM 0 HA CYS A 119 -0.117 0.341 6.179 1.00 32.22 H new ATOM 0 HB2 CYS A 119 -2.046 1.242 4.000 1.00 60.12 H new ATOM 0 HB3 CYS A 119 -0.470 1.979 4.207 1.00 60.12 H new ATOM 0 HG CYS A 119 -0.561 -0.012 2.068 1.00 64.33 H new ATOM 346 N ARG A 120 -0.353 2.560 7.348 1.00 1.24 N ATOM 347 CA ARG A 120 -0.416 3.907 7.950 1.00 0.45 C ATOM 348 C ARG A 120 -0.206 4.962 6.853 1.00 32.25 C ATOM 349 O ARG A 120 -0.778 6.048 6.914 1.00 1.54 O ATOM 350 CB ARG A 120 0.637 4.071 9.084 1.00 75.42 C ATOM 351 CG ARG A 120 2.110 3.882 8.646 1.00 34.01 C ATOM 352 CD ARG A 120 3.111 4.100 9.792 1.00 23.33 C ATOM 353 NE ARG A 120 4.495 3.803 9.380 1.00 71.05 N ATOM 354 CZ ARG A 120 5.603 4.105 10.081 1.00 21.43 C ATOM 355 NH1 ARG A 120 5.528 4.723 11.256 1.00 54.20 N ATOM 356 NH2 ARG A 120 6.789 3.784 9.592 1.00 4.24 N ATOM 0 H ARG A 120 0.531 2.076 7.506 1.00 1.24 H new ATOM 0 HA ARG A 120 -1.399 4.045 8.401 1.00 0.45 H new ATOM 0 HB2 ARG A 120 0.528 5.065 9.518 1.00 75.42 H new ATOM 0 HB3 ARG A 120 0.414 3.352 9.872 1.00 75.42 H new ATOM 0 HG2 ARG A 120 2.238 2.876 8.246 1.00 34.01 H new ATOM 0 HG3 ARG A 120 2.335 4.578 7.838 1.00 34.01 H new ATOM 0 HD2 ARG A 120 3.049 5.132 10.136 1.00 23.33 H new ATOM 0 HD3 ARG A 120 2.840 3.466 10.636 1.00 23.33 H new ATOM 0 HE ARG A 120 4.624 3.328 8.487 1.00 71.05 H new ATOM 0 HH11 ARG A 120 4.618 4.977 11.642 1.00 54.20 H new ATOM 0 HH12 ARG A 120 6.380 4.943 11.772 1.00 54.20 H new ATOM 0 HH21 ARG A 120 6.858 3.312 8.691 1.00 4.24 H new ATOM 0 HH22 ARG A 120 7.635 4.009 10.116 1.00 4.24 H new ATOM 370 N PHE A 121 0.597 4.595 5.832 1.00 40.41 N ATOM 371 CA PHE A 121 0.938 5.468 4.700 1.00 2.13 C ATOM 372 C PHE A 121 -0.196 5.509 3.655 1.00 65.11 C ATOM 373 O PHE A 121 -1.039 4.603 3.591 1.00 40.11 O ATOM 374 CB PHE A 121 2.264 5.001 4.045 1.00 3.01 C ATOM 375 CG PHE A 121 3.494 5.114 4.948 1.00 71.41 C ATOM 376 CD1 PHE A 121 4.293 4.006 5.234 1.00 13.43 C ATOM 377 CD2 PHE A 121 3.854 6.344 5.506 1.00 72.40 C ATOM 378 CE1 PHE A 121 5.408 4.124 6.044 1.00 22.34 C ATOM 379 CE2 PHE A 121 4.968 6.458 6.317 1.00 30.14 C ATOM 380 CZ PHE A 121 5.745 5.350 6.586 1.00 1.24 C ATOM 0 H PHE A 121 1.029 3.673 5.774 1.00 40.41 H new ATOM 0 HA PHE A 121 1.069 6.480 5.084 1.00 2.13 H new ATOM 0 HB2 PHE A 121 2.153 3.963 3.732 1.00 3.01 H new ATOM 0 HB3 PHE A 121 2.436 5.589 3.144 1.00 3.01 H new ATOM 0 HD1 PHE A 121 4.037 3.043 4.817 1.00 13.43 H new ATOM 0 HD2 PHE A 121 3.253 7.218 5.301 1.00 72.40 H new ATOM 0 HE1 PHE A 121 6.016 3.257 6.253 1.00 22.34 H new ATOM 0 HE2 PHE A 121 5.230 7.416 6.741 1.00 30.14 H new ATOM 0 HZ PHE A 121 6.615 5.441 7.219 1.00 1.24 H new ATOM 390 N ALA A 122 -0.172 6.569 2.833 1.00 31.42 N ATOM 391 CA ALA A 122 -1.219 6.886 1.848 1.00 20.14 C ATOM 392 C ALA A 122 -1.137 5.979 0.604 1.00 53.11 C ATOM 393 O ALA A 122 -0.046 5.644 0.135 1.00 12.32 O ATOM 394 CB ALA A 122 -1.096 8.367 1.440 1.00 1.13 C ATOM 0 H ALA A 122 0.592 7.245 2.834 1.00 31.42 H new ATOM 0 HA ALA A 122 -2.189 6.705 2.311 1.00 20.14 H new ATOM 0 HB1 ALA A 122 -1.869 8.609 0.710 1.00 1.13 H new ATOM 0 HB2 ALA A 122 -1.218 8.998 2.320 1.00 1.13 H new ATOM 0 HB3 ALA A 122 -0.114 8.543 1.000 1.00 1.13 H new ATOM 400 N HIS A 123 -2.311 5.597 0.081 1.00 72.34 N ATOM 401 CA HIS A 123 -2.453 4.882 -1.208 1.00 44.01 C ATOM 402 C HIS A 123 -2.977 5.851 -2.288 1.00 63.12 C ATOM 403 O HIS A 123 -3.631 5.437 -3.251 1.00 13.43 O ATOM 404 CB HIS A 123 -3.403 3.658 -1.021 1.00 64.23 C ATOM 405 CG HIS A 123 -2.826 2.528 -0.200 1.00 34.02 C ATOM 406 ND1 HIS A 123 -3.556 1.460 0.260 1.00 20.32 N ATOM 407 CD2 HIS A 123 -1.543 2.269 0.153 1.00 75.41 C ATOM 408 CE1 HIS A 123 -2.721 0.608 0.853 1.00 51.41 C ATOM 409 NE2 HIS A 123 -1.473 1.047 0.818 1.00 42.30 N ATOM 0 H HIS A 123 -3.203 5.775 0.542 1.00 72.34 H new ATOM 0 HA HIS A 123 -1.483 4.510 -1.538 1.00 44.01 H new ATOM 0 HB2 HIS A 123 -4.324 3.999 -0.547 1.00 64.23 H new ATOM 0 HB3 HIS A 123 -3.674 3.273 -2.004 1.00 64.23 H new ATOM 0 HD1 HIS A 123 -4.564 1.340 0.164 1.00 20.32 H new ATOM 0 HD2 HIS A 123 -0.701 2.914 -0.051 1.00 75.41 H new ATOM 0 HE1 HIS A 123 -3.025 -0.324 1.306 1.00 51.41 H new ATOM 417 N GLY A 124 -2.638 7.143 -2.123 1.00 64.42 N ATOM 418 CA GLY A 124 -3.040 8.198 -3.044 1.00 44.11 C ATOM 419 C GLY A 124 -2.421 9.535 -2.667 1.00 24.14 C ATOM 420 O GLY A 124 -2.181 9.800 -1.479 1.00 61.42 O ATOM 0 H GLY A 124 -2.075 7.476 -1.340 1.00 64.42 H new ATOM 0 HA2 GLY A 124 -2.741 7.931 -4.058 1.00 44.11 H new ATOM 0 HA3 GLY A 124 -4.126 8.287 -3.045 1.00 44.11 H new ATOM 424 N VAL A 125 -2.160 10.377 -3.683 1.00 25.51 N ATOM 425 CA VAL A 125 -1.587 11.727 -3.501 1.00 54.34 C ATOM 426 C VAL A 125 -2.578 12.638 -2.762 1.00 64.03 C ATOM 427 O VAL A 125 -2.180 13.490 -1.964 1.00 30.31 O ATOM 428 CB VAL A 125 -1.189 12.373 -4.881 1.00 44.21 C ATOM 429 CG1 VAL A 125 -0.593 13.799 -4.719 1.00 21.50 C ATOM 430 CG2 VAL A 125 -0.218 11.453 -5.649 1.00 44.44 C ATOM 0 H VAL A 125 -2.341 10.141 -4.659 1.00 25.51 H new ATOM 0 HA VAL A 125 -0.683 11.623 -2.901 1.00 54.34 H new ATOM 0 HB VAL A 125 -2.105 12.480 -5.462 1.00 44.21 H new ATOM 0 HG11 VAL A 125 -0.335 14.199 -5.700 1.00 21.50 H new ATOM 0 HG12 VAL A 125 -1.328 14.449 -4.244 1.00 21.50 H new ATOM 0 HG13 VAL A 125 0.303 13.751 -4.100 1.00 21.50 H new ATOM 0 HG21 VAL A 125 0.046 11.916 -6.600 1.00 44.44 H new ATOM 0 HG22 VAL A 125 0.684 11.301 -5.057 1.00 44.44 H new ATOM 0 HG23 VAL A 125 -0.697 10.492 -5.834 1.00 44.44 H new ATOM 440 N HIS A 126 -3.877 12.424 -3.021 1.00 41.34 N ATOM 441 CA HIS A 126 -4.961 13.180 -2.371 1.00 33.13 C ATOM 442 C HIS A 126 -5.023 12.891 -0.846 1.00 30.44 C ATOM 443 O HIS A 126 -5.532 13.707 -0.074 1.00 63.14 O ATOM 444 CB HIS A 126 -6.323 12.869 -3.051 1.00 42.12 C ATOM 445 CG HIS A 126 -6.730 11.411 -3.005 1.00 21.40 C ATOM 446 ND1 HIS A 126 -6.008 10.448 -3.674 1.00 12.22 N ATOM 447 CD2 HIS A 126 -7.770 10.812 -2.363 1.00 53.04 C ATOM 448 CE1 HIS A 126 -6.616 9.300 -3.425 1.00 32.41 C ATOM 449 NE2 HIS A 126 -7.684 9.474 -2.639 1.00 10.53 N ATOM 0 H HIS A 126 -4.206 11.724 -3.685 1.00 41.34 H new ATOM 0 HA HIS A 126 -4.748 14.242 -2.492 1.00 33.13 H new ATOM 0 HB2 HIS A 126 -7.099 13.465 -2.571 1.00 42.12 H new ATOM 0 HB3 HIS A 126 -6.276 13.187 -4.092 1.00 42.12 H new ATOM 0 HD2 HIS A 126 -8.518 11.298 -1.754 1.00 53.04 H new ATOM 0 HE1 HIS A 126 -6.291 8.344 -3.808 1.00 32.41 H new ATOM 0 HE2 HIS A 126 -8.316 8.746 -2.307 1.00 10.53 H new ATOM 457 N GLU A 127 -4.492 11.718 -0.440 1.00 15.12 N ATOM 458 CA GLU A 127 -4.450 11.282 0.972 1.00 14.01 C ATOM 459 C GLU A 127 -3.179 11.789 1.692 1.00 35.13 C ATOM 460 O GLU A 127 -3.080 11.672 2.921 1.00 60.34 O ATOM 461 CB GLU A 127 -4.532 9.732 1.046 1.00 74.45 C ATOM 462 CG GLU A 127 -5.754 9.125 0.332 1.00 63.24 C ATOM 463 CD GLU A 127 -5.884 7.606 0.534 1.00 51.03 C ATOM 464 OE1 GLU A 127 -5.322 6.835 -0.265 1.00 70.12 O ATOM 465 OE2 GLU A 127 -6.536 7.182 1.514 1.00 70.20 O ATOM 0 H GLU A 127 -4.079 11.044 -1.085 1.00 15.12 H new ATOM 0 HA GLU A 127 -5.309 11.716 1.484 1.00 14.01 H new ATOM 0 HB2 GLU A 127 -3.626 9.311 0.610 1.00 74.45 H new ATOM 0 HB3 GLU A 127 -4.552 9.431 2.093 1.00 74.45 H new ATOM 0 HG2 GLU A 127 -6.658 9.612 0.697 1.00 63.24 H new ATOM 0 HG3 GLU A 127 -5.686 9.338 -0.735 1.00 63.24 H new ATOM 472 N LEU A 128 -2.212 12.343 0.923 1.00 12.34 N ATOM 473 CA LEU A 128 -0.946 12.869 1.474 1.00 43.41 C ATOM 474 C LEU A 128 -1.198 14.071 2.399 1.00 14.15 C ATOM 475 O LEU A 128 -1.666 15.124 1.955 1.00 34.31 O ATOM 476 CB LEU A 128 0.058 13.235 0.344 1.00 14.03 C ATOM 477 CG LEU A 128 0.709 12.026 -0.395 1.00 43.00 C ATOM 478 CD1 LEU A 128 1.654 12.492 -1.524 1.00 41.43 C ATOM 479 CD2 LEU A 128 1.444 11.107 0.605 1.00 23.43 C ATOM 0 H LEU A 128 -2.289 12.436 -0.090 1.00 12.34 H new ATOM 0 HA LEU A 128 -0.496 12.076 2.071 1.00 43.41 H new ATOM 0 HB2 LEU A 128 -0.459 13.852 -0.391 1.00 14.03 H new ATOM 0 HB3 LEU A 128 0.852 13.847 0.772 1.00 14.03 H new ATOM 0 HG LEU A 128 -0.091 11.451 -0.861 1.00 43.00 H new ATOM 0 HD11 LEU A 128 2.089 11.622 -2.016 1.00 41.43 H new ATOM 0 HD12 LEU A 128 1.091 13.077 -2.251 1.00 41.43 H new ATOM 0 HD13 LEU A 128 2.450 13.106 -1.102 1.00 41.43 H new ATOM 0 HD21 LEU A 128 1.891 10.270 0.069 1.00 23.43 H new ATOM 0 HD22 LEU A 128 2.226 11.672 1.112 1.00 23.43 H new ATOM 0 HD23 LEU A 128 0.734 10.729 1.341 1.00 23.43 H new ATOM 491 N ARG A 129 -0.896 13.876 3.690 1.00 55.13 N ATOM 492 CA ARG A 129 -1.094 14.876 4.743 1.00 5.01 C ATOM 493 C ARG A 129 0.186 15.702 4.933 1.00 25.10 C ATOM 494 O ARG A 129 1.294 15.156 4.891 1.00 64.55 O ATOM 495 CB ARG A 129 -1.477 14.168 6.077 1.00 34.44 C ATOM 496 CG ARG A 129 -2.719 13.251 5.997 1.00 73.52 C ATOM 497 CD ARG A 129 -3.983 13.978 5.507 1.00 62.34 C ATOM 498 NE ARG A 129 -5.169 13.100 5.539 1.00 45.32 N ATOM 499 CZ ARG A 129 -6.048 12.934 4.536 1.00 51.23 C ATOM 500 NH1 ARG A 129 -5.897 13.576 3.381 1.00 63.35 N ATOM 501 NH2 ARG A 129 -7.103 12.154 4.712 1.00 63.04 N ATOM 0 H ARG A 129 -0.500 13.002 4.036 1.00 55.13 H new ATOM 0 HA ARG A 129 -1.903 15.546 4.451 1.00 5.01 H new ATOM 0 HB2 ARG A 129 -0.627 13.574 6.413 1.00 34.44 H new ATOM 0 HB3 ARG A 129 -1.654 14.929 6.837 1.00 34.44 H new ATOM 0 HG2 ARG A 129 -2.505 12.419 5.327 1.00 73.52 H new ATOM 0 HG3 ARG A 129 -2.912 12.826 6.982 1.00 73.52 H new ATOM 0 HD2 ARG A 129 -4.163 14.854 6.130 1.00 62.34 H new ATOM 0 HD3 ARG A 129 -3.824 14.337 4.490 1.00 62.34 H new ATOM 0 HE ARG A 129 -5.336 12.574 6.397 1.00 45.32 H new ATOM 0 HH11 ARG A 129 -5.105 14.205 3.247 1.00 63.35 H new ATOM 0 HH12 ARG A 129 -6.573 13.439 2.629 1.00 63.35 H new ATOM 0 HH21 ARG A 129 -7.245 11.683 5.605 1.00 63.04 H new ATOM 0 HH22 ARG A 129 -7.773 12.024 3.954 1.00 63.04 H new ATOM 772 N VAL A 145 10.222 49.538 7.802 1.00 53.11 N ATOM 773 CA VAL A 145 11.048 50.771 7.797 1.00 34.40 C ATOM 774 C VAL A 145 10.219 51.931 7.199 1.00 32.44 C ATOM 775 O VAL A 145 9.356 51.682 6.352 1.00 24.43 O ATOM 776 CB VAL A 145 12.375 50.554 6.962 1.00 70.34 C ATOM 777 CG1 VAL A 145 13.292 51.806 6.983 1.00 25.13 C ATOM 778 CG2 VAL A 145 13.135 49.290 7.450 1.00 12.40 C ATOM 0 HA VAL A 145 11.334 51.015 8.820 1.00 34.40 H new ATOM 0 HB VAL A 145 12.082 50.396 5.924 1.00 70.34 H new ATOM 0 HG11 VAL A 145 14.190 51.609 6.397 1.00 25.13 H new ATOM 0 HG12 VAL A 145 12.758 52.655 6.556 1.00 25.13 H new ATOM 0 HG13 VAL A 145 13.573 52.034 8.011 1.00 25.13 H new ATOM 0 HG21 VAL A 145 14.043 49.162 6.861 1.00 12.40 H new ATOM 0 HG22 VAL A 145 13.398 49.407 8.501 1.00 12.40 H new ATOM 0 HG23 VAL A 145 12.498 48.414 7.330 1.00 12.40 H new ATOM 788 N LEU A 146 10.470 53.180 7.655 1.00 32.15 N ATOM 789 CA LEU A 146 9.802 54.390 7.117 1.00 33.12 C ATOM 790 C LEU A 146 10.218 54.643 5.652 1.00 23.10 C ATOM 791 O LEU A 146 11.301 54.217 5.217 1.00 55.04 O ATOM 792 CB LEU A 146 10.139 55.648 7.974 1.00 42.32 C ATOM 793 CG LEU A 146 9.728 55.600 9.481 1.00 40.01 C ATOM 794 CD1 LEU A 146 10.111 56.907 10.211 1.00 34.24 C ATOM 795 CD2 LEU A 146 8.229 55.288 9.652 1.00 41.30 C ATOM 0 H LEU A 146 11.137 53.378 8.401 1.00 32.15 H new ATOM 0 HA LEU A 146 8.727 54.212 7.159 1.00 33.12 H new ATOM 0 HB2 LEU A 146 11.214 55.819 7.920 1.00 42.32 H new ATOM 0 HB3 LEU A 146 9.655 56.511 7.517 1.00 42.32 H new ATOM 0 HG LEU A 146 10.287 54.785 9.941 1.00 40.01 H new ATOM 0 HD11 LEU A 146 9.811 56.841 11.257 1.00 34.24 H new ATOM 0 HD12 LEU A 146 11.189 57.055 10.151 1.00 34.24 H new ATOM 0 HD13 LEU A 146 9.603 57.749 9.741 1.00 34.24 H new ATOM 0 HD21 LEU A 146 7.981 55.263 10.713 1.00 41.30 H new ATOM 0 HD22 LEU A 146 7.638 56.060 9.160 1.00 41.30 H new ATOM 0 HD23 LEU A 146 8.006 54.320 9.204 1.00 41.30 H new ATOM 807 N CYS A 147 9.349 55.340 4.905 1.00 22.32 N ATOM 808 CA CYS A 147 9.606 55.707 3.509 1.00 70.21 C ATOM 809 C CYS A 147 10.400 57.025 3.487 1.00 42.45 C ATOM 810 O CYS A 147 9.880 58.069 3.896 1.00 44.41 O ATOM 811 CB CYS A 147 8.256 55.836 2.772 1.00 63.23 C ATOM 812 SG CYS A 147 8.352 55.903 0.953 1.00 72.42 S ATOM 0 H CYS A 147 8.447 55.664 5.255 1.00 22.32 H new ATOM 0 HA CYS A 147 10.196 54.945 3.000 1.00 70.21 H new ATOM 0 HB2 CYS A 147 7.627 54.991 3.053 1.00 63.23 H new ATOM 0 HB3 CYS A 147 7.755 56.738 3.125 1.00 63.23 H new ATOM 0 HG CYS A 147 8.444 54.696 0.479 1.00 72.42 H new ATOM 817 N ASP A 148 11.659 56.960 3.014 1.00 12.54 N ATOM 818 CA ASP A 148 12.605 58.097 3.052 1.00 60.11 C ATOM 819 C ASP A 148 12.147 59.232 2.133 1.00 23.02 C ATOM 820 O ASP A 148 12.134 60.396 2.536 1.00 50.14 O ATOM 821 CB ASP A 148 14.035 57.635 2.671 1.00 3.22 C ATOM 822 CG ASP A 148 14.660 56.696 3.718 1.00 72.42 C ATOM 823 OD1 ASP A 148 14.555 55.460 3.574 1.00 44.42 O ATOM 824 OD2 ASP A 148 15.238 57.195 4.710 1.00 60.21 O ATOM 0 H ASP A 148 12.052 56.118 2.594 1.00 12.54 H new ATOM 0 HA ASP A 148 12.624 58.478 4.073 1.00 60.11 H new ATOM 0 HB2 ASP A 148 14.002 57.126 1.708 1.00 3.22 H new ATOM 0 HB3 ASP A 148 14.673 58.510 2.548 1.00 3.22 H new ATOM 829 N LYS A 149 11.759 58.868 0.904 1.00 51.30 N ATOM 830 CA LYS A 149 11.257 59.814 -0.105 1.00 62.20 C ATOM 831 C LYS A 149 9.963 60.499 0.375 1.00 63.14 C ATOM 832 O LYS A 149 9.828 61.719 0.282 1.00 3.11 O ATOM 833 CB LYS A 149 11.014 59.075 -1.451 1.00 33.22 C ATOM 834 CG LYS A 149 12.295 58.614 -2.186 1.00 20.54 C ATOM 835 CD LYS A 149 13.197 59.801 -2.608 1.00 33.23 C ATOM 836 CE LYS A 149 14.421 59.361 -3.428 1.00 31.11 C ATOM 837 NZ LYS A 149 15.290 60.513 -3.792 1.00 63.05 N ATOM 0 H LYS A 149 11.784 57.902 0.578 1.00 51.30 H new ATOM 0 HA LYS A 149 12.009 60.588 -0.256 1.00 62.20 H new ATOM 0 HB2 LYS A 149 10.389 58.203 -1.261 1.00 33.22 H new ATOM 0 HB3 LYS A 149 10.451 59.733 -2.113 1.00 33.22 H new ATOM 0 HG2 LYS A 149 12.861 57.945 -1.538 1.00 20.54 H new ATOM 0 HG3 LYS A 149 12.016 58.041 -3.071 1.00 20.54 H new ATOM 0 HD2 LYS A 149 12.609 60.507 -3.194 1.00 33.23 H new ATOM 0 HD3 LYS A 149 13.534 60.329 -1.716 1.00 33.23 H new ATOM 0 HE2 LYS A 149 15.000 58.637 -2.855 1.00 31.11 H new ATOM 0 HE3 LYS A 149 14.088 58.857 -4.335 1.00 31.11 H new ATOM 0 HZ1 LYS A 149 16.103 60.173 -4.344 1.00 63.05 H new ATOM 0 HZ2 LYS A 149 14.745 61.193 -4.360 1.00 63.05 H new ATOM 0 HZ3 LYS A 149 15.629 60.979 -2.926 1.00 63.05 H new ATOM 851 N PHE A 150 9.041 59.701 0.938 1.00 65.51 N ATOM 852 CA PHE A 150 7.717 60.193 1.365 1.00 51.25 C ATOM 853 C PHE A 150 7.847 61.105 2.611 1.00 40.21 C ATOM 854 O PHE A 150 6.969 61.923 2.876 1.00 22.30 O ATOM 855 CB PHE A 150 6.754 59.003 1.625 1.00 71.34 C ATOM 856 CG PHE A 150 5.274 59.391 1.724 1.00 51.34 C ATOM 857 CD1 PHE A 150 4.483 59.475 0.573 1.00 1.40 C ATOM 858 CD2 PHE A 150 4.672 59.673 2.952 1.00 13.21 C ATOM 859 CE1 PHE A 150 3.149 59.827 0.651 1.00 54.34 C ATOM 860 CE2 PHE A 150 3.338 60.026 3.025 1.00 63.11 C ATOM 861 CZ PHE A 150 2.577 60.103 1.876 1.00 75.43 C ATOM 0 H PHE A 150 9.188 58.706 1.110 1.00 65.51 H new ATOM 0 HA PHE A 150 7.292 60.795 0.562 1.00 51.25 H new ATOM 0 HB2 PHE A 150 6.872 58.275 0.823 1.00 71.34 H new ATOM 0 HB3 PHE A 150 7.049 58.509 2.551 1.00 71.34 H new ATOM 0 HD1 PHE A 150 4.921 59.262 -0.391 1.00 1.40 H new ATOM 0 HD2 PHE A 150 5.257 59.614 3.858 1.00 13.21 H new ATOM 0 HE1 PHE A 150 2.553 59.886 -0.248 1.00 54.34 H new ATOM 0 HE2 PHE A 150 2.890 60.242 3.983 1.00 63.11 H new ATOM 0 HZ PHE A 150 1.535 60.379 1.936 1.00 75.43 H new ATOM 871 N SER A 151 8.942 60.944 3.377 1.00 1.31 N ATOM 872 CA SER A 151 9.249 61.821 4.522 1.00 61.52 C ATOM 873 C SER A 151 9.889 63.152 4.050 1.00 32.20 C ATOM 874 O SER A 151 9.426 64.238 4.423 1.00 32.00 O ATOM 875 CB SER A 151 10.186 61.091 5.517 1.00 41.45 C ATOM 876 OG SER A 151 9.586 59.910 6.027 1.00 42.33 O ATOM 0 H SER A 151 9.633 60.210 3.222 1.00 1.31 H new ATOM 0 HA SER A 151 8.314 62.061 5.029 1.00 61.52 H new ATOM 0 HB2 SER A 151 11.122 60.839 5.018 1.00 41.45 H new ATOM 0 HB3 SER A 151 10.434 61.759 6.342 1.00 41.45 H new ATOM 0 HG SER A 151 9.650 59.196 5.359 1.00 42.33 H new ATOM 882 N MET A 152 10.935 63.047 3.196 1.00 42.34 N ATOM 883 CA MET A 152 11.792 64.198 2.812 1.00 14.01 C ATOM 884 C MET A 152 11.102 65.119 1.792 1.00 31.10 C ATOM 885 O MET A 152 11.057 66.335 1.984 1.00 21.13 O ATOM 886 CB MET A 152 13.159 63.707 2.245 1.00 4.03 C ATOM 887 CG MET A 152 14.036 62.963 3.263 1.00 13.54 C ATOM 888 SD MET A 152 15.637 62.454 2.590 1.00 70.41 S ATOM 889 CE MET A 152 15.152 61.367 1.246 1.00 74.22 C ATOM 0 H MET A 152 11.209 62.169 2.755 1.00 42.34 H new ATOM 0 HA MET A 152 11.968 64.777 3.719 1.00 14.01 H new ATOM 0 HB2 MET A 152 12.972 63.050 1.396 1.00 4.03 H new ATOM 0 HB3 MET A 152 13.712 64.567 1.867 1.00 4.03 H new ATOM 0 HG2 MET A 152 14.201 63.605 4.128 1.00 13.54 H new ATOM 0 HG3 MET A 152 13.502 62.082 3.617 1.00 13.54 H new ATOM 0 HE1 MET A 152 16.039 60.902 0.816 1.00 74.22 H new ATOM 0 HE2 MET A 152 14.485 60.594 1.626 1.00 74.22 H new ATOM 0 HE3 MET A 152 14.637 61.945 0.478 1.00 74.22 H new ATOM 899 N THR A 153 10.590 64.535 0.700 1.00 24.02 N ATOM 900 CA THR A 153 9.938 65.298 -0.392 1.00 35.53 C ATOM 901 C THR A 153 8.407 65.299 -0.222 1.00 1.44 C ATOM 902 O THR A 153 7.714 66.161 -0.775 1.00 73.41 O ATOM 903 CB THR A 153 10.301 64.693 -1.792 1.00 52.42 C ATOM 904 OG1 THR A 153 9.760 63.367 -1.914 1.00 61.53 O ATOM 905 CG2 THR A 153 11.824 64.640 -2.021 1.00 24.23 C ATOM 0 H THR A 153 10.612 63.528 0.542 1.00 24.02 H new ATOM 0 HA THR A 153 10.306 66.323 -0.339 1.00 35.53 H new ATOM 0 HB THR A 153 9.865 65.347 -2.547 1.00 52.42 H new ATOM 0 HG1 THR A 153 9.881 62.885 -1.069 1.00 61.53 H new ATOM 0 HG21 THR A 153 12.030 64.214 -3.003 1.00 24.23 H new ATOM 0 HG22 THR A 153 12.235 65.648 -1.969 1.00 24.23 H new ATOM 0 HG23 THR A 153 12.286 64.020 -1.253 1.00 24.23 H new ATOM 913 N GLY A 154 7.894 64.316 0.539 1.00 12.32 N ATOM 914 CA GLY A 154 6.450 64.126 0.713 1.00 72.30 C ATOM 915 C GLY A 154 5.846 63.212 -0.351 1.00 54.01 C ATOM 916 O GLY A 154 4.635 62.966 -0.352 1.00 40.14 O ATOM 0 H GLY A 154 8.465 63.639 1.045 1.00 12.32 H new ATOM 0 HA2 GLY A 154 6.259 63.704 1.700 1.00 72.30 H new ATOM 0 HA3 GLY A 154 5.953 65.095 0.679 1.00 72.30 H new ATOM 920 N ASN A 155 6.704 62.691 -1.253 1.00 53.25 N ATOM 921 CA ASN A 155 6.285 61.899 -2.428 1.00 53.12 C ATOM 922 C ASN A 155 7.155 60.639 -2.537 1.00 63.12 C ATOM 923 O ASN A 155 8.383 60.735 -2.492 1.00 5.21 O ATOM 924 CB ASN A 155 6.417 62.746 -3.729 1.00 60.14 C ATOM 925 CG ASN A 155 5.528 63.993 -3.738 1.00 53.33 C ATOM 926 OD1 ASN A 155 4.395 63.963 -4.222 1.00 3.22 O ATOM 927 ND2 ASN A 155 6.027 65.093 -3.182 1.00 71.02 N ATOM 0 H ASN A 155 7.715 62.809 -1.186 1.00 53.25 H new ATOM 0 HA ASN A 155 5.241 61.610 -2.304 1.00 53.12 H new ATOM 0 HB2 ASN A 155 7.457 63.050 -3.852 1.00 60.14 H new ATOM 0 HB3 ASN A 155 6.164 62.123 -4.586 1.00 60.14 H new ATOM 0 HD21 ASN A 155 5.468 65.945 -3.147 1.00 71.02 H new ATOM 0 HD22 ASN A 155 6.969 65.084 -2.790 1.00 71.02 H new ATOM 934 N CYS A 156 6.514 59.462 -2.680 1.00 24.04 N ATOM 935 CA CYS A 156 7.207 58.169 -2.859 1.00 74.25 C ATOM 936 C CYS A 156 7.116 57.718 -4.328 1.00 33.22 C ATOM 937 O CYS A 156 6.014 57.560 -4.868 1.00 55.41 O ATOM 938 CB CYS A 156 6.586 57.104 -1.935 1.00 15.43 C ATOM 939 SG CYS A 156 7.336 55.440 -2.052 1.00 15.22 S ATOM 0 H CYS A 156 5.497 59.380 -2.675 1.00 24.04 H new ATOM 0 HA CYS A 156 8.257 58.292 -2.596 1.00 74.25 H new ATOM 0 HB2 CYS A 156 6.665 57.449 -0.904 1.00 15.43 H new ATOM 0 HB3 CYS A 156 5.523 57.023 -2.163 1.00 15.43 H new ATOM 0 HG CYS A 156 7.862 55.120 -0.907 1.00 15.22 H new ATOM 944 N LYS A 157 8.288 57.501 -4.946 1.00 61.54 N ATOM 945 CA LYS A 157 8.423 57.098 -6.366 1.00 42.31 C ATOM 946 C LYS A 157 7.975 55.643 -6.616 1.00 51.34 C ATOM 947 O LYS A 157 7.618 55.292 -7.748 1.00 15.31 O ATOM 948 CB LYS A 157 9.895 57.315 -6.830 1.00 52.21 C ATOM 949 CG LYS A 157 10.970 56.640 -5.940 1.00 54.34 C ATOM 950 CD LYS A 157 12.436 56.941 -6.372 1.00 64.31 C ATOM 951 CE LYS A 157 12.901 56.177 -7.634 1.00 72.33 C ATOM 952 NZ LYS A 157 12.199 56.597 -8.877 1.00 42.32 N ATOM 0 H LYS A 157 9.185 57.601 -4.471 1.00 61.54 H new ATOM 0 HA LYS A 157 7.757 57.728 -6.956 1.00 42.31 H new ATOM 0 HB2 LYS A 157 9.998 56.938 -7.847 1.00 52.21 H new ATOM 0 HB3 LYS A 157 10.095 58.386 -6.865 1.00 52.21 H new ATOM 0 HG2 LYS A 157 10.832 56.969 -4.910 1.00 54.34 H new ATOM 0 HG3 LYS A 157 10.813 55.561 -5.954 1.00 54.34 H new ATOM 0 HD2 LYS A 157 12.536 58.011 -6.553 1.00 64.31 H new ATOM 0 HD3 LYS A 157 13.103 56.694 -5.546 1.00 64.31 H new ATOM 0 HE2 LYS A 157 13.973 56.326 -7.764 1.00 72.33 H new ATOM 0 HE3 LYS A 157 12.744 55.109 -7.481 1.00 72.33 H new ATOM 0 HZ1 LYS A 157 12.871 56.602 -9.670 1.00 42.32 H new ATOM 0 HZ2 LYS A 157 11.427 55.931 -9.082 1.00 42.32 H new ATOM 0 HZ3 LYS A 157 11.807 57.552 -8.749 1.00 42.32 H new ATOM 966 N TYR A 158 8.007 54.802 -5.563 1.00 73.12 N ATOM 967 CA TYR A 158 7.572 53.390 -5.643 1.00 54.30 C ATOM 968 C TYR A 158 6.033 53.297 -5.558 1.00 21.03 C ATOM 969 O TYR A 158 5.407 52.506 -6.281 1.00 44.02 O ATOM 970 CB TYR A 158 8.224 52.556 -4.515 1.00 44.14 C ATOM 971 CG TYR A 158 9.761 52.471 -4.571 1.00 44.33 C ATOM 972 CD1 TYR A 158 10.559 53.474 -4.013 1.00 75.41 C ATOM 973 CD2 TYR A 158 10.411 51.378 -5.157 1.00 33.15 C ATOM 974 CE1 TYR A 158 11.939 53.393 -4.034 1.00 20.42 C ATOM 975 CE2 TYR A 158 11.794 51.297 -5.183 1.00 74.11 C ATOM 976 CZ TYR A 158 12.553 52.305 -4.618 1.00 74.45 C ATOM 977 OH TYR A 158 13.932 52.220 -4.632 1.00 63.53 O ATOM 0 H TYR A 158 8.333 55.079 -4.637 1.00 73.12 H new ATOM 0 HA TYR A 158 7.894 52.984 -6.602 1.00 54.30 H new ATOM 0 HB2 TYR A 158 7.934 52.982 -3.555 1.00 44.14 H new ATOM 0 HB3 TYR A 158 7.818 51.545 -4.551 1.00 44.14 H new ATOM 0 HD1 TYR A 158 10.087 54.331 -3.555 1.00 75.41 H new ATOM 0 HD2 TYR A 158 9.824 50.585 -5.596 1.00 33.15 H new ATOM 0 HE1 TYR A 158 12.534 54.179 -3.594 1.00 20.42 H new ATOM 0 HE2 TYR A 158 12.278 50.448 -5.644 1.00 74.11 H new ATOM 0 HH TYR A 158 14.204 51.392 -5.080 1.00 63.53 H new ATOM 987 N GLY A 159 5.444 54.118 -4.665 1.00 45.32 N ATOM 988 CA GLY A 159 3.990 54.191 -4.488 1.00 33.42 C ATOM 989 C GLY A 159 3.377 52.909 -3.922 1.00 32.23 C ATOM 990 O GLY A 159 3.492 52.640 -2.724 1.00 30.15 O ATOM 0 H GLY A 159 5.965 54.744 -4.051 1.00 45.32 H new ATOM 0 HA2 GLY A 159 3.755 55.021 -3.822 1.00 33.42 H new ATOM 0 HA3 GLY A 159 3.526 54.412 -5.449 1.00 33.42 H new ATOM 994 N THR A 160 2.741 52.113 -4.801 1.00 53.50 N ATOM 995 CA THR A 160 2.110 50.823 -4.440 1.00 71.53 C ATOM 996 C THR A 160 3.163 49.702 -4.317 1.00 3.25 C ATOM 997 O THR A 160 2.941 48.694 -3.638 1.00 22.41 O ATOM 998 CB THR A 160 1.028 50.430 -5.498 1.00 64.41 C ATOM 999 OG1 THR A 160 1.608 50.444 -6.816 1.00 51.20 O ATOM 1000 CG2 THR A 160 -0.190 51.381 -5.464 1.00 51.45 C ATOM 0 H THR A 160 2.648 52.346 -5.790 1.00 53.50 H new ATOM 0 HA THR A 160 1.629 50.946 -3.470 1.00 71.53 H new ATOM 0 HB THR A 160 0.677 49.428 -5.250 1.00 64.41 H new ATOM 0 HG1 THR A 160 0.927 50.196 -7.476 1.00 51.20 H new ATOM 0 HG21 THR A 160 -0.916 51.070 -6.215 1.00 51.45 H new ATOM 0 HG22 THR A 160 -0.652 51.346 -4.477 1.00 51.45 H new ATOM 0 HG23 THR A 160 0.137 52.399 -5.675 1.00 51.45 H new ATOM 1008 N ARG A 161 4.315 49.899 -4.980 1.00 54.41 N ATOM 1009 CA ARG A 161 5.464 48.971 -4.915 1.00 0.51 C ATOM 1010 C ARG A 161 6.252 49.167 -3.601 1.00 34.35 C ATOM 1011 O ARG A 161 7.105 48.340 -3.253 1.00 51.43 O ATOM 1012 CB ARG A 161 6.393 49.207 -6.132 1.00 13.01 C ATOM 1013 CG ARG A 161 5.691 49.110 -7.505 1.00 34.33 C ATOM 1014 CD ARG A 161 6.646 49.407 -8.670 1.00 70.54 C ATOM 1015 NE ARG A 161 5.956 49.416 -9.971 1.00 13.41 N ATOM 1016 CZ ARG A 161 6.480 49.866 -11.124 1.00 33.05 C ATOM 1017 NH1 ARG A 161 7.719 50.361 -11.165 1.00 40.52 N ATOM 1018 NH2 ARG A 161 5.753 49.819 -12.234 1.00 1.22 N ATOM 0 H ARG A 161 4.479 50.708 -5.579 1.00 54.41 H new ATOM 0 HA ARG A 161 5.089 47.948 -4.939 1.00 0.51 H new ATOM 0 HB2 ARG A 161 6.847 50.193 -6.040 1.00 13.01 H new ATOM 0 HB3 ARG A 161 7.203 48.479 -6.101 1.00 13.01 H new ATOM 0 HG2 ARG A 161 5.273 48.111 -7.627 1.00 34.33 H new ATOM 0 HG3 ARG A 161 4.857 49.811 -7.534 1.00 34.33 H new ATOM 0 HD2 ARG A 161 7.123 50.373 -8.508 1.00 70.54 H new ATOM 0 HD3 ARG A 161 7.438 48.659 -8.687 1.00 70.54 H new ATOM 0 HE ARG A 161 5.004 49.051 -9.999 1.00 13.41 H new ATOM 0 HH11 ARG A 161 8.281 50.401 -10.314 1.00 40.52 H new ATOM 0 HH12 ARG A 161 8.104 50.699 -12.047 1.00 40.52 H new ATOM 0 HH21 ARG A 161 4.805 49.444 -12.207 1.00 1.22 H new ATOM 0 HH22 ARG A 161 6.143 50.158 -13.114 1.00 1.22 H new ATOM 1032 N CYS A 162 5.951 50.272 -2.884 1.00 23.11 N ATOM 1033 CA CYS A 162 6.646 50.653 -1.655 1.00 64.14 C ATOM 1034 C CYS A 162 6.237 49.734 -0.490 1.00 44.14 C ATOM 1035 O CYS A 162 5.060 49.674 -0.115 1.00 33.30 O ATOM 1036 CB CYS A 162 6.342 52.131 -1.318 1.00 12.54 C ATOM 1037 SG CYS A 162 7.331 52.829 0.041 1.00 5.44 S ATOM 0 H CYS A 162 5.212 50.923 -3.152 1.00 23.11 H new ATOM 0 HA CYS A 162 7.719 50.540 -1.809 1.00 64.14 H new ATOM 0 HB2 CYS A 162 6.505 52.733 -2.212 1.00 12.54 H new ATOM 0 HB3 CYS A 162 5.286 52.220 -1.062 1.00 12.54 H new ATOM 0 HG CYS A 162 6.578 53.590 0.779 1.00 5.44 H new ATOM 1042 N GLN A 163 7.226 49.016 0.061 1.00 2.33 N ATOM 1043 CA GLN A 163 7.053 48.168 1.261 1.00 60.31 C ATOM 1044 C GLN A 163 7.244 48.997 2.553 1.00 12.54 C ATOM 1045 O GLN A 163 7.167 48.464 3.658 1.00 62.25 O ATOM 1046 CB GLN A 163 8.064 46.988 1.222 1.00 41.50 C ATOM 1047 CG GLN A 163 9.548 47.412 1.187 1.00 23.12 C ATOM 1048 CD GLN A 163 10.533 46.237 1.200 1.00 2.43 C ATOM 1049 OE1 GLN A 163 10.253 45.181 1.770 1.00 22.45 O ATOM 1050 NE2 GLN A 163 11.694 46.417 0.581 1.00 11.24 N ATOM 0 H GLN A 163 8.176 49.004 -0.311 1.00 2.33 H new ATOM 0 HA GLN A 163 6.038 47.770 1.262 1.00 60.31 H new ATOM 0 HB2 GLN A 163 7.901 46.358 2.096 1.00 41.50 H new ATOM 0 HB3 GLN A 163 7.854 46.376 0.345 1.00 41.50 H new ATOM 0 HG2 GLN A 163 9.723 48.010 0.293 1.00 23.12 H new ATOM 0 HG3 GLN A 163 9.752 48.053 2.044 1.00 23.12 H new ATOM 0 HE21 GLN A 163 11.893 47.304 0.119 1.00 11.24 H new ATOM 0 HE22 GLN A 163 12.386 45.668 0.568 1.00 11.24 H new ATOM 1059 N PHE A 164 7.462 50.311 2.391 1.00 50.14 N ATOM 1060 CA PHE A 164 7.841 51.225 3.479 1.00 54.12 C ATOM 1061 C PHE A 164 6.638 52.057 3.963 1.00 41.33 C ATOM 1062 O PHE A 164 5.707 52.325 3.193 1.00 34.03 O ATOM 1063 CB PHE A 164 8.984 52.144 2.999 1.00 3.14 C ATOM 1064 CG PHE A 164 10.208 51.383 2.497 1.00 42.44 C ATOM 1065 CD1 PHE A 164 10.438 51.208 1.129 1.00 20.51 C ATOM 1066 CD2 PHE A 164 11.115 50.824 3.393 1.00 20.21 C ATOM 1067 CE1 PHE A 164 11.537 50.505 0.682 1.00 44.41 C ATOM 1068 CE2 PHE A 164 12.215 50.123 2.943 1.00 42.43 C ATOM 1069 CZ PHE A 164 12.425 49.963 1.588 1.00 62.43 C ATOM 0 H PHE A 164 7.379 50.775 1.487 1.00 50.14 H new ATOM 0 HA PHE A 164 8.184 50.633 4.327 1.00 54.12 H new ATOM 0 HB2 PHE A 164 8.612 52.786 2.200 1.00 3.14 H new ATOM 0 HB3 PHE A 164 9.283 52.797 3.819 1.00 3.14 H new ATOM 0 HD1 PHE A 164 9.747 51.628 0.414 1.00 20.51 H new ATOM 0 HD2 PHE A 164 10.956 50.941 4.455 1.00 20.21 H new ATOM 0 HE1 PHE A 164 11.703 50.379 -0.378 1.00 44.41 H new ATOM 0 HE2 PHE A 164 12.912 49.699 3.651 1.00 42.43 H new ATOM 0 HZ PHE A 164 13.285 49.413 1.237 1.00 62.43 H new ATOM 1079 N ILE A 165 6.688 52.430 5.249 1.00 14.24 N ATOM 1080 CA ILE A 165 5.621 53.160 5.956 1.00 14.42 C ATOM 1081 C ILE A 165 5.461 54.595 5.401 1.00 13.44 C ATOM 1082 O ILE A 165 6.367 55.426 5.544 1.00 14.35 O ATOM 1083 CB ILE A 165 5.943 53.228 7.503 1.00 44.13 C ATOM 1084 CG1 ILE A 165 6.198 51.793 8.079 1.00 60.22 C ATOM 1085 CG2 ILE A 165 4.821 53.958 8.288 1.00 41.34 C ATOM 1086 CD1 ILE A 165 6.683 51.744 9.520 1.00 13.45 C ATOM 0 H ILE A 165 7.492 52.228 5.844 1.00 14.24 H new ATOM 0 HA ILE A 165 4.687 52.621 5.798 1.00 14.42 H new ATOM 0 HB ILE A 165 6.855 53.811 7.628 1.00 44.13 H new ATOM 0 HG12 ILE A 165 5.273 51.221 8.005 1.00 60.22 H new ATOM 0 HG13 ILE A 165 6.933 51.293 7.449 1.00 60.22 H new ATOM 0 HG21 ILE A 165 5.077 53.985 9.347 1.00 41.34 H new ATOM 0 HG22 ILE A 165 4.718 54.976 7.913 1.00 41.34 H new ATOM 0 HG23 ILE A 165 3.879 53.426 8.156 1.00 41.34 H new ATOM 0 HD11 ILE A 165 6.828 50.706 9.820 1.00 13.45 H new ATOM 0 HD12 ILE A 165 7.627 52.282 9.605 1.00 13.45 H new ATOM 0 HD13 ILE A 165 5.941 52.209 10.170 1.00 13.45 H new ATOM 1098 N HIS A 166 4.314 54.860 4.753 1.00 33.12 N ATOM 1099 CA HIS A 166 3.951 56.201 4.267 1.00 25.31 C ATOM 1100 C HIS A 166 3.231 56.990 5.375 1.00 31.22 C ATOM 1101 O HIS A 166 2.022 56.822 5.578 1.00 33.11 O ATOM 1102 CB HIS A 166 3.054 56.115 2.996 1.00 24.04 C ATOM 1103 CG HIS A 166 3.744 55.638 1.751 1.00 74.51 C ATOM 1104 ND1 HIS A 166 3.118 55.524 0.533 1.00 32.21 N ATOM 1105 CD2 HIS A 166 5.037 55.311 1.535 1.00 53.04 C ATOM 1106 CE1 HIS A 166 4.025 55.147 -0.363 1.00 64.14 C ATOM 1107 NE2 HIS A 166 5.222 55.004 0.195 1.00 52.14 N ATOM 0 H HIS A 166 3.611 54.149 4.551 1.00 33.12 H new ATOM 0 HA HIS A 166 4.869 56.723 3.997 1.00 25.31 H new ATOM 0 HB2 HIS A 166 2.219 55.447 3.206 1.00 24.04 H new ATOM 0 HB3 HIS A 166 2.633 57.101 2.802 1.00 24.04 H new ATOM 0 HD2 HIS A 166 5.809 55.292 2.290 1.00 53.04 H new ATOM 0 HE1 HIS A 166 3.816 54.979 -1.409 1.00 64.14 H new ATOM 0 HE2 HIS A 166 6.090 54.728 -0.263 1.00 52.14 H new ATOM 1115 N LYS A 167 3.990 57.812 6.115 1.00 41.54 N ATOM 1116 CA LYS A 167 3.434 58.756 7.104 1.00 34.01 C ATOM 1117 C LYS A 167 3.772 60.205 6.690 1.00 74.04 C ATOM 1118 O LYS A 167 4.919 60.512 6.331 1.00 15.31 O ATOM 1119 CB LYS A 167 3.938 58.434 8.538 1.00 15.44 C ATOM 1120 CG LYS A 167 5.471 58.326 8.699 1.00 71.43 C ATOM 1121 CD LYS A 167 5.909 58.229 10.181 1.00 51.02 C ATOM 1122 CE LYS A 167 5.250 57.061 10.941 1.00 62.52 C ATOM 1123 NZ LYS A 167 5.712 56.981 12.353 1.00 74.45 N ATOM 0 H LYS A 167 5.007 57.843 6.047 1.00 41.54 H new ATOM 0 HA LYS A 167 2.349 58.648 7.122 1.00 34.01 H new ATOM 0 HB2 LYS A 167 3.573 59.207 9.214 1.00 15.44 H new ATOM 0 HB3 LYS A 167 3.490 57.493 8.858 1.00 15.44 H new ATOM 0 HG2 LYS A 167 5.828 57.448 8.160 1.00 71.43 H new ATOM 0 HG3 LYS A 167 5.943 59.195 8.241 1.00 71.43 H new ATOM 0 HD2 LYS A 167 6.992 58.116 10.225 1.00 51.02 H new ATOM 0 HD3 LYS A 167 5.666 59.164 10.686 1.00 51.02 H new ATOM 0 HE2 LYS A 167 4.167 57.181 10.921 1.00 62.52 H new ATOM 0 HE3 LYS A 167 5.477 56.124 10.432 1.00 62.52 H new ATOM 0 HZ1 LYS A 167 5.244 56.182 12.827 1.00 74.45 H new ATOM 0 HZ2 LYS A 167 6.742 56.841 12.374 1.00 74.45 H new ATOM 0 HZ3 LYS A 167 5.473 57.864 12.847 1.00 74.45 H new