USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 966 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 99 HIS : no HD1:sc= 1.27 K(o=2.3,f=-2.5!) USER MOD Set 1.2: A 112 SER OG : rot -84:sc= 1.02 USER MOD Set 2.1: A 96 ASN : amide:sc= 0.193 X(o=0.45,f=0.91) USER MOD Set 2.2: A 115 SER OG : rot 180:sc= 0.256 USER MOD Set 3.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 51 GLN : amide:sc= -0.771 X(o=-0.77,f=-0.5) USER MOD Single : A 3 THR OG1 : rot 140:sc= -2.1! USER MOD Single : A 5 LYS NZ :NH3+ -136:sc= 1.19 (180deg=-0.748) USER MOD Single : A 6 TYR OH : rot 176:sc= 1.09 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0441 USER MOD Single : A 13 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.3!) USER MOD Single : A 14 TYR OH : rot -166:sc= 1.23 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0125) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -176:sc= -0.189 (180deg=-0.218) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 32:sc= -3.45 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0126 K(o=-0.013,f=-1.9) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.394 K(o=-0.39,f=-1.4) USER MOD Single : A 48 THR OG1 : rot 150:sc= -0.414 USER MOD Single : A 50 THR OG1 : rot 81:sc= 0.154 USER MOD Single : A 52 HIS : no HD1:sc= 0.852 K(o=0.85,f=-4.1!) USER MOD Single : A 58 THR OG1 : rot 19:sc= 0.604 USER MOD Single : A 59 THR OG1 : rot -170:sc= 0.116 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.353 USER MOD Single : A 61 ASN : amide:sc= -0.0965 K(o=-0.096,f=-4.2!) USER MOD Single : A 62 SER OG : rot 168:sc= -2.66! USER MOD Single : A 64 THR OG1 : rot 25:sc= 1.17 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -171:sc= -0.996 (180deg=-1.22) USER MOD Single : A 73 THR OG1 : rot 160:sc= 0.0274 USER MOD Single : A 74 MET CE :methyl -143:sc= -0.44 (180deg=-1.68) USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= 1.25 (180deg=1.15) USER MOD Single : A 80 LYS NZ :NH3+ -150:sc= 1.22 (180deg=1.04) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 179:sc= -2.51 (180deg=-2.6) USER MOD Single : A 89 LYS NZ :NH3+ -124:sc= 2.35 (180deg=-0.319) USER MOD Single : A 97 TYR OH : rot -15:sc= -0.522 USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 104 SER OG : rot 55:sc= 0.0329 USER MOD Single : A 107 LYS NZ :NH3+ -154:sc= 1.03 (180deg=0.351) USER MOD Single : A 113 THR OG1 : rot 180:sc=-0.00655 USER MOD Single : A 114 SER OG : rot -119:sc= 1.84 USER MOD Single : A 119 TYR OH : rot 165:sc=-0.00273 USER MOD Single : A 120 LYS NZ :NH3+ 149:sc= 1.3 (180deg=1.07) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -128:sc= 1.25 (180deg=0.0384) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.191 -6.746 -2.981 1.00 0.35 N ATOM 12 CA PHE A 2 -11.014 -6.253 -2.282 1.00 0.27 C ATOM 13 C PHE A 2 -10.781 -7.013 -0.987 1.00 0.23 C ATOM 14 O PHE A 2 -9.660 -7.066 -0.491 1.00 0.25 O ATOM 15 CB PHE A 2 -11.136 -4.753 -2.005 1.00 0.33 C ATOM 16 CG PHE A 2 -10.820 -3.908 -3.203 1.00 0.31 C ATOM 17 CD1 PHE A 2 -9.579 -3.997 -3.813 1.00 1.24 C ATOM 18 CD2 PHE A 2 -11.759 -3.034 -3.724 1.00 1.22 C ATOM 19 CE1 PHE A 2 -9.281 -3.228 -4.920 1.00 1.24 C ATOM 20 CE2 PHE A 2 -11.464 -2.263 -4.831 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.224 -2.360 -5.430 1.00 0.36 C ATOM 0 HA PHE A 2 -10.153 -6.418 -2.929 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.149 -4.533 -1.669 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.464 -4.484 -1.190 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -8.837 -4.675 -3.418 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -12.731 -2.955 -3.260 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -8.310 -3.306 -5.387 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -12.204 -1.584 -5.228 1.00 1.23 H new ATOM 0 HZ PHE A 2 -9.993 -1.758 -6.296 1.00 0.36 H new ATOM 31 N THR A 3 -11.839 -7.599 -0.442 1.00 0.20 N ATOM 32 CA THR A 3 -11.729 -8.360 0.786 1.00 0.19 C ATOM 33 C THR A 3 -10.846 -9.582 0.580 1.00 0.19 C ATOM 34 O THR A 3 -10.943 -10.271 -0.440 1.00 0.26 O ATOM 35 CB THR A 3 -13.104 -8.820 1.272 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.086 -7.823 0.961 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.084 -9.081 2.765 1.00 0.26 C ATOM 0 H THR A 3 -12.780 -7.560 -0.834 1.00 0.20 H new ATOM 0 HA THR A 3 -11.284 -7.707 1.537 1.00 0.19 H new ATOM 0 HB THR A 3 -13.360 -9.750 0.764 1.00 0.21 H new ATOM 0 HG1 THR A 3 -14.910 -8.259 0.658 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.072 -9.407 3.091 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.353 -9.858 2.989 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.813 -8.166 3.291 1.00 0.26 H new ATOM 45 N GLY A 4 -9.992 -9.853 1.552 1.00 0.19 N ATOM 46 CA GLY A 4 -9.109 -10.979 1.444 1.00 0.21 C ATOM 47 C GLY A 4 -7.710 -10.657 1.907 1.00 0.19 C ATOM 48 O GLY A 4 -7.379 -9.493 2.137 1.00 0.21 O ATOM 0 H GLY A 4 -9.899 -9.311 2.411 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.504 -11.805 2.035 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.078 -11.315 0.408 1.00 0.21 H new ATOM 52 N LYS A 5 -6.899 -11.688 2.072 1.00 0.20 N ATOM 53 CA LYS A 5 -5.518 -11.506 2.478 1.00 0.20 C ATOM 54 C LYS A 5 -4.647 -11.563 1.229 1.00 0.18 C ATOM 55 O LYS A 5 -4.966 -12.288 0.283 1.00 0.19 O ATOM 56 CB LYS A 5 -5.100 -12.566 3.515 1.00 0.23 C ATOM 57 CG LYS A 5 -4.230 -13.687 2.964 1.00 0.28 C ATOM 58 CD LYS A 5 -4.115 -14.855 3.934 1.00 0.31 C ATOM 59 CE LYS A 5 -3.459 -14.451 5.248 1.00 0.56 C ATOM 60 NZ LYS A 5 -4.430 -14.440 6.371 1.00 1.54 N ATOM 0 H LYS A 5 -7.174 -12.660 1.931 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.394 -10.538 2.963 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.562 -12.071 4.324 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -5.999 -13.003 3.950 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.648 -14.040 2.021 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.235 -13.299 2.746 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -5.108 -15.257 4.135 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.535 -15.653 3.471 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.648 -15.142 5.476 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.014 -13.461 5.143 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -4.287 -13.585 6.945 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -5.399 -14.445 5.992 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -4.285 -15.283 6.963 1.00 1.54 H new ATOM 74 N TYR A 6 -3.587 -10.781 1.204 1.00 0.19 N ATOM 75 CA TYR A 6 -2.705 -10.745 0.048 1.00 0.19 C ATOM 76 C TYR A 6 -1.265 -10.998 0.455 1.00 0.19 C ATOM 77 O TYR A 6 -0.824 -10.544 1.508 1.00 0.23 O ATOM 78 CB TYR A 6 -2.812 -9.388 -0.656 1.00 0.22 C ATOM 79 CG TYR A 6 -4.213 -9.053 -1.116 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.708 -9.562 -2.306 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.041 -8.235 -0.356 1.00 1.25 C ATOM 82 CE1 TYR A 6 -5.989 -9.264 -2.728 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.321 -7.935 -0.772 1.00 1.29 C ATOM 84 CZ TYR A 6 -6.789 -8.452 -1.958 1.00 0.35 C ATOM 85 OH TYR A 6 -8.061 -8.162 -2.377 1.00 0.44 O ATOM 0 H TYR A 6 -3.313 -10.162 1.967 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.015 -11.534 -0.638 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.465 -8.608 0.022 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.144 -9.382 -1.518 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.083 -10.201 -2.912 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -4.676 -7.828 0.575 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -6.361 -9.667 -3.659 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -6.952 -7.298 -0.170 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.518 -7.631 -1.692 1.00 0.44 H new ATOM 95 N GLU A 7 -0.549 -11.733 -0.381 1.00 0.19 N ATOM 96 CA GLU A 7 0.851 -12.042 -0.134 1.00 0.21 C ATOM 97 C GLU A 7 1.694 -11.537 -1.295 1.00 0.19 C ATOM 98 O GLU A 7 1.215 -11.473 -2.430 1.00 0.22 O ATOM 99 CB GLU A 7 1.059 -13.549 0.032 1.00 0.26 C ATOM 100 CG GLU A 7 0.637 -14.097 1.386 1.00 0.33 C ATOM 101 CD GLU A 7 0.848 -15.598 1.494 1.00 0.59 C ATOM 102 OE1 GLU A 7 0.694 -16.300 0.470 1.00 1.41 O ATOM 103 OE2 GLU A 7 1.162 -16.081 2.604 1.00 1.20 O ATOM 0 H GLU A 7 -0.919 -12.130 -1.245 1.00 0.19 H new ATOM 0 HA GLU A 7 1.156 -11.549 0.789 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.500 -14.068 -0.746 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.113 -13.777 -0.126 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.204 -13.596 2.171 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.415 -13.867 1.556 1.00 0.33 H new ATOM 110 N PHE A 8 2.939 -11.183 -1.004 1.00 0.23 N ATOM 111 CA PHE A 8 3.856 -10.683 -2.021 1.00 0.25 C ATOM 112 C PHE A 8 3.978 -11.663 -3.187 1.00 0.24 C ATOM 113 O PHE A 8 4.161 -12.870 -2.990 1.00 0.33 O ATOM 114 CB PHE A 8 5.234 -10.415 -1.407 1.00 0.33 C ATOM 115 CG PHE A 8 6.257 -9.934 -2.400 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.001 -8.837 -3.207 1.00 1.55 C ATOM 117 CD2 PHE A 8 7.473 -10.583 -2.527 1.00 1.32 C ATOM 118 CE1 PHE A 8 6.939 -8.400 -4.121 1.00 1.86 C ATOM 119 CE2 PHE A 8 8.415 -10.150 -3.439 1.00 1.57 C ATOM 120 CZ PHE A 8 8.148 -9.057 -4.237 1.00 1.49 C ATOM 0 H PHE A 8 3.339 -11.233 -0.067 1.00 0.23 H new ATOM 0 HA PHE A 8 3.451 -9.748 -2.408 1.00 0.25 H new ATOM 0 HB2 PHE A 8 5.131 -9.672 -0.616 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.597 -11.330 -0.939 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.058 -8.318 -3.120 1.00 1.55 H new ATOM 0 HD2 PHE A 8 7.688 -11.439 -1.905 1.00 1.32 H new ATOM 0 HE1 PHE A 8 6.727 -7.544 -4.745 1.00 1.86 H new ATOM 0 HE2 PHE A 8 9.359 -10.666 -3.527 1.00 1.57 H new ATOM 0 HZ PHE A 8 8.883 -8.716 -4.951 1.00 1.49 H new ATOM 130 N GLU A 9 3.856 -11.132 -4.395 1.00 0.25 N ATOM 131 CA GLU A 9 3.945 -11.936 -5.599 1.00 0.26 C ATOM 132 C GLU A 9 4.983 -11.356 -6.555 1.00 0.28 C ATOM 133 O GLU A 9 5.938 -12.030 -6.939 1.00 0.34 O ATOM 134 CB GLU A 9 2.580 -12.004 -6.278 1.00 0.27 C ATOM 135 CG GLU A 9 2.508 -13.014 -7.406 1.00 0.35 C ATOM 136 CD GLU A 9 1.847 -14.302 -6.967 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.357 -14.942 -6.029 1.00 1.46 O ATOM 138 OE2 GLU A 9 0.808 -14.670 -7.546 1.00 1.19 O ATOM 0 H GLU A 9 3.694 -10.139 -4.565 1.00 0.25 H new ATOM 0 HA GLU A 9 4.257 -12.944 -5.325 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.825 -12.252 -5.532 1.00 0.27 H new ATOM 0 HB3 GLU A 9 2.329 -11.018 -6.669 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.953 -12.587 -8.241 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.514 -13.227 -7.768 1.00 0.35 H new ATOM 145 N SER A 10 4.793 -10.100 -6.932 1.00 0.26 N ATOM 146 CA SER A 10 5.703 -9.428 -7.850 1.00 0.29 C ATOM 147 C SER A 10 5.680 -7.914 -7.633 1.00 0.27 C ATOM 148 O SER A 10 4.755 -7.385 -7.013 1.00 0.32 O ATOM 149 CB SER A 10 5.308 -9.752 -9.290 1.00 0.34 C ATOM 150 OG SER A 10 5.403 -11.144 -9.553 1.00 1.01 O ATOM 0 H SER A 10 4.014 -9.523 -6.615 1.00 0.26 H new ATOM 0 HA SER A 10 6.715 -9.785 -7.658 1.00 0.29 H new ATOM 0 HB2 SER A 10 4.288 -9.414 -9.474 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.953 -9.205 -9.978 1.00 0.34 H new ATOM 0 HG SER A 10 5.143 -11.320 -10.481 1.00 1.01 H new ATOM 156 N ASP A 11 6.687 -7.221 -8.160 1.00 0.28 N ATOM 157 CA ASP A 11 6.787 -5.777 -8.027 1.00 0.28 C ATOM 158 C ASP A 11 7.556 -5.213 -9.207 1.00 0.28 C ATOM 159 O ASP A 11 8.341 -5.921 -9.843 1.00 0.34 O ATOM 160 CB ASP A 11 7.472 -5.377 -6.707 1.00 0.32 C ATOM 161 CG ASP A 11 8.991 -5.504 -6.748 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.659 -4.576 -7.253 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.519 -6.528 -6.264 1.00 1.72 O ATOM 0 H ASP A 11 7.450 -7.645 -8.687 1.00 0.28 H new ATOM 0 HA ASP A 11 5.779 -5.364 -8.013 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.208 -4.347 -6.467 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.085 -6.001 -5.902 1.00 0.32 H new ATOM 168 N GLU A 12 7.310 -3.953 -9.515 1.00 0.26 N ATOM 169 CA GLU A 12 7.981 -3.299 -10.613 1.00 0.27 C ATOM 170 C GLU A 12 8.327 -1.872 -10.235 1.00 0.25 C ATOM 171 O GLU A 12 7.522 -1.169 -9.614 1.00 0.26 O ATOM 172 CB GLU A 12 7.095 -3.340 -11.859 1.00 0.32 C ATOM 173 CG GLU A 12 7.483 -2.342 -12.946 1.00 0.38 C ATOM 174 CD GLU A 12 6.581 -2.421 -14.160 1.00 0.57 C ATOM 175 OE1 GLU A 12 6.861 -3.241 -15.061 1.00 1.44 O ATOM 176 OE2 GLU A 12 5.587 -1.666 -14.218 1.00 1.00 O ATOM 0 H GLU A 12 6.646 -3.363 -9.014 1.00 0.26 H new ATOM 0 HA GLU A 12 8.910 -3.824 -10.835 1.00 0.27 H new ATOM 0 HB2 GLU A 12 7.127 -4.345 -12.279 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.063 -3.151 -11.562 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.447 -1.332 -12.536 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.513 -2.525 -13.251 1.00 0.38 H new ATOM 183 N ASN A 13 9.525 -1.467 -10.623 1.00 0.25 N ATOM 184 CA ASN A 13 10.046 -0.127 -10.355 1.00 0.25 C ATOM 185 C ASN A 13 10.160 0.138 -8.854 1.00 0.23 C ATOM 186 O ASN A 13 9.720 1.176 -8.358 1.00 0.30 O ATOM 187 CB ASN A 13 9.152 0.923 -11.018 1.00 0.29 C ATOM 188 CG ASN A 13 9.935 2.063 -11.629 1.00 0.45 C ATOM 189 OD1 ASN A 13 11.113 1.925 -11.951 1.00 0.51 O ATOM 190 ND2 ASN A 13 9.273 3.191 -11.816 1.00 0.84 N ATOM 0 H ASN A 13 10.174 -2.062 -11.139 1.00 0.25 H new ATOM 0 HA ASN A 13 11.048 -0.061 -10.778 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.552 0.445 -11.792 1.00 0.29 H new ATOM 0 HB3 ASN A 13 8.458 1.321 -10.278 1.00 0.29 H new ATOM 0 HD21 ASN A 13 9.739 3.991 -12.243 1.00 0.84 H new ATOM 0 HD22 ASN A 13 8.295 3.262 -11.533 1.00 0.84 H new ATOM 197 N TYR A 14 10.772 -0.799 -8.134 1.00 0.23 N ATOM 198 CA TYR A 14 10.934 -0.672 -6.687 1.00 0.25 C ATOM 199 C TYR A 14 12.062 0.301 -6.326 1.00 0.23 C ATOM 200 O TYR A 14 11.843 1.270 -5.596 1.00 0.22 O ATOM 201 CB TYR A 14 11.211 -2.047 -6.058 1.00 0.32 C ATOM 202 CG TYR A 14 11.100 -2.076 -4.537 1.00 0.44 C ATOM 203 CD1 TYR A 14 12.022 -1.400 -3.744 1.00 1.30 C ATOM 204 CD2 TYR A 14 10.074 -2.768 -3.897 1.00 1.28 C ATOM 205 CE1 TYR A 14 11.926 -1.410 -2.369 1.00 1.36 C ATOM 206 CE2 TYR A 14 9.971 -2.776 -2.513 1.00 1.39 C ATOM 207 CZ TYR A 14 10.901 -2.094 -1.760 1.00 0.78 C ATOM 208 OH TYR A 14 10.799 -2.075 -0.391 1.00 0.98 O ATOM 0 H TYR A 14 11.164 -1.654 -8.528 1.00 0.23 H new ATOM 0 HA TYR A 14 10.002 -0.271 -6.288 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.512 -2.772 -6.475 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.212 -2.369 -6.344 1.00 0.32 H new ATOM 0 HD1 TYR A 14 12.828 -0.857 -4.215 1.00 1.30 H new ATOM 0 HD2 TYR A 14 9.347 -3.307 -4.487 1.00 1.28 H new ATOM 0 HE1 TYR A 14 12.654 -0.882 -1.772 1.00 1.36 H new ATOM 0 HE2 TYR A 14 9.168 -3.313 -2.030 1.00 1.39 H new ATOM 0 HH TYR A 14 10.178 -2.775 -0.099 1.00 0.98 H new ATOM 218 N ASP A 15 13.261 0.038 -6.839 1.00 0.25 N ATOM 219 CA ASP A 15 14.442 0.862 -6.548 1.00 0.26 C ATOM 220 C ASP A 15 14.240 2.313 -6.947 1.00 0.25 C ATOM 221 O ASP A 15 14.622 3.227 -6.220 1.00 0.26 O ATOM 222 CB ASP A 15 15.677 0.324 -7.267 1.00 0.33 C ATOM 223 CG ASP A 15 15.866 -1.162 -7.071 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.157 -1.952 -7.729 1.00 1.18 O ATOM 225 OD2 ASP A 15 16.724 -1.551 -6.254 1.00 1.30 O ATOM 0 H ASP A 15 13.446 -0.746 -7.465 1.00 0.25 H new ATOM 0 HA ASP A 15 14.590 0.813 -5.469 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.594 0.538 -8.333 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.561 0.849 -6.905 1.00 0.33 H new ATOM 230 N ASP A 16 13.658 2.525 -8.109 1.00 0.25 N ATOM 231 CA ASP A 16 13.414 3.875 -8.601 1.00 0.26 C ATOM 232 C ASP A 16 12.464 4.625 -7.681 1.00 0.25 C ATOM 233 O ASP A 16 12.638 5.818 -7.425 1.00 0.29 O ATOM 234 CB ASP A 16 12.834 3.823 -10.003 1.00 0.29 C ATOM 235 CG ASP A 16 13.650 4.631 -10.990 1.00 0.72 C ATOM 236 OD1 ASP A 16 13.397 5.847 -11.126 1.00 1.46 O ATOM 237 OD2 ASP A 16 14.560 4.059 -11.625 1.00 1.20 O ATOM 0 H ASP A 16 13.343 1.783 -8.734 1.00 0.25 H new ATOM 0 HA ASP A 16 14.366 4.405 -8.623 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.786 2.786 -10.336 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.811 4.200 -9.985 1.00 0.29 H new ATOM 242 N PHE A 17 11.463 3.912 -7.192 1.00 0.21 N ATOM 243 CA PHE A 17 10.471 4.482 -6.296 1.00 0.21 C ATOM 244 C PHE A 17 11.098 4.904 -4.974 1.00 0.20 C ATOM 245 O PHE A 17 10.968 6.051 -4.543 1.00 0.23 O ATOM 246 CB PHE A 17 9.369 3.461 -6.030 1.00 0.21 C ATOM 247 CG PHE A 17 8.294 3.962 -5.108 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.341 4.857 -5.561 1.00 1.17 C ATOM 249 CD2 PHE A 17 8.241 3.539 -3.792 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.354 5.321 -4.718 1.00 1.19 C ATOM 251 CE2 PHE A 17 7.256 4.002 -2.945 1.00 1.24 C ATOM 252 CZ PHE A 17 6.312 4.893 -3.410 1.00 0.38 C ATOM 0 H PHE A 17 11.315 2.925 -7.404 1.00 0.21 H new ATOM 0 HA PHE A 17 10.052 5.366 -6.776 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.917 3.172 -6.979 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.813 2.563 -5.602 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.371 5.196 -6.586 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.978 2.840 -3.425 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.615 6.019 -5.083 1.00 1.19 H new ATOM 0 HE2 PHE A 17 7.224 3.667 -1.919 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.539 5.255 -2.748 1.00 0.38 H new ATOM 262 N VAL A 18 11.786 3.966 -4.338 1.00 0.19 N ATOM 263 CA VAL A 18 12.426 4.220 -3.057 1.00 0.21 C ATOM 264 C VAL A 18 13.504 5.295 -3.162 1.00 0.23 C ATOM 265 O VAL A 18 13.673 6.099 -2.243 1.00 0.26 O ATOM 266 CB VAL A 18 13.016 2.931 -2.461 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.906 1.958 -2.103 1.00 0.25 C ATOM 268 CG2 VAL A 18 14.002 2.288 -3.424 1.00 0.23 C ATOM 0 H VAL A 18 11.915 3.018 -4.691 1.00 0.19 H new ATOM 0 HA VAL A 18 11.650 4.588 -2.386 1.00 0.21 H new ATOM 0 HB VAL A 18 13.556 3.192 -1.551 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.339 1.051 -1.682 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.242 2.417 -1.370 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.339 1.707 -2.999 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.405 1.378 -2.979 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.493 2.041 -4.355 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.816 2.983 -3.629 1.00 0.23 H new ATOM 278 N LYS A 19 14.218 5.326 -4.284 1.00 0.24 N ATOM 279 CA LYS A 19 15.260 6.327 -4.489 1.00 0.29 C ATOM 280 C LYS A 19 14.639 7.709 -4.671 1.00 0.30 C ATOM 281 O LYS A 19 15.272 8.727 -4.396 1.00 0.34 O ATOM 282 CB LYS A 19 16.120 5.976 -5.709 1.00 0.33 C ATOM 283 CG LYS A 19 17.255 5.014 -5.396 1.00 0.41 C ATOM 284 CD LYS A 19 18.295 5.663 -4.503 1.00 0.54 C ATOM 285 CE LYS A 19 18.959 4.646 -3.594 1.00 0.87 C ATOM 286 NZ LYS A 19 19.802 5.303 -2.557 1.00 1.18 N ATOM 0 H LYS A 19 14.096 4.675 -5.059 1.00 0.24 H new ATOM 0 HA LYS A 19 15.899 6.337 -3.606 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.484 5.537 -6.477 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.536 6.893 -6.126 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.857 4.125 -4.908 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.723 4.686 -6.324 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.051 6.151 -5.118 1.00 0.54 H new ATOM 0 HD3 LYS A 19 17.825 6.440 -3.900 1.00 0.54 H new ATOM 0 HE2 LYS A 19 18.195 4.037 -3.110 1.00 0.87 H new ATOM 0 HE3 LYS A 19 19.574 3.972 -4.190 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.240 4.577 -1.954 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.546 5.864 -3.019 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.210 5.927 -1.973 1.00 1.18 H new ATOM 300 N LYS A 20 13.391 7.725 -5.119 1.00 0.29 N ATOM 301 CA LYS A 20 12.670 8.966 -5.356 1.00 0.32 C ATOM 302 C LYS A 20 12.146 9.561 -4.067 1.00 0.31 C ATOM 303 O LYS A 20 12.405 10.720 -3.743 1.00 0.36 O ATOM 304 CB LYS A 20 11.503 8.711 -6.294 1.00 0.35 C ATOM 305 CG LYS A 20 11.611 9.486 -7.576 1.00 0.58 C ATOM 306 CD LYS A 20 11.139 10.916 -7.402 1.00 0.73 C ATOM 307 CE LYS A 20 11.057 11.638 -8.734 1.00 0.71 C ATOM 308 NZ LYS A 20 12.393 11.804 -9.366 1.00 0.88 N ATOM 0 H LYS A 20 12.854 6.883 -5.327 1.00 0.29 H new ATOM 0 HA LYS A 20 13.368 9.674 -5.804 1.00 0.32 H new ATOM 0 HB2 LYS A 20 11.450 7.646 -6.521 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.573 8.976 -5.791 1.00 0.35 H new ATOM 0 HG2 LYS A 20 12.646 9.482 -7.918 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.018 8.997 -8.349 1.00 0.58 H new ATOM 0 HD2 LYS A 20 10.160 10.922 -6.922 1.00 0.73 H new ATOM 0 HD3 LYS A 20 11.822 11.448 -6.739 1.00 0.73 H new ATOM 0 HE2 LYS A 20 10.405 11.082 -9.407 1.00 0.71 H new ATOM 0 HE3 LYS A 20 10.602 12.618 -8.587 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.293 12.332 -10.257 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.019 12.328 -8.722 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 12.803 10.869 -9.562 1.00 0.88 H new ATOM 322 N ILE A 21 11.402 8.755 -3.333 1.00 0.28 N ATOM 323 CA ILE A 21 10.823 9.184 -2.071 1.00 0.30 C ATOM 324 C ILE A 21 11.900 9.380 -1.009 1.00 0.32 C ATOM 325 O ILE A 21 11.621 9.852 0.090 1.00 0.39 O ATOM 326 CB ILE A 21 9.775 8.179 -1.566 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.407 6.795 -1.396 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.600 8.123 -2.536 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.621 5.866 -0.497 1.00 0.30 C ATOM 0 H ILE A 21 11.183 7.793 -3.590 1.00 0.28 H new ATOM 0 HA ILE A 21 10.331 10.139 -2.253 1.00 0.30 H new ATOM 0 HB ILE A 21 9.406 8.506 -0.594 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.512 6.332 -2.377 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.412 6.913 -0.990 1.00 0.24 H new ATOM 0 HG21 ILE A 21 7.861 7.409 -2.172 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.144 9.110 -2.612 1.00 0.31 H new ATOM 0 HG23 ILE A 21 8.954 7.810 -3.518 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.134 4.907 -0.428 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.538 6.306 0.497 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.624 5.715 -0.912 1.00 0.30 H new ATOM 341 N GLY A 22 13.129 9.014 -1.345 1.00 0.31 N ATOM 342 CA GLY A 22 14.226 9.176 -0.411 1.00 0.36 C ATOM 343 C GLY A 22 14.160 8.210 0.751 1.00 0.34 C ATOM 344 O GLY A 22 14.424 8.584 1.894 1.00 0.39 O ATOM 0 H GLY A 22 13.386 8.609 -2.245 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.169 9.037 -0.939 1.00 0.36 H new ATOM 0 HA3 GLY A 22 14.223 10.197 -0.029 1.00 0.36 H new ATOM 348 N LEU A 23 13.780 6.976 0.470 1.00 0.28 N ATOM 349 CA LEU A 23 13.695 5.962 1.504 1.00 0.27 C ATOM 350 C LEU A 23 15.098 5.545 1.929 1.00 0.28 C ATOM 351 O LEU A 23 15.958 5.322 1.082 1.00 0.28 O ATOM 352 CB LEU A 23 12.923 4.747 0.985 1.00 0.24 C ATOM 353 CG LEU A 23 12.428 3.774 2.061 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.392 4.431 2.956 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.836 2.535 1.418 1.00 0.25 C ATOM 0 H LEU A 23 13.526 6.653 -0.464 1.00 0.28 H new ATOM 0 HA LEU A 23 13.167 6.372 2.365 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.063 5.100 0.415 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.562 4.201 0.292 1.00 0.24 H new ATOM 0 HG LEU A 23 13.283 3.488 2.673 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.058 3.718 3.710 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.833 5.299 3.447 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.540 4.748 2.354 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.489 1.853 2.194 1.00 0.25 H new ATOM 0 HD22 LEU A 23 10.997 2.820 0.783 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.596 2.040 0.814 1.00 0.25 H new ATOM 367 N PRO A 24 15.367 5.474 3.239 1.00 0.30 N ATOM 368 CA PRO A 24 16.681 5.067 3.742 1.00 0.32 C ATOM 369 C PRO A 24 16.992 3.614 3.397 1.00 0.30 C ATOM 370 O PRO A 24 16.106 2.759 3.440 1.00 0.28 O ATOM 371 CB PRO A 24 16.553 5.239 5.258 1.00 0.37 C ATOM 372 CG PRO A 24 15.093 5.197 5.533 1.00 0.36 C ATOM 373 CD PRO A 24 14.432 5.798 4.330 1.00 0.33 C ATOM 0 HA PRO A 24 17.490 5.652 3.304 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.077 4.445 5.790 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.988 6.183 5.585 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.755 4.173 5.694 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.849 5.759 6.435 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.445 5.369 4.156 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.297 6.874 4.439 1.00 0.33 H new ATOM 381 N ALA A 25 18.252 3.342 3.070 1.00 0.32 N ATOM 382 CA ALA A 25 18.696 1.992 2.709 1.00 0.34 C ATOM 383 C ALA A 25 18.311 0.977 3.781 1.00 0.35 C ATOM 384 O ALA A 25 17.976 -0.168 3.480 1.00 0.36 O ATOM 385 CB ALA A 25 20.202 1.974 2.498 1.00 0.39 C ATOM 0 H ALA A 25 18.992 4.043 3.047 1.00 0.32 H new ATOM 0 HA ALA A 25 18.197 1.713 1.781 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.520 0.966 2.230 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.465 2.663 1.695 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.702 2.280 3.417 1.00 0.39 H new ATOM 391 N ASP A 26 18.349 1.428 5.028 1.00 0.37 N ATOM 392 CA ASP A 26 18.017 0.596 6.176 1.00 0.40 C ATOM 393 C ASP A 26 16.602 0.050 6.057 1.00 0.38 C ATOM 394 O ASP A 26 16.344 -1.107 6.381 1.00 0.42 O ATOM 395 CB ASP A 26 18.128 1.396 7.484 1.00 0.46 C ATOM 396 CG ASP A 26 19.148 2.517 7.422 1.00 1.27 C ATOM 397 OD1 ASP A 26 18.918 3.502 6.684 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.178 2.433 8.117 1.00 2.03 O ATOM 0 H ASP A 26 18.611 2.383 5.272 1.00 0.37 H new ATOM 0 HA ASP A 26 18.727 -0.231 6.194 1.00 0.40 H new ATOM 0 HB2 ASP A 26 17.152 1.816 7.728 1.00 0.46 H new ATOM 0 HB3 ASP A 26 18.394 0.717 8.294 1.00 0.46 H new ATOM 403 N LYS A 27 15.691 0.892 5.581 1.00 0.35 N ATOM 404 CA LYS A 27 14.295 0.506 5.439 1.00 0.36 C ATOM 405 C LYS A 27 14.043 -0.126 4.077 1.00 0.32 C ATOM 406 O LYS A 27 13.185 -0.997 3.944 1.00 0.33 O ATOM 407 CB LYS A 27 13.376 1.718 5.647 1.00 0.39 C ATOM 408 CG LYS A 27 13.497 2.363 7.024 1.00 0.41 C ATOM 409 CD LYS A 27 13.040 1.429 8.135 1.00 0.48 C ATOM 410 CE LYS A 27 13.109 2.113 9.496 1.00 0.72 C ATOM 411 NZ LYS A 27 12.637 1.236 10.602 1.00 0.94 N ATOM 0 H LYS A 27 15.896 1.847 5.287 1.00 0.35 H new ATOM 0 HA LYS A 27 14.069 -0.235 6.206 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.601 2.466 4.886 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.343 1.407 5.493 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.533 2.653 7.198 1.00 0.41 H new ATOM 0 HG3 LYS A 27 12.902 3.276 7.050 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.018 1.102 7.941 1.00 0.48 H new ATOM 0 HD3 LYS A 27 13.665 0.536 8.142 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.136 2.419 9.693 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.505 3.020 9.474 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 12.705 1.749 11.504 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 11.648 0.964 10.431 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 13.228 0.382 10.644 1.00 0.94 H new ATOM 425 N ILE A 28 14.785 0.329 3.072 1.00 0.30 N ATOM 426 CA ILE A 28 14.648 -0.191 1.714 1.00 0.29 C ATOM 427 C ILE A 28 14.882 -1.701 1.675 1.00 0.34 C ATOM 428 O ILE A 28 14.003 -2.465 1.282 1.00 0.37 O ATOM 429 CB ILE A 28 15.644 0.487 0.741 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.269 1.950 0.513 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.679 -0.256 -0.587 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.207 2.678 -0.426 1.00 0.26 C ATOM 0 H ILE A 28 15.490 1.059 3.172 1.00 0.30 H new ATOM 0 HA ILE A 28 13.629 0.031 1.398 1.00 0.29 H new ATOM 0 HB ILE A 28 16.636 0.450 1.192 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.257 1.998 0.111 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.256 2.467 1.473 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.384 0.233 -1.259 1.00 0.35 H new ATOM 0 HG22 ILE A 28 15.993 -1.286 -0.419 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.685 -0.248 -1.035 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.878 3.711 -0.540 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.217 2.662 -0.016 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.202 2.186 -1.399 1.00 0.26 H new ATOM 444 N GLU A 29 16.067 -2.116 2.107 1.00 0.37 N ATOM 445 CA GLU A 29 16.438 -3.527 2.106 1.00 0.44 C ATOM 446 C GLU A 29 15.583 -4.311 3.090 1.00 0.43 C ATOM 447 O GLU A 29 15.292 -5.491 2.886 1.00 0.47 O ATOM 448 CB GLU A 29 17.917 -3.678 2.460 1.00 0.52 C ATOM 449 CG GLU A 29 18.854 -2.995 1.474 1.00 0.55 C ATOM 450 CD GLU A 29 18.605 -3.432 0.048 1.00 0.94 C ATOM 451 OE1 GLU A 29 18.730 -4.640 -0.233 1.00 1.73 O ATOM 452 OE2 GLU A 29 18.276 -2.576 -0.795 1.00 1.41 O ATOM 0 H GLU A 29 16.791 -1.492 2.464 1.00 0.37 H new ATOM 0 HA GLU A 29 16.266 -3.928 1.107 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.087 -3.266 3.455 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.164 -4.739 2.507 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.730 -1.915 1.547 1.00 0.55 H new ATOM 0 HG3 GLU A 29 19.886 -3.216 1.744 1.00 0.55 H new ATOM 459 N MET A 30 15.175 -3.635 4.144 1.00 0.41 N ATOM 460 CA MET A 30 14.357 -4.232 5.180 1.00 0.43 C ATOM 461 C MET A 30 12.957 -4.560 4.657 1.00 0.40 C ATOM 462 O MET A 30 12.406 -5.619 4.950 1.00 0.41 O ATOM 463 CB MET A 30 14.271 -3.269 6.362 1.00 0.45 C ATOM 464 CG MET A 30 13.534 -3.812 7.572 1.00 0.46 C ATOM 465 SD MET A 30 14.445 -5.101 8.436 1.00 0.63 S ATOM 466 CE MET A 30 13.492 -6.537 7.965 1.00 0.97 C ATOM 0 H MET A 30 15.402 -2.654 4.307 1.00 0.41 H new ATOM 0 HA MET A 30 14.816 -5.167 5.499 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.282 -2.994 6.663 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.777 -2.355 6.033 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.331 -2.994 8.263 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.569 -4.208 7.254 1.00 0.46 H new ATOM 0 HE1 MET A 30 13.883 -7.417 8.476 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.449 -6.389 8.244 1.00 0.97 H new ATOM 0 HE3 MET A 30 13.562 -6.683 6.887 1.00 0.97 H new ATOM 476 N GLY A 31 12.405 -3.655 3.858 1.00 0.39 N ATOM 477 CA GLY A 31 11.068 -3.841 3.330 1.00 0.39 C ATOM 478 C GLY A 31 11.036 -4.289 1.882 1.00 0.43 C ATOM 479 O GLY A 31 10.071 -4.020 1.168 1.00 0.51 O ATOM 0 H GLY A 31 12.863 -2.792 3.565 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.547 -4.579 3.940 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.518 -2.905 3.423 1.00 0.39 H new ATOM 483 N ARG A 32 12.070 -4.985 1.438 1.00 0.43 N ATOM 484 CA ARG A 32 12.117 -5.471 0.063 1.00 0.50 C ATOM 485 C ARG A 32 12.349 -6.967 0.065 1.00 0.44 C ATOM 486 O ARG A 32 13.041 -7.490 0.942 1.00 0.49 O ATOM 487 CB ARG A 32 13.198 -4.745 -0.747 1.00 0.60 C ATOM 488 CG ARG A 32 14.604 -5.291 -0.549 1.00 0.78 C ATOM 489 CD ARG A 32 15.626 -4.457 -1.296 1.00 0.71 C ATOM 490 NE ARG A 32 15.225 -4.214 -2.677 1.00 1.31 N ATOM 491 CZ ARG A 32 15.804 -3.319 -3.477 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.827 -2.588 -3.046 1.00 1.65 N ATOM 493 NH2 ARG A 32 15.356 -3.155 -4.713 1.00 2.27 N ATOM 0 H ARG A 32 12.884 -5.226 2.003 1.00 0.43 H new ATOM 0 HA ARG A 32 11.162 -5.261 -0.418 1.00 0.50 H new ATOM 0 HB2 ARG A 32 12.944 -4.805 -1.805 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.190 -3.689 -0.477 1.00 0.60 H new ATOM 0 HG2 ARG A 32 14.846 -5.302 0.514 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.649 -6.323 -0.897 1.00 0.78 H new ATOM 0 HD2 ARG A 32 15.761 -3.504 -0.784 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.590 -4.966 -1.282 1.00 0.71 H new ATOM 0 HE ARG A 32 14.453 -4.764 -3.054 1.00 1.31 H new ATOM 0 HH11 ARG A 32 17.176 -2.709 -2.095 1.00 1.65 H new ATOM 0 HH12 ARG A 32 17.263 -1.906 -3.666 1.00 1.65 H new ATOM 0 HH21 ARG A 32 14.571 -3.713 -5.049 1.00 2.27 H new ATOM 0 HH22 ARG A 32 15.796 -2.471 -5.328 1.00 2.27 H new ATOM 507 N ASN A 33 11.728 -7.655 -0.894 1.00 0.53 N ATOM 508 CA ASN A 33 11.850 -9.107 -1.024 1.00 0.67 C ATOM 509 C ASN A 33 11.236 -9.812 0.185 1.00 0.59 C ATOM 510 O ASN A 33 11.444 -11.009 0.397 1.00 0.69 O ATOM 511 CB ASN A 33 13.321 -9.508 -1.179 1.00 0.80 C ATOM 512 CG ASN A 33 13.518 -10.569 -2.234 1.00 1.23 C ATOM 513 OD1 ASN A 33 13.670 -11.749 -1.927 1.00 1.72 O ATOM 514 ND2 ASN A 33 13.502 -10.156 -3.489 1.00 1.78 N ATOM 0 H ASN A 33 11.130 -7.224 -1.599 1.00 0.53 H new ATOM 0 HA ASN A 33 11.306 -9.416 -1.917 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.910 -8.628 -1.438 1.00 0.80 H new ATOM 0 HB3 ASN A 33 13.698 -9.874 -0.224 1.00 0.80 H new ATOM 0 HD21 ASN A 33 13.619 -10.827 -4.248 1.00 1.78 H new ATOM 0 HD22 ASN A 33 13.373 -9.166 -3.699 1.00 1.78 H new ATOM 521 N CYS A 34 10.471 -9.068 0.964 1.00 0.47 N ATOM 522 CA CYS A 34 9.840 -9.610 2.156 1.00 0.41 C ATOM 523 C CYS A 34 8.399 -10.020 1.880 1.00 0.41 C ATOM 524 O CYS A 34 7.760 -9.520 0.948 1.00 0.48 O ATOM 525 CB CYS A 34 9.889 -8.571 3.270 1.00 0.38 C ATOM 526 SG CYS A 34 9.464 -6.910 2.715 1.00 1.16 S ATOM 0 H CYS A 34 10.271 -8.083 0.792 1.00 0.47 H new ATOM 0 HA CYS A 34 10.385 -10.503 2.463 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.204 -8.868 4.064 1.00 0.38 H new ATOM 0 HB3 CYS A 34 10.890 -8.558 3.701 1.00 0.38 H new ATOM 0 HG CYS A 34 8.596 -6.984 1.750 1.00 1.16 H new ATOM 532 N LYS A 35 7.888 -10.927 2.698 1.00 0.39 N ATOM 533 CA LYS A 35 6.525 -11.410 2.546 1.00 0.42 C ATOM 534 C LYS A 35 5.544 -10.528 3.311 1.00 0.38 C ATOM 535 O LYS A 35 5.249 -10.763 4.483 1.00 0.40 O ATOM 536 CB LYS A 35 6.406 -12.876 2.996 1.00 0.47 C ATOM 537 CG LYS A 35 7.123 -13.196 4.302 1.00 0.48 C ATOM 538 CD LYS A 35 7.116 -14.687 4.583 1.00 1.13 C ATOM 539 CE LYS A 35 8.206 -15.069 5.570 1.00 1.64 C ATOM 540 NZ LYS A 35 8.350 -16.542 5.697 1.00 2.49 N ATOM 0 H LYS A 35 8.399 -11.344 3.476 1.00 0.39 H new ATOM 0 HA LYS A 35 6.270 -11.360 1.487 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.350 -13.125 3.105 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.805 -13.518 2.210 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.151 -12.838 4.252 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.641 -12.667 5.124 1.00 0.48 H new ATOM 0 HD2 LYS A 35 6.144 -14.980 4.980 1.00 1.13 H new ATOM 0 HD3 LYS A 35 7.258 -15.235 3.652 1.00 1.13 H new ATOM 0 HE2 LYS A 35 9.154 -14.638 5.248 1.00 1.64 H new ATOM 0 HE3 LYS A 35 7.977 -14.642 6.546 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 9.104 -16.760 6.380 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 7.453 -16.951 6.029 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 8.594 -16.948 4.771 1.00 2.49 H new ATOM 554 N ILE A 36 5.068 -9.486 2.648 1.00 0.36 N ATOM 555 CA ILE A 36 4.109 -8.578 3.257 1.00 0.34 C ATOM 556 C ILE A 36 2.695 -9.079 3.028 1.00 0.33 C ATOM 557 O ILE A 36 2.278 -9.284 1.887 1.00 0.41 O ATOM 558 CB ILE A 36 4.217 -7.141 2.698 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.669 -6.668 2.704 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.355 -6.183 3.516 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.289 -6.655 4.081 1.00 0.66 C ATOM 0 H ILE A 36 5.329 -9.248 1.691 1.00 0.36 H new ATOM 0 HA ILE A 36 4.341 -8.550 4.322 1.00 0.34 H new ATOM 0 HB ILE A 36 3.856 -7.150 1.669 1.00 0.41 H new ATOM 0 HG12 ILE A 36 6.257 -7.316 2.055 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.718 -5.664 2.282 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.443 -5.176 3.108 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.314 -6.502 3.472 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.692 -6.186 4.553 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.320 -6.309 4.012 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.724 -5.985 4.728 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.271 -7.662 4.498 1.00 0.66 H new ATOM 573 N VAL A 37 1.970 -9.283 4.111 1.00 0.29 N ATOM 574 CA VAL A 37 0.600 -9.754 4.025 1.00 0.29 C ATOM 575 C VAL A 37 -0.369 -8.605 4.258 1.00 0.30 C ATOM 576 O VAL A 37 -0.276 -7.897 5.262 1.00 0.37 O ATOM 577 CB VAL A 37 0.304 -10.880 5.035 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.085 -11.458 4.803 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.366 -11.974 4.954 1.00 0.32 C ATOM 0 H VAL A 37 2.307 -9.130 5.062 1.00 0.29 H new ATOM 0 HA VAL A 37 0.467 -10.158 3.021 1.00 0.29 H new ATOM 0 HB VAL A 37 0.333 -10.454 6.038 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.274 -12.251 5.526 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.831 -10.672 4.923 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -1.146 -11.865 3.794 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.137 -12.758 5.676 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.377 -12.397 3.950 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.344 -11.549 5.179 1.00 0.32 H new ATOM 589 N THR A 38 -1.280 -8.413 3.319 1.00 0.25 N ATOM 590 CA THR A 38 -2.277 -7.364 3.422 1.00 0.26 C ATOM 591 C THR A 38 -3.652 -7.980 3.632 1.00 0.24 C ATOM 592 O THR A 38 -4.196 -8.614 2.736 1.00 0.23 O ATOM 593 CB THR A 38 -2.285 -6.469 2.163 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.007 -5.838 2.014 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.372 -5.409 2.250 1.00 0.30 C ATOM 0 H THR A 38 -1.349 -8.975 2.471 1.00 0.25 H new ATOM 0 HA THR A 38 -2.023 -6.737 4.277 1.00 0.26 H new ATOM 0 HB THR A 38 -2.490 -7.098 1.297 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.013 -5.272 1.214 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.354 -4.794 1.350 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.345 -5.892 2.340 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.198 -4.780 3.123 1.00 0.30 H new ATOM 603 N GLU A 39 -4.194 -7.818 4.830 1.00 0.25 N ATOM 604 CA GLU A 39 -5.503 -8.372 5.152 1.00 0.25 C ATOM 605 C GLU A 39 -6.569 -7.289 5.066 1.00 0.24 C ATOM 606 O GLU A 39 -6.519 -6.291 5.793 1.00 0.28 O ATOM 607 CB GLU A 39 -5.478 -9.019 6.540 1.00 0.28 C ATOM 608 CG GLU A 39 -4.312 -9.978 6.720 1.00 0.38 C ATOM 609 CD GLU A 39 -4.524 -10.959 7.853 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.375 -10.560 9.027 1.00 1.24 O ATOM 611 OE2 GLU A 39 -4.834 -12.132 7.571 1.00 1.39 O ATOM 0 H GLU A 39 -3.750 -7.309 5.594 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.751 -9.146 4.425 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.422 -8.239 7.299 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.413 -9.555 6.703 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.156 -10.530 5.793 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.403 -9.406 6.907 1.00 0.38 H new ATOM 618 N VAL A 40 -7.515 -7.483 4.155 1.00 0.20 N ATOM 619 CA VAL A 40 -8.587 -6.527 3.937 1.00 0.20 C ATOM 620 C VAL A 40 -9.931 -7.098 4.361 1.00 0.21 C ATOM 621 O VAL A 40 -10.255 -8.245 4.051 1.00 0.20 O ATOM 622 CB VAL A 40 -8.668 -6.126 2.451 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.794 -5.134 2.207 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.337 -5.559 1.984 1.00 0.22 C ATOM 0 H VAL A 40 -7.558 -8.304 3.551 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.362 -5.650 4.544 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.887 -7.022 1.870 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.825 -4.871 1.150 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.744 -5.583 2.497 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.622 -4.235 2.799 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.409 -5.280 0.933 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.088 -4.679 2.577 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.558 -6.311 2.107 1.00 0.22 H new ATOM 634 N VAL A 41 -10.701 -6.295 5.077 1.00 0.24 N ATOM 635 CA VAL A 41 -12.023 -6.690 5.528 1.00 0.27 C ATOM 636 C VAL A 41 -13.082 -5.744 4.961 1.00 0.29 C ATOM 637 O VAL A 41 -12.905 -4.527 4.976 1.00 0.31 O ATOM 638 CB VAL A 41 -12.127 -6.685 7.070 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.531 -7.059 7.522 1.00 0.70 C ATOM 640 CG2 VAL A 41 -11.104 -7.627 7.686 1.00 0.95 C ATOM 0 H VAL A 41 -10.427 -5.354 5.361 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.194 -7.705 5.169 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.914 -5.673 7.415 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.578 -7.048 8.611 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.246 -6.340 7.121 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.777 -8.057 7.158 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.197 -7.606 8.772 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.280 -8.641 7.326 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -10.100 -7.310 7.402 1.00 0.95 H new ATOM 650 N GLN A 42 -14.165 -6.318 4.447 1.00 0.31 N ATOM 651 CA GLN A 42 -15.260 -5.535 3.889 1.00 0.36 C ATOM 652 C GLN A 42 -16.178 -5.045 5.007 1.00 0.30 C ATOM 653 O GLN A 42 -16.600 -5.824 5.863 1.00 0.42 O ATOM 654 CB GLN A 42 -16.059 -6.381 2.889 1.00 0.53 C ATOM 655 CG GLN A 42 -17.274 -5.675 2.305 1.00 1.14 C ATOM 656 CD GLN A 42 -16.905 -4.469 1.465 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.808 -3.352 1.973 1.00 2.06 O ATOM 658 NE2 GLN A 42 -16.692 -4.684 0.175 1.00 1.59 N ATOM 0 H GLN A 42 -14.307 -7.327 4.406 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.844 -4.672 3.369 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -15.399 -6.679 2.074 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.387 -7.295 3.384 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.838 -6.379 1.694 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -17.930 -5.360 3.116 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -16.783 -5.625 -0.207 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -16.437 -3.908 -0.436 1.00 1.59 H new ATOM 667 N ASN A 43 -16.477 -3.757 4.998 1.00 0.30 N ATOM 668 CA ASN A 43 -17.342 -3.169 6.007 1.00 0.37 C ATOM 669 C ASN A 43 -18.066 -1.959 5.426 1.00 0.34 C ATOM 670 O ASN A 43 -17.709 -0.815 5.712 1.00 0.37 O ATOM 671 CB ASN A 43 -16.523 -2.762 7.233 1.00 0.53 C ATOM 672 CG ASN A 43 -17.370 -2.607 8.481 1.00 0.97 C ATOM 673 OD1 ASN A 43 -17.888 -1.529 8.764 1.00 1.44 O ATOM 674 ND2 ASN A 43 -17.516 -3.683 9.242 1.00 1.73 N ATOM 0 H ASN A 43 -16.132 -3.097 4.301 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.082 -3.908 6.316 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -15.752 -3.511 7.414 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.012 -1.821 7.027 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -18.074 -3.633 10.095 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -17.071 -4.561 8.975 1.00 1.73 H new ATOM 681 N GLY A 44 -19.065 -2.220 4.587 1.00 0.35 N ATOM 682 CA GLY A 44 -19.816 -1.145 3.966 1.00 0.37 C ATOM 683 C GLY A 44 -18.979 -0.405 2.942 1.00 0.34 C ATOM 684 O GLY A 44 -18.937 -0.784 1.771 1.00 0.40 O ATOM 0 H GLY A 44 -19.367 -3.159 4.326 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.706 -1.551 3.485 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.157 -0.448 4.731 1.00 0.37 H new ATOM 688 N ASN A 45 -18.320 0.650 3.383 1.00 0.31 N ATOM 689 CA ASN A 45 -17.455 1.429 2.512 1.00 0.29 C ATOM 690 C ASN A 45 -16.142 1.728 3.218 1.00 0.28 C ATOM 691 O ASN A 45 -15.331 2.527 2.746 1.00 0.29 O ATOM 692 CB ASN A 45 -18.139 2.721 2.068 1.00 0.32 C ATOM 693 CG ASN A 45 -18.438 2.722 0.577 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.378 3.760 -0.075 1.00 0.41 O ATOM 695 ND2 ASN A 45 -18.769 1.558 0.029 1.00 0.43 N ATOM 0 H ASN A 45 -18.367 0.990 4.344 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.248 0.842 1.617 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -19.067 2.850 2.624 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.501 3.571 2.311 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -18.984 1.506 -0.967 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -18.808 0.716 0.604 1.00 0.43 H new ATOM 702 N ASP A 46 -15.943 1.067 4.353 1.00 0.30 N ATOM 703 CA ASP A 46 -14.730 1.221 5.145 1.00 0.29 C ATOM 704 C ASP A 46 -13.873 -0.032 5.003 1.00 0.28 C ATOM 705 O ASP A 46 -14.211 -1.090 5.534 1.00 0.36 O ATOM 706 CB ASP A 46 -15.095 1.451 6.618 1.00 0.33 C ATOM 707 CG ASP A 46 -13.893 1.733 7.494 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.213 2.749 7.267 1.00 1.29 O ATOM 709 OD2 ASP A 46 -13.636 0.948 8.433 1.00 1.36 O ATOM 0 H ASP A 46 -16.617 0.411 4.749 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.167 2.083 4.787 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.791 2.287 6.687 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.615 0.572 6.998 1.00 0.33 H new ATOM 714 N PHE A 47 -12.767 0.087 4.292 1.00 0.23 N ATOM 715 CA PHE A 47 -11.881 -1.042 4.072 1.00 0.23 C ATOM 716 C PHE A 47 -10.694 -0.986 5.015 1.00 0.23 C ATOM 717 O PHE A 47 -10.086 0.071 5.210 1.00 0.24 O ATOM 718 CB PHE A 47 -11.412 -1.062 2.614 1.00 0.25 C ATOM 719 CG PHE A 47 -12.538 -1.257 1.633 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.300 -0.178 1.204 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.843 -2.519 1.150 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.342 -0.358 0.313 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.885 -2.702 0.259 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.636 -1.621 -0.158 1.00 0.34 C ATOM 0 H PHE A 47 -12.460 0.956 3.856 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.430 -1.961 4.277 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -10.901 -0.125 2.390 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.683 -1.862 2.484 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.076 0.813 1.570 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.261 -3.369 1.473 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -14.926 0.490 -0.014 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -14.111 -3.691 -0.111 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.452 -1.764 -0.851 1.00 0.34 H new ATOM 734 N THR A 48 -10.379 -2.120 5.611 1.00 0.26 N ATOM 735 CA THR A 48 -9.267 -2.213 6.535 1.00 0.27 C ATOM 736 C THR A 48 -8.013 -2.691 5.809 1.00 0.28 C ATOM 737 O THR A 48 -8.024 -3.732 5.159 1.00 0.38 O ATOM 738 CB THR A 48 -9.592 -3.193 7.678 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.039 -4.438 7.133 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.671 -2.630 8.581 1.00 0.56 C ATOM 0 H THR A 48 -10.883 -2.996 5.470 1.00 0.26 H new ATOM 0 HA THR A 48 -9.091 -1.221 6.951 1.00 0.27 H new ATOM 0 HB THR A 48 -8.686 -3.346 8.265 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.794 -5.168 7.740 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.883 -3.340 9.380 1.00 0.56 H new ATOM 0 HG22 THR A 48 -10.330 -1.689 9.012 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.577 -2.456 8.000 1.00 0.56 H new ATOM 748 N TRP A 49 -6.946 -1.922 5.891 1.00 0.23 N ATOM 749 CA TRP A 49 -5.700 -2.300 5.254 1.00 0.23 C ATOM 750 C TRP A 49 -4.689 -2.703 6.321 1.00 0.23 C ATOM 751 O TRP A 49 -4.116 -1.851 6.999 1.00 0.24 O ATOM 752 CB TRP A 49 -5.154 -1.144 4.406 1.00 0.25 C ATOM 753 CG TRP A 49 -4.902 -1.511 2.972 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.689 -1.594 2.350 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.882 -1.838 1.978 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.853 -1.957 1.036 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.189 -2.113 0.783 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.276 -1.930 1.985 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.845 -2.475 -0.392 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.925 -2.283 0.818 1.00 0.38 C ATOM 761 CH2 TRP A 49 -7.210 -2.552 -0.356 1.00 0.42 C ATOM 0 H TRP A 49 -6.916 -1.034 6.391 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.880 -3.147 4.592 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.861 -0.315 4.440 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.224 -0.788 4.849 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.738 -1.402 2.824 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -3.102 -2.089 0.359 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.836 -1.729 2.886 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.296 -2.687 -1.297 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -9.003 -2.353 0.811 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.748 -2.826 -1.252 1.00 0.42 H new ATOM 772 N THR A 50 -4.497 -4.001 6.488 1.00 0.22 N ATOM 773 CA THR A 50 -3.561 -4.512 7.478 1.00 0.24 C ATOM 774 C THR A 50 -2.289 -5.028 6.821 1.00 0.25 C ATOM 775 O THR A 50 -2.339 -5.953 6.015 1.00 0.35 O ATOM 776 CB THR A 50 -4.194 -5.654 8.288 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.573 -5.356 8.541 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.450 -5.866 9.601 1.00 0.28 C ATOM 0 H THR A 50 -4.978 -4.722 5.950 1.00 0.22 H new ATOM 0 HA THR A 50 -3.312 -3.683 8.141 1.00 0.24 H new ATOM 0 HB THR A 50 -4.124 -6.575 7.709 1.00 0.26 H new ATOM 0 HG1 THR A 50 -6.107 -5.585 7.752 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.917 -6.679 10.156 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.410 -6.118 9.393 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.490 -4.952 10.194 1.00 0.28 H new ATOM 786 N GLN A 51 -1.159 -4.425 7.163 1.00 0.22 N ATOM 787 CA GLN A 51 0.126 -4.830 6.615 1.00 0.23 C ATOM 788 C GLN A 51 0.925 -5.592 7.664 1.00 0.22 C ATOM 789 O GLN A 51 1.244 -5.052 8.731 1.00 0.24 O ATOM 790 CB GLN A 51 0.936 -3.611 6.163 1.00 0.27 C ATOM 791 CG GLN A 51 0.641 -3.140 4.746 1.00 0.56 C ATOM 792 CD GLN A 51 -0.732 -2.519 4.605 1.00 0.71 C ATOM 793 OE1 GLN A 51 -0.939 -1.357 4.944 1.00 1.62 O ATOM 794 NE2 GLN A 51 -1.672 -3.284 4.081 1.00 0.82 N ATOM 0 H GLN A 51 -1.107 -3.648 7.822 1.00 0.22 H new ATOM 0 HA GLN A 51 -0.064 -5.471 5.754 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.744 -2.789 6.852 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.997 -3.849 6.239 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.396 -2.413 4.446 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.724 -3.985 4.063 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -1.457 -4.244 3.813 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -2.613 -2.914 3.944 1.00 0.82 H new ATOM 803 N HIS A 52 1.247 -6.837 7.368 1.00 0.22 N ATOM 804 CA HIS A 52 2.020 -7.656 8.286 1.00 0.23 C ATOM 805 C HIS A 52 3.456 -7.745 7.835 1.00 0.23 C ATOM 806 O HIS A 52 3.741 -8.037 6.671 1.00 0.26 O ATOM 807 CB HIS A 52 1.427 -9.057 8.418 1.00 0.24 C ATOM 808 CG HIS A 52 0.049 -9.074 8.998 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.177 -8.792 10.320 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.131 -9.328 8.390 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.486 -8.883 10.488 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.104 -9.208 9.346 1.00 0.35 N ATOM 0 H HIS A 52 0.986 -7.304 6.500 1.00 0.22 H new ATOM 0 HA HIS A 52 1.983 -7.178 9.265 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.403 -9.526 7.434 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.083 -9.662 9.044 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.278 -9.578 7.350 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.992 -8.716 11.427 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.107 -9.341 9.213 1.00 0.35 H new ATOM 820 N PHE A 53 4.356 -7.472 8.758 1.00 0.25 N ATOM 821 CA PHE A 53 5.770 -7.516 8.470 1.00 0.27 C ATOM 822 C PHE A 53 6.420 -8.680 9.208 1.00 0.31 C ATOM 823 O PHE A 53 6.370 -8.744 10.438 1.00 0.34 O ATOM 824 CB PHE A 53 6.414 -6.193 8.875 1.00 0.24 C ATOM 825 CG PHE A 53 7.701 -5.916 8.172 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.855 -6.246 6.842 1.00 1.13 C ATOM 827 CD2 PHE A 53 8.757 -5.340 8.844 1.00 1.20 C ATOM 828 CE1 PHE A 53 9.048 -6.006 6.192 1.00 1.13 C ATOM 829 CE2 PHE A 53 9.953 -5.099 8.203 1.00 1.23 C ATOM 830 CZ PHE A 53 10.098 -5.433 6.874 1.00 0.34 C ATOM 0 H PHE A 53 4.128 -7.216 9.719 1.00 0.25 H new ATOM 0 HA PHE A 53 5.917 -7.666 7.401 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.716 -5.381 8.671 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.591 -6.199 9.951 1.00 0.24 H new ATOM 0 HD1 PHE A 53 7.034 -6.697 6.304 1.00 1.13 H new ATOM 0 HD2 PHE A 53 8.646 -5.074 9.885 1.00 1.20 H new ATOM 0 HE1 PHE A 53 9.158 -6.267 5.150 1.00 1.13 H new ATOM 0 HE2 PHE A 53 10.775 -4.649 8.741 1.00 1.23 H new ATOM 0 HZ PHE A 53 11.034 -5.246 6.368 1.00 0.34 H new ATOM 840 N PRO A 54 7.028 -9.617 8.465 1.00 0.35 N ATOM 841 CA PRO A 54 7.680 -10.788 9.056 1.00 0.41 C ATOM 842 C PRO A 54 8.864 -10.387 9.932 1.00 0.39 C ATOM 843 O PRO A 54 9.875 -9.874 9.440 1.00 0.37 O ATOM 844 CB PRO A 54 8.149 -11.590 7.834 1.00 0.46 C ATOM 845 CG PRO A 54 8.224 -10.600 6.725 1.00 0.45 C ATOM 846 CD PRO A 54 7.137 -9.606 6.997 1.00 0.39 C ATOM 0 HA PRO A 54 7.015 -11.352 9.710 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.119 -12.053 8.015 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.451 -12.394 7.598 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.200 -10.116 6.698 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.081 -11.083 5.758 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.394 -8.616 6.620 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.200 -9.895 6.522 1.00 0.39 H new ATOM 854 N GLY A 55 8.731 -10.635 11.227 1.00 0.43 N ATOM 855 CA GLY A 55 9.775 -10.291 12.168 1.00 0.46 C ATOM 856 C GLY A 55 10.003 -8.793 12.256 1.00 0.41 C ATOM 857 O GLY A 55 11.128 -8.347 12.481 1.00 0.43 O ATOM 0 H GLY A 55 7.910 -11.073 11.645 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.513 -10.675 13.154 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.703 -10.780 11.872 1.00 0.46 H new ATOM 861 N GLY A 56 8.944 -8.013 12.065 1.00 0.37 N ATOM 862 CA GLY A 56 9.076 -6.573 12.123 1.00 0.34 C ATOM 863 C GLY A 56 7.837 -5.885 12.663 1.00 0.35 C ATOM 864 O GLY A 56 6.975 -6.524 13.267 1.00 0.41 O ATOM 0 H GLY A 56 8.002 -8.352 11.872 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.930 -6.317 12.751 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.290 -6.193 11.124 1.00 0.34 H new ATOM 868 N ARG A 57 7.762 -4.574 12.452 1.00 0.34 N ATOM 869 CA ARG A 57 6.635 -3.769 12.921 1.00 0.38 C ATOM 870 C ARG A 57 5.422 -3.920 12.004 1.00 0.31 C ATOM 871 O ARG A 57 5.561 -4.058 10.791 1.00 0.28 O ATOM 872 CB ARG A 57 7.043 -2.290 13.029 1.00 0.45 C ATOM 873 CG ARG A 57 7.379 -1.635 11.692 1.00 0.43 C ATOM 874 CD ARG A 57 6.249 -0.736 11.216 1.00 0.53 C ATOM 875 NE ARG A 57 6.232 0.538 11.931 1.00 1.58 N ATOM 876 CZ ARG A 57 5.160 1.317 12.046 1.00 2.33 C ATOM 877 NH1 ARG A 57 4.016 0.986 11.462 1.00 2.27 N ATOM 878 NH2 ARG A 57 5.236 2.444 12.735 1.00 3.34 N ATOM 0 H ARG A 57 8.475 -4.041 11.954 1.00 0.34 H new ATOM 0 HA ARG A 57 6.354 -4.132 13.910 1.00 0.38 H new ATOM 0 HB2 ARG A 57 6.232 -1.734 13.500 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.908 -2.210 13.688 1.00 0.45 H new ATOM 0 HG2 ARG A 57 8.294 -1.051 11.791 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.572 -2.406 10.946 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.357 -0.552 10.147 1.00 0.53 H new ATOM 0 HD3 ARG A 57 5.295 -1.245 11.357 1.00 0.53 H new ATOM 0 HE ARG A 57 7.098 0.850 12.370 1.00 1.58 H new ATOM 0 HH11 ARG A 57 3.952 0.126 10.917 1.00 2.27 H new ATOM 0 HH12 ARG A 57 3.201 1.592 11.557 1.00 2.27 H new ATOM 0 HH21 ARG A 57 6.115 2.714 13.176 1.00 3.34 H new ATOM 0 HH22 ARG A 57 4.415 3.043 12.825 1.00 3.34 H new ATOM 892 N THR A 58 4.236 -3.871 12.588 1.00 0.36 N ATOM 893 CA THR A 58 3.003 -4.010 11.829 1.00 0.31 C ATOM 894 C THR A 58 2.323 -2.653 11.637 1.00 0.28 C ATOM 895 O THR A 58 2.615 -1.689 12.349 1.00 0.33 O ATOM 896 CB THR A 58 2.044 -5.001 12.519 1.00 0.35 C ATOM 897 OG1 THR A 58 1.014 -5.423 11.613 1.00 0.34 O ATOM 898 CG2 THR A 58 1.405 -4.381 13.752 1.00 0.39 C ATOM 0 H THR A 58 4.100 -3.735 13.590 1.00 0.36 H new ATOM 0 HA THR A 58 3.258 -4.406 10.846 1.00 0.31 H new ATOM 0 HB THR A 58 2.634 -5.865 12.825 1.00 0.35 H new ATOM 0 HG1 THR A 58 1.293 -5.238 10.692 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.734 -5.104 14.217 1.00 0.39 H new ATOM 0 HG22 THR A 58 2.183 -4.099 14.462 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.840 -3.495 13.462 1.00 0.39 H new ATOM 906 N THR A 59 1.443 -2.579 10.651 1.00 0.25 N ATOM 907 CA THR A 59 0.718 -1.353 10.350 1.00 0.27 C ATOM 908 C THR A 59 -0.702 -1.683 9.896 1.00 0.24 C ATOM 909 O THR A 59 -0.900 -2.568 9.067 1.00 0.36 O ATOM 910 CB THR A 59 1.443 -0.550 9.246 1.00 0.32 C ATOM 911 OG1 THR A 59 2.850 -0.830 9.292 1.00 0.49 O ATOM 912 CG2 THR A 59 1.214 0.946 9.409 1.00 0.48 C ATOM 0 H THR A 59 1.211 -3.362 10.039 1.00 0.25 H new ATOM 0 HA THR A 59 0.676 -0.747 11.255 1.00 0.27 H new ATOM 0 HB THR A 59 1.035 -0.853 8.282 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.327 -0.208 8.703 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.737 1.483 8.617 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.147 1.159 9.348 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.594 1.269 10.378 1.00 0.48 H new ATOM 920 N THR A 60 -1.688 -1.004 10.459 1.00 0.26 N ATOM 921 CA THR A 60 -3.077 -1.239 10.103 1.00 0.23 C ATOM 922 C THR A 60 -3.824 0.082 9.954 1.00 0.22 C ATOM 923 O THR A 60 -3.938 0.850 10.908 1.00 0.26 O ATOM 924 CB THR A 60 -3.779 -2.104 11.171 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.894 -3.145 11.609 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.060 -2.717 10.620 1.00 0.24 C ATOM 0 H THR A 60 -1.551 -0.283 11.167 1.00 0.26 H new ATOM 0 HA THR A 60 -3.090 -1.769 9.151 1.00 0.23 H new ATOM 0 HB THR A 60 -4.039 -1.465 12.015 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.342 -3.691 12.288 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.535 -3.322 11.392 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.740 -1.923 10.311 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.823 -3.346 9.762 1.00 0.24 H new ATOM 934 N ASN A 61 -4.321 0.345 8.756 1.00 0.25 N ATOM 935 CA ASN A 61 -5.056 1.573 8.490 1.00 0.26 C ATOM 936 C ASN A 61 -6.379 1.264 7.821 1.00 0.29 C ATOM 937 O ASN A 61 -6.430 0.579 6.802 1.00 0.51 O ATOM 938 CB ASN A 61 -4.251 2.527 7.600 1.00 0.36 C ATOM 939 CG ASN A 61 -2.818 2.715 8.057 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.541 3.482 8.975 1.00 1.43 O ATOM 941 ND2 ASN A 61 -1.890 2.028 7.405 1.00 1.72 N ATOM 0 H ASN A 61 -4.229 -0.275 7.951 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.235 2.059 9.449 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.251 2.146 6.579 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -4.747 3.497 7.578 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -0.908 2.127 7.661 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -2.158 1.400 6.647 1.00 1.72 H new ATOM 948 N SER A 62 -7.443 1.773 8.402 1.00 0.21 N ATOM 949 CA SER A 62 -8.776 1.571 7.876 1.00 0.25 C ATOM 950 C SER A 62 -9.297 2.890 7.319 1.00 0.23 C ATOM 951 O SER A 62 -9.184 3.932 7.968 1.00 0.29 O ATOM 952 CB SER A 62 -9.665 1.040 8.992 1.00 0.34 C ATOM 953 OG SER A 62 -9.139 -0.167 9.512 1.00 1.04 O ATOM 0 H SER A 62 -7.409 2.338 9.251 1.00 0.21 H new ATOM 0 HA SER A 62 -8.771 0.843 7.065 1.00 0.25 H new ATOM 0 HB2 SER A 62 -9.743 1.782 9.787 1.00 0.34 H new ATOM 0 HB3 SER A 62 -10.673 0.871 8.613 1.00 0.34 H new ATOM 0 HG SER A 62 -9.603 -0.394 10.345 1.00 1.04 H new ATOM 959 N PHE A 63 -9.856 2.858 6.122 1.00 0.18 N ATOM 960 CA PHE A 63 -10.339 4.071 5.488 1.00 0.17 C ATOM 961 C PHE A 63 -11.734 3.895 4.908 1.00 0.18 C ATOM 962 O PHE A 63 -12.088 2.822 4.416 1.00 0.24 O ATOM 963 CB PHE A 63 -9.370 4.486 4.377 1.00 0.17 C ATOM 964 CG PHE A 63 -9.202 3.425 3.325 1.00 0.18 C ATOM 965 CD1 PHE A 63 -8.283 2.402 3.494 1.00 0.86 C ATOM 966 CD2 PHE A 63 -9.978 3.440 2.177 1.00 0.88 C ATOM 967 CE1 PHE A 63 -8.140 1.417 2.538 1.00 0.88 C ATOM 968 CE2 PHE A 63 -9.839 2.457 1.220 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.918 1.443 1.399 1.00 0.23 C ATOM 0 H PHE A 63 -9.986 2.009 5.572 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.394 4.847 6.252 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.732 5.402 3.909 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.398 4.714 4.815 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -7.672 2.375 4.384 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -10.699 4.230 2.030 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -7.419 0.626 2.682 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -10.450 2.480 0.330 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.807 0.673 0.650 1.00 0.23 H new ATOM 979 N THR A 64 -12.515 4.956 4.966 1.00 0.17 N ATOM 980 CA THR A 64 -13.855 4.944 4.426 1.00 0.19 C ATOM 981 C THR A 64 -13.897 5.771 3.146 1.00 0.18 C ATOM 982 O THR A 64 -13.409 6.901 3.118 1.00 0.19 O ATOM 983 CB THR A 64 -14.865 5.502 5.447 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.910 4.658 6.604 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.258 5.624 4.845 1.00 0.22 C ATOM 0 H THR A 64 -12.239 5.843 5.386 1.00 0.17 H new ATOM 0 HA THR A 64 -14.131 3.913 4.204 1.00 0.19 H new ATOM 0 HB THR A 64 -14.532 6.499 5.734 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.061 4.176 6.691 1.00 0.25 H new ATOM 0 HG21 THR A 64 -16.944 6.021 5.593 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.226 6.297 3.988 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.602 4.642 4.522 1.00 0.22 H new ATOM 993 N ILE A 65 -14.425 5.186 2.077 1.00 0.18 N ATOM 994 CA ILE A 65 -14.536 5.883 0.804 1.00 0.18 C ATOM 995 C ILE A 65 -15.303 7.198 0.967 1.00 0.21 C ATOM 996 O ILE A 65 -16.398 7.225 1.535 1.00 0.24 O ATOM 997 CB ILE A 65 -15.231 5.002 -0.256 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.511 3.655 -0.389 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.280 5.715 -1.598 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.056 3.765 -0.803 1.00 0.19 C ATOM 0 H ILE A 65 -14.783 4.231 2.068 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.524 6.104 0.464 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.254 4.816 0.070 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.567 3.130 0.565 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.040 3.044 -1.120 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.774 5.077 -2.331 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.836 6.647 -1.495 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.265 5.933 -1.931 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.621 2.768 -0.874 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.990 4.259 -1.772 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.510 4.347 -0.061 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.678 8.280 0.493 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.224 9.641 0.554 1.00 0.23 C ATOM 1014 C ASP A 66 -15.125 10.198 1.974 1.00 0.23 C ATOM 1015 O ASP A 66 -15.844 11.124 2.350 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.675 9.691 0.048 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.095 11.084 -0.384 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.524 11.602 -1.368 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -18.011 11.660 0.245 1.00 1.10 O ATOM 0 H ASP A 66 -13.761 8.235 0.048 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.625 10.268 -0.106 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.787 9.005 -0.792 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.343 9.342 0.836 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.221 9.627 2.755 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.005 10.042 4.131 1.00 0.22 C ATOM 1026 C LYS A 67 -12.512 10.118 4.429 1.00 0.21 C ATOM 1027 O LYS A 67 -11.735 9.290 3.948 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.693 9.052 5.076 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.245 9.143 6.529 1.00 0.25 C ATOM 1030 CD LYS A 67 -14.643 10.462 7.169 1.00 0.35 C ATOM 1031 CE LYS A 67 -13.970 10.640 8.523 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.605 9.808 9.578 1.00 1.59 N ATOM 0 H LYS A 67 -13.617 8.863 2.452 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.434 11.033 4.282 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.770 9.216 5.031 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.509 8.040 4.716 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.682 8.320 7.095 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.162 9.027 6.582 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.367 11.286 6.511 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -15.726 10.499 7.290 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -12.916 10.377 8.440 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -14.015 11.689 8.814 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.115 9.961 10.482 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -15.605 10.076 9.676 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -14.540 8.804 9.314 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.105 11.128 5.192 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.707 11.275 5.568 1.00 0.26 C ATOM 1048 C GLU A 68 -10.365 10.270 6.659 1.00 0.23 C ATOM 1049 O GLU A 68 -10.988 10.253 7.723 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.402 12.699 6.051 1.00 0.34 C ATOM 1051 CG GLU A 68 -8.997 12.851 6.618 1.00 1.35 C ATOM 1052 CD GLU A 68 -8.631 14.285 6.935 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -8.449 15.079 5.988 1.00 2.51 O ATOM 1054 OE2 GLU A 68 -8.507 14.622 8.129 1.00 2.55 O ATOM 0 H GLU A 68 -12.722 11.853 5.559 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.094 11.085 4.687 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -10.529 13.393 5.220 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.127 12.980 6.814 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -8.912 12.253 7.525 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -8.279 12.450 5.903 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.376 9.436 6.396 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.971 8.423 7.349 1.00 0.18 C ATOM 1063 C ALA A 69 -7.591 8.717 7.910 1.00 0.21 C ATOM 1064 O ALA A 69 -6.806 9.444 7.301 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.985 7.055 6.693 1.00 0.18 C ATOM 0 H ALA A 69 -8.839 9.441 5.529 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.682 8.433 8.175 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.679 6.301 7.418 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.992 6.831 6.339 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.295 7.049 5.850 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.304 8.141 9.066 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.016 8.313 9.711 1.00 0.24 C ATOM 1073 C ASP A 70 -5.106 7.202 9.246 1.00 0.22 C ATOM 1074 O ASP A 70 -5.402 6.024 9.449 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.150 8.276 11.232 1.00 0.31 C ATOM 1076 CG ASP A 70 -6.997 9.409 11.769 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -8.240 9.344 11.632 1.00 1.87 O ATOM 1078 OD2 ASP A 70 -6.434 10.367 12.333 1.00 1.95 O ATOM 0 H ASP A 70 -7.953 7.545 9.579 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.604 9.285 9.442 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.590 7.325 11.531 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.158 8.324 11.682 1.00 0.31 H new ATOM 1083 N MET A 71 -4.012 7.560 8.606 1.00 0.20 N ATOM 1084 CA MET A 71 -3.100 6.561 8.092 1.00 0.20 C ATOM 1085 C MET A 71 -1.696 6.722 8.650 1.00 0.22 C ATOM 1086 O MET A 71 -1.336 7.764 9.209 1.00 0.26 O ATOM 1087 CB MET A 71 -3.047 6.634 6.575 1.00 0.22 C ATOM 1088 CG MET A 71 -4.410 6.611 5.932 1.00 0.19 C ATOM 1089 SD MET A 71 -4.456 7.546 4.401 1.00 0.20 S ATOM 1090 CE MET A 71 -6.218 7.734 4.247 1.00 0.20 C ATOM 0 H MET A 71 -3.735 8.526 8.431 1.00 0.20 H new ATOM 0 HA MET A 71 -3.478 5.589 8.409 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.528 7.546 6.279 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.460 5.797 6.198 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.698 5.579 5.734 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.144 7.019 6.627 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.455 8.154 3.269 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.698 6.761 4.350 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.582 8.403 5.027 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.924 5.664 8.509 1.00 0.24 N ATOM 1101 CA GLU A 72 0.451 5.630 8.941 1.00 0.25 C ATOM 1102 C GLU A 72 1.212 4.683 8.031 1.00 0.26 C ATOM 1103 O GLU A 72 0.673 3.662 7.595 1.00 0.29 O ATOM 1104 CB GLU A 72 0.562 5.162 10.398 1.00 0.28 C ATOM 1105 CG GLU A 72 1.963 4.716 10.787 1.00 0.30 C ATOM 1106 CD GLU A 72 2.028 4.103 12.165 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.791 4.826 13.155 1.00 1.32 O ATOM 1108 OE2 GLU A 72 2.328 2.898 12.268 1.00 1.47 O ATOM 0 H GLU A 72 -1.242 4.793 8.084 1.00 0.24 H new ATOM 0 HA GLU A 72 0.872 6.634 8.885 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.252 5.973 11.056 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.132 4.337 10.560 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.323 3.992 10.056 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.635 5.573 10.745 1.00 0.30 H new ATOM 1115 N THR A 73 2.439 5.028 7.715 1.00 0.26 N ATOM 1116 CA THR A 73 3.253 4.186 6.867 1.00 0.28 C ATOM 1117 C THR A 73 4.170 3.338 7.721 1.00 0.30 C ATOM 1118 O THR A 73 4.222 3.505 8.942 1.00 0.36 O ATOM 1119 CB THR A 73 4.104 5.013 5.894 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.152 5.678 6.613 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.250 6.040 5.179 1.00 0.32 C ATOM 0 H THR A 73 2.895 5.884 8.031 1.00 0.26 H new ATOM 0 HA THR A 73 2.581 3.555 6.286 1.00 0.28 H new ATOM 0 HB THR A 73 4.537 4.340 5.153 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.865 5.932 5.991 1.00 0.28 H new ATOM 0 HG21 THR A 73 3.871 6.616 4.494 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.465 5.533 4.618 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.798 6.710 5.910 1.00 0.32 H new ATOM 1129 N MET A 74 4.911 2.446 7.087 1.00 0.32 N ATOM 1130 CA MET A 74 5.843 1.600 7.810 1.00 0.34 C ATOM 1131 C MET A 74 7.056 2.423 8.226 1.00 0.31 C ATOM 1132 O MET A 74 7.875 1.985 9.031 1.00 0.37 O ATOM 1133 CB MET A 74 6.288 0.414 6.960 1.00 0.42 C ATOM 1134 CG MET A 74 5.387 -0.803 7.059 1.00 0.76 C ATOM 1135 SD MET A 74 6.014 -2.196 6.095 1.00 0.93 S ATOM 1136 CE MET A 74 4.897 -3.495 6.611 1.00 1.05 C ATOM 0 H MET A 74 4.886 2.290 6.079 1.00 0.32 H new ATOM 0 HA MET A 74 5.339 1.210 8.694 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.339 0.729 5.918 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.297 0.129 7.257 1.00 0.42 H new ATOM 0 HG2 MET A 74 5.293 -1.099 8.104 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.388 -0.543 6.710 1.00 0.76 H new ATOM 0 HE1 MET A 74 5.443 -4.436 6.686 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.471 -3.244 7.582 1.00 1.05 H new ATOM 0 HE3 MET A 74 4.096 -3.598 5.879 1.00 1.05 H new ATOM 1146 N GLY A 75 7.162 3.617 7.654 1.00 0.28 N ATOM 1147 CA GLY A 75 8.249 4.506 7.977 1.00 0.31 C ATOM 1148 C GLY A 75 7.966 5.277 9.253 1.00 0.35 C ATOM 1149 O GLY A 75 8.847 5.938 9.800 1.00 0.48 O ATOM 0 H GLY A 75 6.504 3.983 6.966 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.169 3.933 8.092 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.408 5.204 7.155 1.00 0.31 H new ATOM 1153 N GLY A 76 6.725 5.181 9.729 1.00 0.34 N ATOM 1154 CA GLY A 76 6.329 5.866 10.947 1.00 0.39 C ATOM 1155 C GLY A 76 5.715 7.226 10.684 1.00 0.38 C ATOM 1156 O GLY A 76 5.681 8.075 11.572 1.00 0.48 O ATOM 0 H GLY A 76 5.983 4.637 9.288 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.613 5.248 11.489 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.200 5.984 11.591 1.00 0.39 H new ATOM 1160 N ARG A 77 5.228 7.437 9.471 1.00 0.38 N ATOM 1161 CA ARG A 77 4.621 8.710 9.103 1.00 0.38 C ATOM 1162 C ARG A 77 3.172 8.779 9.565 1.00 0.37 C ATOM 1163 O ARG A 77 2.371 7.912 9.228 1.00 0.36 O ATOM 1164 CB ARG A 77 4.674 8.909 7.589 1.00 0.37 C ATOM 1165 CG ARG A 77 6.029 8.630 6.978 1.00 0.39 C ATOM 1166 CD ARG A 77 5.956 8.616 5.466 1.00 0.43 C ATOM 1167 NE ARG A 77 6.341 9.900 4.890 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.301 10.053 3.979 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.014 9.011 3.577 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.564 11.258 3.491 1.00 0.85 N ATOM 0 H ARG A 77 5.241 6.744 8.723 1.00 0.38 H new ATOM 0 HA ARG A 77 5.188 9.500 9.595 1.00 0.38 H new ATOM 0 HB2 ARG A 77 3.935 8.258 7.121 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.387 9.935 7.358 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.741 9.389 7.303 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.401 7.670 7.336 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.609 7.834 5.078 1.00 0.43 H new ATOM 0 HD3 ARG A 77 4.942 8.368 5.154 1.00 0.43 H new ATOM 0 HE ARG A 77 5.844 10.733 5.205 1.00 0.52 H new ATOM 0 HH11 ARG A 77 7.829 8.086 3.965 1.00 0.80 H new ATOM 0 HH12 ARG A 77 8.748 9.134 2.879 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.032 12.066 3.813 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.299 11.377 2.793 1.00 0.85 H new ATOM 1184 N LYS A 78 2.841 9.801 10.338 1.00 0.42 N ATOM 1185 CA LYS A 78 1.477 9.986 10.824 1.00 0.43 C ATOM 1186 C LYS A 78 0.763 11.006 9.944 1.00 0.39 C ATOM 1187 O LYS A 78 1.220 12.144 9.819 1.00 0.44 O ATOM 1188 CB LYS A 78 1.486 10.480 12.271 1.00 0.57 C ATOM 1189 CG LYS A 78 2.534 9.809 13.145 1.00 0.75 C ATOM 1190 CD LYS A 78 2.129 8.397 13.536 1.00 1.12 C ATOM 1191 CE LYS A 78 3.259 7.672 14.256 1.00 1.69 C ATOM 1192 NZ LYS A 78 2.776 6.462 14.984 1.00 1.76 N ATOM 0 H LYS A 78 3.498 10.518 10.645 1.00 0.42 H new ATOM 0 HA LYS A 78 0.955 9.030 10.784 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.658 11.556 12.276 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.502 10.313 12.708 1.00 0.57 H new ATOM 0 HG2 LYS A 78 3.485 9.779 12.613 1.00 0.75 H new ATOM 0 HG3 LYS A 78 2.691 10.404 14.045 1.00 0.75 H new ATOM 0 HD2 LYS A 78 1.250 8.434 14.180 1.00 1.12 H new ATOM 0 HD3 LYS A 78 1.847 7.838 12.644 1.00 1.12 H new ATOM 0 HE2 LYS A 78 4.020 7.380 13.533 1.00 1.69 H new ATOM 0 HE3 LYS A 78 3.735 8.353 14.962 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 3.476 6.187 15.703 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 1.869 6.674 15.447 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 2.646 5.680 14.310 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.356 10.620 9.340 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.073 11.536 8.458 1.00 0.31 C ATOM 1208 C PHE A 79 -2.523 11.118 8.238 1.00 0.28 C ATOM 1209 O PHE A 79 -2.961 10.072 8.709 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.349 11.601 7.109 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.283 10.274 6.405 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.725 9.375 6.704 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.232 9.919 5.458 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.788 8.149 6.079 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.176 8.690 4.830 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.166 7.801 5.139 1.00 0.26 C ATOM 0 H PHE A 79 -0.780 9.698 9.441 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.088 12.515 8.937 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.856 12.321 6.466 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.664 11.972 7.266 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.473 9.638 7.437 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -2.023 10.611 5.209 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.582 7.459 6.323 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.923 8.424 4.097 1.00 1.16 H new ATOM 0 HZ PHE A 79 -0.121 6.839 4.650 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.261 11.962 7.530 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.653 11.697 7.198 1.00 0.33 C ATOM 1228 C LYS A 80 -4.899 12.048 5.738 1.00 0.27 C ATOM 1229 O LYS A 80 -4.277 12.969 5.211 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.592 12.508 8.092 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.527 12.112 9.557 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.094 13.275 10.441 1.00 0.81 C ATOM 1233 CE LYS A 80 -6.283 14.054 10.989 1.00 1.64 C ATOM 1234 NZ LYS A 80 -6.754 15.112 10.051 1.00 2.55 N ATOM 0 H LYS A 80 -2.911 12.850 7.170 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.856 10.639 7.363 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.346 13.566 7.999 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.615 12.386 7.736 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.505 11.755 9.880 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -4.829 11.284 9.679 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -4.496 12.896 11.270 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.455 13.946 9.868 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -7.102 13.364 11.194 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -6.007 14.512 11.939 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -7.163 15.899 10.593 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -5.951 15.459 9.488 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -7.476 14.716 9.416 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.791 11.315 5.085 1.00 0.24 N ATOM 1249 CA ALA A 81 -6.094 11.563 3.681 1.00 0.20 C ATOM 1250 C ALA A 81 -7.501 11.105 3.318 1.00 0.19 C ATOM 1251 O ALA A 81 -8.102 10.287 4.018 1.00 0.19 O ATOM 1252 CB ALA A 81 -5.070 10.865 2.796 1.00 0.21 C ATOM 0 H ALA A 81 -6.316 10.547 5.503 1.00 0.24 H new ATOM 0 HA ALA A 81 -6.044 12.639 3.514 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.304 11.056 1.749 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -4.074 11.247 3.021 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -5.098 9.792 2.984 1.00 0.21 H new ATOM 1258 N THR A 82 -8.024 11.647 2.226 1.00 0.19 N ATOM 1259 CA THR A 82 -9.352 11.282 1.750 1.00 0.19 C ATOM 1260 C THR A 82 -9.234 10.259 0.626 1.00 0.20 C ATOM 1261 O THR A 82 -8.548 10.496 -0.371 1.00 0.28 O ATOM 1262 CB THR A 82 -10.132 12.511 1.236 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.676 13.699 1.901 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.625 12.335 1.472 1.00 0.25 C ATOM 0 H THR A 82 -7.548 12.343 1.652 1.00 0.19 H new ATOM 0 HA THR A 82 -9.899 10.857 2.592 1.00 0.19 H new ATOM 0 HB THR A 82 -9.954 12.606 0.165 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.176 14.473 1.567 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.158 13.212 1.103 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.975 11.449 0.943 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.813 12.219 2.539 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.882 9.122 0.791 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.829 8.075 -0.207 1.00 0.15 C ATOM 1274 C VAL A 83 -11.172 7.936 -0.904 1.00 0.16 C ATOM 1275 O VAL A 83 -12.211 7.996 -0.261 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.444 6.725 0.427 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.359 5.641 -0.631 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.128 6.844 1.178 1.00 0.19 C ATOM 0 H VAL A 83 -10.451 8.901 1.608 1.00 0.15 H new ATOM 0 HA VAL A 83 -9.068 8.353 -0.936 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.222 6.447 1.138 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.086 4.696 -0.162 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.326 5.536 -1.123 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.604 5.911 -1.369 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -7.872 5.881 1.619 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.341 7.147 0.487 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.225 7.590 1.967 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.147 7.759 -2.214 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.368 7.609 -2.992 1.00 0.19 C ATOM 1290 C LYS A 84 -12.284 6.348 -3.850 1.00 0.19 C ATOM 1291 O LYS A 84 -11.291 5.623 -3.798 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.599 8.852 -3.861 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.401 9.212 -4.721 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.386 10.683 -5.107 1.00 0.42 C ATOM 1295 CE LYS A 84 -10.028 11.091 -5.669 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.768 12.554 -5.514 1.00 1.14 N ATOM 0 H LYS A 84 -10.290 7.715 -2.765 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.216 7.509 -2.315 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.462 8.682 -4.505 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.843 9.697 -3.217 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.485 8.971 -4.182 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.409 8.602 -5.624 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.162 10.875 -5.848 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.620 11.293 -4.235 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.244 10.529 -5.162 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.979 10.825 -6.725 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -8.834 12.785 -5.910 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.501 13.092 -6.019 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -9.788 12.805 -4.505 1.00 1.14 H new ATOM 1310 N MET A 85 -13.317 6.081 -4.632 1.00 0.21 N ATOM 1311 CA MET A 85 -13.334 4.901 -5.476 1.00 0.22 C ATOM 1312 C MET A 85 -13.726 5.268 -6.897 1.00 0.28 C ATOM 1313 O MET A 85 -14.707 5.980 -7.110 1.00 0.41 O ATOM 1314 CB MET A 85 -14.310 3.865 -4.917 1.00 0.23 C ATOM 1315 CG MET A 85 -13.653 2.573 -4.472 1.00 0.21 C ATOM 1316 SD MET A 85 -14.854 1.370 -3.878 1.00 0.26 S ATOM 1317 CE MET A 85 -13.800 0.292 -2.924 1.00 0.25 C ATOM 0 H MET A 85 -14.151 6.664 -4.699 1.00 0.21 H new ATOM 0 HA MET A 85 -12.332 4.473 -5.489 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.840 4.301 -4.070 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.057 3.637 -5.678 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.094 2.146 -5.305 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.933 2.787 -3.682 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.400 -0.499 -2.474 1.00 0.25 H new ATOM 0 HE2 MET A 85 -13.047 -0.150 -3.576 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.308 0.866 -2.139 1.00 0.25 H new ATOM 1327 N GLU A 86 -12.957 4.792 -7.866 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.245 5.072 -9.262 1.00 0.32 C ATOM 1329 C GLU A 86 -13.522 3.785 -10.038 1.00 0.29 C ATOM 1330 O GLU A 86 -12.602 3.138 -10.542 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.102 5.855 -9.918 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.715 5.344 -9.561 1.00 1.22 C ATOM 1333 CD GLU A 86 -9.784 5.276 -10.757 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -9.814 6.197 -11.601 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -9.016 4.298 -10.861 1.00 2.46 O ATOM 0 H GLU A 86 -12.132 4.212 -7.710 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.143 5.689 -9.292 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -12.224 5.817 -11.000 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.178 6.902 -9.625 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -10.278 5.994 -8.803 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.802 4.352 -9.118 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.793 3.410 -10.107 1.00 0.37 N ATOM 1343 CA GLY A 87 -15.191 2.216 -10.834 1.00 0.46 C ATOM 1344 C GLY A 87 -14.581 0.936 -10.276 1.00 0.38 C ATOM 1345 O GLY A 87 -13.958 0.170 -11.014 1.00 0.36 O ATOM 0 H GLY A 87 -15.563 3.916 -9.669 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -16.277 2.132 -10.812 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.901 2.322 -11.879 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.753 0.704 -8.977 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.213 -0.498 -8.355 1.00 0.33 C ATOM 1351 C GLY A 88 -12.714 -0.434 -8.135 1.00 0.27 C ATOM 1352 O GLY A 88 -12.061 -1.463 -7.957 1.00 0.32 O ATOM 0 H GLY A 88 -15.256 1.325 -8.343 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.708 -0.657 -7.397 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.446 -1.359 -8.981 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.165 0.769 -8.162 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.736 0.968 -7.952 1.00 0.19 C ATOM 1358 C LYS A 89 -10.533 1.998 -6.852 1.00 0.17 C ATOM 1359 O LYS A 89 -10.941 3.150 -6.996 1.00 0.20 O ATOM 1360 CB LYS A 89 -10.055 1.438 -9.243 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.436 0.636 -10.467 1.00 0.28 C ATOM 1362 CD LYS A 89 -10.121 1.380 -11.761 1.00 0.52 C ATOM 1363 CE LYS A 89 -8.686 1.163 -12.218 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.731 2.075 -11.540 1.00 1.76 N ATOM 0 H LYS A 89 -12.689 1.628 -8.328 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.286 0.020 -7.658 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.307 2.485 -9.414 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.974 1.388 -9.110 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -9.903 -0.315 -10.457 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.501 0.405 -10.432 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -10.803 1.048 -12.544 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -10.297 2.446 -11.616 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -8.398 0.130 -12.023 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -8.624 1.313 -13.296 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -7.199 2.613 -12.253 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -8.254 2.734 -10.929 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.069 1.518 -10.962 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.938 1.581 -5.748 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.698 2.484 -4.632 1.00 0.16 C ATOM 1380 C ILE A 90 -8.561 3.443 -4.961 1.00 0.17 C ATOM 1381 O ILE A 90 -7.429 3.017 -5.179 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.361 1.731 -3.331 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.361 0.594 -3.099 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.367 2.698 -2.163 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.467 0.144 -1.651 1.00 0.20 C ATOM 0 H ILE A 90 -9.612 0.626 -5.599 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.623 3.038 -4.472 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.366 1.294 -3.419 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.345 0.915 -3.441 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -10.073 -0.259 -3.713 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.128 2.161 -1.245 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.623 3.477 -2.332 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.354 3.152 -2.072 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.195 -0.663 -1.573 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.495 -0.210 -1.308 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.787 0.982 -1.032 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.870 4.730 -5.004 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.877 5.742 -5.312 1.00 0.17 C ATOM 1399 C VAL A 91 -7.686 6.708 -4.143 1.00 0.16 C ATOM 1400 O VAL A 91 -8.649 7.245 -3.587 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.274 6.532 -6.582 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.704 7.027 -6.488 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -7.322 7.693 -6.836 1.00 0.25 C ATOM 0 H VAL A 91 -9.805 5.097 -4.828 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.933 5.227 -5.493 1.00 0.17 H new ATOM 0 HB VAL A 91 -8.201 5.849 -7.428 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.958 7.579 -7.393 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.377 6.176 -6.381 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.806 7.682 -5.623 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.630 8.226 -7.735 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -7.343 8.374 -5.985 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -6.310 7.311 -6.970 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.435 6.908 -3.764 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.098 7.820 -2.689 1.00 0.19 C ATOM 1415 C ALA A 92 -5.288 8.985 -3.236 1.00 0.20 C ATOM 1416 O ALA A 92 -4.390 8.795 -4.063 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.332 7.096 -1.599 1.00 0.22 C ATOM 0 H ALA A 92 -5.632 6.446 -4.190 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.018 8.209 -2.252 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -5.087 7.796 -0.800 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.945 6.288 -1.199 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.413 6.683 -2.014 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.604 10.187 -2.777 1.00 0.22 N ATOM 1424 CA ASP A 93 -4.920 11.388 -3.243 1.00 0.26 C ATOM 1425 C ASP A 93 -3.920 11.892 -2.210 1.00 0.22 C ATOM 1426 O ASP A 93 -4.274 12.157 -1.060 1.00 0.23 O ATOM 1427 CB ASP A 93 -5.941 12.478 -3.554 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.309 13.838 -3.784 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -4.560 13.996 -4.771 1.00 1.19 O ATOM 1430 OD2 ASP A 93 -5.588 14.763 -2.994 1.00 0.88 O ATOM 0 H ASP A 93 -6.330 10.358 -2.082 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.370 11.135 -4.149 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -6.509 12.193 -4.440 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.651 12.549 -2.730 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.671 12.016 -2.635 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.597 12.484 -1.772 1.00 0.21 C ATOM 1437 C PHE A 94 -0.708 13.467 -2.528 1.00 0.24 C ATOM 1438 O PHE A 94 -0.664 13.446 -3.759 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.761 11.295 -1.284 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.478 10.410 -0.313 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.477 10.701 1.039 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.160 9.290 -0.754 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -2.145 9.890 1.933 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.828 8.479 0.137 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.820 8.779 1.480 1.00 0.25 C ATOM 0 H PHE A 94 -2.374 11.795 -3.586 1.00 0.22 H new ATOM 0 HA PHE A 94 -2.033 12.990 -0.911 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.454 10.701 -2.145 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.149 11.670 -0.816 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.948 11.571 1.398 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.169 9.049 -1.807 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -2.138 10.126 2.987 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.358 7.608 -0.219 1.00 1.27 H new ATOM 0 HZ PHE A 94 -3.343 8.143 2.179 1.00 0.25 H new ATOM 1455 N PRO A 95 0.008 14.345 -1.804 1.00 0.26 N ATOM 1456 CA PRO A 95 0.902 15.324 -2.427 1.00 0.29 C ATOM 1457 C PRO A 95 2.045 14.651 -3.188 1.00 0.26 C ATOM 1458 O PRO A 95 2.914 14.016 -2.587 1.00 0.27 O ATOM 1459 CB PRO A 95 1.444 16.129 -1.241 1.00 0.36 C ATOM 1460 CG PRO A 95 1.199 15.293 -0.033 1.00 0.32 C ATOM 1461 CD PRO A 95 -0.018 14.466 -0.335 1.00 0.28 C ATOM 0 HA PRO A 95 0.386 15.938 -3.165 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.507 16.336 -1.363 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.939 17.091 -1.159 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.058 14.657 0.181 1.00 0.32 H new ATOM 0 HG3 PRO A 95 1.037 15.917 0.846 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.028 13.491 0.150 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.930 14.951 0.012 1.00 0.28 H new ATOM 1469 N ASN A 96 2.027 14.805 -4.512 1.00 0.27 N ATOM 1470 CA ASN A 96 3.034 14.218 -5.402 1.00 0.29 C ATOM 1471 C ASN A 96 3.074 12.695 -5.277 1.00 0.28 C ATOM 1472 O ASN A 96 4.065 12.058 -5.637 1.00 0.37 O ATOM 1473 CB ASN A 96 4.415 14.817 -5.123 1.00 0.35 C ATOM 1474 CG ASN A 96 4.820 15.837 -6.164 1.00 0.77 C ATOM 1475 OD1 ASN A 96 3.976 16.509 -6.750 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.114 15.953 -6.408 1.00 1.50 N ATOM 0 H ASN A 96 1.311 15.342 -5.001 1.00 0.27 H new ATOM 0 HA ASN A 96 2.750 14.459 -6.426 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.413 15.287 -4.139 1.00 0.35 H new ATOM 0 HB3 ASN A 96 5.156 14.018 -5.093 1.00 0.35 H new ATOM 0 HD21 ASN A 96 6.444 16.620 -7.106 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.783 15.375 -5.899 1.00 1.50 H new ATOM 1483 N TYR A 97 1.981 12.126 -4.783 1.00 0.23 N ATOM 1484 CA TYR A 97 1.864 10.684 -4.592 1.00 0.21 C ATOM 1485 C TYR A 97 0.459 10.223 -4.960 1.00 0.21 C ATOM 1486 O TYR A 97 -0.533 10.732 -4.446 1.00 0.24 O ATOM 1487 CB TYR A 97 2.183 10.339 -3.133 1.00 0.22 C ATOM 1488 CG TYR A 97 2.523 8.888 -2.886 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.582 7.885 -3.078 1.00 1.14 C ATOM 1490 CD2 TYR A 97 3.787 8.529 -2.445 1.00 1.28 C ATOM 1491 CE1 TYR A 97 1.892 6.564 -2.838 1.00 1.14 C ATOM 1492 CE2 TYR A 97 4.106 7.209 -2.204 1.00 1.31 C ATOM 1493 CZ TYR A 97 3.154 6.230 -2.402 1.00 0.32 C ATOM 1494 OH TYR A 97 3.464 4.913 -2.160 1.00 0.38 O ATOM 0 H TYR A 97 1.151 12.650 -4.504 1.00 0.23 H new ATOM 0 HA TYR A 97 2.573 10.169 -5.240 1.00 0.21 H new ATOM 0 HB2 TYR A 97 3.019 10.955 -2.803 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.326 10.607 -2.515 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.591 8.144 -3.421 1.00 1.14 H new ATOM 0 HD2 TYR A 97 4.533 9.294 -2.288 1.00 1.28 H new ATOM 0 HE1 TYR A 97 1.149 5.795 -2.991 1.00 1.14 H new ATOM 0 HE2 TYR A 97 5.095 6.943 -1.862 1.00 1.31 H new ATOM 0 HH TYR A 97 2.639 4.386 -2.110 1.00 0.38 H new ATOM 1504 N HIS A 98 0.380 9.266 -5.863 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.900 8.743 -6.302 1.00 0.22 C ATOM 1506 C HIS A 98 -0.948 7.238 -6.093 1.00 0.21 C ATOM 1507 O HIS A 98 -0.115 6.514 -6.630 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.122 9.084 -7.773 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.560 9.085 -8.171 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.444 10.065 -7.784 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.269 8.218 -8.928 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.635 9.800 -8.278 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.562 8.685 -8.982 1.00 1.09 N ATOM 0 H HIS A 98 1.189 8.833 -6.309 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.694 9.200 -5.712 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.695 10.065 -7.979 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.582 8.366 -8.390 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.891 7.325 -9.402 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.524 10.395 -8.132 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.334 8.244 -9.482 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.919 6.778 -5.315 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.057 5.357 -5.024 1.00 0.22 C ATOM 1524 C HIS A 99 -3.423 4.840 -5.458 1.00 0.21 C ATOM 1525 O HIS A 99 -4.457 5.355 -5.024 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.859 5.113 -3.525 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.651 3.674 -3.156 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.395 3.174 -2.903 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.563 2.679 -3.002 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.569 1.898 -2.603 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.859 1.555 -2.651 1.00 0.49 N ATOM 0 H HIS A 99 -2.623 7.369 -4.874 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.294 4.816 -5.584 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.000 5.691 -3.185 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.730 5.491 -2.989 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.632 2.757 -3.131 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.232 1.218 -2.351 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -2.248 0.631 -2.462 1.00 0.49 H new ATOM 1539 N THR A 100 -3.420 3.842 -6.328 1.00 0.22 N ATOM 1540 CA THR A 100 -4.652 3.236 -6.805 1.00 0.22 C ATOM 1541 C THR A 100 -4.594 1.718 -6.652 1.00 0.23 C ATOM 1542 O THR A 100 -3.600 1.092 -7.018 1.00 0.31 O ATOM 1543 CB THR A 100 -4.922 3.585 -8.283 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.757 3.313 -9.074 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.311 5.046 -8.431 1.00 0.24 C ATOM 0 H THR A 100 -2.572 3.433 -6.720 1.00 0.22 H new ATOM 0 HA THR A 100 -5.464 3.637 -6.199 1.00 0.22 H new ATOM 0 HB THR A 100 -5.749 2.968 -8.633 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.938 3.536 -10.011 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.496 5.268 -9.482 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.214 5.242 -7.854 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.502 5.677 -8.064 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.648 1.146 -6.093 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.729 -0.295 -5.900 1.00 0.23 C ATOM 1555 C ALA A 101 -6.851 -0.881 -6.747 1.00 0.22 C ATOM 1556 O ALA A 101 -7.945 -0.311 -6.818 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.935 -0.623 -4.428 1.00 0.26 C ATOM 0 H ALA A 101 -6.465 1.660 -5.763 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.789 -0.743 -6.221 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.993 -1.704 -4.301 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -5.098 -0.234 -3.848 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.861 -0.166 -4.080 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.590 -2.020 -7.379 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.577 -2.664 -8.238 1.00 0.23 C ATOM 1565 C GLU A 102 -7.286 -4.153 -8.388 1.00 0.24 C ATOM 1566 O GLU A 102 -6.268 -4.649 -7.906 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.585 -1.995 -9.610 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.231 -1.989 -10.298 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.079 -0.821 -11.243 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -5.948 0.323 -10.763 1.00 1.38 O ATOM 1571 OE2 GLU A 102 -6.103 -1.041 -12.472 1.00 1.18 O ATOM 0 H GLU A 102 -5.702 -2.517 -7.312 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.557 -2.554 -7.774 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.304 -2.507 -10.249 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.931 -0.967 -9.500 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.443 -1.951 -9.546 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.101 -2.920 -10.849 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.174 -4.853 -9.081 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.022 -6.278 -9.298 1.00 0.29 C ATOM 1580 C ILE A 103 -7.817 -6.553 -10.780 1.00 0.31 C ATOM 1581 O ILE A 103 -8.712 -6.316 -11.593 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.254 -7.066 -8.796 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.467 -6.837 -7.295 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.101 -8.556 -9.096 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.369 -7.403 -6.417 1.00 0.37 C ATOM 0 H ILE A 103 -9.011 -4.450 -9.503 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.152 -6.610 -8.731 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.133 -6.699 -9.327 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.548 -5.766 -7.110 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.417 -7.284 -7.002 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -9.979 -9.092 -8.735 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.004 -8.702 -10.172 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.211 -8.938 -8.596 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.597 -7.198 -5.371 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.301 -8.480 -6.569 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.418 -6.939 -6.679 1.00 0.37 H new ATOM 1597 N SER A 104 -6.646 -7.043 -11.130 1.00 0.34 N ATOM 1598 CA SER A 104 -6.334 -7.338 -12.514 1.00 0.38 C ATOM 1599 C SER A 104 -6.659 -8.796 -12.835 1.00 0.48 C ATOM 1600 O SER A 104 -5.775 -9.657 -12.868 1.00 0.88 O ATOM 1601 CB SER A 104 -4.866 -7.021 -12.779 1.00 0.55 C ATOM 1602 OG SER A 104 -4.050 -7.466 -11.711 1.00 1.37 O ATOM 0 H SER A 104 -5.892 -7.246 -10.474 1.00 0.34 H new ATOM 0 HA SER A 104 -6.946 -6.717 -13.168 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.549 -7.498 -13.707 1.00 0.55 H new ATOM 0 HB3 SER A 104 -4.741 -5.947 -12.914 1.00 0.55 H new ATOM 0 HG SER A 104 -4.210 -8.420 -11.552 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.937 -9.073 -13.048 1.00 0.53 N ATOM 1609 CA GLY A 105 -8.364 -10.427 -13.348 1.00 0.64 C ATOM 1610 C GLY A 105 -8.622 -11.225 -12.089 1.00 0.63 C ATOM 1611 O GLY A 105 -9.750 -11.647 -11.829 1.00 0.96 O ATOM 0 H GLY A 105 -8.688 -8.384 -13.019 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -9.271 -10.397 -13.952 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -7.600 -10.926 -13.945 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.578 -11.427 -11.303 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.709 -12.172 -10.069 1.00 0.50 C ATOM 1617 C GLY A 106 -6.569 -11.883 -9.119 1.00 0.44 C ATOM 1618 O GLY A 106 -6.273 -12.678 -8.229 1.00 0.48 O ATOM 0 H GLY A 106 -6.637 -11.086 -11.498 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.655 -11.920 -9.590 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.738 -13.239 -10.289 1.00 0.50 H new ATOM 1622 N LYS A 107 -5.929 -10.737 -9.308 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.806 -10.344 -8.473 1.00 0.35 C ATOM 1624 C LYS A 107 -4.923 -8.884 -8.075 1.00 0.32 C ATOM 1625 O LYS A 107 -5.504 -8.079 -8.798 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.484 -10.565 -9.211 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.847 -11.920 -8.941 1.00 0.38 C ATOM 1628 CD LYS A 107 -1.922 -12.338 -10.075 1.00 0.66 C ATOM 1629 CE LYS A 107 -0.820 -13.260 -9.583 1.00 0.75 C ATOM 1630 NZ LYS A 107 -1.329 -14.608 -9.214 1.00 1.22 N ATOM 0 H LYS A 107 -6.170 -10.063 -10.034 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.822 -10.962 -7.575 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.656 -10.462 -10.282 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.783 -9.781 -8.924 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.285 -11.879 -8.008 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.627 -12.670 -8.811 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.500 -12.841 -10.850 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.480 -11.452 -10.531 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.062 -13.361 -10.359 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -0.333 -12.810 -8.718 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.698 -15.036 -8.507 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -2.286 -14.521 -8.816 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -1.360 -15.211 -10.061 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.364 -8.558 -6.927 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.387 -7.204 -6.414 1.00 0.28 C ATOM 1646 C LEU A 108 -3.141 -6.473 -6.884 1.00 0.27 C ATOM 1647 O LEU A 108 -2.022 -6.922 -6.644 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.454 -7.242 -4.879 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.579 -5.897 -4.143 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.219 -5.246 -3.963 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.535 -4.958 -4.860 1.00 0.76 C ATOM 0 H LEU A 108 -3.881 -9.224 -6.324 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.264 -6.674 -6.785 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.304 -7.862 -4.594 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.557 -7.743 -4.515 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.992 -6.102 -3.155 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.336 -4.297 -3.440 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.575 -5.904 -3.380 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -2.768 -5.069 -4.940 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.600 -4.017 -4.313 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.169 -4.767 -5.869 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.523 -5.415 -4.913 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.336 -5.372 -7.577 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.222 -4.582 -8.060 1.00 0.29 C ATOM 1665 C VAL A 109 -2.387 -3.129 -7.633 1.00 0.29 C ATOM 1666 O VAL A 109 -3.394 -2.482 -7.934 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.061 -4.685 -9.596 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.383 -4.436 -10.307 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -0.989 -3.723 -10.094 1.00 0.32 C ATOM 0 H VAL A 109 -4.255 -5.003 -7.819 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.312 -4.984 -7.615 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.743 -5.701 -9.830 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.237 -4.515 -11.384 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.115 -5.177 -9.984 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.745 -3.438 -10.062 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.894 -3.813 -11.176 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.270 -2.701 -9.838 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.036 -3.966 -9.624 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.408 -2.639 -6.897 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.428 -1.268 -6.421 1.00 0.30 C ATOM 1681 C GLU A 110 -0.399 -0.442 -7.168 1.00 0.28 C ATOM 1682 O GLU A 110 0.738 -0.882 -7.370 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.150 -1.211 -4.921 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.249 -1.815 -4.070 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.793 -2.075 -2.652 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.222 -3.156 -2.396 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -1.963 -1.184 -1.793 1.00 1.45 O ATOM 0 H GLU A 110 -0.585 -3.172 -6.614 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.420 -0.857 -6.605 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.216 -1.733 -4.714 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -1.006 -0.171 -4.627 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.107 -1.143 -4.057 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.583 -2.750 -4.520 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.809 0.737 -7.596 1.00 0.26 N ATOM 1695 CA ILE A 111 0.072 1.643 -8.311 1.00 0.24 C ATOM 1696 C ILE A 111 0.326 2.887 -7.465 1.00 0.25 C ATOM 1697 O ILE A 111 -0.615 3.545 -7.018 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.508 2.046 -9.689 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.770 0.805 -10.556 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.447 2.988 -10.404 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.195 0.299 -10.494 1.00 0.37 C ATOM 0 H ILE A 111 -1.755 1.093 -7.460 1.00 0.26 H new ATOM 0 HA ILE A 111 1.012 1.122 -8.492 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.457 2.557 -9.524 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.524 1.040 -11.592 1.00 0.29 H new ATOM 0 HG13 ILE A 111 -0.098 0.007 -10.241 1.00 0.29 H new ATOM 0 HG21 ILE A 111 0.029 3.265 -11.372 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.592 3.885 -9.802 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.406 2.491 -10.552 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.298 -0.578 -11.133 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.441 0.031 -9.467 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.874 1.080 -10.838 1.00 0.37 H new ATOM 1713 N SER A 112 1.597 3.198 -7.251 1.00 0.23 N ATOM 1714 CA SER A 112 1.996 4.336 -6.438 1.00 0.24 C ATOM 1715 C SER A 112 2.954 5.227 -7.207 1.00 0.22 C ATOM 1716 O SER A 112 4.100 4.860 -7.456 1.00 0.25 O ATOM 1717 CB SER A 112 2.656 3.845 -5.148 1.00 0.28 C ATOM 1718 OG SER A 112 1.978 2.711 -4.627 1.00 0.37 O ATOM 0 H SER A 112 2.379 2.668 -7.636 1.00 0.23 H new ATOM 0 HA SER A 112 1.109 4.917 -6.187 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.698 3.592 -5.342 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.655 4.645 -4.408 1.00 0.28 H new ATOM 0 HG SER A 112 1.212 3.005 -4.092 1.00 0.37 H new ATOM 1724 N THR A 113 2.469 6.386 -7.605 1.00 0.22 N ATOM 1725 CA THR A 113 3.289 7.331 -8.332 1.00 0.22 C ATOM 1726 C THR A 113 3.915 8.325 -7.369 1.00 0.23 C ATOM 1727 O THR A 113 3.235 8.844 -6.484 1.00 0.26 O ATOM 1728 CB THR A 113 2.472 8.103 -9.377 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.310 7.351 -9.754 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.317 8.387 -10.606 1.00 0.27 C ATOM 0 H THR A 113 1.512 6.695 -7.437 1.00 0.22 H new ATOM 0 HA THR A 113 4.064 6.762 -8.846 1.00 0.22 H new ATOM 0 HB THR A 113 2.158 9.049 -8.936 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.796 7.854 -10.420 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.723 8.935 -11.337 1.00 0.27 H new ATOM 0 HG22 THR A 113 4.184 8.984 -10.322 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.652 7.446 -11.042 1.00 0.27 H new ATOM 1738 N SER A 114 5.203 8.573 -7.523 1.00 0.25 N ATOM 1739 CA SER A 114 5.891 9.513 -6.660 1.00 0.30 C ATOM 1740 C SER A 114 6.715 10.501 -7.475 1.00 0.29 C ATOM 1741 O SER A 114 7.835 10.198 -7.898 1.00 0.30 O ATOM 1742 CB SER A 114 6.781 8.773 -5.663 1.00 0.38 C ATOM 1743 OG SER A 114 7.582 7.805 -6.316 1.00 1.43 O ATOM 0 H SER A 114 5.791 8.138 -8.234 1.00 0.25 H new ATOM 0 HA SER A 114 5.138 10.074 -6.106 1.00 0.30 H new ATOM 0 HB2 SER A 114 7.419 9.486 -5.142 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.162 8.288 -4.908 1.00 0.38 H new ATOM 0 HG SER A 114 7.369 6.914 -5.967 1.00 1.43 H new ATOM 1749 N SER A 115 6.131 11.670 -7.718 1.00 0.37 N ATOM 1750 CA SER A 115 6.792 12.731 -8.469 1.00 0.47 C ATOM 1751 C SER A 115 7.203 12.261 -9.867 1.00 0.47 C ATOM 1752 O SER A 115 8.221 12.697 -10.408 1.00 0.57 O ATOM 1753 CB SER A 115 8.006 13.233 -7.683 1.00 0.54 C ATOM 1754 OG SER A 115 7.650 13.492 -6.334 1.00 0.63 O ATOM 0 H SER A 115 5.191 11.908 -7.402 1.00 0.37 H new ATOM 0 HA SER A 115 6.086 13.551 -8.603 1.00 0.47 H new ATOM 0 HB2 SER A 115 8.803 12.490 -7.719 1.00 0.54 H new ATOM 0 HB3 SER A 115 8.395 14.141 -8.144 1.00 0.54 H new ATOM 0 HG SER A 115 8.436 13.811 -5.844 1.00 0.63 H new ATOM 1760 N GLY A 116 6.412 11.361 -10.440 1.00 0.42 N ATOM 1761 CA GLY A 116 6.701 10.863 -11.771 1.00 0.46 C ATOM 1762 C GLY A 116 6.941 9.367 -11.820 1.00 0.40 C ATOM 1763 O GLY A 116 6.433 8.685 -12.710 1.00 0.46 O ATOM 0 H GLY A 116 5.576 10.968 -10.007 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.870 11.111 -12.431 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.581 11.377 -12.159 1.00 0.46 H new ATOM 1767 N VAL A 117 7.714 8.853 -10.871 1.00 0.33 N ATOM 1768 CA VAL A 117 8.027 7.427 -10.825 1.00 0.29 C ATOM 1769 C VAL A 117 6.796 6.609 -10.465 1.00 0.28 C ATOM 1770 O VAL A 117 6.154 6.845 -9.440 1.00 0.29 O ATOM 1771 CB VAL A 117 9.164 7.118 -9.828 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.340 5.618 -9.643 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.462 7.737 -10.306 1.00 0.53 C ATOM 0 H VAL A 117 8.137 9.401 -10.122 1.00 0.33 H new ATOM 0 HA VAL A 117 8.363 7.147 -11.823 1.00 0.29 H new ATOM 0 HB VAL A 117 8.894 7.551 -8.865 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.148 5.431 -8.935 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.415 5.188 -9.260 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.584 5.159 -10.601 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.256 7.512 -9.594 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.723 7.328 -11.282 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.342 8.817 -10.386 1.00 0.53 H new ATOM 1783 N VAL A 118 6.471 5.655 -11.321 1.00 0.27 N ATOM 1784 CA VAL A 118 5.322 4.792 -11.115 1.00 0.27 C ATOM 1785 C VAL A 118 5.738 3.444 -10.549 1.00 0.25 C ATOM 1786 O VAL A 118 6.383 2.642 -11.227 1.00 0.29 O ATOM 1787 CB VAL A 118 4.540 4.556 -12.422 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.295 3.721 -12.162 1.00 0.97 C ATOM 1789 CG2 VAL A 118 4.176 5.879 -13.069 1.00 0.86 C ATOM 0 H VAL A 118 6.994 5.458 -12.174 1.00 0.27 H new ATOM 0 HA VAL A 118 4.678 5.306 -10.402 1.00 0.27 H new ATOM 0 HB VAL A 118 5.180 4.003 -13.110 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.758 3.567 -13.098 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.584 2.756 -11.746 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.649 4.241 -11.455 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.624 5.694 -13.991 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.556 6.460 -12.386 1.00 0.86 H new ATOM 0 HG23 VAL A 118 5.085 6.435 -13.296 1.00 0.86 H new ATOM 1799 N TYR A 119 5.377 3.214 -9.304 1.00 0.22 N ATOM 1800 CA TYR A 119 5.676 1.958 -8.635 1.00 0.21 C ATOM 1801 C TYR A 119 4.447 1.069 -8.688 1.00 0.22 C ATOM 1802 O TYR A 119 3.333 1.531 -8.458 1.00 0.29 O ATOM 1803 CB TYR A 119 6.090 2.209 -7.186 1.00 0.22 C ATOM 1804 CG TYR A 119 6.080 0.975 -6.305 1.00 0.21 C ATOM 1805 CD1 TYR A 119 7.058 -0.006 -6.429 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.089 0.795 -5.347 1.00 1.21 C ATOM 1807 CE1 TYR A 119 7.047 -1.132 -5.623 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.073 -0.326 -4.539 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.052 -1.285 -4.682 1.00 0.34 C ATOM 1810 OH TYR A 119 6.031 -2.399 -3.872 1.00 0.43 O ATOM 0 H TYR A 119 4.871 3.886 -8.727 1.00 0.22 H new ATOM 0 HA TYR A 119 6.506 1.465 -9.141 1.00 0.21 H new ATOM 0 HB2 TYR A 119 7.092 2.638 -7.177 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.421 2.953 -6.754 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.839 0.112 -7.166 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.319 1.543 -5.232 1.00 1.21 H new ATOM 0 HE1 TYR A 119 7.813 -1.885 -5.731 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.297 -0.450 -3.799 1.00 1.22 H new ATOM 0 HH TYR A 119 5.424 -2.244 -3.118 1.00 0.43 H new ATOM 1820 N LYS A 120 4.643 -0.194 -9.019 1.00 0.21 N ATOM 1821 CA LYS A 120 3.545 -1.126 -9.109 1.00 0.23 C ATOM 1822 C LYS A 120 3.882 -2.429 -8.411 1.00 0.24 C ATOM 1823 O LYS A 120 5.008 -2.911 -8.496 1.00 0.29 O ATOM 1824 CB LYS A 120 3.237 -1.395 -10.573 1.00 0.28 C ATOM 1825 CG LYS A 120 2.671 -0.185 -11.294 1.00 0.31 C ATOM 1826 CD LYS A 120 2.996 -0.203 -12.780 1.00 0.46 C ATOM 1827 CE LYS A 120 2.211 -1.276 -13.509 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.895 -1.696 -14.760 1.00 1.17 N ATOM 0 H LYS A 120 5.557 -0.595 -9.230 1.00 0.21 H new ATOM 0 HA LYS A 120 2.675 -0.691 -8.618 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.148 -1.717 -11.077 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.526 -2.218 -10.643 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.590 -0.156 -11.160 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.072 0.724 -10.846 1.00 0.31 H new ATOM 0 HD2 LYS A 120 2.772 0.771 -13.214 1.00 0.46 H new ATOM 0 HD3 LYS A 120 4.063 -0.375 -12.918 1.00 0.46 H new ATOM 0 HE2 LYS A 120 2.081 -2.140 -12.857 1.00 0.87 H new ATOM 0 HE3 LYS A 120 1.215 -0.902 -13.746 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.684 -2.696 -14.952 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 2.558 -1.113 -15.553 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 3.922 -1.573 -14.652 1.00 1.17 H new ATOM 1842 N ARG A 121 2.909 -2.992 -7.717 1.00 0.25 N ATOM 1843 CA ARG A 121 3.102 -4.253 -7.019 1.00 0.28 C ATOM 1844 C ARG A 121 1.890 -5.152 -7.217 1.00 0.28 C ATOM 1845 O ARG A 121 0.746 -4.699 -7.162 1.00 0.34 O ATOM 1846 CB ARG A 121 3.359 -4.030 -5.525 1.00 0.36 C ATOM 1847 CG ARG A 121 2.225 -3.329 -4.796 1.00 0.59 C ATOM 1848 CD ARG A 121 2.379 -3.459 -3.291 1.00 0.84 C ATOM 1849 NE ARG A 121 1.391 -2.663 -2.569 1.00 1.20 N ATOM 1850 CZ ARG A 121 1.665 -1.521 -1.943 1.00 1.59 C ATOM 1851 NH1 ARG A 121 2.892 -1.020 -1.978 1.00 1.88 N ATOM 1852 NH2 ARG A 121 0.703 -0.873 -1.299 1.00 2.48 N ATOM 0 H ARG A 121 1.974 -2.595 -7.621 1.00 0.25 H new ATOM 0 HA ARG A 121 3.981 -4.740 -7.440 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.539 -4.995 -5.051 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.269 -3.442 -5.408 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.207 -2.275 -5.073 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.271 -3.756 -5.105 1.00 0.59 H new ATOM 0 HD2 ARG A 121 2.279 -4.506 -3.006 1.00 0.84 H new ATOM 0 HD3 ARG A 121 3.381 -3.143 -3.001 1.00 0.84 H new ATOM 0 HE ARG A 121 0.430 -3.004 -2.543 1.00 1.20 H new ATOM 0 HH11 ARG A 121 3.629 -1.510 -2.486 1.00 1.88 H new ATOM 0 HH12 ARG A 121 3.099 -0.145 -1.497 1.00 1.88 H new ATOM 0 HH21 ARG A 121 -0.245 -1.250 -1.284 1.00 2.48 H new ATOM 0 HH22 ARG A 121 0.911 0.002 -0.819 1.00 2.48 H new ATOM 1866 N THR A 122 2.156 -6.420 -7.470 1.00 0.27 N ATOM 1867 CA THR A 122 1.116 -7.402 -7.681 1.00 0.27 C ATOM 1868 C THR A 122 1.117 -8.415 -6.540 1.00 0.25 C ATOM 1869 O THR A 122 2.151 -9.014 -6.233 1.00 0.29 O ATOM 1870 CB THR A 122 1.318 -8.127 -9.028 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.332 -7.168 -10.094 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.216 -9.148 -9.273 1.00 0.34 C ATOM 0 H THR A 122 3.102 -6.796 -7.535 1.00 0.27 H new ATOM 0 HA THR A 122 0.155 -6.888 -7.704 1.00 0.27 H new ATOM 0 HB THR A 122 2.271 -8.655 -8.993 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.462 -7.630 -10.948 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.385 -9.643 -10.229 1.00 0.34 H new ATOM 0 HG22 THR A 122 0.223 -9.890 -8.474 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.750 -8.643 -9.291 1.00 0.34 H new ATOM 1880 N SER A 123 -0.036 -8.586 -5.910 1.00 0.24 N ATOM 1881 CA SER A 123 -0.172 -9.513 -4.803 1.00 0.23 C ATOM 1882 C SER A 123 -1.292 -10.508 -5.073 1.00 0.23 C ATOM 1883 O SER A 123 -2.328 -10.155 -5.644 1.00 0.25 O ATOM 1884 CB SER A 123 -0.460 -8.744 -3.516 1.00 0.25 C ATOM 1885 OG SER A 123 0.333 -7.572 -3.438 1.00 0.38 O ATOM 0 H SER A 123 -0.894 -8.090 -6.151 1.00 0.24 H new ATOM 0 HA SER A 123 0.762 -10.063 -4.693 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.516 -8.477 -3.476 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.260 -9.381 -2.655 1.00 0.25 H new ATOM 0 HG SER A 123 0.130 -7.095 -2.606 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.069 -11.751 -4.682 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.061 -12.799 -4.869 1.00 0.25 C ATOM 1893 C LYS A 124 -3.108 -12.742 -3.762 1.00 0.22 C ATOM 1894 O LYS A 124 -2.840 -12.237 -2.668 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.386 -14.174 -4.900 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.582 -14.488 -3.647 1.00 0.31 C ATOM 1897 CD LYS A 124 0.009 -15.894 -3.691 1.00 0.43 C ATOM 1898 CE LYS A 124 1.249 -16.008 -2.814 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.442 -15.386 -3.455 1.00 1.45 N ATOM 0 H LYS A 124 -0.208 -12.061 -4.232 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.560 -12.639 -5.825 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.149 -14.941 -5.033 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.727 -14.226 -5.767 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.221 -13.759 -3.538 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.222 -14.390 -2.770 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.739 -16.614 -3.360 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.265 -16.150 -4.719 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.060 -15.527 -1.854 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.453 -17.059 -2.609 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.229 -16.066 -3.458 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.211 -15.119 -4.433 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.720 -14.538 -2.921 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.296 -13.255 -4.049 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.385 -13.257 -3.081 1.00 0.23 C ATOM 1915 C LYS A 125 -5.520 -14.628 -2.437 1.00 0.25 C ATOM 1916 O LYS A 125 -5.680 -15.639 -3.116 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.712 -12.871 -3.746 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.676 -12.120 -2.824 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.147 -12.977 -1.658 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.538 -13.541 -1.901 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.032 -14.344 -0.749 1.00 1.45 N ATOM 0 H LYS A 125 -4.531 -13.677 -4.947 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.150 -12.519 -2.314 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.503 -12.251 -4.618 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.202 -13.775 -4.108 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.185 -11.226 -2.440 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.540 -11.787 -3.399 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.445 -13.796 -1.501 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.150 -12.380 -0.746 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -10.231 -12.722 -2.094 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -9.524 -14.164 -2.795 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -10.983 -14.707 -0.961 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -9.387 -15.142 -0.580 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.072 -13.745 0.100 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.467 -14.646 -1.126 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.595 -15.868 -0.369 1.00 0.28 C ATOM 1937 C ILE A 126 -6.412 -15.570 0.868 1.00 0.30 C ATOM 1938 O ILE A 126 -6.710 -14.404 1.141 1.00 0.28 O ATOM 1939 CB ILE A 126 -4.232 -16.472 0.052 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -3.059 -15.867 -0.737 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -4.254 -17.981 -0.117 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.477 -14.632 -0.091 1.00 0.27 C ATOM 0 H ILE A 126 -5.334 -13.812 -0.554 1.00 0.24 H new ATOM 0 HA ILE A 126 -6.079 -16.607 -1.008 1.00 0.28 H new ATOM 0 HB ILE A 126 -4.078 -16.225 1.102 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.275 -16.617 -0.841 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.397 -15.617 -1.743 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -3.291 -18.395 0.182 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -5.041 -18.406 0.507 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.446 -18.227 -1.161 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.654 -14.257 -0.699 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.248 -13.866 -0.011 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -2.109 -14.881 0.904 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.843 -16.587 1.582 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.609 -16.360 2.787 1.00 0.44 C ATOM 1956 C ALA A 127 -7.023 -17.153 3.940 1.00 0.67 C ATOM 1957 O ALA A 127 -6.224 -18.075 3.683 1.00 1.27 O ATOM 1958 CB ALA A 127 -9.077 -16.689 2.582 1.00 0.46 C ATOM 0 H ALA A 127 -6.679 -17.567 1.353 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.549 -15.300 3.034 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.623 -16.507 3.507 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.484 -16.059 1.791 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.179 -17.737 2.300 1.00 0.46 H new