USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 786 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 50 TYR OH : rot -11:sc= 0.117 USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.203 K(o=0.32,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -1.73! K(o=-1.7!,f=-0.58) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 29 THR OG1 : rot -130:sc= 0.699 USER MOD Single : A 31 GLN : amide:sc= -0.84 K(o=-0.84,f=-0.17) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0524 USER MOD Single : A 34 SER OG : rot -70:sc= 1.36 USER MOD Single : A 35 THR OG1 : rot -160:sc= -0.048 USER MOD Single : A 41 SER OG : rot 149:sc= 1.31 USER MOD Single : A 45 LYS NZ :NH3+ -118:sc= 1.23 (180deg=-0.135) USER MOD Single : A 57 GLN : amide:sc= -0.0311 K(o=-0.031,f=-0.55) USER MOD Single : A 59 GLN : amide:sc= -0.937 X(o=-0.94,f=-1.2) USER MOD Single : A 60 HIS : no HD1:sc= 0.847 K(o=0.85,f=-5.6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.13 USER MOD Single : A 65 ASN : amide:sc= -0.653 X(o=-0.65,f=-0.74) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -106:sc= 1.26 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 128:sc= 1.07 USER MOD Single : A 83 GLN : amide:sc= -2.02! C(o=-2!,f=-7.3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 93 THR OG1 : rot 175:sc= 0 USER MOD Single : A 95 SER OG : rot 93:sc= 1.21 USER MOD Single : A 98 SER OG : rot 110:sc= 0.255 USER MOD Single : A 102 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.055) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -74:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 7 17.389 -4.245 2.259 1.00 1.09 N ATOM 78 CA LYS A 7 16.191 -4.689 2.970 1.00 1.10 C ATOM 79 C LYS A 7 15.514 -3.502 3.648 1.00 0.91 C ATOM 80 O LYS A 7 15.852 -3.140 4.777 1.00 0.98 O ATOM 81 CB LYS A 7 16.523 -5.777 3.998 1.00 1.37 C ATOM 82 CG LYS A 7 15.591 -6.975 3.940 1.00 1.06 C ATOM 83 CD LYS A 7 14.511 -6.898 5.004 1.00 1.05 C ATOM 84 CE LYS A 7 13.574 -8.091 4.928 1.00 1.34 C ATOM 85 NZ LYS A 7 12.462 -7.984 5.907 1.00 2.06 N ATOM 0 HA LYS A 7 15.505 -5.120 2.241 1.00 1.10 H new ATOM 0 HB2 LYS A 7 17.547 -6.116 3.838 1.00 1.37 H new ATOM 0 HB3 LYS A 7 16.483 -5.345 4.998 1.00 1.37 H new ATOM 0 HG2 LYS A 7 15.128 -7.029 2.955 1.00 1.06 H new ATOM 0 HG3 LYS A 7 16.167 -7.891 4.072 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.972 -6.858 5.991 1.00 1.05 H new ATOM 0 HD3 LYS A 7 13.941 -5.977 4.881 1.00 1.05 H new ATOM 0 HE2 LYS A 7 13.165 -8.168 3.921 1.00 1.34 H new ATOM 0 HE3 LYS A 7 14.136 -9.006 5.115 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 11.845 -8.817 5.824 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 12.851 -7.936 6.870 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 11.910 -7.124 5.713 1.00 2.06 H new ATOM 99 N PRO A 8 14.561 -2.863 2.955 1.00 0.74 N ATOM 100 CA PRO A 8 13.844 -1.701 3.487 1.00 0.60 C ATOM 101 C PRO A 8 13.044 -2.042 4.737 1.00 0.52 C ATOM 102 O PRO A 8 12.716 -3.204 4.980 1.00 0.60 O ATOM 103 CB PRO A 8 12.906 -1.298 2.350 1.00 0.61 C ATOM 104 CG PRO A 8 12.777 -2.515 1.503 1.00 0.84 C ATOM 105 CD PRO A 8 14.086 -3.238 1.613 1.00 0.81 C ATOM 0 HA PRO A 8 14.528 -0.908 3.788 1.00 0.60 H new ATOM 0 HB2 PRO A 8 11.936 -0.980 2.733 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.313 -0.463 1.780 1.00 0.61 H new ATOM 0 HG2 PRO A 8 11.955 -3.143 1.846 1.00 0.84 H new ATOM 0 HG3 PRO A 8 12.565 -2.249 0.468 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.961 -4.316 1.516 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.785 -2.927 0.836 1.00 0.81 H new ATOM 113 N ASP A 9 12.704 -1.027 5.510 1.00 0.44 N ATOM 114 CA ASP A 9 11.896 -1.230 6.702 1.00 0.48 C ATOM 115 C ASP A 9 10.425 -1.078 6.345 1.00 0.41 C ATOM 116 O ASP A 9 10.105 -0.518 5.294 1.00 0.41 O ATOM 117 CB ASP A 9 12.293 -0.222 7.783 1.00 0.61 C ATOM 118 CG ASP A 9 12.629 -0.880 9.107 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.296 -1.938 9.098 1.00 1.19 O ATOM 120 OD2 ASP A 9 12.232 -0.342 10.162 1.00 1.53 O ATOM 0 H ASP A 9 12.972 -0.058 5.337 1.00 0.44 H new ATOM 0 HA ASP A 9 12.066 -2.234 7.091 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.154 0.352 7.439 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.477 0.485 7.931 1.00 0.61 H new ATOM 125 N PRO A 10 9.504 -1.583 7.181 1.00 0.56 N ATOM 126 CA PRO A 10 8.071 -1.439 6.933 1.00 0.74 C ATOM 127 C PRO A 10 7.677 0.027 6.768 1.00 0.67 C ATOM 128 O PRO A 10 8.107 0.879 7.548 1.00 0.97 O ATOM 129 CB PRO A 10 7.421 -2.030 8.188 1.00 1.05 C ATOM 130 CG PRO A 10 8.446 -2.952 8.747 1.00 1.12 C ATOM 131 CD PRO A 10 9.774 -2.333 8.420 1.00 0.78 C ATOM 0 HA PRO A 10 7.760 -1.935 6.014 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.159 -1.250 8.903 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.501 -2.562 7.944 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.323 -3.067 9.824 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.359 -3.946 8.308 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.120 -1.678 9.219 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.545 -3.089 8.272 1.00 0.78 H new ATOM 139 N PRO A 11 6.929 0.342 5.696 1.00 0.37 N ATOM 140 CA PRO A 11 6.499 1.705 5.361 1.00 0.38 C ATOM 141 C PRO A 11 6.013 2.490 6.577 1.00 0.28 C ATOM 142 O PRO A 11 5.391 1.933 7.488 1.00 0.35 O ATOM 143 CB PRO A 11 5.339 1.485 4.373 1.00 0.50 C ATOM 144 CG PRO A 11 5.195 0.002 4.226 1.00 0.64 C ATOM 145 CD PRO A 11 6.491 -0.601 4.674 1.00 0.41 C ATOM 0 HA PRO A 11 7.322 2.294 4.956 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.418 1.931 4.748 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.551 1.953 3.412 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.366 -0.368 4.830 1.00 0.64 H new ATOM 0 HG3 PRO A 11 4.980 -0.266 3.191 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.356 -1.605 5.077 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.208 -0.679 3.857 1.00 0.41 H new ATOM 153 N GLU A 12 6.289 3.781 6.582 1.00 0.28 N ATOM 154 CA GLU A 12 5.888 4.640 7.677 1.00 0.30 C ATOM 155 C GLU A 12 4.785 5.587 7.231 1.00 0.28 C ATOM 156 O GLU A 12 4.684 5.909 6.051 1.00 0.31 O ATOM 157 CB GLU A 12 7.086 5.443 8.180 1.00 0.47 C ATOM 158 CG GLU A 12 7.737 4.853 9.418 1.00 0.98 C ATOM 159 CD GLU A 12 7.975 5.891 10.490 1.00 1.58 C ATOM 160 OE1 GLU A 12 8.906 6.712 10.336 1.00 2.11 O ATOM 161 OE2 GLU A 12 7.239 5.891 11.498 1.00 2.09 O ATOM 0 H GLU A 12 6.792 4.259 5.834 1.00 0.28 H new ATOM 0 HA GLU A 12 5.510 4.015 8.487 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.829 5.508 7.385 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.764 6.461 8.399 1.00 0.47 H new ATOM 0 HG2 GLU A 12 7.103 4.061 9.817 1.00 0.98 H new ATOM 0 HG3 GLU A 12 8.686 4.394 9.143 1.00 0.98 H new ATOM 168 N ASN A 13 3.966 6.024 8.182 1.00 0.33 N ATOM 169 CA ASN A 13 2.881 6.967 7.911 1.00 0.37 C ATOM 170 C ASN A 13 1.868 6.361 6.947 1.00 0.32 C ATOM 171 O ASN A 13 1.400 7.015 6.018 1.00 0.35 O ATOM 172 CB ASN A 13 3.455 8.275 7.341 1.00 0.45 C ATOM 173 CG ASN A 13 2.439 9.402 7.270 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.646 9.606 8.190 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.464 10.141 6.172 1.00 1.01 N ATOM 0 H ASN A 13 4.033 5.738 9.159 1.00 0.33 H new ATOM 0 HA ASN A 13 2.366 7.186 8.846 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.296 8.593 7.958 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.846 8.086 6.341 1.00 0.45 H new ATOM 0 HD21 ASN A 13 1.809 10.915 6.063 1.00 1.01 H new ATOM 0 HD22 ASN A 13 3.138 9.936 5.435 1.00 1.01 H new ATOM 182 N VAL A 14 1.560 5.091 7.155 1.00 0.30 N ATOM 183 CA VAL A 14 0.637 4.383 6.281 1.00 0.29 C ATOM 184 C VAL A 14 -0.794 4.513 6.778 1.00 0.32 C ATOM 185 O VAL A 14 -1.136 4.016 7.853 1.00 0.47 O ATOM 186 CB VAL A 14 0.989 2.888 6.162 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.729 2.399 4.752 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.434 2.635 6.546 1.00 0.69 C ATOM 0 H VAL A 14 1.935 4.530 7.920 1.00 0.30 H new ATOM 0 HA VAL A 14 0.728 4.844 5.297 1.00 0.29 H new ATOM 0 HB VAL A 14 0.353 2.335 6.853 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.982 1.341 4.681 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.324 2.538 4.507 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.342 2.966 4.051 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.654 1.572 6.453 1.00 0.69 H new ATOM 0 HG22 VAL A 14 3.091 3.201 5.885 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.597 2.950 7.577 1.00 0.69 H new ATOM 198 N VAL A 15 -1.619 5.209 6.007 1.00 0.27 N ATOM 199 CA VAL A 15 -3.011 5.424 6.371 1.00 0.35 C ATOM 200 C VAL A 15 -3.904 5.458 5.136 1.00 0.34 C ATOM 201 O VAL A 15 -3.816 6.371 4.313 1.00 0.39 O ATOM 202 CB VAL A 15 -3.208 6.743 7.157 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.201 6.485 8.657 1.00 1.34 C ATOM 204 CG2 VAL A 15 -2.146 7.773 6.781 1.00 1.48 C ATOM 0 H VAL A 15 -1.345 5.636 5.122 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.292 4.586 7.009 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.181 7.151 6.885 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.341 7.426 9.189 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -4.010 5.800 8.912 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.247 6.044 8.946 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -2.310 8.689 7.349 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -1.157 7.376 7.010 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -2.211 7.991 5.715 1.00 1.48 H new ATOM 214 N ALA A 16 -4.820 4.504 5.050 1.00 0.35 N ATOM 215 CA ALA A 16 -5.816 4.510 3.995 1.00 0.38 C ATOM 216 C ALA A 16 -7.054 5.244 4.485 1.00 0.36 C ATOM 217 O ALA A 16 -7.553 4.963 5.576 1.00 0.39 O ATOM 218 CB ALA A 16 -6.154 3.092 3.576 1.00 0.45 C ATOM 0 H ALA A 16 -4.892 3.719 5.697 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.419 5.026 3.121 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -6.903 3.115 2.784 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.255 2.596 3.211 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.548 2.544 4.432 1.00 0.45 H new ATOM 224 N ARG A 17 -7.437 6.292 3.774 1.00 0.37 N ATOM 225 CA ARG A 17 -8.498 7.174 4.242 1.00 0.37 C ATOM 226 C ARG A 17 -9.682 7.174 3.284 1.00 0.35 C ATOM 227 O ARG A 17 -9.518 7.371 2.084 1.00 0.48 O ATOM 228 CB ARG A 17 -7.965 8.598 4.409 1.00 0.50 C ATOM 229 CG ARG A 17 -6.687 8.678 5.229 1.00 1.21 C ATOM 230 CD ARG A 17 -5.660 9.586 4.573 1.00 1.69 C ATOM 231 NE ARG A 17 -5.474 10.828 5.320 1.00 2.32 N ATOM 232 CZ ARG A 17 -4.302 11.450 5.451 1.00 3.06 C ATOM 233 NH1 ARG A 17 -3.224 10.985 4.825 1.00 3.37 N ATOM 234 NH2 ARG A 17 -4.216 12.555 6.185 1.00 3.99 N ATOM 0 H ARG A 17 -7.033 6.553 2.875 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.841 6.801 5.207 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.782 9.026 3.424 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.731 9.210 4.885 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -6.917 9.049 6.228 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -6.267 7.679 5.349 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -4.707 9.062 4.498 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -5.977 9.818 3.556 1.00 1.69 H new ATOM 0 HE ARG A 17 -6.290 11.244 5.768 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -3.293 10.150 4.243 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -2.329 11.463 4.927 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -5.046 12.926 6.647 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -3.320 13.032 6.286 1.00 3.99 H new ATOM 248 N PRO A 18 -10.893 6.943 3.798 1.00 0.31 N ATOM 249 CA PRO A 18 -12.105 6.922 2.982 1.00 0.38 C ATOM 250 C PRO A 18 -12.490 8.316 2.503 1.00 0.39 C ATOM 251 O PRO A 18 -12.430 9.282 3.264 1.00 0.46 O ATOM 252 CB PRO A 18 -13.185 6.371 3.925 1.00 0.49 C ATOM 253 CG PRO A 18 -12.462 5.894 5.143 1.00 0.57 C ATOM 254 CD PRO A 18 -11.187 6.683 5.213 1.00 0.43 C ATOM 0 HA PRO A 18 -11.972 6.323 2.081 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -13.912 7.143 4.179 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.736 5.557 3.454 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -13.064 6.049 6.038 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.255 4.826 5.079 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -11.313 7.607 5.777 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.388 6.120 5.696 1.00 0.43 H new ATOM 262 N VAL A 19 -12.858 8.420 1.236 1.00 0.40 N ATOM 263 CA VAL A 19 -13.255 9.694 0.663 1.00 0.45 C ATOM 264 C VAL A 19 -14.778 9.772 0.555 1.00 0.48 C ATOM 265 O VAL A 19 -15.395 8.975 -0.143 1.00 0.47 O ATOM 266 CB VAL A 19 -12.625 9.901 -0.730 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.994 11.261 -1.299 1.00 0.59 C ATOM 268 CG2 VAL A 19 -11.114 9.746 -0.659 1.00 0.52 C ATOM 0 H VAL A 19 -12.890 7.636 0.585 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.896 10.483 1.323 1.00 0.45 H new ATOM 0 HB VAL A 19 -13.023 9.136 -1.398 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.537 11.381 -2.281 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -14.078 11.335 -1.392 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.633 12.044 -0.633 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.686 9.895 -1.650 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.704 10.486 0.028 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.867 8.745 -0.304 1.00 0.52 H new ATOM 278 N PRO A 20 -15.407 10.694 1.299 1.00 0.58 N ATOM 279 CA PRO A 20 -16.871 10.826 1.342 1.00 0.69 C ATOM 280 C PRO A 20 -17.467 11.294 0.013 1.00 0.70 C ATOM 281 O PRO A 20 -18.683 11.280 -0.173 1.00 1.27 O ATOM 282 CB PRO A 20 -17.109 11.876 2.433 1.00 0.84 C ATOM 283 CG PRO A 20 -15.825 12.620 2.541 1.00 0.97 C ATOM 284 CD PRO A 20 -14.745 11.630 2.221 1.00 0.67 C ATOM 0 HA PRO A 20 -17.350 9.867 1.540 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -17.930 12.542 2.167 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -17.374 11.407 3.381 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -15.802 13.461 1.847 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -15.694 13.030 3.543 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.884 12.110 1.757 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -14.384 11.125 3.117 1.00 0.67 H new ATOM 292 N SER A 21 -16.612 11.746 -0.893 1.00 0.80 N ATOM 293 CA SER A 21 -17.065 12.238 -2.184 1.00 0.85 C ATOM 294 C SER A 21 -17.180 11.097 -3.196 1.00 0.65 C ATOM 295 O SER A 21 -17.810 11.245 -4.246 1.00 0.69 O ATOM 296 CB SER A 21 -16.095 13.301 -2.695 1.00 1.07 C ATOM 297 OG SER A 21 -15.308 13.810 -1.630 1.00 1.49 O ATOM 0 H SER A 21 -15.602 11.782 -0.757 1.00 0.80 H new ATOM 0 HA SER A 21 -18.054 12.679 -2.061 1.00 0.85 H new ATOM 0 HB2 SER A 21 -15.448 12.873 -3.461 1.00 1.07 H new ATOM 0 HB3 SER A 21 -16.651 14.113 -3.165 1.00 1.07 H new ATOM 0 HG SER A 21 -14.691 14.489 -1.975 1.00 1.49 H new ATOM 303 N ASN A 22 -16.580 9.957 -2.871 1.00 0.55 N ATOM 304 CA ASN A 22 -16.617 8.799 -3.753 1.00 0.44 C ATOM 305 C ASN A 22 -16.700 7.508 -2.945 1.00 0.40 C ATOM 306 O ASN A 22 -15.789 7.183 -2.186 1.00 0.43 O ATOM 307 CB ASN A 22 -15.387 8.778 -4.661 1.00 0.57 C ATOM 308 CG ASN A 22 -15.752 8.901 -6.126 1.00 0.74 C ATOM 309 OD1 ASN A 22 -16.620 8.186 -6.623 1.00 0.94 O ATOM 310 ND2 ASN A 22 -15.095 9.812 -6.826 1.00 1.28 N ATOM 0 H ASN A 22 -16.063 9.811 -2.004 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.509 8.874 -4.376 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -14.720 9.595 -4.385 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.837 7.850 -4.503 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -15.302 9.941 -7.816 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -14.382 10.385 -6.375 1.00 1.28 H new ATOM 317 N PRO A 23 -17.833 6.797 -3.060 1.00 0.40 N ATOM 318 CA PRO A 23 -18.131 5.582 -2.279 1.00 0.43 C ATOM 319 C PRO A 23 -17.003 4.553 -2.239 1.00 0.48 C ATOM 320 O PRO A 23 -16.856 3.830 -1.259 1.00 0.98 O ATOM 321 CB PRO A 23 -19.335 4.995 -3.010 1.00 0.56 C ATOM 322 CG PRO A 23 -20.037 6.173 -3.587 1.00 0.70 C ATOM 323 CD PRO A 23 -18.974 7.186 -3.912 1.00 0.48 C ATOM 0 HA PRO A 23 -18.293 5.832 -1.231 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.025 4.298 -3.789 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -19.982 4.443 -2.328 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -20.593 5.893 -4.482 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.758 6.581 -2.878 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.709 7.161 -4.969 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.309 8.200 -3.692 1.00 0.48 H new ATOM 331 N ARG A 24 -16.292 4.392 -3.342 1.00 0.31 N ATOM 332 CA ARG A 24 -15.286 3.344 -3.435 1.00 0.27 C ATOM 333 C ARG A 24 -13.872 3.912 -3.410 1.00 0.26 C ATOM 334 O ARG A 24 -12.909 3.202 -3.703 1.00 0.31 O ATOM 335 CB ARG A 24 -15.496 2.533 -4.711 1.00 0.35 C ATOM 336 CG ARG A 24 -16.360 1.303 -4.506 1.00 0.37 C ATOM 337 CD ARG A 24 -17.153 0.944 -5.756 1.00 0.62 C ATOM 338 NE ARG A 24 -17.547 2.126 -6.522 1.00 1.27 N ATOM 339 CZ ARG A 24 -18.744 2.706 -6.439 1.00 2.02 C ATOM 340 NH1 ARG A 24 -19.676 2.211 -5.632 1.00 2.44 N ATOM 341 NH2 ARG A 24 -19.004 3.784 -7.166 1.00 2.86 N ATOM 0 H ARG A 24 -16.390 4.967 -4.179 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.400 2.698 -2.565 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -15.957 3.170 -5.466 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.526 2.226 -5.102 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.729 0.460 -4.223 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -17.048 1.478 -3.679 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -16.554 0.288 -6.387 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -18.044 0.385 -5.470 1.00 0.62 H new ATOM 0 HE ARG A 24 -16.862 2.532 -7.160 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -19.477 1.382 -5.071 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -20.590 2.660 -5.573 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -18.289 4.166 -7.785 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -19.919 4.231 -7.106 1.00 2.86 H new ATOM 355 N ARG A 25 -13.747 5.193 -3.075 1.00 0.23 N ATOM 356 CA ARG A 25 -12.448 5.859 -3.094 1.00 0.26 C ATOM 357 C ARG A 25 -11.737 5.776 -1.747 1.00 0.24 C ATOM 358 O ARG A 25 -12.189 6.346 -0.749 1.00 0.24 O ATOM 359 CB ARG A 25 -12.604 7.323 -3.506 1.00 0.32 C ATOM 360 CG ARG A 25 -11.306 7.980 -3.956 1.00 0.51 C ATOM 361 CD ARG A 25 -11.551 9.383 -4.492 1.00 0.80 C ATOM 362 NE ARG A 25 -10.363 10.230 -4.396 1.00 1.32 N ATOM 363 CZ ARG A 25 -9.622 10.599 -5.440 1.00 1.71 C ATOM 364 NH1 ARG A 25 -9.918 10.170 -6.659 1.00 2.14 N ATOM 365 NH2 ARG A 25 -8.576 11.391 -5.254 1.00 2.31 N ATOM 0 H ARG A 25 -14.524 5.788 -2.789 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.833 5.336 -3.827 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.331 7.387 -4.315 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -13.012 7.885 -2.666 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.610 8.025 -3.119 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.837 7.371 -4.728 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -11.867 9.321 -5.533 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -12.368 9.844 -3.937 1.00 0.80 H new ATOM 0 HE ARG A 25 -10.084 10.559 -3.472 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -10.718 9.553 -6.802 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -9.346 10.457 -7.453 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -8.342 11.715 -4.315 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -8.005 11.677 -6.049 1.00 2.31 H new ATOM 379 N LEU A 26 -10.561 5.169 -1.766 1.00 0.29 N ATOM 380 CA LEU A 26 -9.693 5.131 -0.602 1.00 0.35 C ATOM 381 C LEU A 26 -8.409 5.894 -0.889 1.00 0.39 C ATOM 382 O LEU A 26 -7.631 5.513 -1.767 1.00 0.44 O ATOM 383 CB LEU A 26 -9.350 3.690 -0.214 1.00 0.44 C ATOM 384 CG LEU A 26 -10.373 2.985 0.678 1.00 0.36 C ATOM 385 CD1 LEU A 26 -9.864 1.609 1.071 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.665 3.818 1.917 1.00 0.43 C ATOM 0 H LEU A 26 -10.184 4.691 -2.585 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.224 5.597 0.228 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.227 3.106 -1.126 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.387 3.690 0.297 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.301 2.868 0.118 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.600 1.116 1.706 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -9.701 1.012 0.174 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -8.925 1.710 1.616 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.395 3.301 2.540 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.745 3.964 2.482 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -11.065 4.787 1.618 1.00 0.43 H new ATOM 398 N GLU A 27 -8.176 6.947 -0.127 1.00 0.41 N ATOM 399 CA GLU A 27 -6.960 7.731 -0.240 1.00 0.47 C ATOM 400 C GLU A 27 -5.853 7.071 0.576 1.00 0.41 C ATOM 401 O GLU A 27 -5.680 7.360 1.763 1.00 0.48 O ATOM 402 CB GLU A 27 -7.208 9.167 0.242 1.00 0.51 C ATOM 403 CG GLU A 27 -5.963 10.042 0.264 1.00 0.99 C ATOM 404 CD GLU A 27 -5.621 10.615 -1.094 1.00 1.26 C ATOM 405 OE1 GLU A 27 -6.155 11.688 -1.448 1.00 1.63 O ATOM 406 OE2 GLU A 27 -4.808 10.005 -1.812 1.00 1.82 O ATOM 0 H GLU A 27 -8.823 7.282 0.586 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.651 7.773 -1.285 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.953 9.631 -0.404 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -7.632 9.133 1.245 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -6.112 10.859 0.970 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -5.119 9.456 0.628 1.00 0.99 H new ATOM 413 N VAL A 28 -5.181 6.107 -0.033 1.00 0.40 N ATOM 414 CA VAL A 28 -4.136 5.365 0.649 1.00 0.38 C ATOM 415 C VAL A 28 -2.831 6.142 0.597 1.00 0.35 C ATOM 416 O VAL A 28 -2.173 6.200 -0.439 1.00 0.42 O ATOM 417 CB VAL A 28 -3.927 3.971 0.024 1.00 0.49 C ATOM 418 CG1 VAL A 28 -2.829 3.214 0.751 1.00 0.61 C ATOM 419 CG2 VAL A 28 -5.224 3.178 0.032 1.00 0.68 C ATOM 0 H VAL A 28 -5.342 5.821 -0.999 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.449 5.230 1.684 1.00 0.38 H new ATOM 0 HB VAL A 28 -3.617 4.106 -1.012 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.699 2.233 0.293 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -1.896 3.773 0.683 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -3.104 3.092 1.799 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -5.054 2.198 -0.413 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.569 3.055 1.059 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -5.980 3.712 -0.543 1.00 0.68 H new ATOM 429 N THR A 29 -2.493 6.791 1.691 1.00 0.31 N ATOM 430 CA THR A 29 -1.296 7.608 1.738 1.00 0.30 C ATOM 431 C THR A 29 -0.263 7.005 2.685 1.00 0.28 C ATOM 432 O THR A 29 -0.619 6.439 3.720 1.00 0.31 O ATOM 433 CB THR A 29 -1.631 9.039 2.186 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.964 9.086 2.726 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.520 10.013 1.025 1.00 0.59 C ATOM 0 H THR A 29 -3.028 6.770 2.559 1.00 0.31 H new ATOM 0 HA THR A 29 -0.877 7.639 0.732 1.00 0.30 H new ATOM 0 HB THR A 29 -0.914 9.330 2.954 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.460 9.821 2.309 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.762 11.018 1.369 1.00 0.59 H new ATOM 0 HG22 THR A 29 -0.503 9.999 0.634 1.00 0.59 H new ATOM 0 HG23 THR A 29 -2.215 9.722 0.238 1.00 0.59 H new ATOM 443 N TRP A 30 1.008 7.096 2.309 1.00 0.27 N ATOM 444 CA TRP A 30 2.089 6.555 3.122 1.00 0.28 C ATOM 445 C TRP A 30 3.401 7.252 2.788 1.00 0.27 C ATOM 446 O TRP A 30 3.467 8.044 1.848 1.00 0.33 O ATOM 447 CB TRP A 30 2.228 5.041 2.903 1.00 0.29 C ATOM 448 CG TRP A 30 2.770 4.680 1.554 1.00 0.25 C ATOM 449 CD1 TRP A 30 4.081 4.503 1.214 1.00 0.40 C ATOM 450 CD2 TRP A 30 2.013 4.456 0.364 1.00 0.25 C ATOM 451 NE1 TRP A 30 4.181 4.202 -0.120 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.925 4.160 -0.662 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.651 4.480 0.068 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.519 3.891 -1.963 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.250 4.211 -1.222 1.00 0.49 C ATOM 456 CH2 TRP A 30 1.180 3.921 -2.225 1.00 0.46 C ATOM 0 H TRP A 30 1.315 7.541 1.444 1.00 0.27 H new ATOM 0 HA TRP A 30 1.850 6.733 4.170 1.00 0.28 H new ATOM 0 HB2 TRP A 30 2.883 4.629 3.671 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.252 4.572 3.031 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.915 4.588 1.895 1.00 0.40 H new ATOM 0 HE1 TRP A 30 5.051 4.036 -0.626 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.075 4.705 0.835 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 3.236 3.666 -2.738 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -0.803 4.224 -1.463 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.832 3.717 -3.227 1.00 0.46 H new ATOM 467 N GLN A 31 4.446 6.893 3.514 1.00 0.28 N ATOM 468 CA GLN A 31 5.784 7.394 3.260 1.00 0.29 C ATOM 469 C GLN A 31 6.773 6.240 3.389 1.00 0.29 C ATOM 470 O GLN A 31 6.412 5.165 3.878 1.00 0.29 O ATOM 471 CB GLN A 31 6.138 8.506 4.256 1.00 0.32 C ATOM 472 CG GLN A 31 5.340 9.788 4.067 1.00 0.64 C ATOM 473 CD GLN A 31 5.550 10.431 2.710 1.00 0.85 C ATOM 474 OE1 GLN A 31 4.635 11.034 2.151 1.00 1.65 O ATOM 475 NE2 GLN A 31 6.759 10.338 2.181 1.00 0.79 N ATOM 0 H GLN A 31 4.389 6.244 4.299 1.00 0.28 H new ATOM 0 HA GLN A 31 5.831 7.811 2.254 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.977 8.137 5.269 1.00 0.32 H new ATOM 0 HB3 GLN A 31 7.200 8.735 4.166 1.00 0.32 H new ATOM 0 HG2 GLN A 31 4.280 9.571 4.198 1.00 0.64 H new ATOM 0 HG3 GLN A 31 5.618 10.499 4.845 1.00 0.64 H new ATOM 0 HE21 GLN A 31 7.493 9.830 2.674 1.00 0.79 H new ATOM 0 HE22 GLN A 31 6.957 10.775 1.281 1.00 0.79 H new ATOM 484 N THR A 32 8.021 6.462 3.006 1.00 0.34 N ATOM 485 CA THR A 32 9.043 5.439 3.167 1.00 0.36 C ATOM 486 C THR A 32 9.380 5.278 4.644 1.00 0.41 C ATOM 487 O THR A 32 9.125 6.180 5.444 1.00 0.49 O ATOM 488 CB THR A 32 10.330 5.785 2.392 1.00 0.42 C ATOM 489 OG1 THR A 32 10.525 7.207 2.376 1.00 0.49 O ATOM 490 CG2 THR A 32 10.263 5.263 0.966 1.00 0.49 C ATOM 0 H THR A 32 8.348 7.332 2.586 1.00 0.34 H new ATOM 0 HA THR A 32 8.643 4.509 2.764 1.00 0.36 H new ATOM 0 HB THR A 32 11.170 5.307 2.897 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.345 7.419 1.884 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.183 5.520 0.441 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.144 4.180 0.980 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.414 5.714 0.453 1.00 0.49 H new ATOM 498 N PRO A 33 9.960 4.136 5.034 1.00 0.39 N ATOM 499 CA PRO A 33 10.360 3.899 6.422 1.00 0.46 C ATOM 500 C PRO A 33 11.431 4.888 6.872 1.00 0.56 C ATOM 501 O PRO A 33 12.093 5.515 6.045 1.00 0.60 O ATOM 502 CB PRO A 33 10.926 2.479 6.395 1.00 0.46 C ATOM 503 CG PRO A 33 11.316 2.254 4.975 1.00 0.42 C ATOM 504 CD PRO A 33 10.306 3.005 4.160 1.00 0.35 C ATOM 0 HA PRO A 33 9.531 4.022 7.118 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.783 2.382 7.061 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.184 1.751 6.722 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.325 2.618 4.782 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.308 1.192 4.729 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.721 3.340 3.210 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.435 2.391 3.929 1.00 0.35 H new ATOM 512 N SER A 34 11.620 5.003 8.175 1.00 0.66 N ATOM 513 CA SER A 34 12.611 5.918 8.722 1.00 0.80 C ATOM 514 C SER A 34 14.029 5.448 8.399 1.00 0.86 C ATOM 515 O SER A 34 14.976 6.229 8.425 1.00 0.96 O ATOM 516 CB SER A 34 12.413 6.037 10.229 1.00 0.92 C ATOM 517 OG SER A 34 11.202 5.407 10.628 1.00 1.02 O ATOM 0 H SER A 34 11.101 4.474 8.876 1.00 0.66 H new ATOM 0 HA SER A 34 12.477 6.898 8.264 1.00 0.80 H new ATOM 0 HB2 SER A 34 13.255 5.580 10.749 1.00 0.92 H new ATOM 0 HB3 SER A 34 12.394 7.088 10.516 1.00 0.92 H new ATOM 0 HG SER A 34 10.439 5.929 10.303 1.00 1.02 H new ATOM 523 N THR A 35 14.161 4.175 8.057 1.00 0.82 N ATOM 524 CA THR A 35 15.449 3.609 7.698 1.00 0.91 C ATOM 525 C THR A 35 15.724 3.761 6.199 1.00 0.92 C ATOM 526 O THR A 35 16.768 3.337 5.702 1.00 1.11 O ATOM 527 CB THR A 35 15.511 2.123 8.085 1.00 0.89 C ATOM 528 OG1 THR A 35 14.428 1.819 8.975 1.00 0.85 O ATOM 529 CG2 THR A 35 16.836 1.794 8.757 1.00 1.08 C ATOM 0 H THR A 35 13.386 3.513 8.021 1.00 0.82 H new ATOM 0 HA THR A 35 16.214 4.157 8.248 1.00 0.91 H new ATOM 0 HB THR A 35 15.427 1.521 7.180 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.630 0.996 9.467 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.857 0.737 9.022 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.655 2.013 8.072 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.946 2.396 9.659 1.00 1.08 H new ATOM 537 N TRP A 36 14.802 4.401 5.492 1.00 0.80 N ATOM 538 CA TRP A 36 14.976 4.661 4.072 1.00 0.83 C ATOM 539 C TRP A 36 15.095 6.161 3.825 1.00 1.00 C ATOM 540 O TRP A 36 14.118 6.896 3.957 1.00 1.09 O ATOM 541 CB TRP A 36 13.810 4.086 3.273 1.00 0.74 C ATOM 542 CG TRP A 36 14.185 3.726 1.874 1.00 0.78 C ATOM 543 CD1 TRP A 36 13.842 4.398 0.738 1.00 0.86 C ATOM 544 CD2 TRP A 36 14.975 2.609 1.456 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.379 3.775 -0.359 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.077 2.672 0.054 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.608 1.562 2.132 1.00 0.97 C ATOM 548 CZ2 TRP A 36 15.787 1.729 -0.684 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.310 0.627 1.398 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.396 0.715 0.002 1.00 1.21 C ATOM 0 H TRP A 36 13.926 4.749 5.881 1.00 0.80 H new ATOM 0 HA TRP A 36 15.893 4.174 3.741 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.430 3.200 3.781 1.00 0.74 H new ATOM 0 HB3 TRP A 36 12.998 4.813 3.250 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.236 5.291 0.707 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.275 4.083 -1.326 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.549 1.486 3.208 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 15.854 1.796 -1.760 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 16.802 -0.187 1.909 1.00 1.14 H new ATOM 0 HH2 TRP A 36 16.954 -0.032 -0.542 1.00 1.21 H new ATOM 561 N PRO A 37 16.322 6.647 3.590 1.00 1.20 N ATOM 562 CA PRO A 37 16.594 8.080 3.453 1.00 1.44 C ATOM 563 C PRO A 37 16.164 8.640 2.099 1.00 1.34 C ATOM 564 O PRO A 37 15.650 9.754 2.016 1.00 1.49 O ATOM 565 CB PRO A 37 18.119 8.183 3.606 1.00 1.76 C ATOM 566 CG PRO A 37 18.576 6.839 4.069 1.00 1.78 C ATOM 567 CD PRO A 37 17.559 5.857 3.568 1.00 1.34 C ATOM 0 HA PRO A 37 16.036 8.658 4.190 1.00 1.44 H new ATOM 0 HB2 PRO A 37 18.589 8.451 2.660 1.00 1.76 H new ATOM 0 HB3 PRO A 37 18.388 8.956 4.326 1.00 1.76 H new ATOM 0 HG2 PRO A 37 19.566 6.608 3.677 1.00 1.78 H new ATOM 0 HG3 PRO A 37 18.648 6.805 5.156 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.797 5.502 2.565 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.492 4.979 4.210 1.00 1.34 H new ATOM 575 N ASP A 38 16.440 7.891 1.037 1.00 1.33 N ATOM 576 CA ASP A 38 16.148 8.338 -0.325 1.00 1.35 C ATOM 577 C ASP A 38 14.760 7.891 -0.769 1.00 1.29 C ATOM 578 O ASP A 38 14.549 6.721 -1.076 1.00 1.42 O ATOM 579 CB ASP A 38 17.191 7.784 -1.292 1.00 1.65 C ATOM 580 CG ASP A 38 18.310 8.760 -1.570 1.00 1.90 C ATOM 581 OD1 ASP A 38 18.026 9.959 -1.768 1.00 2.28 O ATOM 582 OD2 ASP A 38 19.477 8.327 -1.609 1.00 2.16 O ATOM 0 H ASP A 38 16.868 6.967 1.091 1.00 1.33 H new ATOM 0 HA ASP A 38 16.179 9.428 -0.332 1.00 1.35 H new ATOM 0 HB2 ASP A 38 17.610 6.866 -0.880 1.00 1.65 H new ATOM 0 HB3 ASP A 38 16.705 7.519 -2.231 1.00 1.65 H new ATOM 587 N PRO A 39 13.788 8.812 -0.806 1.00 1.31 N ATOM 588 CA PRO A 39 12.409 8.482 -1.171 1.00 1.44 C ATOM 589 C PRO A 39 12.205 8.315 -2.679 1.00 1.61 C ATOM 590 O PRO A 39 11.279 7.628 -3.108 1.00 1.84 O ATOM 591 CB PRO A 39 11.622 9.682 -0.653 1.00 1.62 C ATOM 592 CG PRO A 39 12.582 10.817 -0.714 1.00 1.69 C ATOM 593 CD PRO A 39 13.940 10.231 -0.441 1.00 1.44 C ATOM 0 HA PRO A 39 12.099 7.525 -0.751 1.00 1.44 H new ATOM 0 HB2 PRO A 39 10.742 9.874 -1.267 1.00 1.62 H new ATOM 0 HB3 PRO A 39 11.270 9.515 0.365 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.555 11.298 -1.692 1.00 1.69 H new ATOM 0 HG3 PRO A 39 12.331 11.579 0.024 1.00 1.69 H new ATOM 0 HD2 PRO A 39 14.713 10.717 -1.036 1.00 1.44 H new ATOM 0 HD3 PRO A 39 14.223 10.347 0.605 1.00 1.44 H new ATOM 601 N GLU A 40 13.010 9.010 -3.479 1.00 1.57 N ATOM 602 CA GLU A 40 12.856 8.973 -4.931 1.00 1.76 C ATOM 603 C GLU A 40 14.103 8.405 -5.602 1.00 1.76 C ATOM 604 O GLU A 40 14.004 7.631 -6.555 1.00 1.90 O ATOM 605 CB GLU A 40 12.552 10.369 -5.490 1.00 1.90 C ATOM 606 CG GLU A 40 12.595 11.479 -4.453 1.00 2.12 C ATOM 607 CD GLU A 40 14.005 11.931 -4.149 1.00 2.36 C ATOM 608 OE1 GLU A 40 14.698 11.239 -3.374 1.00 2.91 O ATOM 609 OE2 GLU A 40 14.429 12.972 -4.692 1.00 2.63 O ATOM 0 H GLU A 40 13.772 9.603 -3.149 1.00 1.57 H new ATOM 0 HA GLU A 40 12.013 8.318 -5.152 1.00 1.76 H new ATOM 0 HB2 GLU A 40 13.269 10.596 -6.279 1.00 1.90 H new ATOM 0 HB3 GLU A 40 11.564 10.356 -5.951 1.00 1.90 H new ATOM 0 HG2 GLU A 40 12.013 12.329 -4.810 1.00 2.12 H new ATOM 0 HG3 GLU A 40 12.122 11.132 -3.534 1.00 2.12 H new ATOM 616 N SER A 41 15.276 8.796 -5.108 1.00 1.67 N ATOM 617 CA SER A 41 16.542 8.322 -5.661 1.00 1.75 C ATOM 618 C SER A 41 16.661 6.806 -5.527 1.00 1.63 C ATOM 619 O SER A 41 17.226 6.135 -6.393 1.00 1.67 O ATOM 620 CB SER A 41 17.709 9.010 -4.958 1.00 1.82 C ATOM 621 OG SER A 41 17.266 10.165 -4.268 1.00 1.89 O ATOM 0 H SER A 41 15.376 9.441 -4.324 1.00 1.67 H new ATOM 0 HA SER A 41 16.570 8.571 -6.722 1.00 1.75 H new ATOM 0 HB2 SER A 41 18.177 8.319 -4.257 1.00 1.82 H new ATOM 0 HB3 SER A 41 18.469 9.286 -5.689 1.00 1.82 H new ATOM 0 HG SER A 41 17.828 10.310 -3.479 1.00 1.89 H new ATOM 627 N PHE A 42 16.005 6.267 -4.509 1.00 1.51 N ATOM 628 CA PHE A 42 15.903 4.828 -4.339 1.00 1.41 C ATOM 629 C PHE A 42 14.444 4.413 -4.469 1.00 1.27 C ATOM 630 O PHE A 42 13.670 4.543 -3.517 1.00 1.40 O ATOM 631 CB PHE A 42 16.458 4.407 -2.977 1.00 1.58 C ATOM 632 CG PHE A 42 17.921 4.073 -2.998 1.00 2.08 C ATOM 633 CD1 PHE A 42 18.345 2.782 -3.262 1.00 2.54 C ATOM 634 CD2 PHE A 42 18.870 5.051 -2.755 1.00 2.38 C ATOM 635 CE1 PHE A 42 19.691 2.473 -3.286 1.00 3.12 C ATOM 636 CE2 PHE A 42 20.216 4.748 -2.777 1.00 3.01 C ATOM 637 CZ PHE A 42 20.625 3.450 -3.032 1.00 3.32 C ATOM 0 H PHE A 42 15.534 6.810 -3.786 1.00 1.51 H new ATOM 0 HA PHE A 42 16.492 4.332 -5.110 1.00 1.41 H new ATOM 0 HB2 PHE A 42 16.288 5.211 -2.261 1.00 1.58 H new ATOM 0 HB3 PHE A 42 15.902 3.540 -2.620 1.00 1.58 H new ATOM 0 HD1 PHE A 42 17.616 2.008 -3.451 1.00 2.54 H new ATOM 0 HD2 PHE A 42 18.553 6.062 -2.546 1.00 2.38 H new ATOM 0 HE1 PHE A 42 20.010 1.464 -3.504 1.00 3.12 H new ATOM 0 HE2 PHE A 42 20.948 5.521 -2.596 1.00 3.01 H new ATOM 0 HZ PHE A 42 21.677 3.205 -3.031 1.00 3.32 H new ATOM 647 N PRO A 43 14.011 4.073 -5.697 1.00 1.24 N ATOM 648 CA PRO A 43 12.601 3.796 -5.999 1.00 1.33 C ATOM 649 C PRO A 43 12.098 2.508 -5.357 1.00 1.26 C ATOM 650 O PRO A 43 11.936 1.483 -6.028 1.00 1.97 O ATOM 651 CB PRO A 43 12.568 3.683 -7.527 1.00 1.58 C ATOM 652 CG PRO A 43 13.969 3.379 -7.923 1.00 1.75 C ATOM 653 CD PRO A 43 14.840 4.065 -6.912 1.00 1.40 C ATOM 0 HA PRO A 43 11.950 4.576 -5.603 1.00 1.33 H new ATOM 0 HB2 PRO A 43 11.887 2.895 -7.849 1.00 1.58 H new ATOM 0 HB3 PRO A 43 12.222 4.610 -7.984 1.00 1.58 H new ATOM 0 HG2 PRO A 43 14.149 2.304 -7.928 1.00 1.75 H new ATOM 0 HG3 PRO A 43 14.178 3.742 -8.929 1.00 1.75 H new ATOM 0 HD2 PRO A 43 15.775 3.527 -6.757 1.00 1.40 H new ATOM 0 HD3 PRO A 43 15.102 5.075 -7.227 1.00 1.40 H new ATOM 661 N LEU A 44 11.814 2.586 -4.065 1.00 0.98 N ATOM 662 CA LEU A 44 11.273 1.464 -3.319 1.00 0.82 C ATOM 663 C LEU A 44 9.933 1.046 -3.907 1.00 0.78 C ATOM 664 O LEU A 44 8.990 1.834 -3.949 1.00 0.98 O ATOM 665 CB LEU A 44 11.104 1.847 -1.847 1.00 0.83 C ATOM 666 CG LEU A 44 11.422 0.739 -0.838 1.00 0.70 C ATOM 667 CD1 LEU A 44 12.770 0.107 -1.141 1.00 1.54 C ATOM 668 CD2 LEU A 44 11.394 1.294 0.577 1.00 1.29 C ATOM 0 H LEU A 44 11.953 3.428 -3.507 1.00 0.98 H new ATOM 0 HA LEU A 44 11.966 0.625 -3.388 1.00 0.82 H new ATOM 0 HB2 LEU A 44 11.746 2.702 -1.636 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.076 2.174 -1.690 1.00 0.83 H new ATOM 0 HG LEU A 44 10.660 -0.036 -0.922 1.00 0.70 H new ATOM 0 HD11 LEU A 44 12.976 -0.677 -0.413 1.00 1.54 H new ATOM 0 HD12 LEU A 44 12.753 -0.323 -2.142 1.00 1.54 H new ATOM 0 HD13 LEU A 44 13.549 0.867 -1.086 1.00 1.54 H new ATOM 0 HD21 LEU A 44 11.621 0.497 1.285 1.00 1.29 H new ATOM 0 HD22 LEU A 44 12.136 2.086 0.672 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.404 1.697 0.790 1.00 1.29 H new ATOM 680 N LYS A 45 9.865 -0.177 -4.394 1.00 0.70 N ATOM 681 CA LYS A 45 8.647 -0.691 -4.984 1.00 0.68 C ATOM 682 C LYS A 45 7.674 -1.100 -3.891 1.00 0.60 C ATOM 683 O LYS A 45 7.900 -2.084 -3.183 1.00 0.76 O ATOM 684 CB LYS A 45 8.954 -1.883 -5.888 1.00 0.78 C ATOM 685 CG LYS A 45 8.895 -1.559 -7.368 1.00 1.13 C ATOM 686 CD LYS A 45 9.451 -2.697 -8.206 1.00 1.25 C ATOM 687 CE LYS A 45 8.820 -2.728 -9.586 1.00 1.41 C ATOM 688 NZ LYS A 45 8.812 -4.096 -10.165 1.00 1.75 N ATOM 0 H LYS A 45 10.644 -0.836 -4.392 1.00 0.70 H new ATOM 0 HA LYS A 45 8.193 0.094 -5.589 1.00 0.68 H new ATOM 0 HB2 LYS A 45 9.947 -2.263 -5.648 1.00 0.78 H new ATOM 0 HB3 LYS A 45 8.246 -2.683 -5.672 1.00 0.78 H new ATOM 0 HG2 LYS A 45 7.863 -1.362 -7.658 1.00 1.13 H new ATOM 0 HG3 LYS A 45 9.461 -0.649 -7.566 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.531 -2.587 -8.301 1.00 1.25 H new ATOM 0 HD3 LYS A 45 9.270 -3.645 -7.700 1.00 1.25 H new ATOM 0 HE2 LYS A 45 7.798 -2.354 -9.525 1.00 1.41 H new ATOM 0 HE3 LYS A 45 9.366 -2.057 -10.249 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 9.379 -4.107 -11.037 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 9.217 -4.765 -9.480 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 7.834 -4.374 -10.385 1.00 1.75 H new ATOM 702 N PHE A 46 6.636 -0.304 -3.713 1.00 0.46 N ATOM 703 CA PHE A 46 5.643 -0.572 -2.694 1.00 0.41 C ATOM 704 C PHE A 46 4.577 -1.496 -3.249 1.00 0.44 C ATOM 705 O PHE A 46 3.784 -1.105 -4.105 1.00 0.58 O ATOM 706 CB PHE A 46 5.021 0.733 -2.199 1.00 0.42 C ATOM 707 CG PHE A 46 5.940 1.528 -1.319 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.111 1.184 0.013 1.00 0.41 C ATOM 709 CD2 PHE A 46 6.635 2.616 -1.822 1.00 0.45 C ATOM 710 CE1 PHE A 46 6.956 1.912 0.828 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.480 3.347 -1.011 1.00 0.48 C ATOM 712 CZ PHE A 46 7.642 2.994 0.315 1.00 0.47 C ATOM 0 H PHE A 46 6.460 0.536 -4.264 1.00 0.46 H new ATOM 0 HA PHE A 46 6.125 -1.060 -1.847 1.00 0.41 H new ATOM 0 HB2 PHE A 46 4.735 1.340 -3.058 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.107 0.507 -1.649 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.577 0.337 0.418 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.515 2.895 -2.858 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.080 1.635 1.865 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.015 4.195 -1.413 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.305 3.564 0.949 1.00 0.47 H new ATOM 722 N PHE A 47 4.629 -2.748 -2.832 1.00 0.40 N ATOM 723 CA PHE A 47 3.716 -3.760 -3.331 1.00 0.44 C ATOM 724 C PHE A 47 2.425 -3.742 -2.533 1.00 0.39 C ATOM 725 O PHE A 47 2.244 -4.531 -1.602 1.00 0.59 O ATOM 726 CB PHE A 47 4.359 -5.144 -3.256 1.00 0.55 C ATOM 727 CG PHE A 47 5.701 -5.217 -3.922 1.00 0.53 C ATOM 728 CD1 PHE A 47 5.834 -4.939 -5.274 1.00 0.60 C ATOM 729 CD2 PHE A 47 6.830 -5.555 -3.197 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.069 -5.000 -5.888 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.067 -5.616 -3.806 1.00 0.75 C ATOM 732 CZ PHE A 47 8.187 -5.338 -5.154 1.00 0.73 C ATOM 0 H PHE A 47 5.299 -3.090 -2.144 1.00 0.40 H new ATOM 0 HA PHE A 47 3.490 -3.537 -4.374 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.465 -5.430 -2.210 1.00 0.55 H new ATOM 0 HB3 PHE A 47 3.692 -5.871 -3.719 1.00 0.55 H new ATOM 0 HD1 PHE A 47 4.962 -4.672 -5.853 1.00 0.60 H new ATOM 0 HD2 PHE A 47 6.742 -5.773 -2.143 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.160 -4.783 -6.942 1.00 0.68 H new ATOM 0 HE2 PHE A 47 8.941 -5.881 -3.229 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.154 -5.385 -5.632 1.00 0.73 H new ATOM 742 N LEU A 48 1.548 -2.820 -2.884 1.00 0.33 N ATOM 743 CA LEU A 48 0.282 -2.666 -2.197 1.00 0.35 C ATOM 744 C LEU A 48 -0.741 -3.652 -2.727 1.00 0.35 C ATOM 745 O LEU A 48 -1.206 -3.529 -3.859 1.00 0.57 O ATOM 746 CB LEU A 48 -0.246 -1.241 -2.358 1.00 0.44 C ATOM 747 CG LEU A 48 -0.029 -0.336 -1.148 1.00 0.72 C ATOM 748 CD1 LEU A 48 1.357 0.282 -1.199 1.00 1.02 C ATOM 749 CD2 LEU A 48 -1.091 0.749 -1.088 1.00 1.05 C ATOM 0 H LEU A 48 1.693 -2.161 -3.649 1.00 0.33 H new ATOM 0 HA LEU A 48 0.449 -2.866 -1.139 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.234 -0.787 -3.224 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -1.314 -1.287 -2.573 1.00 0.44 H new ATOM 0 HG LEU A 48 -0.111 -0.942 -0.246 1.00 0.72 H new ATOM 0 HD11 LEU A 48 1.501 0.926 -0.331 1.00 1.02 H new ATOM 0 HD12 LEU A 48 2.108 -0.508 -1.193 1.00 1.02 H new ATOM 0 HD13 LEU A 48 1.459 0.873 -2.109 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -0.916 1.382 -0.218 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -1.043 1.355 -1.993 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.076 0.290 -1.010 1.00 1.05 H new ATOM 761 N ARG A 49 -1.145 -4.578 -1.881 1.00 0.26 N ATOM 762 CA ARG A 49 -2.203 -5.508 -2.227 1.00 0.27 C ATOM 763 C ARG A 49 -3.409 -5.237 -1.352 1.00 0.24 C ATOM 764 O ARG A 49 -3.279 -5.133 -0.136 1.00 0.30 O ATOM 765 CB ARG A 49 -1.749 -6.964 -2.059 1.00 0.34 C ATOM 766 CG ARG A 49 -0.779 -7.178 -0.905 1.00 0.44 C ATOM 767 CD ARG A 49 -0.267 -8.608 -0.869 1.00 0.75 C ATOM 768 NE ARG A 49 0.169 -9.071 -2.187 1.00 1.07 N ATOM 769 CZ ARG A 49 0.100 -10.342 -2.590 1.00 1.28 C ATOM 770 NH1 ARG A 49 -0.357 -11.278 -1.766 1.00 1.64 N ATOM 771 NH2 ARG A 49 0.505 -10.680 -3.805 1.00 2.02 N ATOM 0 H ARG A 49 -0.756 -4.707 -0.947 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.462 -5.362 -3.276 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.626 -7.592 -1.905 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.277 -7.296 -2.984 1.00 0.34 H new ATOM 0 HG2 ARG A 49 0.062 -6.491 -1.002 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.275 -6.944 0.037 1.00 0.44 H new ATOM 0 HD2 ARG A 49 0.565 -8.677 -0.168 1.00 0.75 H new ATOM 0 HD3 ARG A 49 -1.053 -9.265 -0.497 1.00 0.75 H new ATOM 0 HE ARG A 49 0.548 -8.382 -2.836 1.00 1.07 H new ATOM 0 HH11 ARG A 49 -0.656 -11.026 -0.824 1.00 1.64 H new ATOM 0 HH12 ARG A 49 -0.409 -12.249 -2.075 1.00 1.64 H new ATOM 0 HH21 ARG A 49 0.871 -9.968 -4.437 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.450 -11.652 -4.109 1.00 2.02 H new ATOM 785 N TYR A 50 -4.572 -5.090 -1.964 1.00 0.26 N ATOM 786 CA TYR A 50 -5.783 -4.821 -1.208 1.00 0.27 C ATOM 787 C TYR A 50 -6.842 -5.882 -1.472 1.00 0.28 C ATOM 788 O TYR A 50 -7.525 -5.866 -2.498 1.00 0.36 O ATOM 789 CB TYR A 50 -6.347 -3.426 -1.497 1.00 0.35 C ATOM 790 CG TYR A 50 -5.906 -2.793 -2.801 1.00 0.49 C ATOM 791 CD1 TYR A 50 -4.734 -2.052 -2.877 1.00 0.70 C ATOM 792 CD2 TYR A 50 -6.687 -2.900 -3.946 1.00 0.60 C ATOM 793 CE1 TYR A 50 -4.347 -1.444 -4.056 1.00 0.90 C ATOM 794 CE2 TYR A 50 -6.311 -2.288 -5.127 1.00 0.79 C ATOM 795 CZ TYR A 50 -5.141 -1.562 -5.177 1.00 0.90 C ATOM 796 OH TYR A 50 -4.771 -0.934 -6.346 1.00 1.13 O ATOM 0 H TYR A 50 -4.703 -5.152 -2.974 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.508 -4.855 -0.154 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.435 -3.487 -1.495 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -6.063 -2.764 -0.679 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.114 -1.949 -1.999 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -7.603 -3.471 -3.912 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -3.427 -0.879 -4.099 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -6.931 -2.378 -6.006 1.00 0.79 H new ATOM 0 HH TYR A 50 -4.035 -0.313 -6.165 1.00 1.13 H new ATOM 806 N ARG A 51 -6.939 -6.822 -0.548 1.00 0.29 N ATOM 807 CA ARG A 51 -7.909 -7.900 -0.634 1.00 0.34 C ATOM 808 C ARG A 51 -9.191 -7.528 0.098 1.00 0.29 C ATOM 809 O ARG A 51 -9.151 -7.129 1.261 1.00 0.33 O ATOM 810 CB ARG A 51 -7.327 -9.184 -0.032 1.00 0.46 C ATOM 811 CG ARG A 51 -8.051 -10.450 -0.457 1.00 0.64 C ATOM 812 CD ARG A 51 -7.569 -11.661 0.325 1.00 1.25 C ATOM 813 NE ARG A 51 -8.151 -11.713 1.663 1.00 1.72 N ATOM 814 CZ ARG A 51 -7.433 -11.762 2.782 1.00 2.29 C ATOM 815 NH1 ARG A 51 -6.110 -11.857 2.719 1.00 2.62 N ATOM 816 NH2 ARG A 51 -8.040 -11.735 3.961 1.00 3.10 N ATOM 0 H ARG A 51 -6.348 -6.860 0.283 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.141 -8.068 -1.686 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.278 -9.264 -0.318 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.356 -9.109 1.055 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.123 -10.324 -0.308 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.895 -10.619 -1.522 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -7.827 -12.570 -0.218 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -6.482 -11.634 0.403 1.00 1.25 H new ATOM 0 HE ARG A 51 -9.168 -11.712 1.745 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -5.644 -11.892 1.812 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -5.560 -11.895 3.577 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -9.057 -11.677 4.010 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -7.490 -11.773 4.819 1.00 3.10 H new ATOM 830 N PRO A 52 -10.349 -7.720 -0.540 1.00 0.32 N ATOM 831 CA PRO A 52 -11.631 -7.546 0.128 1.00 0.38 C ATOM 832 C PRO A 52 -11.795 -8.577 1.237 1.00 0.44 C ATOM 833 O PRO A 52 -11.416 -9.736 1.070 1.00 0.51 O ATOM 834 CB PRO A 52 -12.660 -7.770 -0.981 1.00 0.52 C ATOM 835 CG PRO A 52 -11.948 -8.562 -2.025 1.00 0.65 C ATOM 836 CD PRO A 52 -10.494 -8.201 -1.923 1.00 0.45 C ATOM 0 HA PRO A 52 -11.735 -6.569 0.600 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.531 -8.307 -0.606 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -13.018 -6.822 -1.383 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.094 -9.631 -1.867 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.335 -8.331 -3.017 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -9.853 -9.061 -2.117 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.221 -7.431 -2.645 1.00 0.45 H new ATOM 844 N LEU A 53 -12.242 -8.136 2.402 1.00 0.50 N ATOM 845 CA LEU A 53 -12.309 -9.003 3.576 1.00 0.65 C ATOM 846 C LEU A 53 -13.272 -10.177 3.382 1.00 0.81 C ATOM 847 O LEU A 53 -13.380 -11.047 4.244 1.00 1.22 O ATOM 848 CB LEU A 53 -12.730 -8.189 4.799 1.00 0.70 C ATOM 849 CG LEU A 53 -11.684 -8.110 5.909 1.00 0.82 C ATOM 850 CD1 LEU A 53 -10.519 -7.230 5.487 1.00 1.32 C ATOM 851 CD2 LEU A 53 -12.312 -7.585 7.187 1.00 1.40 C ATOM 0 H LEU A 53 -12.565 -7.182 2.564 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.313 -9.420 3.727 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -12.974 -7.177 4.477 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -13.642 -8.622 5.209 1.00 0.70 H new ATOM 0 HG LEU A 53 -11.302 -9.114 6.096 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -9.785 -7.187 6.292 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.054 -7.646 4.594 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -10.881 -6.225 5.273 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -11.555 -7.534 7.970 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -12.719 -6.589 7.010 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -13.113 -8.254 7.500 1.00 1.40 H new ATOM 863 N ILE A 54 -13.991 -10.183 2.270 1.00 0.85 N ATOM 864 CA ILE A 54 -14.970 -11.224 1.999 1.00 1.01 C ATOM 865 C ILE A 54 -14.632 -12.004 0.731 1.00 1.08 C ATOM 866 O ILE A 54 -15.461 -12.765 0.225 1.00 1.34 O ATOM 867 CB ILE A 54 -16.377 -10.618 1.840 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.384 -9.617 0.683 1.00 1.12 C ATOM 869 CG2 ILE A 54 -16.825 -9.952 3.133 1.00 1.27 C ATOM 870 CD1 ILE A 54 -17.671 -9.610 -0.110 1.00 1.46 C ATOM 0 H ILE A 54 -13.914 -9.476 1.539 1.00 0.85 H new ATOM 0 HA ILE A 54 -14.948 -11.905 2.850 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.081 -11.419 1.615 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.207 -8.617 1.079 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.556 -9.846 0.012 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -17.821 -9.530 2.999 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -16.848 -10.691 3.934 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.127 -9.157 3.394 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -17.600 -8.876 -0.912 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -17.841 -10.598 -0.537 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.502 -9.351 0.547 1.00 1.46 H new ATOM 882 N LEU A 55 -13.443 -11.778 0.181 1.00 0.95 N ATOM 883 CA LEU A 55 -13.057 -12.425 -1.065 1.00 1.10 C ATOM 884 C LEU A 55 -11.548 -12.603 -1.137 1.00 1.12 C ATOM 885 O LEU A 55 -10.793 -11.680 -0.846 1.00 1.51 O ATOM 886 CB LEU A 55 -13.540 -11.594 -2.255 1.00 1.25 C ATOM 887 CG LEU A 55 -14.139 -12.390 -3.411 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.654 -12.393 -3.324 1.00 1.69 C ATOM 889 CD2 LEU A 55 -13.685 -11.811 -4.738 1.00 2.11 C ATOM 0 H LEU A 55 -12.737 -11.157 0.575 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.522 -13.410 -1.099 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -14.287 -10.883 -1.901 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.700 -11.012 -2.634 1.00 1.25 H new ATOM 0 HG LEU A 55 -13.789 -13.420 -3.343 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -16.065 -12.965 -4.156 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -15.964 -12.848 -2.383 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -16.023 -11.368 -3.371 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -14.119 -12.388 -5.554 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -14.011 -10.774 -4.813 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -12.598 -11.855 -4.801 1.00 2.11 H new ATOM 901 N ASP A 56 -11.115 -13.774 -1.579 1.00 1.38 N ATOM 902 CA ASP A 56 -9.689 -14.060 -1.728 1.00 1.54 C ATOM 903 C ASP A 56 -9.169 -13.495 -3.045 1.00 1.19 C ATOM 904 O ASP A 56 -8.855 -14.234 -3.976 1.00 1.44 O ATOM 905 CB ASP A 56 -9.431 -15.568 -1.657 1.00 2.08 C ATOM 906 CG ASP A 56 -7.982 -15.904 -1.350 1.00 2.58 C ATOM 907 OD1 ASP A 56 -7.146 -15.873 -2.281 1.00 2.90 O ATOM 908 OD2 ASP A 56 -7.665 -16.199 -0.179 1.00 2.89 O ATOM 0 H ASP A 56 -11.729 -14.545 -1.842 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.155 -13.580 -0.908 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -10.071 -16.006 -0.891 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.712 -16.025 -2.606 1.00 2.08 H new ATOM 913 N GLN A 57 -9.126 -12.176 -3.127 1.00 0.83 N ATOM 914 CA GLN A 57 -8.690 -11.496 -4.335 1.00 0.93 C ATOM 915 C GLN A 57 -7.564 -10.520 -4.020 1.00 0.79 C ATOM 916 O GLN A 57 -7.801 -9.335 -3.786 1.00 0.82 O ATOM 917 CB GLN A 57 -9.864 -10.752 -4.974 1.00 1.30 C ATOM 918 CG GLN A 57 -10.383 -11.412 -6.240 1.00 1.81 C ATOM 919 CD GLN A 57 -10.053 -10.620 -7.487 1.00 2.19 C ATOM 920 OE1 GLN A 57 -9.029 -9.940 -7.555 1.00 2.89 O ATOM 921 NE2 GLN A 57 -10.918 -10.703 -8.481 1.00 2.43 N ATOM 0 H GLN A 57 -9.390 -11.551 -2.365 1.00 0.83 H new ATOM 0 HA GLN A 57 -8.319 -12.242 -5.037 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.677 -10.682 -4.251 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.555 -9.733 -5.206 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -9.956 -12.411 -6.325 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -11.464 -11.532 -6.166 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -11.754 -11.278 -8.383 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -10.750 -10.192 -9.347 1.00 2.43 H new ATOM 930 N TRP A 58 -6.342 -11.032 -3.974 1.00 0.73 N ATOM 931 CA TRP A 58 -5.185 -10.212 -3.676 1.00 0.63 C ATOM 932 C TRP A 58 -4.864 -9.305 -4.850 1.00 0.67 C ATOM 933 O TRP A 58 -4.486 -9.770 -5.926 1.00 0.76 O ATOM 934 CB TRP A 58 -3.976 -11.084 -3.332 1.00 0.71 C ATOM 935 CG TRP A 58 -3.754 -11.202 -1.859 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.433 -12.323 -1.154 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.851 -10.144 -0.913 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.307 -12.015 0.182 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.561 -10.680 0.353 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.149 -8.790 -1.020 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.564 -9.896 1.505 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.152 -8.020 0.116 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.862 -8.566 1.359 1.00 0.49 C ATOM 0 H TRP A 58 -6.130 -12.016 -4.141 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.419 -9.593 -2.809 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -4.118 -12.078 -3.755 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -3.085 -10.663 -3.798 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.298 -13.306 -1.580 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -3.064 -12.673 0.923 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.374 -8.352 -1.981 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.341 -10.319 2.473 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.385 -6.968 0.041 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.871 -7.928 2.231 1.00 0.49 H new ATOM 954 N GLN A 59 -5.056 -8.012 -4.654 1.00 0.70 N ATOM 955 CA GLN A 59 -4.818 -7.050 -5.717 1.00 0.79 C ATOM 956 C GLN A 59 -3.477 -6.365 -5.521 1.00 0.95 C ATOM 957 O GLN A 59 -3.398 -5.306 -4.904 1.00 1.64 O ATOM 958 CB GLN A 59 -5.942 -6.016 -5.777 1.00 1.06 C ATOM 959 CG GLN A 59 -6.243 -5.524 -7.186 1.00 1.36 C ATOM 960 CD GLN A 59 -5.913 -6.553 -8.253 1.00 1.68 C ATOM 961 OE1 GLN A 59 -4.780 -6.628 -8.733 1.00 2.39 O ATOM 962 NE2 GLN A 59 -6.896 -7.354 -8.624 1.00 2.14 N ATOM 0 H GLN A 59 -5.374 -7.605 -3.774 1.00 0.70 H new ATOM 0 HA GLN A 59 -4.799 -7.588 -6.665 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -6.847 -6.450 -5.352 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -5.674 -5.163 -5.153 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -7.298 -5.261 -7.256 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -5.674 -4.614 -7.377 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -7.819 -7.258 -8.201 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -6.732 -8.068 -9.333 1.00 2.14 H new ATOM 971 N HIS A 60 -2.419 -7.029 -5.968 1.00 0.80 N ATOM 972 CA HIS A 60 -1.064 -6.534 -5.773 1.00 1.11 C ATOM 973 C HIS A 60 -0.711 -5.487 -6.828 1.00 0.88 C ATOM 974 O HIS A 60 -0.825 -5.732 -8.031 1.00 1.12 O ATOM 975 CB HIS A 60 -0.067 -7.720 -5.762 1.00 1.75 C ATOM 976 CG HIS A 60 0.985 -7.726 -6.844 1.00 1.87 C ATOM 977 ND1 HIS A 60 0.975 -8.619 -7.896 1.00 2.49 N ATOM 978 CD2 HIS A 60 2.091 -6.960 -7.019 1.00 2.11 C ATOM 979 CE1 HIS A 60 2.023 -8.399 -8.668 1.00 2.81 C ATOM 980 NE2 HIS A 60 2.714 -7.399 -8.158 1.00 2.58 N ATOM 0 H HIS A 60 -2.475 -7.915 -6.470 1.00 0.80 H new ATOM 0 HA HIS A 60 -0.997 -6.037 -4.805 1.00 1.11 H new ATOM 0 HB2 HIS A 60 0.437 -7.733 -4.796 1.00 1.75 H new ATOM 0 HB3 HIS A 60 -0.637 -8.646 -5.836 1.00 1.75 H new ATOM 0 HD2 HIS A 60 2.419 -6.154 -6.380 1.00 2.11 H new ATOM 0 HE1 HIS A 60 2.272 -8.946 -9.565 1.00 2.81 H new ATOM 0 HE2 HIS A 60 3.574 -7.014 -8.548 1.00 2.58 H new ATOM 989 N VAL A 61 -0.298 -4.319 -6.363 1.00 0.60 N ATOM 990 CA VAL A 61 0.103 -3.228 -7.240 1.00 0.59 C ATOM 991 C VAL A 61 1.495 -2.743 -6.852 1.00 0.51 C ATOM 992 O VAL A 61 1.756 -2.468 -5.683 1.00 0.55 O ATOM 993 CB VAL A 61 -0.886 -2.043 -7.165 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.465 -0.920 -8.103 1.00 1.32 C ATOM 995 CG2 VAL A 61 -2.297 -2.503 -7.490 1.00 1.48 C ATOM 0 H VAL A 61 -0.231 -4.100 -5.369 1.00 0.60 H new ATOM 0 HA VAL A 61 0.105 -3.607 -8.262 1.00 0.59 H new ATOM 0 HB VAL A 61 -0.872 -1.658 -6.145 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -1.178 -0.099 -8.030 1.00 1.32 H new ATOM 0 HG12 VAL A 61 0.527 -0.565 -7.823 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -0.442 -1.291 -9.128 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -2.979 -1.655 -7.432 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -2.321 -2.920 -8.497 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -2.605 -3.265 -6.775 1.00 1.48 H new ATOM 1005 N GLU A 62 2.394 -2.683 -7.824 1.00 0.81 N ATOM 1006 CA GLU A 62 3.763 -2.253 -7.569 1.00 1.05 C ATOM 1007 C GLU A 62 3.891 -0.748 -7.770 1.00 0.71 C ATOM 1008 O GLU A 62 3.856 -0.256 -8.899 1.00 0.80 O ATOM 1009 CB GLU A 62 4.747 -2.990 -8.483 1.00 1.61 C ATOM 1010 CG GLU A 62 4.188 -4.271 -9.079 1.00 2.42 C ATOM 1011 CD GLU A 62 5.256 -5.306 -9.359 1.00 3.17 C ATOM 1012 OE1 GLU A 62 6.331 -4.939 -9.878 1.00 3.63 O ATOM 1013 OE2 GLU A 62 5.026 -6.496 -9.065 1.00 3.60 O ATOM 0 H GLU A 62 2.201 -2.926 -8.796 1.00 0.81 H new ATOM 0 HA GLU A 62 4.007 -2.495 -6.535 1.00 1.05 H new ATOM 0 HB2 GLU A 62 5.046 -2.324 -9.292 1.00 1.61 H new ATOM 0 HB3 GLU A 62 5.648 -3.227 -7.916 1.00 1.61 H new ATOM 0 HG2 GLU A 62 3.451 -4.693 -8.395 1.00 2.42 H new ATOM 0 HG3 GLU A 62 3.665 -4.036 -10.006 1.00 2.42 H new ATOM 1020 N LEU A 63 3.981 -0.022 -6.668 1.00 0.61 N ATOM 1021 CA LEU A 63 4.077 1.428 -6.713 1.00 0.71 C ATOM 1022 C LEU A 63 5.493 1.879 -6.392 1.00 0.75 C ATOM 1023 O LEU A 63 5.873 2.002 -5.228 1.00 0.94 O ATOM 1024 CB LEU A 63 3.084 2.054 -5.737 1.00 0.97 C ATOM 1025 CG LEU A 63 1.617 1.798 -6.072 1.00 0.92 C ATOM 1026 CD1 LEU A 63 0.845 1.400 -4.828 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.000 3.026 -6.719 1.00 1.18 C ATOM 0 H LEU A 63 3.990 -0.415 -5.727 1.00 0.61 H new ATOM 0 HA LEU A 63 3.831 1.761 -7.722 1.00 0.71 H new ATOM 0 HB2 LEU A 63 3.287 1.671 -4.737 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.254 3.130 -5.707 1.00 0.97 H new ATOM 0 HG LEU A 63 1.564 0.972 -6.782 1.00 0.92 H new ATOM 0 HD11 LEU A 63 -0.198 1.222 -5.089 1.00 1.33 H new ATOM 0 HD12 LEU A 63 1.275 0.490 -4.409 1.00 1.33 H new ATOM 0 HD13 LEU A 63 0.903 2.201 -4.092 1.00 1.33 H new ATOM 0 HD21 LEU A 63 -0.046 2.828 -6.952 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.065 3.870 -6.033 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.538 3.262 -7.637 1.00 1.18 H new ATOM 1039 N SER A 64 6.287 2.058 -7.433 1.00 0.78 N ATOM 1040 CA SER A 64 7.679 2.446 -7.295 1.00 0.89 C ATOM 1041 C SER A 64 7.809 3.859 -6.742 1.00 0.82 C ATOM 1042 O SER A 64 7.454 4.824 -7.414 1.00 1.57 O ATOM 1043 CB SER A 64 8.351 2.332 -8.658 1.00 1.13 C ATOM 1044 OG SER A 64 7.489 1.675 -9.581 1.00 1.36 O ATOM 0 H SER A 64 5.984 1.938 -8.399 1.00 0.78 H new ATOM 0 HA SER A 64 8.170 1.781 -6.584 1.00 0.89 H new ATOM 0 HB2 SER A 64 8.604 3.325 -9.030 1.00 1.13 H new ATOM 0 HB3 SER A 64 9.285 1.778 -8.565 1.00 1.13 H new ATOM 0 HG SER A 64 7.932 1.610 -10.453 1.00 1.36 H new ATOM 1050 N ASN A 65 8.263 3.948 -5.489 1.00 1.03 N ATOM 1051 CA ASN A 65 8.443 5.221 -4.776 1.00 0.94 C ATOM 1052 C ASN A 65 7.147 6.044 -4.738 1.00 0.82 C ATOM 1053 O ASN A 65 7.150 7.239 -4.435 1.00 1.16 O ATOM 1054 CB ASN A 65 9.648 6.006 -5.358 1.00 1.03 C ATOM 1055 CG ASN A 65 9.286 7.196 -6.237 1.00 1.41 C ATOM 1056 OD1 ASN A 65 9.247 8.339 -5.777 1.00 2.04 O ATOM 1057 ND2 ASN A 65 9.072 6.943 -7.515 1.00 1.97 N ATOM 0 H ASN A 65 8.519 3.132 -4.933 1.00 1.03 H new ATOM 0 HA ASN A 65 8.679 5.002 -3.735 1.00 0.94 H new ATOM 0 HB2 ASN A 65 10.263 6.360 -4.531 1.00 1.03 H new ATOM 0 HB3 ASN A 65 10.261 5.318 -5.940 1.00 1.03 H new ATOM 0 HD21 ASN A 65 8.866 7.707 -8.159 1.00 1.97 H new ATOM 0 HD22 ASN A 65 9.113 5.984 -7.859 1.00 1.97 H new ATOM 1064 N GLY A 66 6.021 5.343 -4.842 1.00 0.69 N ATOM 1065 CA GLY A 66 4.730 5.980 -4.682 1.00 0.66 C ATOM 1066 C GLY A 66 4.493 6.423 -3.253 1.00 0.61 C ATOM 1067 O GLY A 66 5.211 6.005 -2.342 1.00 0.87 O ATOM 0 H GLY A 66 5.982 4.342 -5.035 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.666 6.843 -5.345 1.00 0.66 H new ATOM 0 HA3 GLY A 66 3.944 5.288 -4.983 1.00 0.66 H new ATOM 1071 N THR A 67 3.537 7.316 -3.061 1.00 0.40 N ATOM 1072 CA THR A 67 3.270 7.860 -1.739 1.00 0.41 C ATOM 1073 C THR A 67 1.773 8.055 -1.498 1.00 0.36 C ATOM 1074 O THR A 67 1.341 8.264 -0.362 1.00 0.39 O ATOM 1075 CB THR A 67 3.994 9.208 -1.544 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.366 9.761 -2.820 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.235 9.037 -0.683 1.00 0.70 C ATOM 0 H THR A 67 2.935 7.679 -3.800 1.00 0.40 H new ATOM 0 HA THR A 67 3.647 7.135 -1.017 1.00 0.41 H new ATOM 0 HB THR A 67 3.309 9.889 -1.039 1.00 0.57 H new ATOM 0 HG1 THR A 67 4.823 10.617 -2.685 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.728 10.001 -0.560 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.949 8.648 0.294 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.919 8.339 -1.165 1.00 0.70 H new ATOM 1085 N ALA A 68 0.988 8.028 -2.569 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.445 8.261 -2.467 1.00 0.47 C ATOM 1087 C ALA A 68 -1.216 7.410 -3.468 1.00 0.47 C ATOM 1088 O ALA A 68 -1.519 7.850 -4.577 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.752 9.738 -2.671 1.00 0.59 C ATOM 0 H ALA A 68 1.321 7.847 -3.516 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.766 7.969 -1.467 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.827 9.900 -2.593 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.240 10.325 -1.909 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.409 10.048 -3.658 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.587 6.215 -3.043 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.392 5.329 -3.873 1.00 0.45 C ATOM 1097 C HIS A 69 -3.876 5.522 -3.596 1.00 0.40 C ATOM 1098 O HIS A 69 -4.510 4.695 -2.938 1.00 0.80 O ATOM 1099 CB HIS A 69 -2.005 3.865 -3.665 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.470 2.958 -4.765 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -2.324 3.253 -6.104 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -3.070 1.749 -4.715 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.812 2.264 -6.829 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -3.270 1.338 -6.008 1.00 0.75 N ATOM 0 H HIS A 69 -1.345 5.834 -2.128 1.00 0.43 H new ATOM 0 HA HIS A 69 -2.194 5.590 -4.913 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.921 3.793 -3.580 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.422 3.519 -2.719 1.00 0.52 H new ATOM 0 HD1 HIS A 69 -1.904 4.104 -6.477 1.00 1.03 H new ATOM 0 HD2 HIS A 69 -3.342 1.206 -3.822 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -2.833 2.220 -7.908 1.00 1.03 H new ATOM 1113 N THR A 70 -4.436 6.567 -4.162 1.00 0.41 N ATOM 1114 CA THR A 70 -5.866 6.793 -4.081 1.00 0.44 C ATOM 1115 C THR A 70 -6.584 5.867 -5.055 1.00 0.47 C ATOM 1116 O THR A 70 -6.378 5.951 -6.267 1.00 0.72 O ATOM 1117 CB THR A 70 -6.226 8.249 -4.407 1.00 0.60 C ATOM 1118 OG1 THR A 70 -5.080 9.090 -4.214 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.371 8.724 -3.531 1.00 0.84 C ATOM 0 H THR A 70 -3.924 7.277 -4.685 1.00 0.41 H new ATOM 0 HA THR A 70 -6.182 6.585 -3.059 1.00 0.44 H new ATOM 0 HB THR A 70 -6.541 8.305 -5.449 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.195 9.617 -3.396 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.612 9.758 -3.777 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.246 8.097 -3.704 1.00 0.84 H new ATOM 0 HG23 THR A 70 -7.079 8.659 -2.483 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.345 4.926 -4.525 1.00 0.36 N ATOM 1128 CA ILE A 71 -8.001 3.930 -5.360 1.00 0.44 C ATOM 1129 C ILE A 71 -9.507 3.952 -5.182 1.00 0.34 C ATOM 1130 O ILE A 71 -10.008 3.830 -4.068 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.503 2.492 -5.072 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.670 2.429 -3.786 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.702 1.967 -6.251 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -6.905 1.176 -2.970 1.00 0.70 C ATOM 0 H ILE A 71 -7.525 4.829 -3.526 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.743 4.199 -6.384 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.378 1.859 -4.928 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.613 2.490 -4.045 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -6.899 3.300 -3.172 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.358 0.955 -6.036 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -7.331 1.954 -7.141 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -5.842 2.614 -6.423 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -6.282 1.202 -2.076 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -7.954 1.122 -2.680 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.648 0.300 -3.566 1.00 0.70 H new ATOM 1146 N THR A 72 -10.219 3.939 -6.297 1.00 0.37 N ATOM 1147 CA THR A 72 -11.664 3.774 -6.278 1.00 0.33 C ATOM 1148 C THR A 72 -12.000 2.301 -6.504 1.00 0.31 C ATOM 1149 O THR A 72 -13.094 1.947 -6.941 1.00 0.33 O ATOM 1150 CB THR A 72 -12.337 4.638 -7.363 1.00 0.43 C ATOM 1151 OG1 THR A 72 -11.373 5.530 -7.947 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.487 5.444 -6.779 1.00 1.22 C ATOM 0 H THR A 72 -9.819 4.041 -7.230 1.00 0.37 H new ATOM 0 HA THR A 72 -12.042 4.099 -5.309 1.00 0.33 H new ATOM 0 HB THR A 72 -12.733 3.973 -8.131 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.807 6.075 -8.637 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.945 6.045 -7.564 1.00 1.22 H new ATOM 0 HG22 THR A 72 -14.231 4.766 -6.360 1.00 1.22 H new ATOM 0 HG23 THR A 72 -13.110 6.099 -5.994 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.002 1.464 -6.245 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.091 0.020 -6.450 1.00 0.40 C ATOM 1162 C ASP A 73 -11.463 -0.700 -5.165 1.00 0.39 C ATOM 1163 O ASP A 73 -11.284 -1.914 -5.048 1.00 0.51 O ATOM 1164 CB ASP A 73 -9.753 -0.517 -6.966 1.00 0.52 C ATOM 1165 CG ASP A 73 -9.900 -1.391 -8.196 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.011 -1.921 -8.415 1.00 1.31 O ATOM 1167 OD2 ASP A 73 -8.910 -1.564 -8.944 1.00 1.21 O ATOM 0 H ASP A 73 -10.099 1.770 -5.883 1.00 0.34 H new ATOM 0 HA ASP A 73 -11.873 -0.166 -7.186 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.097 0.322 -7.199 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.269 -1.090 -6.175 1.00 0.52 H new ATOM 1172 N ALA A 74 -11.822 0.063 -4.148 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.046 -0.504 -2.834 1.00 0.33 C ATOM 1174 C ALA A 74 -13.487 -0.939 -2.669 1.00 0.35 C ATOM 1175 O ALA A 74 -14.356 -0.525 -3.429 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.657 0.496 -1.763 1.00 0.36 C ATOM 0 H ALA A 74 -11.964 1.071 -4.208 1.00 0.31 H new ATOM 0 HA ALA A 74 -11.419 -1.390 -2.728 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -11.829 0.060 -0.779 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.602 0.750 -1.868 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.260 1.398 -1.871 1.00 0.36 H new ATOM 1182 N TYR A 75 -13.742 -1.754 -1.666 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.098 -2.178 -1.374 1.00 0.52 C ATOM 1184 C TYR A 75 -15.726 -1.212 -0.383 1.00 0.46 C ATOM 1185 O TYR A 75 -15.215 -1.030 0.718 1.00 0.55 O ATOM 1186 CB TYR A 75 -15.113 -3.601 -0.819 1.00 0.71 C ATOM 1187 CG TYR A 75 -15.099 -4.682 -1.881 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -14.412 -4.495 -3.075 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -15.781 -5.879 -1.698 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -14.403 -5.470 -4.052 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -15.779 -6.856 -2.672 1.00 2.26 C ATOM 1192 CZ TYR A 75 -15.060 -6.679 -3.812 1.00 2.21 C ATOM 1193 OH TYR A 75 -15.097 -7.614 -4.822 1.00 2.86 O ATOM 0 H TYR A 75 -13.032 -2.135 -1.041 1.00 0.48 H new ATOM 0 HA TYR A 75 -15.678 -2.174 -2.297 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -14.248 -3.735 -0.169 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -16.000 -3.728 -0.199 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -13.877 -3.572 -3.241 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -16.321 -6.047 -0.778 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -13.895 -5.300 -4.990 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -16.349 -7.762 -2.529 1.00 2.26 H new ATOM 0 HH TYR A 75 -15.585 -8.407 -4.516 1.00 2.86 H new ATOM 1203 N ALA A 76 -16.756 -0.512 -0.825 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.398 0.512 -0.010 1.00 0.57 C ATOM 1205 C ALA A 76 -17.964 -0.077 1.278 1.00 0.50 C ATOM 1206 O ALA A 76 -17.762 0.466 2.362 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.501 1.189 -0.805 1.00 0.74 C ATOM 0 H ALA A 76 -17.170 -0.633 -1.749 1.00 0.49 H new ATOM 0 HA ALA A 76 -16.644 1.250 0.263 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -18.976 1.953 -0.190 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -18.076 1.653 -1.695 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.243 0.448 -1.101 1.00 0.74 H new ATOM 1213 N GLY A 77 -18.742 -1.138 1.136 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.393 -1.747 2.279 1.00 0.55 C ATOM 1215 C GLY A 77 -18.587 -2.868 2.901 1.00 0.48 C ATOM 1216 O GLY A 77 -18.982 -3.429 3.922 1.00 0.58 O ATOM 0 H GLY A 77 -18.936 -1.592 0.243 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -19.579 -0.982 3.032 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.364 -2.135 1.971 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.492 -3.241 2.264 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.691 -4.356 2.739 1.00 0.49 C ATOM 1222 C LYS A 78 -15.272 -3.916 3.058 1.00 0.43 C ATOM 1223 O LYS A 78 -14.622 -3.262 2.248 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.668 -5.472 1.698 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.608 -6.617 2.017 1.00 0.98 C ATOM 1226 CD LYS A 78 -19.057 -6.239 1.768 1.00 1.62 C ATOM 1227 CE LYS A 78 -20.007 -7.206 2.454 1.00 1.93 C ATOM 1228 NZ LYS A 78 -20.157 -6.916 3.904 1.00 2.32 N ATOM 0 H LYS A 78 -17.138 -2.791 1.420 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.147 -4.730 3.656 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -16.932 -5.056 0.726 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -15.652 -5.859 1.614 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -17.348 -7.482 1.408 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.482 -6.912 3.059 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -19.239 -5.228 2.132 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -19.254 -6.232 0.696 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -20.984 -7.155 1.973 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -19.641 -8.225 2.325 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -20.814 -7.601 4.329 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -19.230 -6.990 4.370 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -20.532 -5.954 4.029 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.824 -4.243 4.258 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.505 -3.851 4.731 1.00 0.43 C ATOM 1244 C GLU A 79 -12.407 -4.334 3.787 1.00 0.37 C ATOM 1245 O GLU A 79 -12.473 -5.439 3.239 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.264 -4.403 6.140 1.00 0.59 C ATOM 1247 CG GLU A 79 -14.378 -4.077 7.124 1.00 1.13 C ATOM 1248 CD GLU A 79 -15.455 -5.143 7.170 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -16.364 -5.117 6.314 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -15.413 -6.004 8.072 1.00 2.05 O ATOM 0 H GLU A 79 -15.363 -4.787 4.932 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.471 -2.762 4.759 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.148 -5.485 6.082 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.325 -4.002 6.522 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -13.952 -3.955 8.120 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -14.829 -3.123 6.851 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.424 -3.478 3.576 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.317 -3.774 2.689 1.00 0.38 C ATOM 1259 C TYR A 80 -9.029 -3.915 3.488 1.00 0.41 C ATOM 1260 O TYR A 80 -8.680 -3.030 4.274 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.164 -2.646 1.665 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.311 -3.081 0.225 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -11.200 -4.090 -0.121 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -9.563 -2.494 -0.786 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -11.342 -4.498 -1.432 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -9.699 -2.898 -2.099 1.00 0.64 C ATOM 1267 CZ TYR A 80 -10.576 -3.862 -2.429 1.00 0.66 C ATOM 1268 OH TYR A 80 -10.727 -4.306 -3.723 1.00 0.85 O ATOM 0 H TYR A 80 -11.372 -2.559 4.015 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.518 -4.712 2.171 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.907 -1.877 1.877 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.184 -2.186 1.794 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -11.791 -4.564 0.649 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -8.863 -1.708 -0.542 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -12.028 -5.291 -1.689 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -9.096 -2.436 -2.867 1.00 0.64 H new ATOM 0 HH TYR A 80 -10.916 -3.545 -4.310 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.290 -4.989 3.244 1.00 0.31 N ATOM 1279 CA ILE A 81 -6.991 -5.158 3.873 1.00 0.33 C ATOM 1280 C ILE A 81 -5.885 -4.875 2.860 1.00 0.29 C ATOM 1281 O ILE A 81 -5.766 -5.552 1.835 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.807 -6.561 4.509 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.405 -6.691 5.108 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.066 -7.675 3.503 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.402 -7.142 6.552 1.00 1.11 C ATOM 0 H ILE A 81 -8.566 -5.748 2.621 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.931 -4.440 4.691 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.544 -6.664 5.306 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.829 -7.401 4.513 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.898 -5.729 5.036 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -6.927 -8.642 3.987 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.088 -7.599 3.131 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.369 -7.583 2.670 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.375 -7.212 6.909 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.949 -6.421 7.159 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.880 -8.119 6.629 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.173 -3.785 3.090 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.152 -3.322 2.164 1.00 0.30 C ATOM 1299 C ILE A 82 -2.769 -3.524 2.755 1.00 0.32 C ATOM 1300 O ILE A 82 -2.364 -2.798 3.658 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.335 -1.826 1.818 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.809 -1.510 1.550 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.482 -1.446 0.615 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.266 -0.201 2.148 1.00 0.64 C ATOM 0 H ILE A 82 -5.284 -3.199 3.918 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.255 -3.909 1.251 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.007 -1.236 2.674 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -5.977 -1.486 0.473 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.423 -2.317 1.950 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.624 -0.390 0.387 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.432 -1.630 0.841 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -3.778 -2.046 -0.245 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.320 -0.044 1.918 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.131 -0.228 3.229 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.678 0.615 1.729 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.038 -4.494 2.237 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.692 -4.745 2.713 1.00 0.34 C ATOM 1318 C GLN A 83 0.319 -3.978 1.891 1.00 0.29 C ATOM 1319 O GLN A 83 0.229 -3.922 0.662 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.355 -6.227 2.691 1.00 0.44 C ATOM 1321 CG GLN A 83 -0.323 -6.835 4.075 1.00 0.60 C ATOM 1322 CD GLN A 83 0.950 -6.514 4.826 1.00 0.71 C ATOM 1323 OE1 GLN A 83 1.811 -5.782 4.338 1.00 1.59 O ATOM 1324 NE2 GLN A 83 1.083 -7.066 6.021 1.00 0.64 N ATOM 0 H GLN A 83 -2.351 -5.116 1.492 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.647 -4.402 3.747 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.090 -6.754 2.083 1.00 0.44 H new ATOM 0 HB3 GLN A 83 0.614 -6.369 2.213 1.00 0.44 H new ATOM 0 HG2 GLN A 83 -1.178 -6.473 4.646 1.00 0.60 H new ATOM 0 HG3 GLN A 83 -0.429 -7.917 3.994 1.00 0.60 H new ATOM 0 HE21 GLN A 83 0.346 -7.667 6.390 1.00 0.64 H new ATOM 0 HE22 GLN A 83 1.922 -6.891 6.573 1.00 0.64 H new ATOM 1333 N VAL A 84 1.262 -3.376 2.584 1.00 0.28 N ATOM 1334 CA VAL A 84 2.293 -2.586 1.948 1.00 0.28 C ATOM 1335 C VAL A 84 3.660 -3.217 2.160 1.00 0.28 C ATOM 1336 O VAL A 84 4.258 -3.091 3.236 1.00 0.32 O ATOM 1337 CB VAL A 84 2.310 -1.140 2.488 1.00 0.35 C ATOM 1338 CG1 VAL A 84 3.157 -0.248 1.596 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.899 -0.587 2.606 1.00 0.51 C ATOM 0 H VAL A 84 1.335 -3.420 3.600 1.00 0.28 H new ATOM 0 HA VAL A 84 2.067 -2.558 0.882 1.00 0.28 H new ATOM 0 HB VAL A 84 2.753 -1.156 3.484 1.00 0.35 H new ATOM 0 HG11 VAL A 84 3.157 0.767 1.992 1.00 0.36 H new ATOM 0 HG12 VAL A 84 4.179 -0.627 1.568 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.743 -0.244 0.588 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.939 0.433 2.989 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.424 -0.588 1.625 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.321 -1.209 3.289 1.00 0.51 H new ATOM 1349 N ALA A 85 4.148 -3.893 1.129 1.00 0.31 N ATOM 1350 CA ALA A 85 5.475 -4.497 1.154 1.00 0.36 C ATOM 1351 C ALA A 85 6.462 -3.603 0.412 1.00 0.30 C ATOM 1352 O ALA A 85 6.053 -2.742 -0.369 1.00 0.37 O ATOM 1353 CB ALA A 85 5.446 -5.886 0.535 1.00 0.49 C ATOM 0 H ALA A 85 3.640 -4.038 0.257 1.00 0.31 H new ATOM 0 HA ALA A 85 5.796 -4.597 2.191 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.446 -6.318 0.564 1.00 0.49 H new ATOM 0 HB2 ALA A 85 4.760 -6.520 1.097 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.111 -5.816 -0.500 1.00 0.49 H new ATOM 1359 N ALA A 86 7.749 -3.762 0.691 1.00 0.35 N ATOM 1360 CA ALA A 86 8.760 -2.904 0.086 1.00 0.45 C ATOM 1361 C ALA A 86 9.946 -3.705 -0.444 1.00 0.40 C ATOM 1362 O ALA A 86 10.446 -4.614 0.222 1.00 0.55 O ATOM 1363 CB ALA A 86 9.239 -1.871 1.096 1.00 0.70 C ATOM 0 H ALA A 86 8.116 -4.470 1.327 1.00 0.35 H new ATOM 0 HA ALA A 86 8.298 -2.399 -0.763 1.00 0.45 H new ATOM 0 HB1 ALA A 86 9.994 -1.234 0.635 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.396 -1.259 1.418 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.670 -2.379 1.959 1.00 0.70 H new ATOM 1369 N LYS A 87 10.428 -3.306 -1.615 1.00 0.46 N ATOM 1370 CA LYS A 87 11.608 -3.904 -2.228 1.00 0.49 C ATOM 1371 C LYS A 87 12.198 -2.919 -3.231 1.00 0.61 C ATOM 1372 O LYS A 87 11.457 -2.258 -3.952 1.00 0.80 O ATOM 1373 CB LYS A 87 11.242 -5.222 -2.926 1.00 0.62 C ATOM 1374 CG LYS A 87 12.344 -5.788 -3.806 1.00 0.69 C ATOM 1375 CD LYS A 87 11.778 -6.638 -4.931 1.00 0.91 C ATOM 1376 CE LYS A 87 11.898 -5.936 -6.272 1.00 1.08 C ATOM 1377 NZ LYS A 87 12.122 -6.896 -7.382 1.00 1.33 N ATOM 0 H LYS A 87 10.011 -2.557 -2.167 1.00 0.46 H new ATOM 0 HA LYS A 87 12.345 -4.125 -1.456 1.00 0.49 H new ATOM 0 HB2 LYS A 87 10.982 -5.961 -2.168 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.352 -5.063 -3.535 1.00 0.62 H new ATOM 0 HG2 LYS A 87 12.931 -4.971 -4.226 1.00 0.69 H new ATOM 0 HG3 LYS A 87 13.022 -6.389 -3.200 1.00 0.69 H new ATOM 0 HD2 LYS A 87 12.306 -7.591 -4.969 1.00 0.91 H new ATOM 0 HD3 LYS A 87 10.731 -6.861 -4.728 1.00 0.91 H new ATOM 0 HE2 LYS A 87 10.990 -5.364 -6.465 1.00 1.08 H new ATOM 0 HE3 LYS A 87 12.722 -5.224 -6.236 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 12.198 -6.377 -8.280 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 13.001 -7.424 -7.212 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 11.323 -7.560 -7.433 1.00 1.33 H new ATOM 1391 N ASP A 88 13.513 -2.753 -3.222 1.00 0.67 N ATOM 1392 CA ASP A 88 14.150 -1.779 -4.107 1.00 0.81 C ATOM 1393 C ASP A 88 14.059 -2.225 -5.565 1.00 0.90 C ATOM 1394 O ASP A 88 13.850 -3.405 -5.855 1.00 1.00 O ATOM 1395 CB ASP A 88 15.610 -1.547 -3.715 1.00 0.96 C ATOM 1396 CG ASP A 88 16.272 -0.505 -4.598 1.00 1.22 C ATOM 1397 OD1 ASP A 88 16.010 0.700 -4.407 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.025 -0.892 -5.514 1.00 1.42 O ATOM 0 H ASP A 88 14.155 -3.271 -2.622 1.00 0.67 H new ATOM 0 HA ASP A 88 13.613 -0.837 -3.998 1.00 0.81 H new ATOM 0 HB2 ASP A 88 15.660 -1.227 -2.674 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.159 -2.486 -3.786 1.00 0.96 H new ATOM 1403 N ASN A 89 14.121 -1.258 -6.471 1.00 1.00 N ATOM 1404 CA ASN A 89 13.952 -1.517 -7.894 1.00 1.17 C ATOM 1405 C ASN A 89 15.135 -2.281 -8.482 1.00 1.27 C ATOM 1406 O ASN A 89 14.955 -3.124 -9.361 1.00 1.46 O ATOM 1407 CB ASN A 89 13.759 -0.204 -8.654 1.00 1.30 C ATOM 1408 CG ASN A 89 12.547 -0.238 -9.564 1.00 1.53 C ATOM 1409 OD1 ASN A 89 12.597 -0.778 -10.671 1.00 1.91 O ATOM 1410 ND2 ASN A 89 11.451 0.343 -9.107 1.00 1.75 N ATOM 0 H ASN A 89 14.289 -0.278 -6.242 1.00 1.00 H new ATOM 0 HA ASN A 89 13.064 -2.139 -8.004 1.00 1.17 H new ATOM 0 HB2 ASN A 89 13.652 0.613 -7.941 1.00 1.30 H new ATOM 0 HB3 ASN A 89 14.650 0.004 -9.247 1.00 1.30 H new ATOM 0 HD21 ASN A 89 10.605 0.355 -9.677 1.00 1.75 H new ATOM 0 HD22 ASN A 89 11.451 0.779 -8.185 1.00 1.75 H new ATOM 1417 N GLU A 90 16.341 -1.997 -8.000 1.00 1.29 N ATOM 1418 CA GLU A 90 17.528 -2.672 -8.512 1.00 1.46 C ATOM 1419 C GLU A 90 18.075 -3.671 -7.497 1.00 1.44 C ATOM 1420 O GLU A 90 18.496 -4.768 -7.865 1.00 1.57 O ATOM 1421 CB GLU A 90 18.608 -1.659 -8.921 1.00 1.60 C ATOM 1422 CG GLU A 90 19.095 -0.758 -7.797 1.00 1.82 C ATOM 1423 CD GLU A 90 20.553 -0.375 -7.953 1.00 1.96 C ATOM 1424 OE1 GLU A 90 21.358 -1.237 -8.361 1.00 2.17 O ATOM 1425 OE2 GLU A 90 20.905 0.790 -7.665 1.00 2.26 O ATOM 0 H GLU A 90 16.521 -1.313 -7.265 1.00 1.29 H new ATOM 0 HA GLU A 90 17.234 -3.227 -9.403 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.461 -2.203 -9.328 1.00 1.60 H new ATOM 0 HB3 GLU A 90 18.216 -1.035 -9.724 1.00 1.60 H new ATOM 0 HG2 GLU A 90 18.486 0.146 -7.770 1.00 1.82 H new ATOM 0 HG3 GLU A 90 18.956 -1.265 -6.842 1.00 1.82 H new ATOM 1432 N ILE A 91 17.995 -3.322 -6.222 1.00 1.38 N ATOM 1433 CA ILE A 91 18.417 -4.225 -5.161 1.00 1.45 C ATOM 1434 C ILE A 91 17.224 -5.039 -4.671 1.00 1.48 C ATOM 1435 O ILE A 91 16.483 -4.615 -3.781 1.00 1.79 O ATOM 1436 CB ILE A 91 19.064 -3.465 -3.982 1.00 1.63 C ATOM 1437 CG1 ILE A 91 19.865 -2.264 -4.494 1.00 2.02 C ATOM 1438 CG2 ILE A 91 19.961 -4.397 -3.186 1.00 1.69 C ATOM 1439 CD1 ILE A 91 20.010 -1.151 -3.481 1.00 2.51 C ATOM 0 H ILE A 91 17.643 -2.422 -5.897 1.00 1.38 H new ATOM 0 HA ILE A 91 19.173 -4.894 -5.572 1.00 1.45 H new ATOM 0 HB ILE A 91 18.272 -3.099 -3.329 1.00 1.63 H new ATOM 0 HG12 ILE A 91 20.857 -2.602 -4.793 1.00 2.02 H new ATOM 0 HG13 ILE A 91 19.380 -1.869 -5.387 1.00 2.02 H new ATOM 0 HG21 ILE A 91 20.411 -3.849 -2.358 1.00 1.69 H new ATOM 0 HG22 ILE A 91 19.370 -5.225 -2.795 1.00 1.69 H new ATOM 0 HG23 ILE A 91 20.747 -4.786 -3.833 1.00 1.69 H new ATOM 0 HD11 ILE A 91 20.589 -0.336 -3.916 1.00 2.51 H new ATOM 0 HD12 ILE A 91 19.023 -0.785 -3.199 1.00 2.51 H new ATOM 0 HD13 ILE A 91 20.523 -1.529 -2.597 1.00 2.51 H new ATOM 1451 N GLY A 92 16.976 -6.150 -5.351 1.00 1.53 N ATOM 1452 CA GLY A 92 15.788 -6.944 -5.101 1.00 1.75 C ATOM 1453 C GLY A 92 15.808 -7.684 -3.778 1.00 1.30 C ATOM 1454 O GLY A 92 16.041 -8.892 -3.737 1.00 1.27 O ATOM 0 H GLY A 92 17.585 -6.520 -6.081 1.00 1.53 H new ATOM 0 HA2 GLY A 92 14.915 -6.292 -5.127 1.00 1.75 H new ATOM 0 HA3 GLY A 92 15.670 -7.667 -5.908 1.00 1.75 H new ATOM 1458 N THR A 93 15.420 -6.994 -2.717 1.00 1.16 N ATOM 1459 CA THR A 93 15.240 -7.631 -1.425 1.00 0.92 C ATOM 1460 C THR A 93 13.755 -7.830 -1.147 1.00 0.81 C ATOM 1461 O THR A 93 13.063 -6.897 -0.738 1.00 0.82 O ATOM 1462 CB THR A 93 15.861 -6.801 -0.289 1.00 1.19 C ATOM 1463 OG1 THR A 93 16.709 -5.775 -0.831 1.00 1.75 O ATOM 1464 CG2 THR A 93 16.663 -7.695 0.645 1.00 1.62 C ATOM 0 H THR A 93 15.224 -5.993 -2.727 1.00 1.16 H new ATOM 0 HA THR A 93 15.748 -8.595 -1.460 1.00 0.92 H new ATOM 0 HB THR A 93 15.055 -6.334 0.278 1.00 1.19 H new ATOM 0 HG1 THR A 93 17.029 -5.198 -0.106 1.00 1.75 H new ATOM 0 HG21 THR A 93 17.096 -7.092 1.443 1.00 1.62 H new ATOM 0 HG22 THR A 93 16.008 -8.452 1.076 1.00 1.62 H new ATOM 0 HG23 THR A 93 17.461 -8.183 0.085 1.00 1.62 H new ATOM 1472 N TRP A 94 13.255 -9.015 -1.469 1.00 0.78 N ATOM 1473 CA TRP A 94 11.836 -9.307 -1.331 1.00 0.75 C ATOM 1474 C TRP A 94 11.458 -9.497 0.132 1.00 0.74 C ATOM 1475 O TRP A 94 11.542 -10.603 0.673 1.00 0.89 O ATOM 1476 CB TRP A 94 11.463 -10.559 -2.128 1.00 0.82 C ATOM 1477 CG TRP A 94 10.534 -10.292 -3.272 1.00 0.84 C ATOM 1478 CD1 TRP A 94 10.824 -10.390 -4.600 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.160 -9.891 -3.189 1.00 1.04 C ATOM 1480 NE1 TRP A 94 9.717 -10.075 -5.349 1.00 1.13 N ATOM 1481 CE2 TRP A 94 8.682 -9.768 -4.506 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.285 -9.631 -2.129 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 7.371 -9.388 -4.791 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 6.988 -9.255 -2.412 1.00 1.55 C ATOM 1485 CH2 TRP A 94 6.541 -9.140 -3.733 1.00 1.63 C ATOM 0 H TRP A 94 13.812 -9.790 -1.828 1.00 0.78 H new ATOM 0 HA TRP A 94 11.282 -8.456 -1.727 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.374 -11.019 -2.511 1.00 0.82 H new ATOM 0 HB3 TRP A 94 10.999 -11.281 -1.456 1.00 0.82 H new ATOM 0 HD1 TRP A 94 11.784 -10.674 -5.004 1.00 0.93 H new ATOM 0 HE1 TRP A 94 9.673 -10.070 -6.368 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.619 -9.723 -1.106 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 7.024 -9.293 -5.809 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.307 -9.046 -1.601 1.00 1.55 H new ATOM 0 HH2 TRP A 94 5.518 -8.849 -3.921 1.00 1.63 H new ATOM 1496 N SER A 95 11.042 -8.415 0.764 1.00 0.65 N ATOM 1497 CA SER A 95 10.608 -8.457 2.147 1.00 0.65 C ATOM 1498 C SER A 95 9.209 -9.067 2.240 1.00 0.63 C ATOM 1499 O SER A 95 8.501 -9.170 1.234 1.00 0.72 O ATOM 1500 CB SER A 95 10.624 -7.045 2.732 1.00 0.68 C ATOM 1501 OG SER A 95 11.624 -6.252 2.107 1.00 0.94 O ATOM 0 H SER A 95 10.996 -7.490 0.337 1.00 0.65 H new ATOM 0 HA SER A 95 11.291 -9.082 2.723 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.648 -6.580 2.598 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.809 -7.093 3.805 1.00 0.68 H new ATOM 0 HG SER A 95 11.231 -5.766 1.352 1.00 0.94 H new ATOM 1507 N ASP A 96 8.831 -9.514 3.429 1.00 0.69 N ATOM 1508 CA ASP A 96 7.523 -10.127 3.634 1.00 0.74 C ATOM 1509 C ASP A 96 6.452 -9.054 3.813 1.00 0.63 C ATOM 1510 O ASP A 96 6.758 -7.859 3.813 1.00 0.53 O ATOM 1511 CB ASP A 96 7.552 -11.070 4.843 1.00 0.94 C ATOM 1512 CG ASP A 96 7.272 -10.365 6.158 1.00 1.28 C ATOM 1513 OD1 ASP A 96 8.098 -9.530 6.576 1.00 1.94 O ATOM 1514 OD2 ASP A 96 6.215 -10.635 6.775 1.00 1.57 O ATOM 0 H ASP A 96 9.410 -9.465 4.267 1.00 0.69 H new ATOM 0 HA ASP A 96 7.276 -10.714 2.750 1.00 0.74 H new ATOM 0 HB2 ASP A 96 6.815 -11.860 4.697 1.00 0.94 H new ATOM 0 HB3 ASP A 96 8.528 -11.551 4.897 1.00 0.94 H new ATOM 1519 N TRP A 97 5.201 -9.483 3.936 1.00 0.76 N ATOM 1520 CA TRP A 97 4.083 -8.562 4.101 1.00 0.73 C ATOM 1521 C TRP A 97 4.257 -7.734 5.373 1.00 0.60 C ATOM 1522 O TRP A 97 4.280 -8.271 6.482 1.00 0.76 O ATOM 1523 CB TRP A 97 2.762 -9.333 4.133 1.00 0.99 C ATOM 1524 CG TRP A 97 2.607 -10.291 2.989 1.00 1.31 C ATOM 1525 CD1 TRP A 97 2.164 -11.580 3.057 1.00 2.12 C ATOM 1526 CD2 TRP A 97 2.897 -10.038 1.606 1.00 1.05 C ATOM 1527 NE1 TRP A 97 2.167 -12.145 1.805 1.00 2.24 N ATOM 1528 CE2 TRP A 97 2.612 -11.220 0.899 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.373 -8.930 0.897 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 2.786 -11.326 -0.478 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.546 -9.036 -0.469 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.252 -10.226 -1.144 1.00 1.26 C ATOM 0 H TRP A 97 4.935 -10.468 3.924 1.00 0.76 H new ATOM 0 HA TRP A 97 4.063 -7.880 3.251 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.693 -9.884 5.071 1.00 0.99 H new ATOM 0 HB3 TRP A 97 1.935 -8.624 4.119 1.00 0.99 H new ATOM 0 HD1 TRP A 97 1.856 -12.082 3.962 1.00 2.12 H new ATOM 0 HE1 TRP A 97 1.883 -13.100 1.586 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.601 -8.007 1.409 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 2.561 -12.244 -1.001 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 3.914 -8.187 -1.025 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.396 -10.277 -2.213 1.00 1.26 H new ATOM 1543 N SER A 98 4.516 -6.450 5.191 1.00 0.41 N ATOM 1544 CA SER A 98 4.865 -5.578 6.298 1.00 0.42 C ATOM 1545 C SER A 98 3.633 -4.927 6.928 1.00 0.38 C ATOM 1546 O SER A 98 3.087 -5.439 7.906 1.00 0.46 O ATOM 1547 CB SER A 98 5.854 -4.513 5.821 1.00 0.51 C ATOM 1548 OG SER A 98 6.070 -4.611 4.421 1.00 0.50 O ATOM 0 H SER A 98 4.491 -5.987 4.282 1.00 0.41 H new ATOM 0 HA SER A 98 5.332 -6.187 7.072 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.473 -3.522 6.065 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.801 -4.629 6.348 1.00 0.51 H new ATOM 0 HG SER A 98 5.666 -3.839 3.973 1.00 0.50 H new ATOM 1554 N VAL A 99 3.240 -3.765 6.414 1.00 0.33 N ATOM 1555 CA VAL A 99 2.144 -3.006 7.006 1.00 0.34 C ATOM 1556 C VAL A 99 0.799 -3.370 6.387 1.00 0.32 C ATOM 1557 O VAL A 99 0.512 -3.004 5.249 1.00 0.34 O ATOM 1558 CB VAL A 99 2.372 -1.486 6.865 1.00 0.42 C ATOM 1559 CG1 VAL A 99 1.259 -0.707 7.551 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.724 -1.095 7.435 1.00 1.32 C ATOM 0 H VAL A 99 3.662 -3.331 5.593 1.00 0.33 H new ATOM 0 HA VAL A 99 2.124 -3.270 8.063 1.00 0.34 H new ATOM 0 HB VAL A 99 2.359 -1.237 5.804 1.00 0.42 H new ATOM 0 HG11 VAL A 99 1.440 0.362 7.439 1.00 1.21 H new ATOM 0 HG12 VAL A 99 0.302 -0.962 7.096 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.236 -0.962 8.611 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.867 -0.020 7.327 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.765 -1.362 8.491 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.512 -1.622 6.897 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.052 -4.006 7.180 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.416 -4.296 6.770 1.00 0.41 C ATOM 1572 C ALA A 100 -2.349 -3.172 7.210 1.00 0.43 C ATOM 1573 O ALA A 100 -2.566 -2.969 8.407 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.874 -5.627 7.349 1.00 0.50 C ATOM 0 H ALA A 100 0.182 -4.332 8.118 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.446 -4.367 5.683 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.897 -5.829 7.032 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.220 -6.423 6.993 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.833 -5.584 8.437 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.869 -2.422 6.255 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.765 -1.317 6.557 1.00 0.36 C ATOM 1582 C ALA A 101 -5.219 -1.751 6.435 1.00 0.41 C ATOM 1583 O ALA A 101 -5.554 -2.619 5.625 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.481 -0.135 5.639 1.00 0.42 C ATOM 0 H ALA A 101 -2.686 -2.558 5.261 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.589 -1.006 7.587 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.160 0.683 5.878 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.452 0.195 5.779 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.628 -0.436 4.602 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.077 -1.145 7.243 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.504 -1.441 7.229 1.00 0.57 C ATOM 1592 C HIS A 102 -8.279 -0.200 6.813 1.00 0.50 C ATOM 1593 O HIS A 102 -7.994 0.898 7.299 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.969 -1.887 8.619 1.00 0.95 C ATOM 1595 CG HIS A 102 -8.049 -3.371 8.797 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -7.816 -3.989 10.004 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -8.342 -4.362 7.922 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -7.962 -5.290 9.868 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -8.282 -5.547 8.615 1.00 2.00 N ATOM 0 H HIS A 102 -5.806 -0.437 7.925 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.688 -2.246 6.517 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -7.287 -1.480 9.365 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.951 -1.456 8.816 1.00 0.95 H new ATOM 0 HD2 HIS A 102 -8.579 -4.243 6.875 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -7.840 -6.024 10.651 1.00 2.18 H new ATOM 0 HE2 HIS A 102 -8.456 -6.473 8.224 1.00 2.00 H new ATOM 1608 N ALA A 103 -9.217 -0.353 5.887 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.994 0.786 5.415 1.00 0.54 C ATOM 1610 C ALA A 103 -11.264 0.356 4.692 1.00 0.36 C ATOM 1611 O ALA A 103 -11.313 -0.700 4.064 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.149 1.661 4.506 1.00 0.91 C ATOM 0 H ALA A 103 -9.457 -1.244 5.452 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.294 1.358 6.293 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.743 2.508 4.161 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.282 2.026 5.056 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.815 1.078 3.647 1.00 0.91 H new ATOM 1618 N THR A 104 -12.269 1.219 4.755 1.00 0.41 N ATOM 1619 CA THR A 104 -13.536 1.017 4.064 1.00 0.38 C ATOM 1620 C THR A 104 -14.051 2.359 3.559 1.00 0.41 C ATOM 1621 O THR A 104 -14.346 3.247 4.360 1.00 0.51 O ATOM 1622 CB THR A 104 -14.599 0.402 4.995 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.981 -0.124 6.180 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.367 -0.700 4.287 1.00 0.70 C ATOM 0 H THR A 104 -12.228 2.086 5.291 1.00 0.41 H new ATOM 0 HA THR A 104 -13.361 0.330 3.236 1.00 0.38 H new ATOM 0 HB THR A 104 -15.298 1.190 5.274 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.668 -0.510 6.763 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.111 -1.118 4.965 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.866 -0.290 3.409 1.00 0.70 H new ATOM 0 HG23 THR A 104 -14.676 -1.484 3.978 1.00 0.70 H new ATOM 1632 N PRO A 105 -14.072 2.574 2.231 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.496 3.855 1.661 1.00 0.38 C ATOM 1634 C PRO A 105 -15.975 4.152 1.938 1.00 0.40 C ATOM 1635 O PRO A 105 -16.626 3.431 2.697 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.217 3.712 0.160 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.072 2.251 -0.098 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.625 1.622 1.200 1.00 0.40 C ATOM 0 HA PRO A 105 -13.961 4.695 2.105 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.032 4.132 -0.429 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.311 4.249 -0.121 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -15.017 1.821 -0.431 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.343 2.068 -0.888 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.074 0.639 1.343 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.544 1.485 1.225 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.451 5.292 1.439 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.796 5.778 1.753 1.00 0.41 C ATOM 1648 C TRP A 106 -18.868 4.706 1.548 1.00 0.48 C ATOM 1649 O TRP A 106 -19.211 4.344 0.420 1.00 0.65 O ATOM 1650 CB TRP A 106 -18.130 7.013 0.914 1.00 0.51 C ATOM 1651 CG TRP A 106 -19.396 7.694 1.346 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.906 7.747 2.613 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -20.312 8.414 0.514 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -21.084 8.450 2.615 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -21.353 8.874 1.341 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -20.353 8.716 -0.851 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.422 9.617 0.848 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -21.414 9.455 -1.339 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -22.436 9.899 -0.491 1.00 1.07 C ATOM 0 H TRP A 106 -15.923 5.900 0.813 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.795 6.044 2.810 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -17.304 7.721 0.976 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -18.221 6.720 -0.132 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -19.449 7.301 3.484 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -21.666 8.628 3.434 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -19.569 8.378 -1.512 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -23.213 9.959 1.499 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -21.456 9.694 -2.391 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -23.252 10.476 -0.902 1.00 1.07 H new ATOM 1670 N THR A 107 -19.427 4.246 2.654 1.00 0.60 N ATOM 1671 CA THR A 107 -20.488 3.263 2.635 1.00 0.75 C ATOM 1672 C THR A 107 -21.853 3.942 2.642 1.00 0.82 C ATOM 1673 O THR A 107 -22.404 4.237 3.703 1.00 0.89 O ATOM 1674 CB THR A 107 -20.381 2.319 3.847 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.001 2.118 4.189 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.039 0.979 3.556 1.00 1.19 C ATOM 0 H THR A 107 -19.155 4.546 3.590 1.00 0.60 H new ATOM 0 HA THR A 107 -20.383 2.681 1.720 1.00 0.75 H new ATOM 0 HB THR A 107 -20.901 2.781 4.686 1.00 0.96 H new ATOM 0 HG1 THR A 107 -18.583 1.528 3.528 1.00 1.19 H new ATOM 0 HG21 THR A 107 -20.949 0.332 4.429 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.093 1.134 3.326 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.547 0.510 2.704 1.00 1.19 H new