USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=21 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.89) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 22 ASN : amide:sc= -2.47! C(o=-2.5!,f=-4.5!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00678 USER MOD Single : A 31 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.41) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 34 SER OG : rot 75:sc= 0.195 USER MOD Single : A 35 THR OG1 : rot -158:sc= 1.37 USER MOD Single : A 41 SER OG : rot 85:sc= 1.17 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= 1.19 (180deg=0.258) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.14) USER MOD Single : A 60 HIS : no HD1:sc=-0.000408 X(o=-0.00041,f=-0.046) USER MOD Single : A 64 SER OG : rot 180:sc=-0.00464 USER MOD Single : A 65 ASN : amide:sc= -0.0413 X(o=-0.041,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -0.561 X(o=-0.56,f=-0.18) USER MOD Single : A 70 THR OG1 : rot 129:sc= 1.24 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -148:sc= 1.23 (180deg=-0.565) USER MOD Single : A 80 TYR OH : rot 151:sc= 1.26 USER MOD Single : A 83 GLN : amide:sc= 0.289 K(o=0.29,f=-5!) USER MOD Single : A 87 LYS NZ :NH3+ 143:sc= 1.25 (180deg=-0.662) USER MOD Single : A 89 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.8) USER MOD Single : A 93 THR OG1 : rot 170:sc= 0 USER MOD Single : A 95 SER OG : rot 97:sc= 1.22 USER MOD Single : A 98 SER OG : rot -140:sc= 0.031 USER MOD Single : A 102 HIS : no HD1:sc= -0.0693 X(o=-0.069,f=-0.11) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0183 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 7 17.569 -4.034 1.710 1.00 1.09 N ATOM 78 CA LYS A 7 16.251 -4.416 2.227 1.00 1.10 C ATOM 79 C LYS A 7 15.690 -3.329 3.145 1.00 0.91 C ATOM 80 O LYS A 7 16.114 -3.184 4.293 1.00 0.98 O ATOM 81 CB LYS A 7 16.310 -5.761 2.963 1.00 1.37 C ATOM 82 CG LYS A 7 14.938 -6.358 3.248 1.00 1.06 C ATOM 83 CD LYS A 7 15.004 -7.867 3.410 1.00 1.05 C ATOM 84 CE LYS A 7 14.289 -8.586 2.275 1.00 1.34 C ATOM 85 NZ LYS A 7 14.981 -9.846 1.895 1.00 2.06 N ATOM 0 HA LYS A 7 15.582 -4.527 1.374 1.00 1.10 H new ATOM 0 HB2 LYS A 7 16.888 -6.467 2.367 1.00 1.37 H new ATOM 0 HB3 LYS A 7 16.842 -5.628 3.905 1.00 1.37 H new ATOM 0 HG2 LYS A 7 14.528 -5.912 4.155 1.00 1.06 H new ATOM 0 HG3 LYS A 7 14.257 -6.109 2.434 1.00 1.06 H new ATOM 0 HD2 LYS A 7 16.046 -8.184 3.443 1.00 1.05 H new ATOM 0 HD3 LYS A 7 14.554 -8.151 4.361 1.00 1.05 H new ATOM 0 HE2 LYS A 7 13.265 -8.810 2.575 1.00 1.34 H new ATOM 0 HE3 LYS A 7 14.230 -7.928 1.408 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 14.463 -10.306 1.119 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 15.950 -9.630 1.585 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 15.015 -10.485 2.715 1.00 2.06 H new ATOM 99 N PRO A 8 14.739 -2.534 2.641 1.00 0.74 N ATOM 100 CA PRO A 8 14.141 -1.441 3.406 1.00 0.60 C ATOM 101 C PRO A 8 13.282 -1.948 4.556 1.00 0.52 C ATOM 102 O PRO A 8 12.928 -3.128 4.614 1.00 0.60 O ATOM 103 CB PRO A 8 13.276 -0.690 2.388 1.00 0.61 C ATOM 104 CG PRO A 8 13.644 -1.249 1.052 1.00 0.84 C ATOM 105 CD PRO A 8 14.166 -2.635 1.295 1.00 0.81 C ATOM 0 HA PRO A 8 14.905 -0.814 3.865 1.00 0.60 H new ATOM 0 HB2 PRO A 8 12.215 -0.834 2.594 1.00 0.61 H new ATOM 0 HB3 PRO A 8 13.466 0.383 2.429 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.778 -1.272 0.390 1.00 0.84 H new ATOM 0 HG3 PRO A 8 14.399 -0.630 0.568 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.372 -3.380 1.248 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.915 -2.920 0.557 1.00 0.81 H new ATOM 113 N ASP A 9 12.928 -1.045 5.455 1.00 0.44 N ATOM 114 CA ASP A 9 12.091 -1.400 6.589 1.00 0.48 C ATOM 115 C ASP A 9 10.626 -1.196 6.230 1.00 0.41 C ATOM 116 O ASP A 9 10.323 -0.531 5.237 1.00 0.41 O ATOM 117 CB ASP A 9 12.467 -0.545 7.805 1.00 0.61 C ATOM 118 CG ASP A 9 13.396 -1.259 8.767 1.00 1.02 C ATOM 119 OD1 ASP A 9 13.647 -2.466 8.576 1.00 1.19 O ATOM 120 OD2 ASP A 9 13.893 -0.610 9.714 1.00 1.53 O ATOM 0 H ASP A 9 13.206 -0.064 5.422 1.00 0.44 H new ATOM 0 HA ASP A 9 12.250 -2.449 6.839 1.00 0.48 H new ATOM 0 HB2 ASP A 9 12.944 0.374 7.463 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.559 -0.255 8.333 1.00 0.61 H new ATOM 125 N PRO A 10 9.697 -1.767 7.015 1.00 0.56 N ATOM 126 CA PRO A 10 8.258 -1.590 6.794 1.00 0.74 C ATOM 127 C PRO A 10 7.876 -0.113 6.730 1.00 0.67 C ATOM 128 O PRO A 10 8.228 0.661 7.624 1.00 0.97 O ATOM 129 CB PRO A 10 7.627 -2.242 8.025 1.00 1.05 C ATOM 130 CG PRO A 10 8.634 -3.233 8.487 1.00 1.12 C ATOM 131 CD PRO A 10 9.973 -2.627 8.179 1.00 0.78 C ATOM 0 HA PRO A 10 7.929 -2.024 5.850 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.414 -1.504 8.798 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.682 -2.725 7.776 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.529 -3.429 9.554 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.509 -4.187 7.974 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.358 -2.052 9.021 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.716 -3.390 7.948 1.00 0.78 H new ATOM 139 N PRO A 11 7.212 0.308 5.641 1.00 0.37 N ATOM 140 CA PRO A 11 6.821 1.706 5.436 1.00 0.38 C ATOM 141 C PRO A 11 6.012 2.260 6.605 1.00 0.28 C ATOM 142 O PRO A 11 5.310 1.522 7.303 1.00 0.35 O ATOM 143 CB PRO A 11 5.971 1.673 4.158 1.00 0.50 C ATOM 144 CG PRO A 11 5.694 0.229 3.894 1.00 0.64 C ATOM 145 CD PRO A 11 6.836 -0.530 4.498 1.00 0.41 C ATOM 0 HA PRO A 11 7.691 2.358 5.358 1.00 0.38 H new ATOM 0 HB2 PRO A 11 5.044 2.232 4.290 1.00 0.50 H new ATOM 0 HB3 PRO A 11 6.502 2.129 3.323 1.00 0.50 H new ATOM 0 HG2 PRO A 11 4.746 -0.074 4.339 1.00 0.64 H new ATOM 0 HG3 PRO A 11 5.620 0.036 2.824 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.537 -1.530 4.811 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.660 -0.649 3.795 1.00 0.41 H new ATOM 153 N GLU A 12 6.105 3.564 6.806 1.00 0.28 N ATOM 154 CA GLU A 12 5.389 4.218 7.886 1.00 0.30 C ATOM 155 C GLU A 12 4.417 5.248 7.329 1.00 0.28 C ATOM 156 O GLU A 12 4.348 5.445 6.116 1.00 0.31 O ATOM 157 CB GLU A 12 6.371 4.878 8.854 1.00 0.47 C ATOM 158 CG GLU A 12 6.272 4.339 10.273 1.00 0.98 C ATOM 159 CD GLU A 12 5.358 5.170 11.148 1.00 1.58 C ATOM 160 OE1 GLU A 12 4.154 5.283 10.828 1.00 2.09 O ATOM 161 OE2 GLU A 12 5.843 5.734 12.149 1.00 2.11 O ATOM 0 H GLU A 12 6.671 4.191 6.234 1.00 0.28 H new ATOM 0 HA GLU A 12 4.820 3.465 8.432 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.387 4.731 8.487 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.190 5.953 8.868 1.00 0.47 H new ATOM 0 HG2 GLU A 12 5.906 3.313 10.243 1.00 0.98 H new ATOM 0 HG3 GLU A 12 7.267 4.310 10.717 1.00 0.98 H new ATOM 168 N ASN A 13 3.637 5.856 8.217 1.00 0.33 N ATOM 169 CA ASN A 13 2.627 6.851 7.838 1.00 0.37 C ATOM 170 C ASN A 13 1.563 6.231 6.932 1.00 0.32 C ATOM 171 O ASN A 13 0.903 6.926 6.163 1.00 0.35 O ATOM 172 CB ASN A 13 3.285 8.050 7.137 1.00 0.45 C ATOM 173 CG ASN A 13 2.423 9.298 7.169 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.754 9.581 8.163 1.00 0.82 O ATOM 175 ND2 ASN A 13 2.426 10.049 6.078 1.00 1.01 N ATOM 0 H ASN A 13 3.683 5.676 9.220 1.00 0.33 H new ATOM 0 HA ASN A 13 2.142 7.201 8.749 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.242 8.263 7.614 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.497 7.787 6.101 1.00 0.45 H new ATOM 0 HD21 ASN A 13 1.860 10.897 6.041 1.00 1.01 H new ATOM 0 HD22 ASN A 13 2.994 9.780 5.275 1.00 1.01 H new ATOM 182 N VAL A 14 1.439 4.909 6.992 1.00 0.30 N ATOM 183 CA VAL A 14 0.527 4.181 6.118 1.00 0.29 C ATOM 184 C VAL A 14 -0.883 4.134 6.688 1.00 0.32 C ATOM 185 O VAL A 14 -1.113 3.571 7.758 1.00 0.47 O ATOM 186 CB VAL A 14 1.006 2.734 5.875 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.559 2.243 4.509 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.516 2.632 6.002 1.00 0.69 C ATOM 0 H VAL A 14 1.961 4.318 7.639 1.00 0.30 H new ATOM 0 HA VAL A 14 0.516 4.724 5.173 1.00 0.29 H new ATOM 0 HB VAL A 14 0.554 2.100 6.638 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.907 1.221 4.358 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.529 2.268 4.452 1.00 0.45 H new ATOM 0 HG13 VAL A 14 0.978 2.887 3.736 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.827 1.602 5.826 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.988 3.284 5.267 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.818 2.936 7.004 1.00 0.69 H new ATOM 198 N VAL A 15 -1.831 4.666 5.932 1.00 0.27 N ATOM 199 CA VAL A 15 -3.233 4.613 6.312 1.00 0.35 C ATOM 200 C VAL A 15 -4.123 4.861 5.093 1.00 0.34 C ATOM 201 O VAL A 15 -3.853 5.753 4.284 1.00 0.39 O ATOM 202 CB VAL A 15 -3.563 5.629 7.439 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.273 7.059 7.004 1.00 1.34 C ATOM 204 CG2 VAL A 15 -5.009 5.488 7.899 1.00 1.48 C ATOM 0 H VAL A 15 -1.653 5.142 5.047 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.432 3.615 6.701 1.00 0.35 H new ATOM 0 HB VAL A 15 -2.913 5.400 8.284 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.516 7.743 7.817 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -2.217 7.155 6.751 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -3.879 7.304 6.131 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -5.212 6.212 8.688 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -5.678 5.671 7.058 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -5.173 4.480 8.280 1.00 1.48 H new ATOM 214 N ALA A 16 -5.156 4.046 4.945 1.00 0.35 N ATOM 215 CA ALA A 16 -6.088 4.196 3.842 1.00 0.38 C ATOM 216 C ALA A 16 -7.232 5.104 4.260 1.00 0.36 C ATOM 217 O ALA A 16 -7.812 4.931 5.333 1.00 0.39 O ATOM 218 CB ALA A 16 -6.608 2.842 3.393 1.00 0.45 C ATOM 0 H ALA A 16 -5.369 3.274 5.576 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.570 4.650 2.997 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -7.305 2.976 2.566 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.773 2.221 3.067 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -7.120 2.355 4.223 1.00 0.45 H new ATOM 224 N ARG A 17 -7.444 6.160 3.496 1.00 0.37 N ATOM 225 CA ARG A 17 -8.402 7.182 3.878 1.00 0.37 C ATOM 226 C ARG A 17 -9.705 7.052 3.102 1.00 0.35 C ATOM 227 O ARG A 17 -9.708 6.990 1.870 1.00 0.48 O ATOM 228 CB ARG A 17 -7.806 8.571 3.657 1.00 0.50 C ATOM 229 CG ARG A 17 -6.852 9.003 4.754 1.00 1.21 C ATOM 230 CD ARG A 17 -7.594 9.657 5.908 1.00 1.69 C ATOM 231 NE ARG A 17 -6.815 9.617 7.143 1.00 2.32 N ATOM 232 CZ ARG A 17 -5.787 10.426 7.399 1.00 3.06 C ATOM 233 NH1 ARG A 17 -5.494 11.416 6.561 1.00 3.37 N ATOM 234 NH2 ARG A 17 -5.076 10.267 8.507 1.00 3.99 N ATOM 0 H ARG A 17 -6.968 6.332 2.611 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.626 7.044 4.936 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.279 8.584 2.703 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.615 9.297 3.584 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -6.299 8.138 5.119 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -6.120 9.701 4.348 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -7.821 10.692 5.654 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -8.547 9.150 6.062 1.00 1.69 H new ATOM 0 HE ARG A 17 -7.073 8.930 7.851 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -6.056 11.557 5.722 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -4.707 12.035 6.758 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -5.315 9.525 9.165 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -4.290 10.887 8.702 1.00 3.99 H new ATOM 248 N PRO A 18 -10.835 7.050 3.822 1.00 0.31 N ATOM 249 CA PRO A 18 -12.161 6.995 3.220 1.00 0.38 C ATOM 250 C PRO A 18 -12.522 8.312 2.551 1.00 0.39 C ATOM 251 O PRO A 18 -12.671 9.335 3.223 1.00 0.46 O ATOM 252 CB PRO A 18 -13.104 6.738 4.406 1.00 0.49 C ATOM 253 CG PRO A 18 -12.220 6.482 5.584 1.00 0.57 C ATOM 254 CD PRO A 18 -10.914 7.151 5.282 1.00 0.43 C ATOM 0 HA PRO A 18 -12.222 6.230 2.446 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -13.752 7.596 4.583 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.753 5.884 4.211 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -12.661 6.884 6.496 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.082 5.412 5.741 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.902 8.188 5.618 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.079 6.648 5.769 1.00 0.43 H new ATOM 262 N VAL A 19 -12.634 8.296 1.233 1.00 0.40 N ATOM 263 CA VAL A 19 -12.989 9.494 0.490 1.00 0.45 C ATOM 264 C VAL A 19 -14.491 9.735 0.584 1.00 0.48 C ATOM 265 O VAL A 19 -15.281 8.904 0.149 1.00 0.47 O ATOM 266 CB VAL A 19 -12.568 9.386 -0.992 1.00 0.47 C ATOM 267 CG1 VAL A 19 -12.796 10.704 -1.715 1.00 0.59 C ATOM 268 CG2 VAL A 19 -11.112 8.963 -1.099 1.00 0.52 C ATOM 0 H VAL A 19 -12.485 7.468 0.656 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.454 10.334 0.932 1.00 0.45 H new ATOM 0 HB VAL A 19 -13.186 8.626 -1.470 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -12.492 10.605 -2.757 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -13.853 10.967 -1.668 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -12.206 11.487 -1.239 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -10.830 8.891 -2.149 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.481 9.701 -0.604 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -10.979 7.993 -0.621 1.00 0.52 H new ATOM 278 N PRO A 20 -14.906 10.841 1.222 1.00 0.58 N ATOM 279 CA PRO A 20 -16.326 11.137 1.456 1.00 0.69 C ATOM 280 C PRO A 20 -17.088 11.389 0.161 1.00 0.70 C ATOM 281 O PRO A 20 -18.312 11.275 0.112 1.00 1.27 O ATOM 282 CB PRO A 20 -16.301 12.410 2.313 1.00 0.84 C ATOM 283 CG PRO A 20 -14.916 12.489 2.862 1.00 0.97 C ATOM 284 CD PRO A 20 -14.029 11.851 1.834 1.00 0.67 C ATOM 0 HA PRO A 20 -16.836 10.299 1.932 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -16.538 13.291 1.716 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -17.039 12.360 3.114 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -14.625 13.524 3.040 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -14.844 11.969 3.817 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -13.675 12.576 1.101 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.147 11.399 2.287 1.00 0.67 H new ATOM 292 N SER A 21 -16.358 11.766 -0.875 1.00 0.80 N ATOM 293 CA SER A 21 -16.956 12.083 -2.160 1.00 0.85 C ATOM 294 C SER A 21 -16.950 10.870 -3.086 1.00 0.65 C ATOM 295 O SER A 21 -17.373 10.959 -4.240 1.00 0.69 O ATOM 296 CB SER A 21 -16.184 13.236 -2.796 1.00 1.07 C ATOM 297 OG SER A 21 -15.115 13.646 -1.952 1.00 1.49 O ATOM 0 H SER A 21 -15.343 11.860 -0.850 1.00 0.80 H new ATOM 0 HA SER A 21 -17.995 12.374 -2.004 1.00 0.85 H new ATOM 0 HB2 SER A 21 -15.792 12.928 -3.765 1.00 1.07 H new ATOM 0 HB3 SER A 21 -16.856 14.076 -2.976 1.00 1.07 H new ATOM 0 HG SER A 21 -14.629 14.385 -2.375 1.00 1.49 H new ATOM 303 N ASN A 22 -16.438 9.748 -2.593 1.00 0.55 N ATOM 304 CA ASN A 22 -16.332 8.545 -3.401 1.00 0.44 C ATOM 305 C ASN A 22 -16.658 7.303 -2.580 1.00 0.40 C ATOM 306 O ASN A 22 -15.910 6.925 -1.678 1.00 0.43 O ATOM 307 CB ASN A 22 -14.928 8.436 -3.983 1.00 0.57 C ATOM 308 CG ASN A 22 -14.913 7.716 -5.310 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.413 6.600 -5.432 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.320 8.345 -6.310 1.00 1.28 N ATOM 0 H ASN A 22 -16.091 9.649 -1.639 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.055 8.612 -4.214 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -14.511 9.435 -4.109 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.285 7.909 -3.279 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.264 7.904 -7.228 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -13.918 9.271 -6.163 1.00 1.28 H new ATOM 317 N PRO A 23 -17.774 6.636 -2.903 1.00 0.40 N ATOM 318 CA PRO A 23 -18.246 5.457 -2.166 1.00 0.43 C ATOM 319 C PRO A 23 -17.436 4.198 -2.457 1.00 0.48 C ATOM 320 O PRO A 23 -17.876 3.084 -2.159 1.00 0.98 O ATOM 321 CB PRO A 23 -19.677 5.286 -2.671 1.00 0.56 C ATOM 322 CG PRO A 23 -19.660 5.851 -4.047 1.00 0.70 C ATOM 323 CD PRO A 23 -18.684 6.994 -4.008 1.00 0.48 C ATOM 0 HA PRO A 23 -18.157 5.599 -1.089 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.972 4.237 -2.677 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.388 5.814 -2.035 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -19.353 5.100 -4.775 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.652 6.194 -4.341 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.148 7.096 -4.952 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.186 7.944 -3.822 1.00 0.48 H new ATOM 331 N ARG A 24 -16.303 4.363 -3.120 1.00 0.31 N ATOM 332 CA ARG A 24 -15.488 3.228 -3.514 1.00 0.27 C ATOM 333 C ARG A 24 -14.001 3.561 -3.464 1.00 0.26 C ATOM 334 O ARG A 24 -13.165 2.720 -3.783 1.00 0.31 O ATOM 335 CB ARG A 24 -15.867 2.781 -4.925 1.00 0.35 C ATOM 336 CG ARG A 24 -15.968 1.276 -5.080 1.00 0.37 C ATOM 337 CD ARG A 24 -16.922 0.889 -6.193 1.00 0.62 C ATOM 338 NE ARG A 24 -18.315 1.159 -5.835 1.00 1.27 N ATOM 339 CZ ARG A 24 -19.193 1.770 -6.633 1.00 2.02 C ATOM 340 NH1 ARG A 24 -18.841 2.163 -7.854 1.00 2.44 N ATOM 341 NH2 ARG A 24 -20.428 1.990 -6.202 1.00 2.86 N ATOM 0 H ARG A 24 -15.928 5.271 -3.396 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.677 2.420 -2.807 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -16.823 3.230 -5.195 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -15.126 3.161 -5.628 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -14.980 0.865 -5.288 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -16.306 0.836 -4.142 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -16.666 1.440 -7.098 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -16.804 -0.170 -6.420 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.636 0.860 -4.914 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -17.892 1.998 -8.189 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -19.520 2.629 -8.455 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -20.702 1.693 -5.266 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -21.104 2.457 -6.807 1.00 2.86 H new ATOM 355 N ARG A 25 -13.667 4.797 -3.118 1.00 0.23 N ATOM 356 CA ARG A 25 -12.272 5.224 -3.154 1.00 0.26 C ATOM 357 C ARG A 25 -11.621 5.223 -1.777 1.00 0.24 C ATOM 358 O ARG A 25 -12.098 5.871 -0.842 1.00 0.24 O ATOM 359 CB ARG A 25 -12.149 6.609 -3.776 1.00 0.32 C ATOM 360 CG ARG A 25 -10.819 6.847 -4.469 1.00 0.51 C ATOM 361 CD ARG A 25 -10.616 8.319 -4.778 1.00 0.80 C ATOM 362 NE ARG A 25 -10.408 8.553 -6.204 1.00 1.32 N ATOM 363 CZ ARG A 25 -9.428 9.302 -6.702 1.00 1.71 C ATOM 364 NH1 ARG A 25 -8.539 9.877 -5.896 1.00 2.14 N ATOM 365 NH2 ARG A 25 -9.323 9.464 -8.014 1.00 2.31 N ATOM 0 H ARG A 25 -14.328 5.512 -2.814 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.743 4.496 -3.769 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -12.955 6.748 -4.497 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.284 7.361 -2.998 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.007 6.491 -3.835 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.779 6.270 -5.393 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -11.485 8.884 -4.441 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -9.757 8.692 -4.220 1.00 0.80 H new ATOM 0 HE ARG A 25 -11.055 8.115 -6.860 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -8.605 9.745 -4.887 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -7.791 10.450 -6.287 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -9.993 9.015 -8.639 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -8.573 10.038 -8.399 1.00 2.31 H new ATOM 379 N LEU A 26 -10.449 4.613 -1.719 1.00 0.29 N ATOM 380 CA LEU A 26 -9.608 4.642 -0.536 1.00 0.35 C ATOM 381 C LEU A 26 -8.287 5.314 -0.878 1.00 0.39 C ATOM 382 O LEU A 26 -7.521 4.802 -1.695 1.00 0.44 O ATOM 383 CB LEU A 26 -9.343 3.225 -0.021 1.00 0.44 C ATOM 384 CG LEU A 26 -10.400 2.654 0.927 1.00 0.36 C ATOM 385 CD1 LEU A 26 -9.914 1.350 1.537 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.744 3.652 2.018 1.00 0.43 C ATOM 0 H LEU A 26 -10.053 4.082 -2.495 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.122 5.202 0.246 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.252 2.558 -0.878 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.381 3.219 0.491 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.303 2.455 0.350 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.677 0.956 2.209 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -9.721 0.627 0.744 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -8.996 1.530 2.096 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.497 3.223 2.679 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.848 3.886 2.593 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -11.134 4.564 1.567 1.00 0.43 H new ATOM 398 N GLU A 27 -8.047 6.474 -0.292 1.00 0.41 N ATOM 399 CA GLU A 27 -6.826 7.215 -0.554 1.00 0.47 C ATOM 400 C GLU A 27 -5.698 6.695 0.328 1.00 0.41 C ATOM 401 O GLU A 27 -5.612 7.033 1.511 1.00 0.48 O ATOM 402 CB GLU A 27 -7.047 8.708 -0.319 1.00 0.51 C ATOM 403 CG GLU A 27 -6.552 9.577 -1.462 1.00 0.99 C ATOM 404 CD GLU A 27 -7.678 10.215 -2.244 1.00 1.26 C ATOM 405 OE1 GLU A 27 -8.134 11.309 -1.848 1.00 1.63 O ATOM 406 OE2 GLU A 27 -8.103 9.634 -3.262 1.00 1.82 O ATOM 0 H GLU A 27 -8.682 6.923 0.368 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.546 7.071 -1.598 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -8.111 8.891 -0.167 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -6.539 9.003 0.599 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -5.904 10.358 -1.064 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -5.945 8.972 -2.136 1.00 0.99 H new ATOM 413 N VAL A 28 -4.899 5.799 -0.231 1.00 0.40 N ATOM 414 CA VAL A 28 -3.824 5.148 0.505 1.00 0.38 C ATOM 415 C VAL A 28 -2.556 5.992 0.491 1.00 0.35 C ATOM 416 O VAL A 28 -1.799 5.976 -0.481 1.00 0.42 O ATOM 417 CB VAL A 28 -3.495 3.755 -0.081 1.00 0.49 C ATOM 418 CG1 VAL A 28 -3.368 2.726 1.026 1.00 0.61 C ATOM 419 CG2 VAL A 28 -4.542 3.317 -1.096 1.00 0.68 C ATOM 0 H VAL A 28 -4.976 5.503 -1.204 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.176 5.033 1.530 1.00 0.38 H new ATOM 0 HB VAL A 28 -2.539 3.832 -0.599 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -3.136 1.753 0.593 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -2.569 3.020 1.706 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -4.308 2.665 1.575 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -4.280 2.334 -1.488 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.518 3.267 -0.613 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -4.579 4.036 -1.914 1.00 0.68 H new ATOM 429 N THR A 29 -2.305 6.698 1.578 1.00 0.31 N ATOM 430 CA THR A 29 -1.103 7.503 1.694 1.00 0.30 C ATOM 431 C THR A 29 -0.147 6.887 2.706 1.00 0.28 C ATOM 432 O THR A 29 -0.577 6.331 3.721 1.00 0.31 O ATOM 433 CB THR A 29 -1.434 8.942 2.129 1.00 0.35 C ATOM 434 OG1 THR A 29 -2.656 8.953 2.881 1.00 0.69 O ATOM 435 CG2 THR A 29 -1.567 9.858 0.920 1.00 0.59 C ATOM 0 H THR A 29 -2.917 6.730 2.393 1.00 0.31 H new ATOM 0 HA THR A 29 -0.632 7.531 0.711 1.00 0.30 H new ATOM 0 HB THR A 29 -0.618 9.309 2.752 1.00 0.35 H new ATOM 0 HG1 THR A 29 -2.862 9.870 3.157 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.801 10.869 1.253 1.00 0.59 H new ATOM 0 HG22 THR A 29 -0.629 9.867 0.365 1.00 0.59 H new ATOM 0 HG23 THR A 29 -2.367 9.495 0.274 1.00 0.59 H new ATOM 443 N TRP A 30 1.145 7.007 2.439 1.00 0.27 N ATOM 444 CA TRP A 30 2.161 6.511 3.351 1.00 0.28 C ATOM 445 C TRP A 30 3.488 7.208 3.095 1.00 0.27 C ATOM 446 O TRP A 30 3.570 8.144 2.296 1.00 0.33 O ATOM 447 CB TRP A 30 2.326 4.988 3.226 1.00 0.29 C ATOM 448 CG TRP A 30 2.751 4.523 1.866 1.00 0.25 C ATOM 449 CD1 TRP A 30 4.026 4.445 1.382 1.00 0.40 C ATOM 450 CD2 TRP A 30 1.897 4.053 0.818 1.00 0.25 C ATOM 451 NE1 TRP A 30 4.013 3.976 0.093 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.720 3.724 -0.274 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.517 3.883 0.698 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.205 3.236 -1.471 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.009 3.399 -0.490 1.00 0.49 C ATOM 456 CH2 TRP A 30 0.852 3.078 -1.559 1.00 0.46 C ATOM 0 H TRP A 30 1.514 7.445 1.595 1.00 0.27 H new ATOM 0 HA TRP A 30 1.836 6.732 4.368 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.061 4.653 3.958 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.380 4.510 3.482 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.915 4.713 1.934 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.834 3.838 -0.496 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.141 4.126 1.519 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 2.852 2.991 -2.300 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -1.057 3.266 -0.596 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.423 2.697 -2.474 1.00 0.46 H new ATOM 467 N GLN A 31 4.517 6.737 3.769 1.00 0.28 N ATOM 468 CA GLN A 31 5.859 7.264 3.619 1.00 0.29 C ATOM 469 C GLN A 31 6.850 6.115 3.727 1.00 0.29 C ATOM 470 O GLN A 31 6.467 4.995 4.067 1.00 0.29 O ATOM 471 CB GLN A 31 6.145 8.309 4.704 1.00 0.32 C ATOM 472 CG GLN A 31 5.816 9.734 4.288 1.00 0.64 C ATOM 473 CD GLN A 31 6.540 10.154 3.024 1.00 0.85 C ATOM 474 OE1 GLN A 31 7.684 10.603 3.069 1.00 1.65 O ATOM 475 NE2 GLN A 31 5.879 10.008 1.890 1.00 0.79 N ATOM 0 H GLN A 31 4.446 5.973 4.441 1.00 0.28 H new ATOM 0 HA GLN A 31 5.956 7.746 2.646 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.570 8.059 5.596 1.00 0.32 H new ATOM 0 HB3 GLN A 31 7.199 8.255 4.978 1.00 0.32 H new ATOM 0 HG2 GLN A 31 4.741 9.824 4.134 1.00 0.64 H new ATOM 0 HG3 GLN A 31 6.080 10.415 5.097 1.00 0.64 H new ATOM 0 HE21 GLN A 31 4.931 9.631 1.897 1.00 0.79 H new ATOM 0 HE22 GLN A 31 6.316 10.272 1.007 1.00 0.79 H new ATOM 484 N THR A 32 8.123 6.411 3.549 1.00 0.34 N ATOM 485 CA THR A 32 9.157 5.418 3.761 1.00 0.36 C ATOM 486 C THR A 32 9.275 5.129 5.256 1.00 0.41 C ATOM 487 O THR A 32 8.789 5.909 6.077 1.00 0.49 O ATOM 488 CB THR A 32 10.512 5.908 3.220 1.00 0.42 C ATOM 489 OG1 THR A 32 10.533 7.344 3.186 1.00 0.49 O ATOM 490 CG2 THR A 32 10.763 5.368 1.821 1.00 0.49 C ATOM 0 H THR A 32 8.465 7.327 3.259 1.00 0.34 H new ATOM 0 HA THR A 32 8.885 4.509 3.224 1.00 0.36 H new ATOM 0 HB THR A 32 11.296 5.543 3.883 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.398 7.650 2.843 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.726 5.728 1.460 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.769 4.278 1.847 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.974 5.710 1.152 1.00 0.49 H new ATOM 498 N PRO A 33 9.885 4.000 5.640 1.00 0.39 N ATOM 499 CA PRO A 33 10.071 3.654 7.050 1.00 0.46 C ATOM 500 C PRO A 33 10.801 4.758 7.812 1.00 0.56 C ATOM 501 O PRO A 33 11.546 5.539 7.220 1.00 0.60 O ATOM 502 CB PRO A 33 10.929 2.384 7.005 1.00 0.46 C ATOM 503 CG PRO A 33 11.484 2.333 5.620 1.00 0.42 C ATOM 504 CD PRO A 33 10.455 2.983 4.748 1.00 0.35 C ATOM 0 HA PRO A 33 9.120 3.517 7.565 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.726 2.421 7.747 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.332 1.498 7.223 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.437 2.859 5.560 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.668 1.305 5.309 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.899 3.427 3.857 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.702 2.272 4.409 1.00 0.35 H new ATOM 512 N SER A 34 10.600 4.811 9.120 1.00 0.66 N ATOM 513 CA SER A 34 11.239 5.819 9.958 1.00 0.80 C ATOM 514 C SER A 34 12.761 5.682 9.913 1.00 0.86 C ATOM 515 O SER A 34 13.496 6.643 10.146 1.00 0.96 O ATOM 516 CB SER A 34 10.731 5.670 11.388 1.00 0.92 C ATOM 517 OG SER A 34 9.807 4.595 11.475 1.00 1.02 O ATOM 0 H SER A 34 9.996 4.165 9.628 1.00 0.66 H new ATOM 0 HA SER A 34 10.986 6.810 9.582 1.00 0.80 H new ATOM 0 HB2 SER A 34 11.569 5.493 12.062 1.00 0.92 H new ATOM 0 HB3 SER A 34 10.253 6.596 11.709 1.00 0.92 H new ATOM 0 HG SER A 34 10.291 3.744 11.439 1.00 1.02 H new ATOM 523 N THR A 35 13.221 4.487 9.579 1.00 0.82 N ATOM 524 CA THR A 35 14.638 4.206 9.477 1.00 0.91 C ATOM 525 C THR A 35 15.209 4.714 8.154 1.00 0.92 C ATOM 526 O THR A 35 16.401 4.995 8.048 1.00 1.11 O ATOM 527 CB THR A 35 14.876 2.696 9.589 1.00 0.89 C ATOM 528 OG1 THR A 35 13.644 2.008 9.328 1.00 0.85 O ATOM 529 CG2 THR A 35 15.383 2.327 10.975 1.00 1.08 C ATOM 0 H THR A 35 12.621 3.688 9.372 1.00 0.82 H new ATOM 0 HA THR A 35 15.145 4.723 10.292 1.00 0.91 H new ATOM 0 HB THR A 35 15.632 2.404 8.860 1.00 0.89 H new ATOM 0 HG1 THR A 35 13.678 1.113 9.727 1.00 0.85 H new ATOM 0 HG21 THR A 35 15.544 1.250 11.029 1.00 1.08 H new ATOM 0 HG22 THR A 35 16.323 2.845 11.168 1.00 1.08 H new ATOM 0 HG23 THR A 35 14.646 2.621 11.722 1.00 1.08 H new ATOM 537 N TRP A 36 14.343 4.855 7.155 1.00 0.80 N ATOM 538 CA TRP A 36 14.753 5.340 5.846 1.00 0.83 C ATOM 539 C TRP A 36 14.826 6.862 5.828 1.00 1.00 C ATOM 540 O TRP A 36 13.857 7.546 6.171 1.00 1.09 O ATOM 541 CB TRP A 36 13.784 4.857 4.769 1.00 0.74 C ATOM 542 CG TRP A 36 14.470 4.410 3.518 1.00 0.78 C ATOM 543 CD1 TRP A 36 14.453 5.036 2.305 1.00 0.86 C ATOM 544 CD2 TRP A 36 15.282 3.241 3.359 1.00 0.87 C ATOM 545 NE1 TRP A 36 15.203 4.329 1.401 1.00 0.97 N ATOM 546 CE2 TRP A 36 15.724 3.222 2.024 1.00 0.98 C ATOM 547 CE3 TRP A 36 15.679 2.209 4.215 1.00 0.97 C ATOM 548 CZ2 TRP A 36 16.541 2.212 1.525 1.00 1.14 C ATOM 549 CZ3 TRP A 36 16.491 1.207 3.718 1.00 1.14 C ATOM 550 CH2 TRP A 36 16.914 1.216 2.383 1.00 1.21 C ATOM 0 H TRP A 36 13.349 4.639 7.230 1.00 0.80 H new ATOM 0 HA TRP A 36 15.746 4.941 5.637 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.192 4.032 5.166 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.089 5.661 4.527 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.926 5.954 2.089 1.00 0.86 H new ATOM 0 HE1 TRP A 36 15.350 4.584 0.424 1.00 0.97 H new ATOM 0 HE3 TRP A 36 15.357 2.195 5.246 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 16.869 2.215 0.496 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 16.804 0.405 4.369 1.00 1.14 H new ATOM 0 HH2 TRP A 36 17.548 0.419 2.024 1.00 1.21 H new ATOM 561 N PRO A 37 15.990 7.412 5.469 1.00 1.20 N ATOM 562 CA PRO A 37 16.216 8.846 5.422 1.00 1.44 C ATOM 563 C PRO A 37 15.887 9.433 4.049 1.00 1.34 C ATOM 564 O PRO A 37 14.760 9.869 3.805 1.00 1.49 O ATOM 565 CB PRO A 37 17.716 8.974 5.724 1.00 1.76 C ATOM 566 CG PRO A 37 18.289 7.587 5.643 1.00 1.78 C ATOM 567 CD PRO A 37 17.207 6.681 5.121 1.00 1.34 C ATOM 0 HA PRO A 37 15.582 9.390 6.122 1.00 1.44 H new ATOM 0 HB2 PRO A 37 18.201 9.636 5.007 1.00 1.76 H new ATOM 0 HB3 PRO A 37 17.877 9.403 6.713 1.00 1.76 H new ATOM 0 HG2 PRO A 37 19.156 7.568 4.983 1.00 1.78 H new ATOM 0 HG3 PRO A 37 18.628 7.254 6.624 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.293 6.523 4.046 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.239 5.698 5.591 1.00 1.34 H new ATOM 575 N ASP A 38 16.869 9.421 3.155 1.00 1.33 N ATOM 576 CA ASP A 38 16.691 9.948 1.809 1.00 1.35 C ATOM 577 C ASP A 38 16.178 8.862 0.866 1.00 1.29 C ATOM 578 O ASP A 38 16.847 7.853 0.642 1.00 1.42 O ATOM 579 CB ASP A 38 18.015 10.513 1.280 1.00 1.65 C ATOM 580 CG ASP A 38 17.962 10.854 -0.197 1.00 1.90 C ATOM 581 OD1 ASP A 38 18.152 9.944 -1.031 1.00 2.16 O ATOM 582 OD2 ASP A 38 17.730 12.035 -0.532 1.00 2.28 O ATOM 0 H ASP A 38 17.801 9.050 3.340 1.00 1.33 H new ATOM 0 HA ASP A 38 15.953 10.749 1.853 1.00 1.35 H new ATOM 0 HB2 ASP A 38 18.274 11.408 1.845 1.00 1.65 H new ATOM 0 HB3 ASP A 38 18.809 9.786 1.452 1.00 1.65 H new ATOM 587 N PRO A 39 14.971 9.044 0.320 1.00 1.31 N ATOM 588 CA PRO A 39 14.361 8.092 -0.590 1.00 1.44 C ATOM 589 C PRO A 39 14.614 8.449 -2.055 1.00 1.61 C ATOM 590 O PRO A 39 13.823 8.107 -2.937 1.00 1.84 O ATOM 591 CB PRO A 39 12.878 8.217 -0.245 1.00 1.62 C ATOM 592 CG PRO A 39 12.698 9.612 0.284 1.00 1.69 C ATOM 593 CD PRO A 39 14.071 10.174 0.581 1.00 1.44 C ATOM 0 HA PRO A 39 14.761 7.084 -0.481 1.00 1.44 H new ATOM 0 HB2 PRO A 39 12.256 8.049 -1.124 1.00 1.62 H new ATOM 0 HB3 PRO A 39 12.586 7.476 0.499 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.180 10.234 -0.446 1.00 1.69 H new ATOM 0 HG3 PRO A 39 12.086 9.603 1.186 1.00 1.69 H new ATOM 0 HD2 PRO A 39 14.302 11.026 -0.058 1.00 1.44 H new ATOM 0 HD3 PRO A 39 14.149 10.518 1.612 1.00 1.44 H new ATOM 601 N GLU A 40 15.712 9.154 -2.308 1.00 1.57 N ATOM 602 CA GLU A 40 16.073 9.553 -3.661 1.00 1.76 C ATOM 603 C GLU A 40 17.263 8.739 -4.141 1.00 1.76 C ATOM 604 O GLU A 40 17.263 8.210 -5.255 1.00 1.90 O ATOM 605 CB GLU A 40 16.394 11.046 -3.713 1.00 1.90 C ATOM 606 CG GLU A 40 15.225 11.926 -3.303 1.00 2.12 C ATOM 607 CD GLU A 40 14.303 12.243 -4.458 1.00 2.36 C ATOM 608 OE1 GLU A 40 13.523 11.354 -4.865 1.00 2.91 O ATOM 609 OE2 GLU A 40 14.347 13.383 -4.960 1.00 2.63 O ATOM 0 H GLU A 40 16.368 9.461 -1.590 1.00 1.57 H new ATOM 0 HA GLU A 40 15.226 9.363 -4.320 1.00 1.76 H new ATOM 0 HB2 GLU A 40 17.241 11.251 -3.059 1.00 1.90 H new ATOM 0 HB3 GLU A 40 16.701 11.310 -4.725 1.00 1.90 H new ATOM 0 HG2 GLU A 40 14.658 11.428 -2.517 1.00 2.12 H new ATOM 0 HG3 GLU A 40 15.606 12.856 -2.881 1.00 2.12 H new ATOM 616 N SER A 41 18.224 8.554 -3.248 1.00 1.67 N ATOM 617 CA SER A 41 19.362 7.692 -3.515 1.00 1.75 C ATOM 618 C SER A 41 18.891 6.245 -3.568 1.00 1.63 C ATOM 619 O SER A 41 19.229 5.501 -4.488 1.00 1.67 O ATOM 620 CB SER A 41 20.426 7.881 -2.433 1.00 1.82 C ATOM 621 OG SER A 41 20.472 9.235 -1.998 1.00 1.89 O ATOM 0 H SER A 41 18.236 8.993 -2.327 1.00 1.67 H new ATOM 0 HA SER A 41 19.807 7.953 -4.475 1.00 1.75 H new ATOM 0 HB2 SER A 41 20.209 7.230 -1.586 1.00 1.82 H new ATOM 0 HB3 SER A 41 21.401 7.586 -2.821 1.00 1.82 H new ATOM 0 HG SER A 41 19.792 9.380 -1.308 1.00 1.89 H new ATOM 627 N PHE A 42 17.944 5.931 -2.692 1.00 1.51 N ATOM 628 CA PHE A 42 17.251 4.653 -2.733 1.00 1.41 C ATOM 629 C PHE A 42 15.774 4.899 -3.038 1.00 1.27 C ATOM 630 O PHE A 42 15.010 5.281 -2.151 1.00 1.40 O ATOM 631 CB PHE A 42 17.404 3.907 -1.402 1.00 1.58 C ATOM 632 CG PHE A 42 18.757 4.064 -0.770 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.853 3.379 -1.269 1.00 2.54 C ATOM 634 CD2 PHE A 42 18.929 4.886 0.332 1.00 2.38 C ATOM 635 CE1 PHE A 42 21.097 3.518 -0.688 1.00 3.12 C ATOM 636 CE2 PHE A 42 20.171 5.030 0.917 1.00 3.01 C ATOM 637 CZ PHE A 42 21.257 4.343 0.409 1.00 3.32 C ATOM 0 H PHE A 42 17.638 6.550 -1.941 1.00 1.51 H new ATOM 0 HA PHE A 42 17.689 4.032 -3.515 1.00 1.41 H new ATOM 0 HB2 PHE A 42 16.645 4.265 -0.706 1.00 1.58 H new ATOM 0 HB3 PHE A 42 17.211 2.847 -1.566 1.00 1.58 H new ATOM 0 HD1 PHE A 42 19.732 2.729 -2.123 1.00 2.54 H new ATOM 0 HD2 PHE A 42 18.082 5.420 0.738 1.00 2.38 H new ATOM 0 HE1 PHE A 42 21.944 2.983 -1.090 1.00 3.12 H new ATOM 0 HE2 PHE A 42 20.294 5.679 1.771 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.229 4.451 0.868 1.00 3.32 H new ATOM 647 N PRO A 43 15.401 4.849 -4.330 1.00 1.24 N ATOM 648 CA PRO A 43 14.052 5.214 -4.796 1.00 1.33 C ATOM 649 C PRO A 43 12.949 4.403 -4.126 1.00 1.26 C ATOM 650 O PRO A 43 11.922 4.953 -3.723 1.00 1.97 O ATOM 651 CB PRO A 43 14.105 4.900 -6.292 1.00 1.58 C ATOM 652 CG PRO A 43 15.540 5.036 -6.653 1.00 1.75 C ATOM 653 CD PRO A 43 16.307 4.556 -5.455 1.00 1.40 C ATOM 0 HA PRO A 43 13.813 6.251 -4.562 1.00 1.33 H new ATOM 0 HB2 PRO A 43 13.738 3.895 -6.499 1.00 1.58 H new ATOM 0 HB3 PRO A 43 13.485 5.590 -6.864 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.780 4.442 -7.535 1.00 1.75 H new ATOM 0 HG3 PRO A 43 15.788 6.071 -6.888 1.00 1.75 H new ATOM 0 HD2 PRO A 43 16.533 3.492 -5.522 1.00 1.40 H new ATOM 0 HD3 PRO A 43 17.258 5.078 -5.351 1.00 1.40 H new ATOM 661 N LEU A 44 13.182 3.094 -4.031 1.00 0.98 N ATOM 662 CA LEU A 44 12.248 2.151 -3.419 1.00 0.82 C ATOM 663 C LEU A 44 11.040 1.875 -4.312 1.00 0.78 C ATOM 664 O LEU A 44 10.391 2.787 -4.829 1.00 0.98 O ATOM 665 CB LEU A 44 11.785 2.630 -2.039 1.00 0.83 C ATOM 666 CG LEU A 44 12.192 1.722 -0.878 1.00 0.70 C ATOM 667 CD1 LEU A 44 13.703 1.708 -0.720 1.00 1.54 C ATOM 668 CD2 LEU A 44 11.524 2.168 0.411 1.00 1.29 C ATOM 0 H LEU A 44 14.034 2.655 -4.381 1.00 0.98 H new ATOM 0 HA LEU A 44 12.794 1.216 -3.295 1.00 0.82 H new ATOM 0 HB2 LEU A 44 12.188 3.627 -1.861 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.699 2.722 -2.047 1.00 0.83 H new ATOM 0 HG LEU A 44 11.859 0.708 -1.101 1.00 0.70 H new ATOM 0 HD11 LEU A 44 13.976 1.057 0.111 1.00 1.54 H new ATOM 0 HD12 LEU A 44 14.161 1.338 -1.637 1.00 1.54 H new ATOM 0 HD13 LEU A 44 14.057 2.719 -0.520 1.00 1.54 H new ATOM 0 HD21 LEU A 44 11.827 1.509 1.225 1.00 1.29 H new ATOM 0 HD22 LEU A 44 11.824 3.190 0.641 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.441 2.125 0.293 1.00 1.29 H new ATOM 680 N LYS A 45 10.708 0.601 -4.408 1.00 0.70 N ATOM 681 CA LYS A 45 9.537 0.143 -5.126 1.00 0.68 C ATOM 682 C LYS A 45 8.543 -0.434 -4.130 1.00 0.60 C ATOM 683 O LYS A 45 8.824 -1.445 -3.484 1.00 0.76 O ATOM 684 CB LYS A 45 9.933 -0.925 -6.145 1.00 0.78 C ATOM 685 CG LYS A 45 10.162 -0.379 -7.541 1.00 1.13 C ATOM 686 CD LYS A 45 8.974 -0.663 -8.438 1.00 1.25 C ATOM 687 CE LYS A 45 9.392 -0.822 -9.888 1.00 1.41 C ATOM 688 NZ LYS A 45 8.978 -2.137 -10.444 1.00 1.75 N ATOM 0 H LYS A 45 11.251 -0.152 -3.984 1.00 0.70 H new ATOM 0 HA LYS A 45 9.082 0.979 -5.657 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.842 -1.420 -5.804 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.152 -1.684 -6.185 1.00 0.78 H new ATOM 0 HG2 LYS A 45 10.335 0.696 -7.491 1.00 1.13 H new ATOM 0 HG3 LYS A 45 11.059 -0.827 -7.968 1.00 1.13 H new ATOM 0 HD2 LYS A 45 8.473 -1.571 -8.102 1.00 1.25 H new ATOM 0 HD3 LYS A 45 8.252 0.149 -8.354 1.00 1.25 H new ATOM 0 HE2 LYS A 45 8.951 -0.022 -10.483 1.00 1.41 H new ATOM 0 HE3 LYS A 45 10.474 -0.719 -9.967 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 9.615 -2.401 -11.222 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 9.025 -2.860 -9.698 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 8.004 -2.072 -10.801 1.00 1.75 H new ATOM 702 N PHE A 46 7.453 0.278 -3.905 1.00 0.46 N ATOM 703 CA PHE A 46 6.481 -0.123 -2.899 1.00 0.41 C ATOM 704 C PHE A 46 5.490 -1.127 -3.472 1.00 0.44 C ATOM 705 O PHE A 46 5.179 -1.096 -4.663 1.00 0.58 O ATOM 706 CB PHE A 46 5.735 1.099 -2.361 1.00 0.42 C ATOM 707 CG PHE A 46 6.555 1.935 -1.419 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.551 1.675 -0.058 1.00 0.41 C ATOM 709 CD2 PHE A 46 7.327 2.984 -1.895 1.00 0.45 C ATOM 710 CE1 PHE A 46 7.301 2.445 0.811 1.00 0.47 C ATOM 711 CE2 PHE A 46 8.078 3.757 -1.031 1.00 0.48 C ATOM 712 CZ PHE A 46 8.064 3.488 0.324 1.00 0.47 C ATOM 0 H PHE A 46 7.217 1.136 -4.404 1.00 0.46 H new ATOM 0 HA PHE A 46 7.020 -0.598 -2.079 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.416 1.718 -3.199 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.832 0.767 -1.848 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.955 0.861 0.328 1.00 0.41 H new ATOM 0 HD2 PHE A 46 7.341 3.199 -2.953 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.290 2.231 1.870 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.676 4.571 -1.414 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.649 4.092 1.001 1.00 0.47 H new ATOM 722 N PHE A 47 4.997 -2.011 -2.618 1.00 0.40 N ATOM 723 CA PHE A 47 4.028 -3.017 -3.031 1.00 0.44 C ATOM 724 C PHE A 47 2.672 -2.725 -2.420 1.00 0.39 C ATOM 725 O PHE A 47 2.563 -2.534 -1.210 1.00 0.59 O ATOM 726 CB PHE A 47 4.474 -4.414 -2.604 1.00 0.55 C ATOM 727 CG PHE A 47 5.780 -4.842 -3.196 1.00 0.53 C ATOM 728 CD1 PHE A 47 6.005 -4.743 -4.558 1.00 0.60 C ATOM 729 CD2 PHE A 47 6.784 -5.342 -2.386 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.209 -5.137 -5.103 1.00 0.68 C ATOM 731 CE2 PHE A 47 7.988 -5.737 -2.925 1.00 0.75 C ATOM 732 CZ PHE A 47 8.201 -5.634 -4.284 1.00 0.73 C ATOM 0 H PHE A 47 5.252 -2.053 -1.631 1.00 0.40 H new ATOM 0 HA PHE A 47 3.958 -2.982 -4.118 1.00 0.44 H new ATOM 0 HB2 PHE A 47 4.552 -4.443 -1.517 1.00 0.55 H new ATOM 0 HB3 PHE A 47 3.705 -5.133 -2.888 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.230 -4.353 -5.201 1.00 0.60 H new ATOM 0 HD2 PHE A 47 6.622 -5.423 -1.321 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.374 -5.057 -6.167 1.00 0.68 H new ATOM 0 HE2 PHE A 47 8.765 -6.127 -2.284 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.146 -5.943 -4.707 1.00 0.73 H new ATOM 742 N LEU A 48 1.650 -2.692 -3.253 1.00 0.33 N ATOM 743 CA LEU A 48 0.300 -2.418 -2.789 1.00 0.35 C ATOM 744 C LEU A 48 -0.656 -3.522 -3.219 1.00 0.35 C ATOM 745 O LEU A 48 -1.088 -3.554 -4.369 1.00 0.57 O ATOM 746 CB LEU A 48 -0.176 -1.069 -3.340 1.00 0.44 C ATOM 747 CG LEU A 48 -1.572 -0.633 -2.891 1.00 0.72 C ATOM 748 CD1 LEU A 48 -1.520 0.743 -2.253 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.539 -0.633 -4.067 1.00 1.05 C ATOM 0 H LEU A 48 1.727 -2.852 -4.257 1.00 0.33 H new ATOM 0 HA LEU A 48 0.311 -2.380 -1.700 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.539 -0.302 -3.043 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.161 -1.115 -4.429 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.930 -1.347 -2.149 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -2.522 1.037 -1.940 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.861 0.717 -1.385 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -1.139 1.465 -2.976 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.526 -0.320 -3.726 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.183 0.058 -4.831 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.601 -1.637 -4.487 1.00 1.05 H new ATOM 761 N ARG A 49 -1.044 -4.377 -2.279 1.00 0.26 N ATOM 762 CA ARG A 49 -2.061 -5.388 -2.552 1.00 0.27 C ATOM 763 C ARG A 49 -3.300 -5.094 -1.725 1.00 0.24 C ATOM 764 O ARG A 49 -3.200 -4.854 -0.525 1.00 0.30 O ATOM 765 CB ARG A 49 -1.561 -6.815 -2.270 1.00 0.34 C ATOM 766 CG ARG A 49 -0.529 -6.918 -1.156 1.00 0.44 C ATOM 767 CD ARG A 49 -0.038 -8.349 -0.989 1.00 0.75 C ATOM 768 NE ARG A 49 -0.176 -8.824 0.387 1.00 1.07 N ATOM 769 CZ ARG A 49 0.008 -10.092 0.766 1.00 1.28 C ATOM 770 NH1 ARG A 49 0.346 -11.019 -0.122 1.00 1.64 N ATOM 771 NH2 ARG A 49 -0.138 -10.431 2.040 1.00 2.02 N ATOM 0 H ARG A 49 -0.674 -4.391 -1.329 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.300 -5.340 -3.614 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.416 -7.441 -2.014 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.130 -7.222 -3.185 1.00 0.34 H new ATOM 0 HG2 ARG A 49 0.315 -6.265 -1.378 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -0.965 -6.569 -0.220 1.00 0.44 H new ATOM 0 HD2 ARG A 49 -0.599 -9.004 -1.655 1.00 0.75 H new ATOM 0 HD3 ARG A 49 1.008 -8.410 -1.289 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.429 -8.144 1.104 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.467 -10.766 -1.103 1.00 1.64 H new ATOM 0 HH12 ARG A 49 0.484 -11.985 0.176 1.00 1.64 H new ATOM 0 HH21 ARG A 49 -0.391 -9.724 2.730 1.00 2.02 H new ATOM 0 HH22 ARG A 49 0.002 -11.399 2.329 1.00 2.02 H new ATOM 785 N TYR A 50 -4.448 -5.031 -2.379 1.00 0.26 N ATOM 786 CA TYR A 50 -5.684 -4.658 -1.704 1.00 0.27 C ATOM 787 C TYR A 50 -6.702 -5.796 -1.738 1.00 0.28 C ATOM 788 O TYR A 50 -7.377 -6.021 -2.743 1.00 0.36 O ATOM 789 CB TYR A 50 -6.276 -3.376 -2.321 1.00 0.35 C ATOM 790 CG TYR A 50 -6.293 -3.348 -3.840 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.144 -3.065 -4.569 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.467 -3.593 -4.541 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.164 -3.036 -5.952 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.496 -3.565 -5.922 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.343 -3.286 -6.622 1.00 0.90 C ATOM 796 OH TYR A 50 -6.371 -3.260 -8.000 1.00 1.13 O ATOM 0 H TYR A 50 -4.552 -5.232 -3.374 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.445 -4.458 -0.659 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.296 -3.253 -1.958 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.705 -2.520 -1.962 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.220 -2.864 -4.047 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.374 -3.809 -3.996 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.261 -2.819 -6.504 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.418 -3.761 -6.450 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.278 -3.458 -8.313 1.00 1.13 H new ATOM 806 N ARG A 51 -6.769 -6.548 -0.650 1.00 0.29 N ATOM 807 CA ARG A 51 -7.688 -7.672 -0.543 1.00 0.34 C ATOM 808 C ARG A 51 -9.008 -7.253 0.102 1.00 0.29 C ATOM 809 O ARG A 51 -9.028 -6.800 1.244 1.00 0.33 O ATOM 810 CB ARG A 51 -7.045 -8.791 0.282 1.00 0.46 C ATOM 811 CG ARG A 51 -7.819 -10.100 0.280 1.00 0.64 C ATOM 812 CD ARG A 51 -8.241 -10.496 1.685 1.00 1.25 C ATOM 813 NE ARG A 51 -7.839 -11.862 2.014 1.00 1.72 N ATOM 814 CZ ARG A 51 -7.707 -12.328 3.256 1.00 2.29 C ATOM 815 NH1 ARG A 51 -7.914 -11.538 4.303 1.00 2.62 N ATOM 816 NH2 ARG A 51 -7.363 -13.591 3.442 1.00 3.10 N ATOM 0 H ARG A 51 -6.193 -6.399 0.178 1.00 0.29 H new ATOM 0 HA ARG A 51 -7.900 -8.030 -1.550 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.041 -8.976 -0.100 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -6.936 -8.450 1.311 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -8.701 -10.002 -0.353 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.203 -10.888 -0.152 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -7.800 -9.805 2.404 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -9.323 -10.405 1.778 1.00 1.25 H new ATOM 0 HE ARG A 51 -7.647 -12.501 1.242 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -8.177 -10.563 4.162 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -7.810 -11.906 5.248 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -7.201 -14.199 2.639 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -7.259 -13.957 4.388 1.00 3.10 H new ATOM 830 N PRO A 52 -10.139 -7.479 -0.576 1.00 0.32 N ATOM 831 CA PRO A 52 -11.454 -7.274 0.029 1.00 0.38 C ATOM 832 C PRO A 52 -11.666 -8.255 1.181 1.00 0.44 C ATOM 833 O PRO A 52 -11.297 -9.422 1.075 1.00 0.51 O ATOM 834 CB PRO A 52 -12.430 -7.567 -1.114 1.00 0.52 C ATOM 835 CG PRO A 52 -11.671 -8.435 -2.058 1.00 0.65 C ATOM 836 CD PRO A 52 -10.228 -8.033 -1.937 1.00 0.45 C ATOM 0 HA PRO A 52 -11.581 -6.275 0.446 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.325 -8.070 -0.749 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -12.756 -6.647 -1.599 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -11.803 -9.488 -1.809 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.027 -8.302 -3.080 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -9.561 -8.885 -2.068 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -9.952 -7.294 -2.690 1.00 0.45 H new ATOM 844 N LEU A 53 -12.153 -7.768 2.313 1.00 0.50 N ATOM 845 CA LEU A 53 -12.275 -8.602 3.512 1.00 0.65 C ATOM 846 C LEU A 53 -13.195 -9.805 3.283 1.00 0.81 C ATOM 847 O LEU A 53 -13.176 -10.769 4.052 1.00 1.22 O ATOM 848 CB LEU A 53 -12.788 -7.767 4.687 1.00 0.70 C ATOM 849 CG LEU A 53 -11.795 -7.581 5.840 1.00 0.82 C ATOM 850 CD1 LEU A 53 -10.523 -6.903 5.354 1.00 1.32 C ATOM 851 CD2 LEU A 53 -12.426 -6.774 6.966 1.00 1.40 C ATOM 0 H LEU A 53 -12.470 -6.806 2.432 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.282 -8.986 3.745 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.076 -6.784 4.315 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -13.691 -8.236 5.078 1.00 0.70 H new ATOM 0 HG LEU A 53 -11.534 -8.567 6.223 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -9.833 -6.782 6.189 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -10.055 -7.516 4.584 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -10.767 -5.925 4.940 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -11.705 -6.653 7.775 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -12.719 -5.793 6.591 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -13.306 -7.297 7.340 1.00 1.40 H new ATOM 863 N ILE A 54 -14.005 -9.744 2.232 1.00 0.85 N ATOM 864 CA ILE A 54 -14.943 -10.819 1.924 1.00 1.01 C ATOM 865 C ILE A 54 -14.403 -11.757 0.850 1.00 1.08 C ATOM 866 O ILE A 54 -15.004 -12.792 0.570 1.00 1.34 O ATOM 867 CB ILE A 54 -16.299 -10.268 1.439 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.082 -9.067 0.515 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.177 -9.895 2.622 1.00 1.27 C ATOM 870 CD1 ILE A 54 -17.261 -8.769 -0.386 1.00 1.46 C ATOM 0 H ILE A 54 -14.032 -8.962 1.578 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.078 -11.370 2.855 1.00 1.01 H new ATOM 0 HB ILE A 54 -16.812 -11.046 0.873 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -15.869 -8.187 1.122 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.202 -9.249 -0.102 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.130 -9.508 2.260 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.354 -10.778 3.237 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.678 -9.131 3.219 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -17.032 -7.906 -1.011 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -17.462 -9.633 -1.020 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.139 -8.554 0.223 1.00 1.46 H new ATOM 882 N LEU A 55 -13.316 -11.370 0.199 1.00 0.95 N ATOM 883 CA LEU A 55 -12.785 -12.163 -0.899 1.00 1.10 C ATOM 884 C LEU A 55 -11.275 -12.295 -0.807 1.00 1.12 C ATOM 885 O LEU A 55 -10.552 -11.303 -0.764 1.00 1.51 O ATOM 886 CB LEU A 55 -13.169 -11.544 -2.240 1.00 1.25 C ATOM 887 CG LEU A 55 -14.307 -12.253 -2.972 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.520 -11.341 -3.065 1.00 1.69 C ATOM 889 CD2 LEU A 55 -13.852 -12.690 -4.357 1.00 2.11 C ATOM 0 H LEU A 55 -12.790 -10.522 0.409 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.221 -13.159 -0.826 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -13.454 -10.505 -2.076 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.290 -11.536 -2.885 1.00 1.25 H new ATOM 0 HG LEU A 55 -14.589 -13.143 -2.409 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -16.324 -11.858 -3.589 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -15.853 -11.075 -2.062 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -15.254 -10.436 -3.611 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -14.673 -13.194 -4.867 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -13.549 -11.816 -4.933 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -13.008 -13.374 -4.264 1.00 2.11 H new ATOM 901 N ASP A 56 -10.812 -13.529 -0.838 1.00 1.38 N ATOM 902 CA ASP A 56 -9.388 -13.824 -0.794 1.00 1.54 C ATOM 903 C ASP A 56 -8.753 -13.581 -2.156 1.00 1.19 C ATOM 904 O ASP A 56 -8.446 -14.517 -2.895 1.00 1.44 O ATOM 905 CB ASP A 56 -9.166 -15.270 -0.361 1.00 2.08 C ATOM 906 CG ASP A 56 -8.018 -15.419 0.611 1.00 2.58 C ATOM 907 OD1 ASP A 56 -7.284 -14.437 0.837 1.00 2.90 O ATOM 908 OD2 ASP A 56 -7.848 -16.525 1.164 1.00 2.89 O ATOM 0 H ASP A 56 -11.408 -14.355 -0.894 1.00 1.38 H new ATOM 0 HA ASP A 56 -8.917 -13.161 -0.068 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -10.078 -15.651 0.099 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -8.973 -15.883 -1.241 1.00 2.08 H new ATOM 913 N GLN A 57 -8.657 -12.316 -2.521 1.00 0.83 N ATOM 914 CA GLN A 57 -8.147 -11.925 -3.823 1.00 0.93 C ATOM 915 C GLN A 57 -7.033 -10.902 -3.668 1.00 0.79 C ATOM 916 O GLN A 57 -7.285 -9.743 -3.337 1.00 0.82 O ATOM 917 CB GLN A 57 -9.275 -11.344 -4.676 1.00 1.30 C ATOM 918 CG GLN A 57 -10.116 -12.396 -5.377 1.00 1.81 C ATOM 919 CD GLN A 57 -9.682 -12.618 -6.810 1.00 2.19 C ATOM 920 OE1 GLN A 57 -8.839 -13.468 -7.093 1.00 2.89 O ATOM 921 NE2 GLN A 57 -10.245 -11.843 -7.721 1.00 2.43 N ATOM 0 H GLN A 57 -8.929 -11.533 -1.926 1.00 0.83 H new ATOM 0 HA GLN A 57 -7.745 -12.808 -4.320 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -9.922 -10.738 -4.042 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -8.846 -10.677 -5.424 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -10.048 -13.336 -4.830 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -11.163 -12.092 -5.360 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -10.940 -11.151 -7.442 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -9.984 -11.937 -8.703 1.00 2.43 H new ATOM 930 N TRP A 58 -5.804 -11.344 -3.854 1.00 0.73 N ATOM 931 CA TRP A 58 -4.658 -10.479 -3.721 1.00 0.63 C ATOM 932 C TRP A 58 -4.307 -9.838 -5.053 1.00 0.67 C ATOM 933 O TRP A 58 -4.306 -10.497 -6.095 1.00 0.76 O ATOM 934 CB TRP A 58 -3.471 -11.259 -3.167 1.00 0.71 C ATOM 935 CG TRP A 58 -3.428 -11.236 -1.676 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.256 -12.291 -0.830 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.579 -10.082 -0.857 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.279 -11.852 0.474 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.473 -10.494 0.480 1.00 0.67 C ATOM 940 CE3 TRP A 58 -3.788 -8.736 -1.135 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.568 -9.594 1.539 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -3.879 -7.849 -0.092 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.769 -8.275 1.227 1.00 0.49 C ATOM 0 H TRP A 58 -5.577 -12.308 -4.100 1.00 0.73 H new ATOM 0 HA TRP A 58 -4.906 -9.682 -3.021 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -3.525 -12.292 -3.511 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.546 -10.839 -3.562 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.122 -13.318 -1.137 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -3.170 -12.440 1.300 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -3.877 -8.394 -2.156 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.487 -9.923 2.565 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.039 -6.801 -0.299 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.844 -7.550 2.024 1.00 0.49 H new ATOM 954 N GLN A 59 -4.039 -8.545 -5.015 1.00 0.70 N ATOM 955 CA GLN A 59 -3.698 -7.793 -6.215 1.00 0.79 C ATOM 956 C GLN A 59 -2.694 -6.713 -5.862 1.00 0.95 C ATOM 957 O GLN A 59 -3.049 -5.717 -5.237 1.00 1.64 O ATOM 958 CB GLN A 59 -4.954 -7.166 -6.831 1.00 1.06 C ATOM 959 CG GLN A 59 -4.715 -6.505 -8.181 1.00 1.36 C ATOM 960 CD GLN A 59 -4.069 -7.441 -9.185 1.00 1.68 C ATOM 961 OE1 GLN A 59 -2.859 -7.397 -9.402 1.00 2.39 O ATOM 962 NE2 GLN A 59 -4.871 -8.293 -9.802 1.00 2.14 N ATOM 0 H GLN A 59 -4.051 -7.988 -4.160 1.00 0.70 H new ATOM 0 HA GLN A 59 -3.260 -8.470 -6.948 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -5.715 -7.938 -6.945 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -5.354 -6.424 -6.140 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -5.665 -6.150 -8.580 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -4.079 -5.630 -8.045 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -5.869 -8.297 -9.593 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -4.491 -8.946 -10.487 1.00 2.14 H new ATOM 971 N HIS A 60 -1.429 -6.968 -6.169 1.00 0.80 N ATOM 972 CA HIS A 60 -0.356 -6.063 -5.780 1.00 1.11 C ATOM 973 C HIS A 60 0.239 -5.339 -6.981 1.00 0.88 C ATOM 974 O HIS A 60 0.561 -5.952 -7.998 1.00 1.12 O ATOM 975 CB HIS A 60 0.750 -6.814 -5.012 1.00 1.75 C ATOM 976 CG HIS A 60 1.465 -7.875 -5.801 1.00 1.87 C ATOM 977 ND1 HIS A 60 0.996 -9.162 -5.935 1.00 2.49 N ATOM 978 CD2 HIS A 60 2.638 -7.834 -6.482 1.00 2.11 C ATOM 979 CE1 HIS A 60 1.842 -9.866 -6.662 1.00 2.81 C ATOM 980 NE2 HIS A 60 2.847 -9.084 -7.006 1.00 2.58 N ATOM 0 H HIS A 60 -1.121 -7.792 -6.685 1.00 0.80 H new ATOM 0 HA HIS A 60 -0.795 -5.314 -5.121 1.00 1.11 H new ATOM 0 HB2 HIS A 60 1.483 -6.088 -4.660 1.00 1.75 H new ATOM 0 HB3 HIS A 60 0.309 -7.275 -4.129 1.00 1.75 H new ATOM 0 HD2 HIS A 60 3.286 -6.977 -6.591 1.00 2.11 H new ATOM 0 HE1 HIS A 60 1.731 -10.906 -6.930 1.00 2.81 H new ATOM 0 HE2 HIS A 60 3.649 -9.364 -7.570 1.00 2.58 H new ATOM 989 N VAL A 61 0.445 -4.043 -6.822 1.00 0.60 N ATOM 990 CA VAL A 61 1.098 -3.234 -7.839 1.00 0.59 C ATOM 991 C VAL A 61 2.445 -2.739 -7.328 1.00 0.51 C ATOM 992 O VAL A 61 2.642 -2.601 -6.118 1.00 0.55 O ATOM 993 CB VAL A 61 0.238 -2.022 -8.259 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.696 -2.397 -9.395 1.00 1.32 C ATOM 995 CG2 VAL A 61 -0.547 -1.473 -7.077 1.00 1.48 C ATOM 0 H VAL A 61 0.167 -3.523 -5.990 1.00 0.60 H new ATOM 0 HA VAL A 61 1.238 -3.869 -8.714 1.00 0.59 H new ATOM 0 HB VAL A 61 0.909 -1.238 -8.610 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -1.293 -1.530 -9.676 1.00 1.32 H new ATOM 0 HG12 VAL A 61 -0.111 -2.728 -10.253 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -1.356 -3.203 -9.073 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -1.144 -0.620 -7.401 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -1.205 -2.249 -6.685 1.00 1.48 H new ATOM 0 HG23 VAL A 61 0.145 -1.156 -6.296 1.00 1.48 H new ATOM 1005 N GLU A 62 3.366 -2.491 -8.246 1.00 0.81 N ATOM 1006 CA GLU A 62 4.694 -2.007 -7.894 1.00 1.05 C ATOM 1007 C GLU A 62 4.783 -0.505 -8.128 1.00 0.71 C ATOM 1008 O GLU A 62 4.552 -0.027 -9.241 1.00 0.80 O ATOM 1009 CB GLU A 62 5.757 -2.721 -8.724 1.00 1.61 C ATOM 1010 CG GLU A 62 6.057 -4.134 -8.255 1.00 2.42 C ATOM 1011 CD GLU A 62 7.335 -4.675 -8.855 1.00 3.17 C ATOM 1012 OE1 GLU A 62 8.405 -4.066 -8.643 1.00 3.63 O ATOM 1013 OE2 GLU A 62 7.277 -5.703 -9.559 1.00 3.60 O ATOM 0 H GLU A 62 3.218 -2.618 -9.247 1.00 0.81 H new ATOM 0 HA GLU A 62 4.870 -2.216 -6.839 1.00 1.05 H new ATOM 0 HB2 GLU A 62 5.430 -2.755 -9.763 1.00 1.61 H new ATOM 0 HB3 GLU A 62 6.677 -2.137 -8.698 1.00 1.61 H new ATOM 0 HG2 GLU A 62 6.135 -4.145 -7.168 1.00 2.42 H new ATOM 0 HG3 GLU A 62 5.227 -4.788 -8.522 1.00 2.42 H new ATOM 1020 N LEU A 63 5.035 0.240 -7.068 1.00 0.61 N ATOM 1021 CA LEU A 63 5.057 1.691 -7.151 1.00 0.71 C ATOM 1022 C LEU A 63 6.440 2.244 -6.829 1.00 0.75 C ATOM 1023 O LEU A 63 6.792 2.430 -5.661 1.00 0.94 O ATOM 1024 CB LEU A 63 4.019 2.292 -6.199 1.00 0.97 C ATOM 1025 CG LEU A 63 2.751 1.459 -6.008 1.00 0.92 C ATOM 1026 CD1 LEU A 63 1.971 1.949 -4.799 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.885 1.513 -7.256 1.00 1.18 C ATOM 0 H LEU A 63 5.227 -0.134 -6.139 1.00 0.61 H new ATOM 0 HA LEU A 63 4.810 1.970 -8.175 1.00 0.71 H new ATOM 0 HB2 LEU A 63 4.486 2.442 -5.226 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.735 3.276 -6.571 1.00 0.97 H new ATOM 0 HG LEU A 63 3.042 0.423 -5.835 1.00 0.92 H new ATOM 0 HD11 LEU A 63 1.072 1.345 -4.677 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.590 1.861 -3.906 1.00 1.33 H new ATOM 0 HD13 LEU A 63 1.691 2.992 -4.945 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.987 0.915 -7.102 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.602 2.546 -7.458 1.00 1.18 H new ATOM 0 HD23 LEU A 63 2.444 1.117 -8.104 1.00 1.18 H new ATOM 1039 N SER A 64 7.193 2.572 -7.868 1.00 0.78 N ATOM 1040 CA SER A 64 8.490 3.207 -7.705 1.00 0.89 C ATOM 1041 C SER A 64 8.305 4.627 -7.185 1.00 0.82 C ATOM 1042 O SER A 64 7.681 5.455 -7.850 1.00 1.57 O ATOM 1043 CB SER A 64 9.225 3.221 -9.045 1.00 1.13 C ATOM 1044 OG SER A 64 8.575 2.370 -9.982 1.00 1.36 O ATOM 0 H SER A 64 6.925 2.407 -8.838 1.00 0.78 H new ATOM 0 HA SER A 64 9.084 2.645 -6.984 1.00 0.89 H new ATOM 0 HB2 SER A 64 9.263 4.238 -9.435 1.00 1.13 H new ATOM 0 HB3 SER A 64 10.256 2.895 -8.904 1.00 1.13 H new ATOM 0 HG SER A 64 9.058 2.393 -10.834 1.00 1.36 H new ATOM 1050 N ASN A 65 8.730 4.856 -5.942 1.00 1.03 N ATOM 1051 CA ASN A 65 8.544 6.146 -5.267 1.00 0.94 C ATOM 1052 C ASN A 65 7.068 6.406 -4.972 1.00 0.82 C ATOM 1053 O ASN A 65 6.678 7.517 -4.602 1.00 1.16 O ATOM 1054 CB ASN A 65 9.119 7.292 -6.106 1.00 1.03 C ATOM 1055 CG ASN A 65 10.455 7.774 -5.590 1.00 1.41 C ATOM 1056 OD1 ASN A 65 10.522 8.634 -4.710 1.00 2.04 O ATOM 1057 ND2 ASN A 65 11.529 7.223 -6.128 1.00 1.97 N ATOM 0 H ASN A 65 9.211 4.158 -5.375 1.00 1.03 H new ATOM 0 HA ASN A 65 9.083 6.100 -4.321 1.00 0.94 H new ATOM 0 HB2 ASN A 65 9.230 6.962 -7.139 1.00 1.03 H new ATOM 0 HB3 ASN A 65 8.414 8.123 -6.111 1.00 1.03 H new ATOM 0 HD21 ASN A 65 12.458 7.507 -5.817 1.00 1.97 H new ATOM 0 HD22 ASN A 65 11.429 6.514 -6.854 1.00 1.97 H new ATOM 1064 N GLY A 66 6.256 5.365 -5.108 1.00 0.69 N ATOM 1065 CA GLY A 66 4.839 5.487 -4.842 1.00 0.66 C ATOM 1066 C GLY A 66 4.553 5.599 -3.363 1.00 0.61 C ATOM 1067 O GLY A 66 4.912 4.716 -2.590 1.00 0.87 O ATOM 0 H GLY A 66 6.557 4.435 -5.399 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.447 6.365 -5.355 1.00 0.66 H new ATOM 0 HA3 GLY A 66 4.317 4.621 -5.248 1.00 0.66 H new ATOM 1071 N THR A 67 3.978 6.719 -2.957 1.00 0.40 N ATOM 1072 CA THR A 67 3.711 6.966 -1.550 1.00 0.41 C ATOM 1073 C THR A 67 2.317 7.548 -1.348 1.00 0.36 C ATOM 1074 O THR A 67 1.876 7.758 -0.216 1.00 0.39 O ATOM 1075 CB THR A 67 4.762 7.923 -0.959 1.00 0.57 C ATOM 1076 OG1 THR A 67 5.435 8.624 -2.019 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.779 7.155 -0.130 1.00 0.70 C ATOM 0 H THR A 67 3.687 7.471 -3.582 1.00 0.40 H new ATOM 0 HA THR A 67 3.766 6.009 -1.031 1.00 0.41 H new ATOM 0 HB THR A 67 4.253 8.639 -0.314 1.00 0.57 H new ATOM 0 HG1 THR A 67 6.101 9.233 -1.637 1.00 0.63 H new ATOM 0 HG21 THR A 67 6.513 7.849 0.279 1.00 0.70 H new ATOM 0 HG22 THR A 67 5.270 6.642 0.686 1.00 0.70 H new ATOM 0 HG23 THR A 67 6.284 6.423 -0.760 1.00 0.70 H new ATOM 1085 N ALA A 68 1.620 7.793 -2.448 1.00 0.44 N ATOM 1086 CA ALA A 68 0.273 8.339 -2.391 1.00 0.47 C ATOM 1087 C ALA A 68 -0.617 7.676 -3.433 1.00 0.47 C ATOM 1088 O ALA A 68 -0.905 8.249 -4.482 1.00 0.55 O ATOM 1089 CB ALA A 68 0.301 9.849 -2.587 1.00 0.59 C ATOM 0 H ALA A 68 1.966 7.622 -3.392 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.143 8.130 -1.405 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -0.715 10.241 -2.541 1.00 0.59 H new ATOM 0 HB2 ALA A 68 0.902 10.307 -1.801 1.00 0.59 H new ATOM 0 HB3 ALA A 68 0.736 10.082 -3.559 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.041 6.460 -3.140 1.00 0.43 N ATOM 1096 CA HIS A 69 -1.919 5.725 -4.035 1.00 0.45 C ATOM 1097 C HIS A 69 -3.381 5.975 -3.679 1.00 0.40 C ATOM 1098 O HIS A 69 -3.689 6.600 -2.666 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.608 4.226 -3.973 1.00 0.52 C ATOM 1100 CG HIS A 69 -1.667 3.540 -5.304 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -0.860 3.886 -6.367 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -2.448 2.523 -5.746 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -1.141 3.115 -7.402 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -2.098 2.280 -7.049 1.00 0.75 N ATOM 0 H HIS A 69 -0.791 5.959 -2.287 1.00 0.43 H new ATOM 0 HA HIS A 69 -1.746 6.078 -5.052 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.614 4.088 -3.547 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.314 3.746 -3.296 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.204 2.002 -5.178 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -0.668 3.161 -8.372 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -2.512 1.567 -7.649 1.00 0.75 H new ATOM 1113 N THR A 70 -4.269 5.445 -4.496 1.00 0.41 N ATOM 1114 CA THR A 70 -5.696 5.541 -4.260 1.00 0.44 C ATOM 1115 C THR A 70 -6.415 4.509 -5.117 1.00 0.47 C ATOM 1116 O THR A 70 -5.958 4.172 -6.212 1.00 0.72 O ATOM 1117 CB THR A 70 -6.236 6.964 -4.550 1.00 0.60 C ATOM 1118 OG1 THR A 70 -7.542 7.123 -3.980 1.00 0.94 O ATOM 1119 CG2 THR A 70 -6.286 7.251 -6.048 1.00 0.84 C ATOM 0 H THR A 70 -4.021 4.935 -5.344 1.00 0.41 H new ATOM 0 HA THR A 70 -5.885 5.340 -3.205 1.00 0.44 H new ATOM 0 HB THR A 70 -5.551 7.678 -4.093 1.00 0.60 H new ATOM 0 HG1 THR A 70 -7.568 7.944 -3.445 1.00 0.94 H new ATOM 0 HG21 THR A 70 -6.670 8.258 -6.213 1.00 0.84 H new ATOM 0 HG22 THR A 70 -5.283 7.172 -6.467 1.00 0.84 H new ATOM 0 HG23 THR A 70 -6.941 6.529 -6.535 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.450 3.903 -4.562 1.00 0.36 N ATOM 1128 CA ILE A 71 -8.158 2.838 -5.252 1.00 0.44 C ATOM 1129 C ILE A 71 -9.661 3.038 -5.163 1.00 0.34 C ATOM 1130 O ILE A 71 -10.219 3.108 -4.071 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.806 1.440 -4.694 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -7.358 1.531 -3.234 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.729 0.785 -5.544 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -7.848 0.381 -2.378 1.00 0.70 C ATOM 0 H ILE A 71 -7.818 4.129 -3.638 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.838 2.884 -6.293 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.703 0.822 -4.734 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -6.269 1.562 -3.198 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -7.718 2.468 -2.810 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -6.493 -0.198 -5.138 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -7.088 0.678 -6.568 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -5.833 1.405 -5.537 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -7.493 0.511 -1.356 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -8.938 0.362 -2.384 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -7.466 -0.559 -2.778 1.00 0.70 H new ATOM 1146 N THR A 72 -10.314 3.014 -6.313 1.00 0.37 N ATOM 1147 CA THR A 72 -11.766 3.085 -6.382 1.00 0.33 C ATOM 1148 C THR A 72 -12.349 1.676 -6.438 1.00 0.31 C ATOM 1149 O THR A 72 -13.454 1.449 -6.932 1.00 0.33 O ATOM 1150 CB THR A 72 -12.224 3.886 -7.616 1.00 0.43 C ATOM 1151 OG1 THR A 72 -11.167 4.752 -8.058 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.461 4.710 -7.298 1.00 1.22 C ATOM 0 H THR A 72 -9.856 2.945 -7.222 1.00 0.37 H new ATOM 0 HA THR A 72 -12.126 3.596 -5.489 1.00 0.33 H new ATOM 0 HB THR A 72 -12.472 3.180 -8.409 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.465 5.257 -8.844 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.765 5.267 -8.184 1.00 1.22 H new ATOM 0 HG22 THR A 72 -14.270 4.048 -6.990 1.00 1.22 H new ATOM 0 HG23 THR A 72 -13.236 5.407 -6.491 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.564 0.731 -5.953 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.955 -0.670 -5.913 1.00 0.40 C ATOM 1162 C ASP A 73 -12.534 -1.020 -4.555 1.00 0.39 C ATOM 1163 O ASP A 73 -13.076 -2.104 -4.354 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.746 -1.560 -6.201 1.00 0.52 C ATOM 1165 CG ASP A 73 -11.129 -2.859 -6.875 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.204 -2.884 -8.121 1.00 1.21 O ATOM 1167 OD2 ASP A 73 -11.323 -3.869 -6.170 1.00 1.31 O ATOM 0 H ASP A 73 -10.634 0.912 -5.574 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.716 -0.838 -6.675 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -10.044 -1.019 -6.835 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -10.229 -1.778 -5.267 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.280 -0.140 -3.598 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.599 -0.396 -2.206 1.00 0.33 C ATOM 1174 C ALA A 74 -14.097 -0.459 -1.972 1.00 0.35 C ATOM 1175 O ALA A 74 -14.850 0.387 -2.442 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.963 0.664 -1.328 1.00 0.36 C ATOM 0 H ALA A 74 -11.848 0.769 -3.766 1.00 0.31 H new ATOM 0 HA ALA A 74 -12.192 -1.372 -1.941 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.206 0.466 -0.284 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.881 0.643 -1.459 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.344 1.646 -1.609 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.516 -1.444 -1.207 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.919 -1.604 -0.887 1.00 0.52 C ATOM 1184 C TYR A 75 -16.278 -0.790 0.344 1.00 0.46 C ATOM 1185 O TYR A 75 -15.575 -0.827 1.348 1.00 0.55 O ATOM 1186 CB TYR A 75 -16.245 -3.080 -0.654 1.00 0.71 C ATOM 1187 CG TYR A 75 -17.440 -3.569 -1.438 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -17.460 -3.500 -2.824 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -18.550 -4.102 -0.791 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -18.550 -3.946 -3.544 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -19.644 -4.549 -1.505 1.00 2.26 C ATOM 1192 CZ TYR A 75 -19.639 -4.469 -2.882 1.00 2.21 C ATOM 1193 OH TYR A 75 -20.729 -4.908 -3.601 1.00 2.86 O ATOM 0 H TYR A 75 -13.904 -2.148 -0.794 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.509 -1.242 -1.729 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -15.376 -3.681 -0.921 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -16.429 -3.239 0.409 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -16.609 -3.091 -3.348 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -18.556 -4.167 0.287 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -18.549 -3.885 -4.622 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -20.499 -4.959 -0.988 1.00 2.26 H new ATOM 0 HH TYR A 75 -21.411 -5.249 -2.985 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.391 -0.082 0.276 1.00 0.49 N ATOM 1204 CA ALA A 76 -17.876 0.683 1.412 1.00 0.57 C ATOM 1205 C ALA A 76 -18.659 -0.229 2.347 1.00 0.50 C ATOM 1206 O ALA A 76 -18.891 0.092 3.512 1.00 0.63 O ATOM 1207 CB ALA A 76 -18.747 1.834 0.937 1.00 0.74 C ATOM 0 H ALA A 76 -17.978 -0.020 -0.556 1.00 0.49 H new ATOM 0 HA ALA A 76 -17.026 1.098 1.954 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -19.104 2.399 1.798 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -18.164 2.489 0.290 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -19.599 1.441 0.382 1.00 0.74 H new ATOM 1213 N GLY A 77 -19.046 -1.382 1.816 1.00 0.48 N ATOM 1214 CA GLY A 77 -19.793 -2.355 2.586 1.00 0.55 C ATOM 1215 C GLY A 77 -18.893 -3.345 3.297 1.00 0.48 C ATOM 1216 O GLY A 77 -19.332 -4.046 4.207 1.00 0.58 O ATOM 0 H GLY A 77 -18.852 -1.662 0.854 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -20.410 -1.837 3.320 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -20.471 -2.895 1.924 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.623 -3.375 2.909 1.00 0.44 N ATOM 1221 CA LYS A 78 -16.652 -4.251 3.548 1.00 0.49 C ATOM 1222 C LYS A 78 -15.240 -3.726 3.348 1.00 0.43 C ATOM 1223 O LYS A 78 -14.864 -3.349 2.241 1.00 0.61 O ATOM 1224 CB LYS A 78 -16.758 -5.679 3.011 1.00 0.70 C ATOM 1225 CG LYS A 78 -16.203 -6.724 3.966 1.00 0.98 C ATOM 1226 CD LYS A 78 -17.274 -7.251 4.909 1.00 1.62 C ATOM 1227 CE LYS A 78 -17.509 -6.313 6.082 1.00 1.93 C ATOM 1228 NZ LYS A 78 -16.424 -6.399 7.098 1.00 2.32 N ATOM 0 H LYS A 78 -17.243 -2.802 2.155 1.00 0.44 H new ATOM 0 HA LYS A 78 -16.875 -4.267 4.615 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.804 -5.905 2.804 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -16.224 -5.744 2.063 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -15.782 -7.552 3.395 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -15.389 -6.290 4.546 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -18.206 -7.386 4.360 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -16.978 -8.232 5.282 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -17.582 -5.289 5.717 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -18.463 -6.553 6.551 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -16.819 -6.220 8.043 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -16.000 -7.348 7.074 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -15.694 -5.689 6.888 1.00 2.32 H new ATOM 1242 N GLU A 79 -14.501 -3.647 4.445 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.161 -3.082 4.453 1.00 0.43 C ATOM 1244 C GLU A 79 -12.242 -3.738 3.428 1.00 0.37 C ATOM 1245 O GLU A 79 -12.321 -4.943 3.168 1.00 0.39 O ATOM 1246 CB GLU A 79 -12.543 -3.218 5.845 1.00 0.59 C ATOM 1247 CG GLU A 79 -13.335 -2.515 6.933 1.00 1.13 C ATOM 1248 CD GLU A 79 -14.276 -3.446 7.669 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -15.150 -4.062 7.018 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -14.158 -3.554 8.905 1.00 2.05 O ATOM 0 H GLU A 79 -14.816 -3.975 5.358 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.260 -2.031 4.183 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -12.459 -4.276 6.094 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -11.531 -2.814 5.825 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -12.644 -2.066 7.646 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -13.909 -1.701 6.490 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.308 -2.949 2.936 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.275 -3.435 2.046 1.00 0.38 C ATOM 1259 C TYR A 80 -8.946 -3.424 2.779 1.00 0.41 C ATOM 1260 O TYR A 80 -8.521 -2.379 3.278 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.188 -2.551 0.801 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.707 -3.206 -0.456 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.033 -3.604 -0.559 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -9.871 -3.419 -1.543 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.511 -4.197 -1.712 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.342 -4.009 -2.700 1.00 0.64 C ATOM 1267 CZ TYR A 80 -11.661 -4.398 -2.778 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.133 -4.985 -3.928 1.00 0.85 O ATOM 0 H TYR A 80 -11.245 -1.952 3.143 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.516 -4.451 1.733 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.750 -1.634 0.979 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.149 -2.262 0.645 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.701 -3.448 0.275 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -8.835 -3.119 -1.483 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.545 -4.501 -1.777 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -9.680 -4.164 -3.539 1.00 0.64 H new ATOM 0 HH TYR A 80 -11.619 -4.659 -4.696 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.306 -4.577 2.883 1.00 0.31 N ATOM 1279 CA ILE A 81 -7.029 -4.656 3.566 1.00 0.33 C ATOM 1280 C ILE A 81 -5.885 -4.503 2.568 1.00 0.29 C ATOM 1281 O ILE A 81 -5.622 -5.384 1.744 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.871 -5.960 4.392 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.463 -6.045 4.986 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.177 -7.197 3.559 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.226 -7.294 5.807 1.00 1.11 C ATOM 0 H ILE A 81 -8.647 -5.462 2.507 1.00 0.31 H new ATOM 0 HA ILE A 81 -6.994 -3.832 4.278 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.597 -5.927 5.205 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -4.734 -6.008 4.177 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -5.289 -5.170 5.612 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -7.055 -8.089 4.174 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.203 -7.145 3.194 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.493 -7.244 2.712 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.208 -7.286 6.196 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.931 -7.323 6.637 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.368 -8.174 5.180 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.285 -3.329 2.579 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.220 -2.998 1.657 1.00 0.30 C ATOM 1299 C ILE A 82 -2.869 -3.193 2.328 1.00 0.32 C ATOM 1300 O ILE A 82 -2.433 -2.368 3.130 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.347 -1.547 1.162 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.766 -1.277 0.659 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.335 -1.268 0.066 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.273 0.101 1.011 1.00 0.64 C ATOM 0 H ILE A 82 -5.523 -2.579 3.228 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.299 -3.664 0.798 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.142 -0.879 1.998 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -5.789 -1.399 -0.424 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.441 -2.023 1.079 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.440 -0.237 -0.272 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.328 -1.423 0.453 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -3.510 -1.944 -0.771 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -7.284 0.226 0.625 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.281 0.220 2.094 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.620 0.853 0.568 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.226 -4.307 2.027 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.935 -4.614 2.613 1.00 0.34 C ATOM 1318 C GLN A 83 0.188 -4.028 1.767 1.00 0.29 C ATOM 1319 O GLN A 83 0.277 -4.286 0.564 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.746 -6.121 2.768 1.00 0.44 C ATOM 1321 CG GLN A 83 0.426 -6.476 3.665 1.00 0.60 C ATOM 1322 CD GLN A 83 0.143 -7.662 4.566 1.00 0.71 C ATOM 1323 OE1 GLN A 83 -0.450 -8.654 4.139 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.574 -7.570 5.814 1.00 0.64 N ATOM 0 H GLN A 83 -2.577 -5.013 1.380 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.902 -4.162 3.604 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.657 -6.557 3.178 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.594 -6.567 1.785 1.00 0.44 H new ATOM 0 HG2 GLN A 83 1.296 -6.696 3.047 1.00 0.60 H new ATOM 0 HG3 GLN A 83 0.681 -5.612 4.279 1.00 0.60 H new ATOM 0 HE21 GLN A 83 1.061 -6.729 6.125 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.419 -8.340 6.465 1.00 0.64 H new ATOM 1333 N VAL A 84 1.002 -3.202 2.402 1.00 0.28 N ATOM 1334 CA VAL A 84 2.094 -2.520 1.732 1.00 0.28 C ATOM 1335 C VAL A 84 3.442 -3.091 2.174 1.00 0.28 C ATOM 1336 O VAL A 84 3.678 -3.299 3.367 1.00 0.32 O ATOM 1337 CB VAL A 84 2.055 -1.000 2.022 1.00 0.35 C ATOM 1338 CG1 VAL A 84 3.165 -0.265 1.284 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.698 -0.420 1.652 1.00 0.51 C ATOM 0 H VAL A 84 0.924 -2.986 3.396 1.00 0.28 H new ATOM 0 HA VAL A 84 1.975 -2.678 0.660 1.00 0.28 H new ATOM 0 HB VAL A 84 2.216 -0.862 3.091 1.00 0.35 H new ATOM 0 HG11 VAL A 84 3.109 0.800 1.510 1.00 0.36 H new ATOM 0 HG12 VAL A 84 4.133 -0.653 1.603 1.00 0.36 H new ATOM 0 HG13 VAL A 84 3.050 -0.415 0.211 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.690 0.649 1.863 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.510 -0.582 0.591 1.00 0.51 H new ATOM 0 HG23 VAL A 84 -0.079 -0.911 2.237 1.00 0.51 H new ATOM 1349 N ALA A 85 4.322 -3.318 1.209 1.00 0.31 N ATOM 1350 CA ALA A 85 5.667 -3.812 1.483 1.00 0.36 C ATOM 1351 C ALA A 85 6.692 -2.966 0.737 1.00 0.30 C ATOM 1352 O ALA A 85 6.320 -2.038 0.015 1.00 0.37 O ATOM 1353 CB ALA A 85 5.790 -5.276 1.090 1.00 0.49 C ATOM 0 H ALA A 85 4.127 -3.167 0.219 1.00 0.31 H new ATOM 0 HA ALA A 85 5.860 -3.733 2.553 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.800 -5.626 1.302 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.074 -5.867 1.661 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.584 -5.385 0.025 1.00 0.49 H new ATOM 1359 N ALA A 86 7.975 -3.260 0.924 1.00 0.35 N ATOM 1360 CA ALA A 86 9.027 -2.467 0.301 1.00 0.45 C ATOM 1361 C ALA A 86 10.024 -3.324 -0.468 1.00 0.40 C ATOM 1362 O ALA A 86 10.272 -4.483 -0.128 1.00 0.55 O ATOM 1363 CB ALA A 86 9.757 -1.640 1.352 1.00 0.70 C ATOM 0 H ALA A 86 8.309 -4.035 1.497 1.00 0.35 H new ATOM 0 HA ALA A 86 8.544 -1.805 -0.418 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.540 -1.052 0.873 1.00 0.70 H new ATOM 0 HB2 ALA A 86 9.051 -0.971 1.844 1.00 0.70 H new ATOM 0 HB3 ALA A 86 10.203 -2.304 2.092 1.00 0.70 H new ATOM 1369 N LYS A 87 10.625 -2.708 -1.473 1.00 0.46 N ATOM 1370 CA LYS A 87 11.657 -3.321 -2.293 1.00 0.49 C ATOM 1371 C LYS A 87 12.480 -2.201 -2.912 1.00 0.61 C ATOM 1372 O LYS A 87 12.042 -1.055 -2.917 1.00 0.80 O ATOM 1373 CB LYS A 87 11.018 -4.186 -3.391 1.00 0.62 C ATOM 1374 CG LYS A 87 12.013 -4.913 -4.288 1.00 0.69 C ATOM 1375 CD LYS A 87 11.346 -5.480 -5.530 1.00 0.91 C ATOM 1376 CE LYS A 87 10.985 -4.385 -6.518 1.00 1.08 C ATOM 1377 NZ LYS A 87 10.804 -4.907 -7.897 1.00 1.33 N ATOM 0 H LYS A 87 10.405 -1.750 -1.747 1.00 0.46 H new ATOM 0 HA LYS A 87 12.292 -3.967 -1.688 1.00 0.49 H new ATOM 0 HB2 LYS A 87 10.367 -4.923 -2.921 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.385 -3.552 -4.012 1.00 0.62 H new ATOM 0 HG2 LYS A 87 12.806 -4.225 -4.583 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.484 -5.721 -3.728 1.00 0.69 H new ATOM 0 HD2 LYS A 87 12.014 -6.197 -6.008 1.00 0.91 H new ATOM 0 HD3 LYS A 87 10.446 -6.025 -5.244 1.00 0.91 H new ATOM 0 HE2 LYS A 87 10.067 -3.895 -6.194 1.00 1.08 H new ATOM 0 HE3 LYS A 87 11.768 -3.627 -6.519 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 10.027 -4.396 -8.362 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 11.682 -4.770 -8.438 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 10.577 -5.921 -7.857 1.00 1.33 H new ATOM 1391 N ASP A 88 13.633 -2.514 -3.467 1.00 0.67 N ATOM 1392 CA ASP A 88 14.407 -1.515 -4.182 1.00 0.81 C ATOM 1393 C ASP A 88 14.013 -1.522 -5.656 1.00 0.90 C ATOM 1394 O ASP A 88 13.486 -2.514 -6.159 1.00 1.00 O ATOM 1395 CB ASP A 88 15.906 -1.768 -4.024 1.00 0.96 C ATOM 1396 CG ASP A 88 16.748 -0.808 -4.840 1.00 1.22 C ATOM 1397 OD1 ASP A 88 16.426 0.402 -4.868 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.727 -1.255 -5.464 1.00 1.42 O ATOM 0 H ASP A 88 14.054 -3.443 -3.439 1.00 0.67 H new ATOM 0 HA ASP A 88 14.190 -0.534 -3.759 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.177 -1.679 -2.972 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.132 -2.791 -4.326 1.00 0.96 H new ATOM 1403 N ASN A 89 14.223 -0.403 -6.328 1.00 1.00 N ATOM 1404 CA ASN A 89 13.874 -0.276 -7.736 1.00 1.17 C ATOM 1405 C ASN A 89 14.790 -1.136 -8.600 1.00 1.27 C ATOM 1406 O ASN A 89 14.326 -1.885 -9.462 1.00 1.46 O ATOM 1407 CB ASN A 89 13.972 1.189 -8.170 1.00 1.30 C ATOM 1408 CG ASN A 89 13.081 1.514 -9.354 1.00 1.53 C ATOM 1409 OD1 ASN A 89 12.520 0.622 -9.990 1.00 1.91 O ATOM 1410 ND2 ASN A 89 12.943 2.796 -9.654 1.00 1.75 N ATOM 0 H ASN A 89 14.636 0.436 -5.920 1.00 1.00 H new ATOM 0 HA ASN A 89 12.849 -0.622 -7.868 1.00 1.17 H new ATOM 0 HB2 ASN A 89 13.701 1.830 -7.331 1.00 1.30 H new ATOM 0 HB3 ASN A 89 15.006 1.419 -8.426 1.00 1.30 H new ATOM 0 HD21 ASN A 89 12.354 3.076 -10.438 1.00 1.75 H new ATOM 0 HD22 ASN A 89 13.426 3.504 -9.101 1.00 1.75 H new ATOM 1417 N GLU A 90 16.087 -1.039 -8.354 1.00 1.29 N ATOM 1418 CA GLU A 90 17.064 -1.807 -9.111 1.00 1.46 C ATOM 1419 C GLU A 90 17.181 -3.226 -8.572 1.00 1.44 C ATOM 1420 O GLU A 90 16.977 -4.197 -9.303 1.00 1.57 O ATOM 1421 CB GLU A 90 18.428 -1.120 -9.065 1.00 1.60 C ATOM 1422 CG GLU A 90 18.937 -0.682 -10.426 1.00 1.82 C ATOM 1423 CD GLU A 90 19.090 -1.840 -11.385 1.00 1.96 C ATOM 1424 OE1 GLU A 90 20.174 -2.460 -11.410 1.00 2.17 O ATOM 1425 OE2 GLU A 90 18.127 -2.137 -12.119 1.00 2.26 O ATOM 0 H GLU A 90 16.488 -0.436 -7.636 1.00 1.29 H new ATOM 0 HA GLU A 90 16.723 -1.859 -10.145 1.00 1.46 H new ATOM 0 HB2 GLU A 90 18.364 -0.249 -8.413 1.00 1.60 H new ATOM 0 HB3 GLU A 90 19.153 -1.800 -8.618 1.00 1.60 H new ATOM 0 HG2 GLU A 90 18.248 0.049 -10.850 1.00 1.82 H new ATOM 0 HG3 GLU A 90 19.899 -0.183 -10.308 1.00 1.82 H new ATOM 1432 N ILE A 91 17.516 -3.340 -7.295 1.00 1.38 N ATOM 1433 CA ILE A 91 17.698 -4.635 -6.666 1.00 1.45 C ATOM 1434 C ILE A 91 16.368 -5.193 -6.194 1.00 1.48 C ATOM 1435 O ILE A 91 15.645 -4.555 -5.426 1.00 1.79 O ATOM 1436 CB ILE A 91 18.681 -4.547 -5.480 1.00 1.63 C ATOM 1437 CG1 ILE A 91 20.025 -3.984 -5.954 1.00 2.02 C ATOM 1438 CG2 ILE A 91 18.866 -5.914 -4.836 1.00 1.69 C ATOM 1439 CD1 ILE A 91 21.095 -3.965 -4.885 1.00 2.51 C ATOM 0 H ILE A 91 17.667 -2.545 -6.674 1.00 1.38 H new ATOM 0 HA ILE A 91 18.120 -5.308 -7.413 1.00 1.45 H new ATOM 0 HB ILE A 91 18.267 -3.874 -4.729 1.00 1.63 H new ATOM 0 HG12 ILE A 91 20.379 -4.577 -6.797 1.00 2.02 H new ATOM 0 HG13 ILE A 91 19.873 -2.969 -6.320 1.00 2.02 H new ATOM 0 HG21 ILE A 91 19.563 -5.832 -4.002 1.00 1.69 H new ATOM 0 HG22 ILE A 91 17.905 -6.278 -4.472 1.00 1.69 H new ATOM 0 HG23 ILE A 91 19.263 -6.612 -5.573 1.00 1.69 H new ATOM 0 HD11 ILE A 91 22.015 -3.553 -5.299 1.00 2.51 H new ATOM 0 HD12 ILE A 91 20.764 -3.347 -4.050 1.00 2.51 H new ATOM 0 HD13 ILE A 91 21.278 -4.981 -4.535 1.00 2.51 H new ATOM 1451 N GLY A 92 16.047 -6.383 -6.667 1.00 1.53 N ATOM 1452 CA GLY A 92 14.798 -7.014 -6.309 1.00 1.75 C ATOM 1453 C GLY A 92 14.834 -7.626 -4.924 1.00 1.30 C ATOM 1454 O GLY A 92 14.704 -8.839 -4.771 1.00 1.27 O ATOM 0 H GLY A 92 16.635 -6.928 -7.298 1.00 1.53 H new ATOM 0 HA2 GLY A 92 13.996 -6.278 -6.357 1.00 1.75 H new ATOM 0 HA3 GLY A 92 14.563 -7.789 -7.039 1.00 1.75 H new ATOM 1458 N THR A 93 15.006 -6.784 -3.919 1.00 1.16 N ATOM 1459 CA THR A 93 15.032 -7.231 -2.538 1.00 0.92 C ATOM 1460 C THR A 93 13.618 -7.225 -1.957 1.00 0.81 C ATOM 1461 O THR A 93 13.089 -6.183 -1.565 1.00 0.82 O ATOM 1462 CB THR A 93 15.990 -6.362 -1.683 1.00 1.19 C ATOM 1463 OG1 THR A 93 15.856 -6.674 -0.291 1.00 1.75 O ATOM 1464 CG2 THR A 93 15.746 -4.872 -1.904 1.00 1.62 C ATOM 0 H THR A 93 15.131 -5.778 -4.036 1.00 1.16 H new ATOM 0 HA THR A 93 15.412 -8.252 -2.515 1.00 0.92 H new ATOM 0 HB THR A 93 17.006 -6.593 -2.004 1.00 1.19 H new ATOM 0 HG1 THR A 93 16.574 -6.237 0.213 1.00 1.75 H new ATOM 0 HG21 THR A 93 16.436 -4.295 -1.288 1.00 1.62 H new ATOM 0 HG22 THR A 93 15.907 -4.629 -2.954 1.00 1.62 H new ATOM 0 HG23 THR A 93 14.721 -4.626 -1.628 1.00 1.62 H new ATOM 1472 N TRP A 94 12.952 -8.366 -2.054 1.00 0.78 N ATOM 1473 CA TRP A 94 11.559 -8.471 -1.652 1.00 0.75 C ATOM 1474 C TRP A 94 11.433 -8.636 -0.145 1.00 0.74 C ATOM 1475 O TRP A 94 11.640 -9.727 0.395 1.00 0.89 O ATOM 1476 CB TRP A 94 10.889 -9.648 -2.364 1.00 0.82 C ATOM 1477 CG TRP A 94 10.415 -9.314 -3.744 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.191 -9.072 -4.839 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.055 -9.181 -4.176 1.00 1.04 C ATOM 1480 NE1 TRP A 94 10.400 -8.798 -5.926 1.00 1.13 N ATOM 1481 CE2 TRP A 94 9.084 -8.858 -5.546 1.00 1.19 C ATOM 1482 CE3 TRP A 94 7.816 -9.306 -3.540 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 7.923 -8.652 -6.287 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 6.664 -9.104 -4.276 1.00 1.55 C ATOM 1485 CH2 TRP A 94 6.724 -8.781 -5.639 1.00 1.63 C ATOM 0 H TRP A 94 13.355 -9.233 -2.408 1.00 0.78 H new ATOM 0 HA TRP A 94 11.057 -7.547 -1.937 1.00 0.75 H new ATOM 0 HB2 TRP A 94 11.593 -10.478 -2.420 1.00 0.82 H new ATOM 0 HB3 TRP A 94 10.042 -9.989 -1.769 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.271 -9.093 -4.849 1.00 0.93 H new ATOM 0 HE1 TRP A 94 10.736 -8.584 -6.865 1.00 1.13 H new ATOM 0 HE3 TRP A 94 7.760 -9.556 -2.491 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 7.967 -8.399 -7.336 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 5.702 -9.196 -3.794 1.00 1.55 H new ATOM 0 HH2 TRP A 94 5.806 -8.631 -6.188 1.00 1.63 H new ATOM 1496 N SER A 95 11.046 -7.561 0.521 1.00 0.65 N ATOM 1497 CA SER A 95 10.801 -7.599 1.951 1.00 0.65 C ATOM 1498 C SER A 95 9.433 -8.215 2.221 1.00 0.63 C ATOM 1499 O SER A 95 8.626 -8.372 1.300 1.00 0.72 O ATOM 1500 CB SER A 95 10.881 -6.189 2.535 1.00 0.68 C ATOM 1501 OG SER A 95 11.849 -5.413 1.847 1.00 0.94 O ATOM 0 H SER A 95 10.895 -6.648 0.091 1.00 0.65 H new ATOM 0 HA SER A 95 11.563 -8.213 2.431 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.906 -5.706 2.467 1.00 0.68 H new ATOM 0 HB3 SER A 95 11.137 -6.243 3.593 1.00 0.68 H new ATOM 0 HG SER A 95 11.405 -4.864 1.168 1.00 0.94 H new ATOM 1507 N ASP A 96 9.187 -8.613 3.457 1.00 0.69 N ATOM 1508 CA ASP A 96 7.927 -9.254 3.795 1.00 0.74 C ATOM 1509 C ASP A 96 6.793 -8.242 3.826 1.00 0.63 C ATOM 1510 O ASP A 96 7.022 -7.033 3.926 1.00 0.53 O ATOM 1511 CB ASP A 96 8.020 -9.983 5.134 1.00 0.94 C ATOM 1512 CG ASP A 96 7.266 -11.297 5.111 1.00 1.28 C ATOM 1513 OD1 ASP A 96 6.277 -11.409 4.354 1.00 1.57 O ATOM 1514 OD2 ASP A 96 7.667 -12.235 5.832 1.00 1.94 O ATOM 0 H ASP A 96 9.836 -8.505 4.237 1.00 0.69 H new ATOM 0 HA ASP A 96 7.715 -9.989 3.019 1.00 0.74 H new ATOM 0 HB2 ASP A 96 9.067 -10.168 5.375 1.00 0.94 H new ATOM 0 HB3 ASP A 96 7.619 -9.347 5.923 1.00 0.94 H new ATOM 1519 N TRP A 97 5.577 -8.749 3.717 1.00 0.76 N ATOM 1520 CA TRP A 97 4.383 -7.921 3.714 1.00 0.73 C ATOM 1521 C TRP A 97 4.174 -7.291 5.086 1.00 0.60 C ATOM 1522 O TRP A 97 3.971 -7.996 6.073 1.00 0.76 O ATOM 1523 CB TRP A 97 3.174 -8.767 3.314 1.00 0.99 C ATOM 1524 CG TRP A 97 3.370 -9.488 2.016 1.00 1.31 C ATOM 1525 CD1 TRP A 97 3.521 -10.832 1.839 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.450 -8.900 0.713 1.00 1.05 C ATOM 1527 NE1 TRP A 97 3.689 -11.115 0.507 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.647 -9.947 -0.205 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.370 -7.592 0.233 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.768 -9.727 -1.573 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.490 -7.373 -1.126 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.687 -8.435 -2.015 1.00 1.26 C ATOM 0 H TRP A 97 5.389 -9.748 3.628 1.00 0.76 H new ATOM 0 HA TRP A 97 4.503 -7.117 2.988 1.00 0.73 H new ATOM 0 HB2 TRP A 97 2.970 -9.494 4.100 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.297 -8.125 3.238 1.00 0.99 H new ATOM 0 HD1 TRP A 97 3.510 -11.566 2.631 1.00 2.12 H new ATOM 0 HE1 TRP A 97 3.823 -12.045 0.111 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.217 -6.766 0.912 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.920 -10.546 -2.261 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 3.431 -6.365 -1.508 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.777 -8.231 -3.072 1.00 1.26 H new ATOM 1543 N SER A 98 4.429 -5.998 5.172 1.00 0.41 N ATOM 1544 CA SER A 98 4.479 -5.323 6.455 1.00 0.42 C ATOM 1545 C SER A 98 3.124 -4.756 6.880 1.00 0.38 C ATOM 1546 O SER A 98 2.442 -5.332 7.728 1.00 0.46 O ATOM 1547 CB SER A 98 5.524 -4.214 6.395 1.00 0.51 C ATOM 1548 OG SER A 98 6.273 -4.293 5.192 1.00 0.50 O ATOM 0 H SER A 98 4.605 -5.395 4.368 1.00 0.41 H new ATOM 0 HA SER A 98 4.754 -6.061 7.209 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.034 -3.242 6.461 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.194 -4.292 7.252 1.00 0.51 H new ATOM 0 HG SER A 98 7.215 -4.100 5.380 1.00 0.50 H new ATOM 1554 N VAL A 99 2.804 -3.563 6.396 1.00 0.33 N ATOM 1555 CA VAL A 99 1.642 -2.836 6.888 1.00 0.34 C ATOM 1556 C VAL A 99 0.365 -3.216 6.147 1.00 0.32 C ATOM 1557 O VAL A 99 0.187 -2.902 4.971 1.00 0.34 O ATOM 1558 CB VAL A 99 1.864 -1.307 6.817 1.00 0.42 C ATOM 1559 CG1 VAL A 99 2.478 -0.904 5.485 1.00 1.21 C ATOM 1560 CG2 VAL A 99 0.566 -0.551 7.073 1.00 1.32 C ATOM 0 H VAL A 99 3.330 -3.081 5.667 1.00 0.33 H new ATOM 0 HA VAL A 99 1.517 -3.124 7.932 1.00 0.34 H new ATOM 0 HB VAL A 99 2.568 -1.036 7.604 1.00 0.42 H new ATOM 0 HG11 VAL A 99 2.623 0.176 5.463 1.00 1.21 H new ATOM 0 HG12 VAL A 99 3.440 -1.402 5.362 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.812 -1.197 4.674 1.00 1.21 H new ATOM 0 HG21 VAL A 99 0.752 0.521 7.017 1.00 1.32 H new ATOM 0 HG22 VAL A 99 -0.172 -0.831 6.322 1.00 1.32 H new ATOM 0 HG23 VAL A 99 0.188 -0.802 8.064 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.544 -3.835 6.874 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.858 -4.162 6.349 1.00 0.41 C ATOM 1572 C ALA A 100 -2.854 -3.049 6.675 1.00 0.43 C ATOM 1573 O ALA A 100 -3.487 -3.061 7.732 1.00 0.61 O ATOM 1574 CB ALA A 100 -2.329 -5.494 6.911 1.00 0.50 C ATOM 0 H ALA A 100 -0.395 -4.125 7.841 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.793 -4.251 5.265 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -3.315 -5.729 6.511 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.626 -6.277 6.628 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -2.384 -5.431 7.998 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.975 -2.077 5.784 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.883 -0.960 5.995 1.00 0.36 C ATOM 1582 C ALA A 101 -5.299 -1.325 5.570 1.00 0.41 C ATOM 1583 O ALA A 101 -5.615 -1.360 4.382 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.394 0.264 5.236 1.00 0.42 C ATOM 0 H ALA A 101 -2.455 -2.039 4.907 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.901 -0.726 7.059 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -4.082 1.093 5.402 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.401 0.539 5.591 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.349 0.037 4.171 1.00 0.42 H new ATOM 1590 N HIS A 102 -6.153 -1.597 6.542 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.536 -1.956 6.255 1.00 0.57 C ATOM 1592 C HIS A 102 -8.463 -0.783 6.545 1.00 0.50 C ATOM 1593 O HIS A 102 -8.464 -0.237 7.651 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.974 -3.200 7.047 1.00 0.95 C ATOM 1595 CG HIS A 102 -7.545 -3.220 8.487 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -8.275 -2.639 9.502 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -6.460 -3.772 9.082 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -7.659 -2.832 10.652 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -6.557 -3.518 10.427 1.00 2.00 N ATOM 0 H HIS A 102 -5.917 -1.577 7.534 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.601 -2.200 5.195 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -9.061 -3.274 7.006 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -7.575 -4.086 6.553 1.00 0.95 H new ATOM 0 HD2 HIS A 102 -5.665 -4.312 8.589 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -8.001 -2.486 11.616 1.00 2.18 H new ATOM 0 HE2 HIS A 102 -5.886 -3.812 11.136 1.00 2.00 H new ATOM 1608 N ALA A 103 -9.213 -0.367 5.534 1.00 0.38 N ATOM 1609 CA ALA A 103 -10.111 0.769 5.668 1.00 0.54 C ATOM 1610 C ALA A 103 -11.345 0.596 4.793 1.00 0.36 C ATOM 1611 O ALA A 103 -11.485 -0.412 4.099 1.00 0.35 O ATOM 1612 CB ALA A 103 -9.387 2.057 5.317 1.00 0.91 C ATOM 0 H ALA A 103 -9.217 -0.801 4.611 1.00 0.38 H new ATOM 0 HA ALA A 103 -10.439 0.823 6.706 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -10.071 2.899 5.422 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -8.539 2.193 5.989 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -9.030 2.005 4.288 1.00 0.91 H new ATOM 1618 N THR A 104 -12.241 1.571 4.850 1.00 0.41 N ATOM 1619 CA THR A 104 -13.497 1.517 4.111 1.00 0.38 C ATOM 1620 C THR A 104 -13.880 2.906 3.609 1.00 0.41 C ATOM 1621 O THR A 104 -13.894 3.857 4.389 1.00 0.51 O ATOM 1622 CB THR A 104 -14.633 0.989 5.008 1.00 0.50 C ATOM 1623 OG1 THR A 104 -14.120 0.641 6.305 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.305 -0.221 4.385 1.00 0.70 C ATOM 0 H THR A 104 -12.120 2.418 5.406 1.00 0.41 H new ATOM 0 HA THR A 104 -13.356 0.844 3.265 1.00 0.38 H new ATOM 0 HB THR A 104 -15.374 1.782 5.111 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.850 0.308 6.867 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.102 -0.572 5.040 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.725 0.054 3.417 1.00 0.70 H new ATOM 0 HG23 THR A 104 -14.571 -1.015 4.249 1.00 0.70 H new ATOM 1632 N PRO A 105 -14.151 3.056 2.298 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.523 4.350 1.717 1.00 0.38 C ATOM 1634 C PRO A 105 -15.907 4.823 2.182 1.00 0.40 C ATOM 1635 O PRO A 105 -16.466 4.286 3.140 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.505 4.106 0.205 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.576 2.626 0.018 1.00 0.45 C ATOM 1638 CD PRO A 105 -14.067 1.988 1.286 1.00 0.40 C ATOM 0 HA PRO A 105 -13.838 5.139 2.027 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -15.348 4.600 -0.279 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.598 4.511 -0.243 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -15.600 2.313 -0.185 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.973 2.317 -0.836 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.673 1.127 1.567 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -13.043 1.633 1.168 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.427 5.870 1.546 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.702 6.449 1.955 1.00 0.41 C ATOM 1648 C TRP A 106 -18.827 5.422 1.859 1.00 0.48 C ATOM 1649 O TRP A 106 -19.160 4.942 0.773 1.00 0.65 O ATOM 1650 CB TRP A 106 -18.034 7.687 1.105 1.00 0.51 C ATOM 1651 CG TRP A 106 -19.469 8.127 1.198 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -20.209 8.291 2.334 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -20.337 8.457 0.107 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -21.486 8.684 2.013 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -21.587 8.799 0.655 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -20.179 8.497 -1.279 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.673 9.168 -0.135 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -21.256 8.866 -2.063 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -22.488 9.197 -1.489 1.00 1.07 C ATOM 0 H TRP A 106 -15.987 6.332 0.750 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.610 6.757 2.997 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -17.391 8.511 1.415 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -17.797 7.473 0.063 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -19.844 8.135 3.338 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -22.237 8.861 2.680 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -19.231 8.244 -1.731 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -23.626 9.422 0.306 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -21.144 8.899 -3.137 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -23.310 9.481 -2.129 1.00 1.07 H new ATOM 1670 N THR A 107 -19.461 5.159 2.992 1.00 0.60 N ATOM 1671 CA THR A 107 -20.620 4.293 3.035 1.00 0.75 C ATOM 1672 C THR A 107 -21.835 5.035 2.502 1.00 0.82 C ATOM 1673 O THR A 107 -22.500 5.771 3.236 1.00 0.89 O ATOM 1674 CB THR A 107 -20.912 3.790 4.459 1.00 0.96 C ATOM 1675 OG1 THR A 107 -19.714 3.831 5.252 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.457 2.371 4.418 1.00 1.19 C ATOM 0 H THR A 107 -19.186 5.538 3.898 1.00 0.60 H new ATOM 0 HA THR A 107 -20.405 3.425 2.412 1.00 0.75 H new ATOM 0 HB THR A 107 -21.661 4.441 4.911 1.00 0.96 H new ATOM 0 HG1 THR A 107 -19.910 3.511 6.157 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.659 2.029 5.433 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.380 2.352 3.839 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.723 1.713 3.953 1.00 1.19 H new