USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 710 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 18 LYS NZ :NH3+ 161:sc= 1.04 (180deg=0) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.297 K(o=0.74,f=-14!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -121:sc= 0 (180deg=-0.0124) USER MOD Single : A 14 ASN : amide:sc=-0.00867 X(o=-0.0087,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 20 SER OG : rot 71:sc= 0.0475 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -4.11! C(o=-4.9!,f=-4.1!) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.633 F(o=-2.4,f=-0.63) USER MOD Single : A 31 HIS : no HD1:sc= -4.52! C(o=-4.5!,f=-6.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 139:sc= -0.368 (180deg=-2.17!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc=-0.00248 X(o=-0.0025,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.17) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.479 K(o=-0.48,f=-4.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -3.21! C(o=-3.2!,f=-4.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0528 X(o=-0.053,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -2.64! F(o=-4.5,f=-2.6!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 82:sc= 0.724 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.05 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.784 -4.867 -8.027 1.00 0.00 N ATOM 60 CA GLY A 7 -12.423 -6.275 -8.031 1.00 0.00 C ATOM 61 C GLY A 7 -11.275 -6.550 -7.058 1.00 0.00 C ATOM 62 O GLY A 7 -11.507 -6.905 -5.903 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.289 -6.877 -7.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.132 -6.576 -9.037 1.00 0.00 H new ATOM 66 N PRO A 8 -10.029 -6.369 -7.573 1.00 0.00 N ATOM 67 CA PRO A 8 -8.844 -6.594 -6.762 1.00 0.00 C ATOM 68 C PRO A 8 -8.636 -5.450 -5.767 1.00 0.00 C ATOM 69 O PRO A 8 -8.822 -4.283 -6.109 1.00 0.00 O ATOM 70 CB PRO A 8 -7.705 -6.729 -7.759 1.00 0.00 C ATOM 71 CG PRO A 8 -8.210 -6.115 -9.054 1.00 0.00 C ATOM 72 CD PRO A 8 -9.716 -5.949 -8.935 1.00 0.00 C ATOM 0 HA PRO A 8 -8.921 -7.488 -6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.812 -6.214 -7.404 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.433 -7.775 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.733 -5.151 -9.231 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.962 -6.754 -9.902 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.015 -4.916 -9.109 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.241 -6.561 -9.669 1.00 0.00 H new ATOM 80 N LYS A 9 -8.253 -5.825 -4.555 1.00 0.00 N ATOM 81 CA LYS A 9 -8.018 -4.845 -3.508 1.00 0.00 C ATOM 82 C LYS A 9 -7.023 -3.797 -4.011 1.00 0.00 C ATOM 83 O LYS A 9 -6.603 -3.839 -5.166 1.00 0.00 O ATOM 84 CB LYS A 9 -7.581 -5.537 -2.215 1.00 0.00 C ATOM 85 CG LYS A 9 -8.742 -5.625 -1.222 1.00 0.00 C ATOM 86 CD LYS A 9 -8.792 -7.003 -0.558 1.00 0.00 C ATOM 87 CE LYS A 9 -10.176 -7.276 0.034 1.00 0.00 C ATOM 88 NZ LYS A 9 -10.487 -8.722 -0.019 1.00 0.00 N ATOM 0 H LYS A 9 -8.100 -6.794 -4.275 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.941 -4.318 -3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.213 -6.538 -2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.754 -4.987 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.633 -4.854 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.682 -5.432 -1.738 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.547 -7.773 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.039 -7.060 0.228 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.211 -6.928 1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.931 -6.715 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.430 -8.889 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.473 -9.044 -1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.776 -9.250 0.527 1.00 0.00 H new ATOM 102 N LYS A 10 -6.674 -2.882 -3.118 1.00 0.00 N ATOM 103 CA LYS A 10 -5.737 -1.825 -3.456 1.00 0.00 C ATOM 104 C LYS A 10 -4.702 -1.690 -2.337 1.00 0.00 C ATOM 105 O LYS A 10 -4.797 -0.789 -1.505 1.00 0.00 O ATOM 106 CB LYS A 10 -6.483 -0.526 -3.765 1.00 0.00 C ATOM 107 CG LYS A 10 -7.796 -0.808 -4.498 1.00 0.00 C ATOM 108 CD LYS A 10 -7.558 -0.991 -5.998 1.00 0.00 C ATOM 109 CE LYS A 10 -8.861 -0.825 -6.784 1.00 0.00 C ATOM 110 NZ LYS A 10 -8.643 0.027 -7.974 1.00 0.00 N ATOM 0 H LYS A 10 -7.024 -2.851 -2.160 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.192 -2.076 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.688 0.009 -2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.854 0.122 -4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.260 -1.705 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.492 0.015 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.824 -0.263 -6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.139 -1.980 -6.186 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.234 -1.802 -7.092 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.624 -0.380 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.537 0.129 -8.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.308 0.965 -7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.931 -0.413 -8.590 1.00 0.00 H new ATOM 124 N PRO A 11 -3.712 -2.622 -2.354 1.00 0.00 N ATOM 125 CA PRO A 11 -2.661 -2.615 -1.351 1.00 0.00 C ATOM 126 C PRO A 11 -1.656 -1.493 -1.618 1.00 0.00 C ATOM 127 O PRO A 11 -1.734 -0.816 -2.642 1.00 0.00 O ATOM 128 CB PRO A 11 -2.038 -4.000 -1.424 1.00 0.00 C ATOM 129 CG PRO A 11 -2.448 -4.571 -2.772 1.00 0.00 C ATOM 130 CD PRO A 11 -3.568 -3.704 -3.324 1.00 0.00 C ATOM 0 HA PRO A 11 -3.038 -2.415 -0.348 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.953 -3.945 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.392 -4.631 -0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.600 -4.580 -3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.782 -5.603 -2.664 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.320 -3.319 -4.313 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.494 -4.270 -3.426 1.00 0.00 H new ATOM 138 N PRO A 12 -0.710 -1.327 -0.655 1.00 0.00 N ATOM 139 CA PRO A 12 0.309 -0.299 -0.776 1.00 0.00 C ATOM 140 C PRO A 12 1.373 -0.700 -1.800 1.00 0.00 C ATOM 141 O PRO A 12 1.148 -1.590 -2.618 1.00 0.00 O ATOM 142 CB PRO A 12 0.869 -0.132 0.628 1.00 0.00 C ATOM 143 CG PRO A 12 0.474 -1.389 1.386 1.00 0.00 C ATOM 144 CD PRO A 12 -0.587 -2.111 0.571 1.00 0.00 C ATOM 0 HA PRO A 12 -0.089 0.646 -1.147 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.952 -0.014 0.605 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.461 0.758 1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.341 -2.031 1.538 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.089 -1.134 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.291 -3.138 0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.535 -2.158 1.108 1.00 0.00 H new ATOM 152 N MET A 13 2.510 -0.023 -1.720 1.00 0.00 N ATOM 153 CA MET A 13 3.609 -0.297 -2.630 1.00 0.00 C ATOM 154 C MET A 13 4.908 -0.547 -1.861 1.00 0.00 C ATOM 155 O MET A 13 5.508 -1.614 -1.980 1.00 0.00 O ATOM 156 CB MET A 13 3.797 0.891 -3.577 1.00 0.00 C ATOM 157 CG MET A 13 2.785 0.843 -4.723 1.00 0.00 C ATOM 158 SD MET A 13 3.558 0.188 -6.193 1.00 0.00 S ATOM 159 CE MET A 13 4.432 1.639 -6.756 1.00 0.00 C ATOM 0 H MET A 13 2.693 0.714 -1.039 1.00 0.00 H new ATOM 0 HA MET A 13 3.368 -1.194 -3.201 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.682 1.823 -3.024 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.810 0.883 -3.980 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.934 0.222 -4.442 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.399 1.843 -4.920 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.095 1.900 -7.759 1.00 0.00 H new ATOM 0 HE2 MET A 13 4.233 2.469 -6.079 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.502 1.435 -6.775 1.00 0.00 H new ATOM 169 N ASN A 14 5.303 0.454 -1.089 1.00 0.00 N ATOM 170 CA ASN A 14 6.520 0.356 -0.301 1.00 0.00 C ATOM 171 C ASN A 14 6.162 -0.036 1.134 1.00 0.00 C ATOM 172 O ASN A 14 4.994 -0.259 1.448 1.00 0.00 O ATOM 173 CB ASN A 14 7.256 1.696 -0.255 1.00 0.00 C ATOM 174 CG ASN A 14 8.100 1.902 -1.515 1.00 0.00 C ATOM 175 OD1 ASN A 14 9.135 1.285 -1.708 1.00 0.00 O ATOM 176 ND2 ASN A 14 7.601 2.801 -2.359 1.00 0.00 N ATOM 0 H ASN A 14 4.802 1.337 -0.992 1.00 0.00 H new ATOM 0 HA ASN A 14 7.163 -0.392 -0.765 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.535 2.508 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.897 1.733 0.626 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.090 3.010 -3.229 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.729 3.282 -2.136 1.00 0.00 H new ATOM 183 N GLY A 15 7.190 -0.108 1.968 1.00 0.00 N ATOM 184 CA GLY A 15 6.998 -0.469 3.362 1.00 0.00 C ATOM 185 C GLY A 15 6.327 0.668 4.136 1.00 0.00 C ATOM 186 O GLY A 15 5.534 0.422 5.044 1.00 0.00 O ATOM 0 H GLY A 15 8.158 0.078 1.705 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.386 -1.369 3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.960 -0.704 3.816 1.00 0.00 H new ATOM 190 N TYR A 16 6.669 1.888 3.748 1.00 0.00 N ATOM 191 CA TYR A 16 6.109 3.063 4.394 1.00 0.00 C ATOM 192 C TYR A 16 4.588 3.103 4.236 1.00 0.00 C ATOM 193 O TYR A 16 3.856 3.009 5.220 1.00 0.00 O ATOM 194 CB TYR A 16 6.716 4.269 3.674 1.00 0.00 C ATOM 195 CG TYR A 16 6.192 5.618 4.170 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.082 5.859 5.525 1.00 0.00 C ATOM 197 CD2 TYR A 16 5.830 6.593 3.264 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.589 7.129 5.992 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.337 7.863 3.731 1.00 0.00 C ATOM 200 CZ TYR A 16 5.241 8.068 5.072 1.00 0.00 C ATOM 201 OH TYR A 16 4.776 9.268 5.514 1.00 0.00 O ATOM 0 H TYR A 16 7.327 2.088 2.995 1.00 0.00 H new ATOM 0 HA TYR A 16 6.331 3.057 5.461 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.799 4.245 3.795 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.513 4.182 2.607 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.366 5.096 6.234 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.916 6.404 2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.498 7.331 7.049 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.050 8.635 3.032 1.00 0.00 H new ATOM 0 HH TYR A 16 4.568 9.841 4.747 1.00 0.00 H new ATOM 211 N GLN A 17 4.157 3.241 2.991 1.00 0.00 N ATOM 212 CA GLN A 17 2.736 3.294 2.692 1.00 0.00 C ATOM 213 C GLN A 17 1.997 2.173 3.425 1.00 0.00 C ATOM 214 O GLN A 17 0.828 2.322 3.778 1.00 0.00 O ATOM 215 CB GLN A 17 2.490 3.218 1.184 1.00 0.00 C ATOM 216 CG GLN A 17 2.841 4.543 0.504 1.00 0.00 C ATOM 217 CD GLN A 17 2.265 4.602 -0.912 1.00 0.00 C ATOM 218 OE1 GLN A 17 2.309 3.443 -1.563 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 1.810 5.632 -1.383 1.00 0.00 N flip ATOM 0 H GLN A 17 4.767 3.318 2.177 1.00 0.00 H new ATOM 0 HA GLN A 17 2.346 4.250 3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.089 2.415 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.445 2.973 0.994 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.452 5.373 1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.924 4.660 0.465 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.807 6.488 -0.829 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.433 5.636 -2.331 1.00 0.00 H new ATOM 228 N LYS A 18 2.709 1.075 3.633 1.00 0.00 N ATOM 229 CA LYS A 18 2.136 -0.071 4.318 1.00 0.00 C ATOM 230 C LYS A 18 1.904 0.283 5.789 1.00 0.00 C ATOM 231 O LYS A 18 0.771 0.255 6.267 1.00 0.00 O ATOM 232 CB LYS A 18 3.009 -1.310 4.114 1.00 0.00 C ATOM 233 CG LYS A 18 2.530 -2.470 4.989 1.00 0.00 C ATOM 234 CD LYS A 18 1.868 -3.559 4.141 1.00 0.00 C ATOM 235 CE LYS A 18 1.173 -4.595 5.026 1.00 0.00 C ATOM 236 NZ LYS A 18 -0.295 -4.528 4.847 1.00 0.00 N ATOM 0 H LYS A 18 3.678 0.955 3.339 1.00 0.00 H new ATOM 0 HA LYS A 18 1.164 -0.322 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.985 -1.607 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.045 -1.072 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.374 -2.892 5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.822 -2.102 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.142 -3.107 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.619 -4.049 3.522 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.531 -5.594 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.426 -4.418 6.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.726 -5.412 5.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.675 -3.728 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.516 -4.397 3.839 1.00 0.00 H new ATOM 250 N PHE A 19 2.996 0.607 6.465 1.00 0.00 N ATOM 251 CA PHE A 19 2.927 0.966 7.872 1.00 0.00 C ATOM 252 C PHE A 19 1.936 2.109 8.098 1.00 0.00 C ATOM 253 O PHE A 19 1.135 2.066 9.030 1.00 0.00 O ATOM 254 CB PHE A 19 4.325 1.430 8.285 1.00 0.00 C ATOM 255 CG PHE A 19 4.339 2.353 9.504 1.00 0.00 C ATOM 256 CD1 PHE A 19 4.111 1.845 10.745 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.580 3.682 9.348 1.00 0.00 C ATOM 258 CE1 PHE A 19 4.124 2.702 11.877 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.593 4.539 10.480 1.00 0.00 C ATOM 260 CZ PHE A 19 4.365 4.031 11.721 1.00 0.00 C ATOM 0 H PHE A 19 3.934 0.629 6.065 1.00 0.00 H new ATOM 0 HA PHE A 19 2.593 0.110 8.458 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.939 0.555 8.498 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.788 1.948 7.445 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.920 0.789 10.869 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.762 4.086 8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.942 2.298 12.862 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.784 5.595 10.356 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.375 4.683 12.582 1.00 0.00 H new ATOM 270 N SER A 20 2.022 3.105 7.228 1.00 0.00 N ATOM 271 CA SER A 20 1.142 4.258 7.321 1.00 0.00 C ATOM 272 C SER A 20 -0.319 3.803 7.312 1.00 0.00 C ATOM 273 O SER A 20 -1.073 4.108 8.235 1.00 0.00 O ATOM 274 CB SER A 20 1.399 5.240 6.176 1.00 0.00 C ATOM 275 OG SER A 20 2.757 5.670 6.136 1.00 0.00 O ATOM 0 H SER A 20 2.687 3.137 6.456 1.00 0.00 H new ATOM 0 HA SER A 20 1.350 4.773 8.259 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.140 4.768 5.228 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.748 6.107 6.289 1.00 0.00 H new ATOM 0 HG SER A 20 3.325 4.931 5.834 1.00 0.00 H new ATOM 281 N GLN A 21 -0.675 3.082 6.260 1.00 0.00 N ATOM 282 CA GLN A 21 -2.032 2.582 6.119 1.00 0.00 C ATOM 283 C GLN A 21 -2.522 1.997 7.445 1.00 0.00 C ATOM 284 O GLN A 21 -3.703 2.098 7.773 1.00 0.00 O ATOM 285 CB GLN A 21 -2.122 1.547 4.996 1.00 0.00 C ATOM 286 CG GLN A 21 -2.758 2.152 3.742 1.00 0.00 C ATOM 287 CD GLN A 21 -4.285 2.130 3.837 1.00 0.00 C ATOM 288 OE1 GLN A 21 -4.864 1.806 4.861 1.00 0.00 O ATOM 289 NE2 GLN A 21 -4.902 2.492 2.716 1.00 0.00 N ATOM 0 H GLN A 21 -0.047 2.832 5.496 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.680 3.417 5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.125 1.175 4.759 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.710 0.693 5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.413 3.178 3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.437 1.595 2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.356 2.752 1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.921 2.510 2.678 1.00 0.00 H new ATOM 298 N GLU A 22 -1.590 1.396 8.170 1.00 0.00 N ATOM 299 CA GLU A 22 -1.913 0.795 9.453 1.00 0.00 C ATOM 300 C GLU A 22 -2.361 1.869 10.446 1.00 0.00 C ATOM 301 O GLU A 22 -3.336 1.681 11.171 1.00 0.00 O ATOM 302 CB GLU A 22 -0.724 0.003 10.001 1.00 0.00 C ATOM 303 CG GLU A 22 -1.190 -1.292 10.672 1.00 0.00 C ATOM 304 CD GLU A 22 -0.506 -2.510 10.047 1.00 0.00 C ATOM 305 OE1 GLU A 22 -0.950 -2.909 8.949 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.445 -3.014 10.682 1.00 0.00 O ATOM 0 H GLU A 22 -0.612 1.312 7.894 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.738 0.097 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.034 -0.231 9.191 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.177 0.613 10.720 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.968 -1.253 11.739 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.271 -1.388 10.574 1.00 0.00 H new ATOM 313 N LEU A 23 -1.626 2.972 10.447 1.00 0.00 N ATOM 314 CA LEU A 23 -1.935 4.076 11.339 1.00 0.00 C ATOM 315 C LEU A 23 -3.243 4.735 10.894 1.00 0.00 C ATOM 316 O LEU A 23 -3.934 5.357 11.699 1.00 0.00 O ATOM 317 CB LEU A 23 -0.755 5.046 11.420 1.00 0.00 C ATOM 318 CG LEU A 23 0.515 4.504 12.080 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.766 5.008 11.358 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.541 4.837 13.573 1.00 0.00 C ATOM 0 H LEU A 23 -0.817 3.124 9.844 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.090 3.713 12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.506 5.369 10.409 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.076 5.932 11.968 1.00 0.00 H new ATOM 0 HG LEU A 23 0.509 3.418 11.992 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.654 4.608 11.847 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.744 4.678 10.319 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.792 6.097 11.393 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.454 4.441 14.018 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.513 5.919 13.705 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.325 4.389 14.061 1.00 0.00 H new ATOM 332 N LEU A 24 -3.543 4.575 9.613 1.00 0.00 N ATOM 333 CA LEU A 24 -4.755 5.146 9.052 1.00 0.00 C ATOM 334 C LEU A 24 -5.942 4.239 9.383 1.00 0.00 C ATOM 335 O LEU A 24 -7.076 4.706 9.479 1.00 0.00 O ATOM 336 CB LEU A 24 -4.581 5.407 7.554 1.00 0.00 C ATOM 337 CG LEU A 24 -3.610 6.529 7.178 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.846 6.999 5.741 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.691 7.683 8.179 1.00 0.00 C ATOM 0 H LEU A 24 -2.967 4.058 8.948 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.960 6.118 9.500 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.241 4.485 7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.558 5.641 7.130 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.596 6.133 7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.143 7.796 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.697 6.164 5.056 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.866 7.372 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.991 8.466 7.888 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.704 8.086 8.188 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.436 7.320 9.175 1.00 0.00 H new ATOM 351 N SER A 25 -5.640 2.960 9.550 1.00 0.00 N ATOM 352 CA SER A 25 -6.668 1.984 9.869 1.00 0.00 C ATOM 353 C SER A 25 -6.729 1.764 11.381 1.00 0.00 C ATOM 354 O SER A 25 -7.739 1.293 11.903 1.00 0.00 O ATOM 355 CB SER A 25 -6.410 0.658 9.150 1.00 0.00 C ATOM 356 OG SER A 25 -7.621 0.036 8.726 1.00 0.00 O ATOM 0 H SER A 25 -4.698 2.577 9.470 1.00 0.00 H new ATOM 0 HA SER A 25 -7.627 2.372 9.526 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.770 0.833 8.285 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.870 -0.016 9.815 1.00 0.00 H new ATOM 0 HG SER A 25 -7.414 -0.806 8.270 1.00 0.00 H new ATOM 362 N ASN A 26 -5.637 2.116 12.043 1.00 0.00 N ATOM 363 CA ASN A 26 -5.554 1.963 13.486 1.00 0.00 C ATOM 364 C ASN A 26 -6.334 3.093 14.160 1.00 0.00 C ATOM 365 O ASN A 26 -7.311 2.844 14.864 1.00 0.00 O ATOM 366 CB ASN A 26 -4.103 2.038 13.965 1.00 0.00 C ATOM 367 CG ASN A 26 -3.333 0.772 13.584 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.075 0.994 13.216 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -3.848 -0.334 13.622 1.00 0.00 N flip ATOM 0 H ASN A 26 -4.802 2.507 11.607 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.970 0.990 13.747 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.616 2.909 13.527 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.080 2.170 15.047 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.820 -0.434 13.914 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.306 -1.158 13.361 1.00 0.00 H new ATOM 376 N GLY A 27 -5.873 4.312 13.921 1.00 0.00 N ATOM 377 CA GLY A 27 -6.515 5.481 14.496 1.00 0.00 C ATOM 378 C GLY A 27 -5.720 6.011 15.691 1.00 0.00 C ATOM 379 O GLY A 27 -6.283 6.638 16.587 1.00 0.00 O ATOM 0 H GLY A 27 -5.062 4.515 13.337 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.604 6.261 13.739 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.527 5.226 14.812 1.00 0.00 H new ATOM 383 N GLU A 28 -4.424 5.739 15.666 1.00 0.00 N ATOM 384 CA GLU A 28 -3.546 6.181 16.737 1.00 0.00 C ATOM 385 C GLU A 28 -3.335 7.694 16.660 1.00 0.00 C ATOM 386 O GLU A 28 -2.904 8.315 17.631 1.00 0.00 O ATOM 387 CB GLU A 28 -2.209 5.438 16.691 1.00 0.00 C ATOM 388 CG GLU A 28 -2.375 4.047 16.075 1.00 0.00 C ATOM 389 CD GLU A 28 -1.326 3.077 16.622 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.420 2.760 17.828 1.00 0.00 O ATOM 391 OE2 GLU A 28 -0.455 2.673 15.822 1.00 0.00 O ATOM 0 H GLU A 28 -3.960 5.218 14.922 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.021 5.948 17.690 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.489 6.014 16.109 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.805 5.347 17.699 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.374 3.667 16.290 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.285 4.112 14.991 1.00 0.00 H new ATOM 398 N LEU A 29 -3.648 8.245 15.496 1.00 0.00 N ATOM 399 CA LEU A 29 -3.499 9.674 15.280 1.00 0.00 C ATOM 400 C LEU A 29 -4.809 10.243 14.733 1.00 0.00 C ATOM 401 O LEU A 29 -4.797 11.133 13.883 1.00 0.00 O ATOM 402 CB LEU A 29 -2.286 9.958 14.391 1.00 0.00 C ATOM 403 CG LEU A 29 -1.341 8.779 14.150 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.595 8.937 12.824 1.00 0.00 C ATOM 405 CD2 LEU A 29 -0.383 8.594 15.328 1.00 0.00 C ATOM 0 H LEU A 29 -4.004 7.727 14.693 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.300 10.183 16.223 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.644 10.315 13.425 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.714 10.771 14.839 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.940 7.871 14.077 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.070 8.086 12.677 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.313 8.982 12.005 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.009 9.856 12.843 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.277 7.750 15.131 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.212 9.498 15.458 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.955 8.403 16.236 1.00 0.00 H new ATOM 417 N ASN A 30 -5.908 9.706 15.241 1.00 0.00 N ATOM 418 CA ASN A 30 -7.225 10.149 14.813 1.00 0.00 C ATOM 419 C ASN A 30 -7.623 11.394 15.609 1.00 0.00 C ATOM 420 O ASN A 30 -8.709 11.937 15.416 1.00 0.00 O ATOM 421 CB ASN A 30 -8.278 9.069 15.067 1.00 0.00 C ATOM 422 CG ASN A 30 -8.728 8.423 13.754 1.00 0.00 C ATOM 423 OD1 ASN A 30 -7.734 8.171 12.907 1.00 0.00 O flip ATOM 424 ND2 ASN A 30 -9.899 8.170 13.526 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.914 8.968 15.945 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.179 10.364 13.745 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.870 8.307 15.730 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.138 9.506 15.575 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.613 8.390 14.221 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.165 7.739 12.641 1.00 0.00 H new ATOM 431 N HIS A 31 -6.721 11.809 16.487 1.00 0.00 N ATOM 432 CA HIS A 31 -6.965 12.979 17.313 1.00 0.00 C ATOM 433 C HIS A 31 -6.711 14.247 16.494 1.00 0.00 C ATOM 434 O HIS A 31 -7.213 15.318 16.831 1.00 0.00 O ATOM 435 CB HIS A 31 -6.130 12.924 18.594 1.00 0.00 C ATOM 436 CG HIS A 31 -4.647 12.771 18.354 1.00 0.00 C ATOM 437 ND1 HIS A 31 -4.065 11.566 18.000 1.00 0.00 N ATOM 438 CD2 HIS A 31 -3.635 13.683 18.420 1.00 0.00 C ATOM 439 CE1 HIS A 31 -2.761 11.756 17.863 1.00 0.00 C ATOM 440 NE2 HIS A 31 -2.496 13.068 18.125 1.00 0.00 N ATOM 0 H HIS A 31 -5.821 11.356 16.644 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.008 12.994 17.629 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -6.303 13.835 19.168 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.477 12.091 19.206 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.742 14.728 18.670 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.035 11.004 17.591 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.575 13.505 18.099 1.00 0.00 H new ATOM 448 N LEU A 32 -5.932 14.083 15.435 1.00 0.00 N ATOM 449 CA LEU A 32 -5.606 15.200 14.566 1.00 0.00 C ATOM 450 C LEU A 32 -6.186 14.944 13.174 1.00 0.00 C ATOM 451 O LEU A 32 -6.645 13.841 12.882 1.00 0.00 O ATOM 452 CB LEU A 32 -4.097 15.456 14.566 1.00 0.00 C ATOM 453 CG LEU A 32 -3.225 14.326 15.117 1.00 0.00 C ATOM 454 CD1 LEU A 32 -2.990 13.248 14.057 1.00 0.00 C ATOM 455 CD2 LEU A 32 -1.912 14.872 15.681 1.00 0.00 C ATOM 0 H LEU A 32 -5.517 13.193 15.159 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.062 16.118 14.938 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.784 15.664 13.543 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.901 16.356 15.148 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.758 13.854 15.942 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.367 12.457 14.475 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.947 12.830 13.745 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.488 13.688 13.195 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.311 14.048 16.066 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.362 15.384 14.892 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.126 15.573 16.488 1.00 0.00 H new ATOM 467 N PRO A 33 -6.145 16.009 12.329 1.00 0.00 N ATOM 468 CA PRO A 33 -6.662 15.911 10.975 1.00 0.00 C ATOM 469 C PRO A 33 -5.705 15.121 10.079 1.00 0.00 C ATOM 470 O PRO A 33 -4.533 14.953 10.413 1.00 0.00 O ATOM 471 CB PRO A 33 -6.850 17.349 10.520 1.00 0.00 C ATOM 472 CG PRO A 33 -6.001 18.196 11.454 1.00 0.00 C ATOM 473 CD PRO A 33 -5.609 17.331 12.640 1.00 0.00 C ATOM 0 HA PRO A 33 -7.604 15.365 10.923 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.535 17.475 9.484 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.899 17.641 10.573 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.113 18.561 10.937 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.558 19.072 11.788 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.527 17.300 12.766 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.027 17.719 13.569 1.00 0.00 H new ATOM 481 N LEU A 34 -6.240 14.657 8.960 1.00 0.00 N ATOM 482 CA LEU A 34 -5.449 13.888 8.014 1.00 0.00 C ATOM 483 C LEU A 34 -4.081 14.551 7.844 1.00 0.00 C ATOM 484 O LEU A 34 -3.048 13.915 8.050 1.00 0.00 O ATOM 485 CB LEU A 34 -6.212 13.706 6.700 1.00 0.00 C ATOM 486 CG LEU A 34 -5.591 12.736 5.693 1.00 0.00 C ATOM 487 CD1 LEU A 34 -4.100 13.022 5.505 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.849 11.284 6.099 1.00 0.00 C ATOM 0 H LEU A 34 -7.212 14.799 8.687 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.272 12.882 8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.220 13.361 6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.311 14.681 6.222 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.073 12.891 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.683 12.319 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.968 14.040 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.585 12.912 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.397 10.616 5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.411 11.097 7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.923 11.103 6.141 1.00 0.00 H new ATOM 500 N LYS A 35 -4.117 15.822 7.469 1.00 0.00 N ATOM 501 CA LYS A 35 -2.893 16.578 7.268 1.00 0.00 C ATOM 502 C LYS A 35 -1.853 16.141 8.302 1.00 0.00 C ATOM 503 O LYS A 35 -0.827 15.562 7.950 1.00 0.00 O ATOM 504 CB LYS A 35 -3.182 18.080 7.284 1.00 0.00 C ATOM 505 CG LYS A 35 -1.888 18.889 7.168 1.00 0.00 C ATOM 506 CD LYS A 35 -1.617 19.284 5.715 1.00 0.00 C ATOM 507 CE LYS A 35 -0.890 20.628 5.638 1.00 0.00 C ATOM 508 NZ LYS A 35 -0.142 20.741 4.366 1.00 0.00 N ATOM 0 H LYS A 35 -4.975 16.347 7.299 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.473 16.368 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.849 18.334 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.699 18.345 8.206 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.958 19.785 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.053 18.303 7.551 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.017 18.514 5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.559 19.344 5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.610 21.443 5.717 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.204 20.726 6.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.345 21.659 4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.558 19.975 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.803 20.669 3.567 1.00 0.00 H new ATOM 522 N GLU A 36 -2.155 16.436 9.558 1.00 0.00 N ATOM 523 CA GLU A 36 -1.259 16.080 10.646 1.00 0.00 C ATOM 524 C GLU A 36 -0.943 14.584 10.606 1.00 0.00 C ATOM 525 O GLU A 36 0.224 14.193 10.600 1.00 0.00 O ATOM 526 CB GLU A 36 -1.854 16.479 11.998 1.00 0.00 C ATOM 527 CG GLU A 36 -1.434 17.898 12.386 1.00 0.00 C ATOM 528 CD GLU A 36 -0.921 17.944 13.826 1.00 0.00 C ATOM 529 OE1 GLU A 36 -0.079 17.081 14.157 1.00 0.00 O ATOM 530 OE2 GLU A 36 -1.383 18.840 14.565 1.00 0.00 O ATOM 0 H GLU A 36 -3.007 16.917 9.847 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.327 16.631 10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.941 16.418 11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.527 15.777 12.765 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.656 18.249 11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.282 18.575 12.276 1.00 0.00 H new ATOM 537 N ARG A 37 -2.001 13.788 10.579 1.00 0.00 N ATOM 538 CA ARG A 37 -1.851 12.343 10.540 1.00 0.00 C ATOM 539 C ARG A 37 -0.666 11.957 9.652 1.00 0.00 C ATOM 540 O ARG A 37 0.299 11.359 10.125 1.00 0.00 O ATOM 541 CB ARG A 37 -3.118 11.672 10.007 1.00 0.00 C ATOM 542 CG ARG A 37 -3.945 11.077 11.148 1.00 0.00 C ATOM 543 CD ARG A 37 -5.318 10.621 10.651 1.00 0.00 C ATOM 544 NE ARG A 37 -6.384 11.387 11.336 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.674 11.026 11.356 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.067 9.909 10.729 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.572 11.782 12.003 1.00 0.00 N ATOM 0 H ARG A 37 -2.967 14.116 10.583 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.673 12.000 11.559 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.717 12.400 9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.848 10.887 9.301 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.413 10.232 11.585 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.068 11.818 11.938 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.390 10.766 9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.446 9.555 10.839 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.120 12.243 11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.384 9.333 10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.049 9.634 10.744 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.273 12.632 12.480 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.554 11.507 12.018 1.00 0.00 H new ATOM 561 N MET A 38 -0.778 12.315 8.382 1.00 0.00 N ATOM 562 CA MET A 38 0.273 12.014 7.424 1.00 0.00 C ATOM 563 C MET A 38 1.647 12.393 7.980 1.00 0.00 C ATOM 564 O MET A 38 2.466 11.521 8.268 1.00 0.00 O ATOM 565 CB MET A 38 0.017 12.783 6.126 1.00 0.00 C ATOM 566 CG MET A 38 -1.082 12.113 5.299 1.00 0.00 C ATOM 567 SD MET A 38 -0.361 10.946 4.157 1.00 0.00 S ATOM 568 CE MET A 38 -0.526 9.442 5.105 1.00 0.00 C ATOM 0 H MET A 38 -1.580 12.811 7.993 1.00 0.00 H new ATOM 0 HA MET A 38 0.264 10.942 7.229 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.271 13.808 6.358 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.936 12.834 5.542 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.785 11.603 5.958 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.648 12.867 4.752 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.835 8.630 4.447 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.431 9.194 5.563 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.275 9.583 5.884 1.00 0.00 H new ATOM 578 N VAL A 39 1.857 13.694 8.114 1.00 0.00 N ATOM 579 CA VAL A 39 3.118 14.199 8.631 1.00 0.00 C ATOM 580 C VAL A 39 3.494 13.423 9.894 1.00 0.00 C ATOM 581 O VAL A 39 4.631 12.977 10.038 1.00 0.00 O ATOM 582 CB VAL A 39 3.022 15.708 8.862 1.00 0.00 C ATOM 583 CG1 VAL A 39 1.805 16.054 9.724 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.309 16.250 9.487 1.00 0.00 C ATOM 0 H VAL A 39 1.175 14.414 7.874 1.00 0.00 H new ATOM 0 HA VAL A 39 3.917 14.045 7.906 1.00 0.00 H new ATOM 0 HB VAL A 39 2.893 16.188 7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.760 17.133 9.873 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.897 15.719 9.223 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.891 15.557 10.690 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.214 17.325 9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.482 15.760 10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.149 16.051 8.821 1.00 0.00 H new ATOM 594 N GLU A 40 2.517 13.286 10.779 1.00 0.00 N ATOM 595 CA GLU A 40 2.731 12.571 12.026 1.00 0.00 C ATOM 596 C GLU A 40 3.240 11.156 11.746 1.00 0.00 C ATOM 597 O GLU A 40 4.089 10.643 12.473 1.00 0.00 O ATOM 598 CB GLU A 40 1.452 12.538 12.865 1.00 0.00 C ATOM 599 CG GLU A 40 1.761 12.779 14.344 1.00 0.00 C ATOM 600 CD GLU A 40 2.438 14.136 14.548 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.699 15.144 14.554 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.680 14.134 14.694 1.00 0.00 O ATOM 0 H GLU A 40 1.575 13.658 10.657 1.00 0.00 H new ATOM 0 HA GLU A 40 3.490 13.102 12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.758 13.298 12.506 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.959 11.573 12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.839 12.738 14.923 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.408 11.986 14.718 1.00 0.00 H new ATOM 609 N ILE A 41 2.701 10.565 10.690 1.00 0.00 N ATOM 610 CA ILE A 41 3.090 9.219 10.305 1.00 0.00 C ATOM 611 C ILE A 41 4.553 9.224 9.857 1.00 0.00 C ATOM 612 O ILE A 41 5.371 8.475 10.388 1.00 0.00 O ATOM 613 CB ILE A 41 2.127 8.663 9.254 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.713 8.528 9.823 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.644 7.341 8.682 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.339 8.744 8.733 1.00 0.00 C ATOM 0 H ILE A 41 1.998 10.994 10.089 1.00 0.00 H new ATOM 0 HA ILE A 41 3.020 8.544 11.158 1.00 0.00 H new ATOM 0 HB ILE A 41 2.075 9.373 8.428 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.587 7.539 10.264 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.568 9.254 10.623 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.941 6.967 7.937 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.616 7.502 8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.744 6.611 9.485 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.335 8.643 9.164 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.226 9.743 8.311 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.206 8.001 7.947 1.00 0.00 H new ATOM 628 N GLY A 42 4.838 10.078 8.884 1.00 0.00 N ATOM 629 CA GLY A 42 6.188 10.191 8.359 1.00 0.00 C ATOM 630 C GLY A 42 7.218 10.193 9.490 1.00 0.00 C ATOM 631 O GLY A 42 8.330 9.695 9.322 1.00 0.00 O ATOM 0 H GLY A 42 4.157 10.698 8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.389 9.362 7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.280 11.108 7.777 1.00 0.00 H new ATOM 635 N SER A 43 6.811 10.759 10.616 1.00 0.00 N ATOM 636 CA SER A 43 7.685 10.833 11.775 1.00 0.00 C ATOM 637 C SER A 43 7.853 9.444 12.393 1.00 0.00 C ATOM 638 O SER A 43 8.975 8.975 12.578 1.00 0.00 O ATOM 639 CB SER A 43 7.139 11.814 12.815 1.00 0.00 C ATOM 640 OG SER A 43 8.174 12.594 13.407 1.00 0.00 O ATOM 0 H SER A 43 5.888 11.171 10.751 1.00 0.00 H new ATOM 0 HA SER A 43 8.658 11.198 11.447 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.411 12.475 12.344 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.611 11.262 13.593 1.00 0.00 H new ATOM 0 HG SER A 43 7.785 13.209 14.064 1.00 0.00 H new ATOM 646 N ARG A 44 6.722 8.824 12.694 1.00 0.00 N ATOM 647 CA ARG A 44 6.730 7.497 13.287 1.00 0.00 C ATOM 648 C ARG A 44 7.536 6.532 12.416 1.00 0.00 C ATOM 649 O ARG A 44 8.327 5.741 12.928 1.00 0.00 O ATOM 650 CB ARG A 44 5.308 6.959 13.452 1.00 0.00 C ATOM 651 CG ARG A 44 4.521 7.790 14.467 1.00 0.00 C ATOM 652 CD ARG A 44 3.486 6.930 15.196 1.00 0.00 C ATOM 653 NE ARG A 44 4.090 6.330 16.407 1.00 0.00 N ATOM 654 CZ ARG A 44 3.525 5.345 17.118 1.00 0.00 C ATOM 655 NH1 ARG A 44 2.340 4.844 16.745 1.00 0.00 N ATOM 656 NH2 ARG A 44 4.146 4.862 18.203 1.00 0.00 N ATOM 0 H ARG A 44 5.793 9.216 12.538 1.00 0.00 H new ATOM 0 HA ARG A 44 7.192 7.576 14.271 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.796 6.974 12.490 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.344 5.920 13.778 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.207 8.231 15.190 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.021 8.614 13.958 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.625 7.539 15.472 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.122 6.145 14.534 1.00 0.00 H new ATOM 0 HE ARG A 44 4.992 6.689 16.719 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.868 5.212 15.919 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.910 4.094 17.286 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.048 5.244 18.487 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.717 4.112 18.745 1.00 0.00 H new ATOM 670 N TRP A 45 7.308 6.628 11.114 1.00 0.00 N ATOM 671 CA TRP A 45 8.002 5.772 10.167 1.00 0.00 C ATOM 672 C TRP A 45 9.497 6.087 10.255 1.00 0.00 C ATOM 673 O TRP A 45 10.333 5.229 9.976 1.00 0.00 O ATOM 674 CB TRP A 45 7.437 5.944 8.756 1.00 0.00 C ATOM 675 CG TRP A 45 8.288 5.296 7.662 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.245 5.865 6.916 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.220 3.925 7.218 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.796 4.965 6.027 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.153 3.747 6.217 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.397 2.869 7.649 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.352 2.526 5.562 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.608 1.655 6.984 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.543 1.460 5.975 1.00 0.00 C ATOM 0 H TRP A 45 6.652 7.286 10.693 1.00 0.00 H new ATOM 0 HA TRP A 45 7.852 4.721 10.414 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.434 5.518 8.723 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.338 7.008 8.543 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.547 6.898 7.000 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.538 5.158 5.354 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.661 2.985 8.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.089 2.412 4.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 7.001 0.811 7.276 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.646 0.490 5.511 1.00 0.00 H new ATOM 694 N GLN A 46 9.788 7.320 10.644 1.00 0.00 N ATOM 695 CA GLN A 46 11.168 7.758 10.772 1.00 0.00 C ATOM 696 C GLN A 46 11.746 7.307 12.115 1.00 0.00 C ATOM 697 O GLN A 46 12.939 7.466 12.366 1.00 0.00 O ATOM 698 CB GLN A 46 11.278 9.275 10.609 1.00 0.00 C ATOM 699 CG GLN A 46 11.670 9.646 9.177 1.00 0.00 C ATOM 700 CD GLN A 46 13.113 10.152 9.117 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.419 11.276 9.480 1.00 0.00 O ATOM 702 NE2 GLN A 46 13.979 9.262 8.640 1.00 0.00 N ATOM 0 H GLN A 46 9.092 8.029 10.875 1.00 0.00 H new ATOM 0 HA GLN A 46 11.751 7.296 9.975 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.326 9.741 10.862 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.019 9.666 11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.558 8.777 8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.995 10.414 8.799 1.00 0.00 H new ATOM 0 HE21 GLN A 46 13.655 8.338 8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.967 9.504 8.560 1.00 0.00 H new ATOM 711 N ARG A 47 10.872 6.754 12.943 1.00 0.00 N ATOM 712 CA ARG A 47 11.281 6.279 14.254 1.00 0.00 C ATOM 713 C ARG A 47 11.641 4.793 14.192 1.00 0.00 C ATOM 714 O ARG A 47 12.670 4.378 14.722 1.00 0.00 O ATOM 715 CB ARG A 47 10.169 6.485 15.285 1.00 0.00 C ATOM 716 CG ARG A 47 10.002 7.967 15.623 1.00 0.00 C ATOM 717 CD ARG A 47 8.754 8.198 16.478 1.00 0.00 C ATOM 718 NE ARG A 47 9.071 7.973 17.906 1.00 0.00 N ATOM 719 CZ ARG A 47 8.936 6.795 18.529 1.00 0.00 C ATOM 720 NH1 ARG A 47 8.491 5.727 17.853 1.00 0.00 N ATOM 721 NH2 ARG A 47 9.247 6.684 19.828 1.00 0.00 N ATOM 0 H ARG A 47 9.883 6.624 12.732 1.00 0.00 H new ATOM 0 HA ARG A 47 12.155 6.855 14.558 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.231 6.089 14.897 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.400 5.926 16.191 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.883 8.323 16.156 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.929 8.547 14.703 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.387 9.214 16.334 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.957 7.524 16.163 1.00 0.00 H new ATOM 0 HE ARG A 47 9.414 8.765 18.450 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.255 5.811 16.864 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.388 4.830 18.327 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.587 7.497 20.342 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.144 5.787 20.302 1.00 0.00 H new ATOM 735 N ILE A 48 10.773 4.033 13.541 1.00 0.00 N ATOM 736 CA ILE A 48 10.987 2.603 13.402 1.00 0.00 C ATOM 737 C ILE A 48 12.414 2.350 12.914 1.00 0.00 C ATOM 738 O ILE A 48 13.163 3.292 12.660 1.00 0.00 O ATOM 739 CB ILE A 48 9.912 1.984 12.506 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.815 2.728 11.173 1.00 0.00 C ATOM 741 CG2 ILE A 48 8.564 1.925 13.228 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.841 2.027 10.223 1.00 0.00 C ATOM 0 H ILE A 48 9.920 4.381 13.104 1.00 0.00 H new ATOM 0 HA ILE A 48 10.887 2.108 14.368 1.00 0.00 H new ATOM 0 HB ILE A 48 10.203 0.958 12.282 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.485 3.752 11.347 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.801 2.785 10.712 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.818 1.481 12.569 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.660 1.319 14.129 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.253 2.933 13.501 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.791 2.576 9.283 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.187 1.011 10.032 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.851 1.993 10.677 1.00 0.00 H new ATOM 754 N SER A 49 12.749 1.073 12.798 1.00 0.00 N ATOM 755 CA SER A 49 14.073 0.684 12.345 1.00 0.00 C ATOM 756 C SER A 49 13.971 -0.083 11.025 1.00 0.00 C ATOM 757 O SER A 49 12.886 -0.205 10.457 1.00 0.00 O ATOM 758 CB SER A 49 14.788 -0.165 13.398 1.00 0.00 C ATOM 759 OG SER A 49 16.068 0.365 13.732 1.00 0.00 O ATOM 0 H SER A 49 12.125 0.294 13.010 1.00 0.00 H new ATOM 0 HA SER A 49 14.660 1.589 12.187 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.173 -0.222 14.296 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.903 -1.183 13.026 1.00 0.00 H new ATOM 0 HG SER A 49 16.491 -0.204 14.408 1.00 0.00 H new ATOM 765 N GLN A 50 15.114 -0.579 10.576 1.00 0.00 N ATOM 766 CA GLN A 50 15.166 -1.331 9.333 1.00 0.00 C ATOM 767 C GLN A 50 14.192 -2.510 9.385 1.00 0.00 C ATOM 768 O GLN A 50 13.349 -2.662 8.502 1.00 0.00 O ATOM 769 CB GLN A 50 16.590 -1.808 9.041 1.00 0.00 C ATOM 770 CG GLN A 50 16.659 -2.537 7.697 1.00 0.00 C ATOM 771 CD GLN A 50 16.338 -1.587 6.541 1.00 0.00 C ATOM 772 OE1 GLN A 50 17.184 -0.860 6.048 1.00 0.00 O ATOM 773 NE2 GLN A 50 15.071 -1.633 6.139 1.00 0.00 N ATOM 0 H GLN A 50 16.011 -0.475 11.050 1.00 0.00 H new ATOM 0 HA GLN A 50 14.865 -0.672 8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 50 17.268 -0.955 9.031 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.925 -2.473 9.837 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.654 -2.960 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.956 -3.370 7.694 1.00 0.00 H new ATOM 0 HE21 GLN A 50 14.414 -2.265 6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.757 -1.036 5.374 1.00 0.00 H new ATOM 782 N SER A 51 14.341 -3.314 10.427 1.00 0.00 N ATOM 783 CA SER A 51 13.485 -4.475 10.605 1.00 0.00 C ATOM 784 C SER A 51 12.052 -4.136 10.192 1.00 0.00 C ATOM 785 O SER A 51 11.411 -4.902 9.473 1.00 0.00 O ATOM 786 CB SER A 51 13.518 -4.967 12.053 1.00 0.00 C ATOM 787 OG SER A 51 13.365 -6.381 12.141 1.00 0.00 O ATOM 0 H SER A 51 15.042 -3.185 11.157 1.00 0.00 H new ATOM 0 HA SER A 51 13.860 -5.277 9.969 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.462 -4.675 12.513 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.724 -4.481 12.619 1.00 0.00 H new ATOM 0 HG SER A 51 13.393 -6.655 13.081 1.00 0.00 H new ATOM 793 N GLN A 52 11.590 -2.987 10.663 1.00 0.00 N ATOM 794 CA GLN A 52 10.244 -2.538 10.352 1.00 0.00 C ATOM 795 C GLN A 52 10.117 -2.236 8.857 1.00 0.00 C ATOM 796 O GLN A 52 9.299 -2.840 8.165 1.00 0.00 O ATOM 797 CB GLN A 52 9.865 -1.316 11.192 1.00 0.00 C ATOM 798 CG GLN A 52 9.912 -1.642 12.686 1.00 0.00 C ATOM 799 CD GLN A 52 8.502 -1.803 13.256 1.00 0.00 C ATOM 800 OE1 GLN A 52 7.969 -0.928 13.920 1.00 0.00 O ATOM 801 NE2 GLN A 52 7.928 -2.966 12.962 1.00 0.00 N ATOM 0 H GLN A 52 12.124 -2.354 11.258 1.00 0.00 H new ATOM 0 HA GLN A 52 9.548 -3.339 10.602 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.547 -0.494 10.974 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.864 -0.980 10.921 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.479 -2.559 12.844 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.435 -0.848 13.219 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.430 -3.655 12.402 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.986 -3.169 13.297 1.00 0.00 H new ATOM 810 N LYS A 53 10.939 -1.301 8.403 1.00 0.00 N ATOM 811 CA LYS A 53 10.930 -0.912 7.003 1.00 0.00 C ATOM 812 C LYS A 53 10.999 -2.166 6.129 1.00 0.00 C ATOM 813 O LYS A 53 10.274 -2.280 5.143 1.00 0.00 O ATOM 814 CB LYS A 53 12.044 0.098 6.720 1.00 0.00 C ATOM 815 CG LYS A 53 11.841 1.380 7.530 1.00 0.00 C ATOM 816 CD LYS A 53 13.071 2.285 7.442 1.00 0.00 C ATOM 817 CE LYS A 53 12.668 3.761 7.450 1.00 0.00 C ATOM 818 NZ LYS A 53 13.365 4.494 6.370 1.00 0.00 N ATOM 0 H LYS A 53 11.616 -0.801 8.980 1.00 0.00 H new ATOM 0 HA LYS A 53 9.999 -0.402 6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.010 -0.343 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.063 0.335 5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.965 1.913 7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.644 1.129 8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.737 2.082 8.281 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.627 2.061 6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.589 3.850 7.321 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.911 4.205 8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.080 5.494 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.393 4.424 6.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.112 4.080 5.450 1.00 0.00 H new ATOM 832 N GLU A 54 11.880 -3.075 6.523 1.00 0.00 N ATOM 833 CA GLU A 54 12.054 -4.316 5.788 1.00 0.00 C ATOM 834 C GLU A 54 10.780 -5.160 5.863 1.00 0.00 C ATOM 835 O GLU A 54 10.173 -5.467 4.838 1.00 0.00 O ATOM 836 CB GLU A 54 13.261 -5.097 6.309 1.00 0.00 C ATOM 837 CG GLU A 54 14.506 -4.809 5.468 1.00 0.00 C ATOM 838 CD GLU A 54 14.766 -5.938 4.468 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.083 -5.937 3.421 1.00 0.00 O ATOM 840 OE2 GLU A 54 15.641 -6.776 4.773 1.00 0.00 O ATOM 0 H GLU A 54 12.480 -2.976 7.342 1.00 0.00 H new ATOM 0 HA GLU A 54 12.244 -4.073 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.450 -4.830 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 54 13.044 -6.165 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.378 -3.867 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.371 -4.690 6.121 1.00 0.00 H new ATOM 847 N HIS A 55 10.412 -5.512 7.086 1.00 0.00 N ATOM 848 CA HIS A 55 9.222 -6.314 7.308 1.00 0.00 C ATOM 849 C HIS A 55 8.048 -5.719 6.527 1.00 0.00 C ATOM 850 O HIS A 55 7.537 -6.342 5.598 1.00 0.00 O ATOM 851 CB HIS A 55 8.930 -6.451 8.804 1.00 0.00 C ATOM 852 CG HIS A 55 7.745 -7.333 9.120 1.00 0.00 C ATOM 853 ND1 HIS A 55 7.673 -8.659 8.732 1.00 0.00 N ATOM 854 CD2 HIS A 55 6.588 -7.064 9.791 1.00 0.00 C ATOM 855 CE1 HIS A 55 6.521 -9.157 9.156 1.00 0.00 C ATOM 856 NE2 HIS A 55 5.850 -8.167 9.811 1.00 0.00 N ATOM 0 H HIS A 55 10.918 -5.256 7.934 1.00 0.00 H new ATOM 0 HA HIS A 55 9.386 -7.325 6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.813 -6.854 9.301 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.754 -5.460 9.222 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.319 -6.115 10.231 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.174 -10.169 9.009 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.932 -8.259 10.245 1.00 0.00 H new ATOM 864 N TYR A 56 7.656 -4.520 6.932 1.00 0.00 N ATOM 865 CA TYR A 56 6.553 -3.834 6.282 1.00 0.00 C ATOM 866 C TYR A 56 6.696 -3.886 4.759 1.00 0.00 C ATOM 867 O TYR A 56 5.779 -4.312 4.060 1.00 0.00 O ATOM 868 CB TYR A 56 6.633 -2.377 6.741 1.00 0.00 C ATOM 869 CG TYR A 56 6.011 -2.123 8.116 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.681 -2.418 8.337 1.00 0.00 C ATOM 871 CD2 TYR A 56 6.780 -1.597 9.134 1.00 0.00 C ATOM 872 CE1 TYR A 56 4.096 -2.179 9.630 1.00 0.00 C ATOM 873 CE2 TYR A 56 6.195 -1.358 10.428 1.00 0.00 C ATOM 874 CZ TYR A 56 4.882 -1.660 10.612 1.00 0.00 C ATOM 875 OH TYR A 56 4.329 -1.434 11.834 1.00 0.00 O ATOM 0 H TYR A 56 8.083 -4.006 7.703 1.00 0.00 H new ATOM 0 HA TYR A 56 5.603 -4.302 6.542 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.679 -2.071 6.765 1.00 0.00 H new ATOM 0 HB3 TYR A 56 6.133 -1.747 6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.079 -2.828 7.540 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.820 -1.365 8.960 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.057 -2.406 9.817 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.786 -0.948 11.234 1.00 0.00 H new ATOM 0 HH TYR A 56 5.007 -1.063 12.436 1.00 0.00 H new ATOM 885 N LYS A 57 7.855 -3.445 4.291 1.00 0.00 N ATOM 886 CA LYS A 57 8.130 -3.435 2.864 1.00 0.00 C ATOM 887 C LYS A 57 7.850 -4.823 2.286 1.00 0.00 C ATOM 888 O LYS A 57 7.246 -4.946 1.222 1.00 0.00 O ATOM 889 CB LYS A 57 9.550 -2.932 2.596 1.00 0.00 C ATOM 890 CG LYS A 57 9.847 -2.902 1.096 1.00 0.00 C ATOM 891 CD LYS A 57 10.853 -1.800 0.757 1.00 0.00 C ATOM 892 CE LYS A 57 12.288 -2.282 0.977 1.00 0.00 C ATOM 893 NZ LYS A 57 13.211 -1.608 0.036 1.00 0.00 N ATOM 0 H LYS A 57 8.614 -3.092 4.874 1.00 0.00 H new ATOM 0 HA LYS A 57 7.467 -2.737 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.671 -1.933 3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.269 -3.577 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.241 -3.868 0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.923 -2.738 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.724 -1.491 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.661 -0.924 1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.593 -2.078 2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.341 -3.362 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.181 -1.946 0.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.929 -1.823 -0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.173 -0.580 0.189 1.00 0.00 H new ATOM 907 N LYS A 58 8.304 -5.835 3.012 1.00 0.00 N ATOM 908 CA LYS A 58 8.110 -7.210 2.584 1.00 0.00 C ATOM 909 C LYS A 58 6.611 -7.508 2.505 1.00 0.00 C ATOM 910 O LYS A 58 6.114 -7.937 1.465 1.00 0.00 O ATOM 911 CB LYS A 58 8.880 -8.168 3.495 1.00 0.00 C ATOM 912 CG LYS A 58 8.440 -9.615 3.266 1.00 0.00 C ATOM 913 CD LYS A 58 7.370 -10.030 4.278 1.00 0.00 C ATOM 914 CE LYS A 58 7.886 -9.888 5.711 1.00 0.00 C ATOM 915 NZ LYS A 58 7.845 -11.193 6.408 1.00 0.00 N ATOM 0 H LYS A 58 8.806 -5.730 3.894 1.00 0.00 H new ATOM 0 HA LYS A 58 8.519 -7.359 1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.949 -8.075 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.716 -7.895 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.050 -9.724 2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.301 -10.278 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.481 -9.414 4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.073 -11.063 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.907 -9.507 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.280 -9.161 6.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.199 -11.079 7.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.866 -11.542 6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.442 -11.877 5.900 1.00 0.00 H new ATOM 929 N LEU A 59 5.933 -7.269 3.618 1.00 0.00 N ATOM 930 CA LEU A 59 4.501 -7.506 3.687 1.00 0.00 C ATOM 931 C LEU A 59 3.837 -6.966 2.420 1.00 0.00 C ATOM 932 O LEU A 59 3.108 -7.687 1.740 1.00 0.00 O ATOM 933 CB LEU A 59 3.924 -6.926 4.980 1.00 0.00 C ATOM 934 CG LEU A 59 4.508 -7.476 6.282 1.00 0.00 C ATOM 935 CD1 LEU A 59 4.087 -6.619 7.478 1.00 0.00 C ATOM 936 CD2 LEU A 59 4.135 -8.947 6.472 1.00 0.00 C ATOM 0 H LEU A 59 6.349 -6.914 4.479 1.00 0.00 H new ATOM 0 HA LEU A 59 4.293 -8.575 3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.071 -5.846 4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.848 -7.102 4.985 1.00 0.00 H new ATOM 0 HG LEU A 59 5.595 -7.425 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.516 -7.032 8.391 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.445 -5.599 7.339 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.000 -6.614 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.563 -9.313 7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.050 -9.046 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.526 -9.532 5.639 1.00 0.00 H new ATOM 948 N ALA A 60 4.112 -5.700 2.139 1.00 0.00 N ATOM 949 CA ALA A 60 3.550 -5.055 0.965 1.00 0.00 C ATOM 950 C ALA A 60 3.632 -6.011 -0.226 1.00 0.00 C ATOM 951 O ALA A 60 2.648 -6.209 -0.937 1.00 0.00 O ATOM 952 CB ALA A 60 4.283 -3.737 0.707 1.00 0.00 C ATOM 0 H ALA A 60 4.717 -5.104 2.705 1.00 0.00 H new ATOM 0 HA ALA A 60 2.498 -4.817 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.862 -3.253 -0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.169 -3.082 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.342 -3.936 0.540 1.00 0.00 H new ATOM 958 N GLU A 61 4.815 -6.580 -0.407 1.00 0.00 N ATOM 959 CA GLU A 61 5.038 -7.511 -1.500 1.00 0.00 C ATOM 960 C GLU A 61 4.028 -8.658 -1.434 1.00 0.00 C ATOM 961 O GLU A 61 3.516 -9.099 -2.463 1.00 0.00 O ATOM 962 CB GLU A 61 6.473 -8.042 -1.483 1.00 0.00 C ATOM 963 CG GLU A 61 7.467 -6.925 -1.163 1.00 0.00 C ATOM 964 CD GLU A 61 8.838 -7.218 -1.778 1.00 0.00 C ATOM 965 OE1 GLU A 61 9.220 -8.408 -1.771 1.00 0.00 O ATOM 966 OE2 GLU A 61 9.471 -6.245 -2.242 1.00 0.00 O ATOM 0 H GLU A 61 5.629 -6.414 0.185 1.00 0.00 H new ATOM 0 HA GLU A 61 4.893 -6.979 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.562 -8.836 -0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.713 -8.481 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.089 -5.976 -1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.564 -6.818 -0.083 1.00 0.00 H new ATOM 973 N GLU A 62 3.771 -9.109 -0.215 1.00 0.00 N ATOM 974 CA GLU A 62 2.831 -10.197 -0.003 1.00 0.00 C ATOM 975 C GLU A 62 1.404 -9.730 -0.298 1.00 0.00 C ATOM 976 O GLU A 62 0.593 -10.494 -0.820 1.00 0.00 O ATOM 977 CB GLU A 62 2.943 -10.748 1.420 1.00 0.00 C ATOM 978 CG GLU A 62 1.875 -11.812 1.682 1.00 0.00 C ATOM 979 CD GLU A 62 2.374 -13.201 1.280 1.00 0.00 C ATOM 980 OE1 GLU A 62 3.561 -13.480 1.556 1.00 0.00 O ATOM 981 OE2 GLU A 62 1.557 -13.953 0.706 1.00 0.00 O ATOM 0 H GLU A 62 4.197 -8.741 0.636 1.00 0.00 H new ATOM 0 HA GLU A 62 3.079 -11.005 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.934 -11.177 1.571 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.835 -9.935 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.606 -11.810 2.738 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.971 -11.570 1.123 1.00 0.00 H new ATOM 988 N GLN A 63 1.141 -8.479 0.048 1.00 0.00 N ATOM 989 CA GLN A 63 -0.174 -7.902 -0.174 1.00 0.00 C ATOM 990 C GLN A 63 -0.497 -7.875 -1.670 1.00 0.00 C ATOM 991 O GLN A 63 -1.565 -8.321 -2.085 1.00 0.00 O ATOM 992 CB GLN A 63 -0.267 -6.500 0.431 1.00 0.00 C ATOM 993 CG GLN A 63 -0.928 -6.541 1.811 1.00 0.00 C ATOM 994 CD GLN A 63 -1.803 -5.306 2.036 1.00 0.00 C ATOM 995 OE1 GLN A 63 -1.383 -4.311 2.603 1.00 0.00 O ATOM 996 NE2 GLN A 63 -3.040 -5.425 1.562 1.00 0.00 N ATOM 0 H GLN A 63 1.816 -7.848 0.481 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.912 -8.528 0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.731 -6.069 0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.840 -5.851 -0.232 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.534 -7.442 1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.161 -6.594 2.584 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.327 -6.286 1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.701 -4.655 1.663 1.00 0.00 H new ATOM 1005 N GLN A 64 0.446 -7.348 -2.437 1.00 0.00 N ATOM 1006 CA GLN A 64 0.275 -7.258 -3.877 1.00 0.00 C ATOM 1007 C GLN A 64 0.290 -8.654 -4.502 1.00 0.00 C ATOM 1008 O GLN A 64 -0.371 -8.893 -5.512 1.00 0.00 O ATOM 1009 CB GLN A 64 1.350 -6.366 -4.502 1.00 0.00 C ATOM 1010 CG GLN A 64 1.324 -4.964 -3.890 1.00 0.00 C ATOM 1011 CD GLN A 64 2.422 -4.084 -4.489 1.00 0.00 C ATOM 1012 OE1 GLN A 64 2.376 -3.687 -5.642 1.00 0.00 O ATOM 1013 NE2 GLN A 64 3.410 -3.801 -3.644 1.00 0.00 N ATOM 0 H GLN A 64 1.331 -6.979 -2.088 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.693 -6.801 -4.080 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.332 -6.814 -4.351 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.192 -6.300 -5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.350 -4.506 -4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.456 -5.032 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.387 -4.166 -2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 64 4.191 -3.219 -3.948 1.00 0.00 H new ATOM 1022 N ARG A 65 1.050 -9.540 -3.875 1.00 0.00 N ATOM 1023 CA ARG A 65 1.159 -10.907 -4.357 1.00 0.00 C ATOM 1024 C ARG A 65 -0.231 -11.492 -4.611 1.00 0.00 C ATOM 1025 O ARG A 65 -0.459 -12.139 -5.633 1.00 0.00 O ATOM 1026 CB ARG A 65 1.900 -11.788 -3.350 1.00 0.00 C ATOM 1027 CG ARG A 65 1.203 -13.141 -3.189 1.00 0.00 C ATOM 1028 CD ARG A 65 2.077 -14.117 -2.399 1.00 0.00 C ATOM 1029 NE ARG A 65 1.227 -15.109 -1.703 1.00 0.00 N ATOM 1030 CZ ARG A 65 0.766 -16.233 -2.270 1.00 0.00 C ATOM 1031 NH1 ARG A 65 1.071 -16.514 -3.544 1.00 0.00 N ATOM 1032 NH2 ARG A 65 0.000 -17.075 -1.563 1.00 0.00 N ATOM 0 H ARG A 65 1.596 -9.338 -3.038 1.00 0.00 H new ATOM 0 HA ARG A 65 1.724 -10.887 -5.289 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.927 -11.941 -3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.948 -11.283 -2.385 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.250 -13.005 -2.678 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.981 -13.559 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.768 -14.626 -3.072 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.682 -13.572 -1.674 1.00 0.00 H new ATOM 0 HE ARG A 65 0.976 -14.926 -0.731 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.654 -15.873 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.720 -17.369 -3.976 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.232 -16.861 -0.593 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.351 -17.930 -1.995 1.00 0.00 H new ATOM 1046 N GLN A 66 -1.125 -11.245 -3.665 1.00 0.00 N ATOM 1047 CA GLN A 66 -2.487 -11.740 -3.774 1.00 0.00 C ATOM 1048 C GLN A 66 -3.263 -10.932 -4.817 1.00 0.00 C ATOM 1049 O GLN A 66 -3.975 -11.501 -5.644 1.00 0.00 O ATOM 1050 CB GLN A 66 -3.193 -11.705 -2.417 1.00 0.00 C ATOM 1051 CG GLN A 66 -2.691 -12.830 -1.509 1.00 0.00 C ATOM 1052 CD GLN A 66 -3.330 -12.741 -0.122 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -4.234 -13.484 0.222 1.00 0.00 O ATOM 1054 NE2 GLN A 66 -2.810 -11.793 0.653 1.00 0.00 N ATOM 0 H GLN A 66 -0.933 -10.708 -2.819 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.451 -12.779 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.020 -10.741 -1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.269 -11.801 -2.560 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.922 -13.796 -1.959 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.606 -12.772 -1.418 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.054 -11.205 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.167 -11.654 1.598 1.00 0.00 H new ATOM 1063 N TYR A 67 -3.100 -9.619 -4.743 1.00 0.00 N ATOM 1064 CA TYR A 67 -3.777 -8.728 -5.670 1.00 0.00 C ATOM 1065 C TYR A 67 -3.469 -9.109 -7.120 1.00 0.00 C ATOM 1066 O TYR A 67 -4.251 -8.813 -8.022 1.00 0.00 O ATOM 1067 CB TYR A 67 -3.221 -7.330 -5.393 1.00 0.00 C ATOM 1068 CG TYR A 67 -3.588 -6.293 -6.456 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -3.047 -6.382 -7.723 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -4.459 -5.268 -6.148 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -3.393 -5.405 -8.723 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -4.804 -4.291 -7.149 1.00 0.00 C ATOM 1073 CZ TYR A 67 -4.254 -4.408 -8.387 1.00 0.00 C ATOM 1074 OH TYR A 67 -4.580 -3.486 -9.332 1.00 0.00 O ATOM 0 H TYR A 67 -2.509 -9.151 -4.056 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.857 -8.782 -5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.589 -6.989 -4.425 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.135 -7.390 -5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.365 -7.184 -7.964 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.882 -5.198 -5.157 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.977 -5.463 -9.718 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -5.484 -3.484 -6.921 1.00 0.00 H new ATOM 0 HH TYR A 67 -5.205 -2.834 -8.951 1.00 0.00 H new ATOM 1084 N LYS A 68 -2.329 -9.759 -7.298 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.908 -10.183 -8.623 1.00 0.00 C ATOM 1086 C LYS A 68 -2.922 -11.185 -9.179 1.00 0.00 C ATOM 1087 O LYS A 68 -3.446 -10.999 -10.276 1.00 0.00 O ATOM 1088 CB LYS A 68 -0.474 -10.716 -8.585 1.00 0.00 C ATOM 1089 CG LYS A 68 0.537 -9.567 -8.569 1.00 0.00 C ATOM 1090 CD LYS A 68 1.463 -9.636 -9.784 1.00 0.00 C ATOM 1091 CE LYS A 68 2.100 -8.273 -10.066 1.00 0.00 C ATOM 1092 NZ LYS A 68 3.554 -8.419 -10.300 1.00 0.00 N ATOM 0 H LYS A 68 -1.683 -10.003 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.890 -9.334 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.337 -11.338 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.295 -11.351 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.009 -8.613 -8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.128 -9.610 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.243 -10.377 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.900 -9.966 -10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.629 -7.818 -10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.927 -7.603 -9.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.971 -7.485 -10.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.001 -8.833 -9.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.713 -9.042 -11.118 1.00 0.00 H new ATOM 1106 N VAL A 69 -3.167 -12.226 -8.396 1.00 0.00 N ATOM 1107 CA VAL A 69 -4.109 -13.258 -8.796 1.00 0.00 C ATOM 1108 C VAL A 69 -5.522 -12.671 -8.820 1.00 0.00 C ATOM 1109 O VAL A 69 -6.297 -12.947 -9.734 1.00 0.00 O ATOM 1110 CB VAL A 69 -3.980 -14.470 -7.873 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -2.533 -14.658 -7.412 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -4.925 -14.350 -6.676 1.00 0.00 C ATOM 0 H VAL A 69 -2.730 -12.377 -7.487 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.886 -13.609 -9.804 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.268 -15.355 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.470 -15.527 -6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.892 -14.811 -8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.205 -13.771 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.814 -15.225 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.682 -13.451 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.954 -14.288 -7.030 1.00 0.00 H new ATOM 1122 N HIS A 70 -5.813 -11.873 -7.804 1.00 0.00 N ATOM 1123 CA HIS A 70 -7.120 -11.245 -7.696 1.00 0.00 C ATOM 1124 C HIS A 70 -7.498 -10.615 -9.038 1.00 0.00 C ATOM 1125 O HIS A 70 -8.659 -10.655 -9.442 1.00 0.00 O ATOM 1126 CB HIS A 70 -7.147 -10.242 -6.541 1.00 0.00 C ATOM 1127 CG HIS A 70 -6.872 -10.855 -5.189 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -6.573 -12.139 -4.836 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.890 -10.122 -4.016 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -6.415 -12.186 -3.519 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -6.612 -10.937 -3.009 1.00 0.00 N flip ATOM 0 H HIS A 70 -5.167 -11.646 -7.048 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.872 -11.999 -7.463 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.409 -9.463 -6.732 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.123 -9.757 -6.517 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.096 -9.065 -3.935 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.171 -13.068 -2.946 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.555 -10.676 -2.025 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.495 -10.046 -9.692 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.708 -9.408 -10.980 1.00 0.00 C ATOM 1141 C LEU A 71 -7.221 -10.446 -11.980 1.00 0.00 C ATOM 1142 O LEU A 71 -8.045 -10.133 -12.837 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.438 -8.688 -11.437 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.639 -7.532 -12.420 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.511 -6.435 -11.805 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.296 -6.989 -12.910 1.00 0.00 C ATOM 0 H LEU A 71 -5.533 -10.014 -9.354 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.473 -8.636 -10.901 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.925 -8.304 -10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.775 -9.420 -11.898 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.169 -7.914 -13.292 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.638 -5.626 -12.524 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.486 -6.848 -11.547 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.030 -6.049 -10.906 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.468 -6.169 -13.607 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.718 -6.628 -12.060 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.744 -7.783 -13.413 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.711 -11.660 -11.837 1.00 0.00 N ATOM 1159 CA ASP A 72 -7.107 -12.746 -12.718 1.00 0.00 C ATOM 1160 C ASP A 72 -8.489 -13.256 -12.302 1.00 0.00 C ATOM 1161 O ASP A 72 -9.316 -13.581 -13.152 1.00 0.00 O ATOM 1162 CB ASP A 72 -6.125 -13.916 -12.626 1.00 0.00 C ATOM 1163 CG ASP A 72 -5.424 -14.275 -13.938 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.465 -13.426 -14.855 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -4.863 -15.391 -13.995 1.00 0.00 O ATOM 0 H ASP A 72 -6.027 -11.916 -11.125 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.119 -12.364 -13.739 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.367 -13.677 -11.880 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.661 -14.794 -12.266 1.00 0.00 H new ATOM 1170 N LEU A 73 -8.695 -13.311 -10.994 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.962 -13.776 -10.456 1.00 0.00 C ATOM 1172 C LEU A 73 -11.083 -12.847 -10.925 1.00 0.00 C ATOM 1173 O LEU A 73 -12.218 -13.283 -11.113 1.00 0.00 O ATOM 1174 CB LEU A 73 -9.877 -13.918 -8.935 1.00 0.00 C ATOM 1175 CG LEU A 73 -8.608 -14.578 -8.392 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -8.790 -14.997 -6.932 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -8.179 -15.751 -9.276 1.00 0.00 C ATOM 0 H LEU A 73 -8.006 -13.041 -10.292 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.194 -14.771 -10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.965 -12.926 -8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.737 -14.496 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.803 -13.844 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.874 -15.463 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.013 -14.119 -6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.613 -15.708 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.275 -16.202 -8.868 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.975 -16.495 -9.305 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.981 -15.392 -10.286 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.725 -11.583 -11.102 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.687 -10.589 -11.546 1.00 0.00 C ATOM 1191 C TRP A 74 -12.003 -10.861 -13.018 1.00 0.00 C ATOM 1192 O TRP A 74 -13.121 -10.621 -13.471 1.00 0.00 O ATOM 1193 CB TRP A 74 -11.164 -9.172 -11.299 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.833 -8.102 -12.165 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.959 -7.421 -11.912 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.368 -7.616 -13.442 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.253 -6.535 -12.928 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.254 -6.657 -13.888 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.235 -7.973 -14.194 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.101 -5.977 -15.102 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.096 -7.285 -15.405 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -10.980 -6.317 -15.869 1.00 0.00 C ATOM 0 H TRP A 74 -9.783 -11.225 -10.946 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.611 -10.663 -10.972 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -11.311 -8.919 -10.249 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -10.090 -9.155 -11.483 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.561 -7.550 -11.024 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.055 -5.906 -12.968 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.528 -8.719 -13.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -12.809 -5.230 -15.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.242 -7.523 -16.022 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -10.803 -5.830 -16.816 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.999 -11.359 -13.723 1.00 0.00 N ATOM 1214 CA VAL A 75 -11.156 -11.667 -15.135 1.00 0.00 C ATOM 1215 C VAL A 75 -12.119 -12.845 -15.291 1.00 0.00 C ATOM 1216 O VAL A 75 -13.065 -12.779 -16.074 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.788 -11.924 -15.770 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.935 -12.615 -17.127 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.990 -10.625 -15.899 1.00 0.00 C ATOM 0 H VAL A 75 -10.073 -11.557 -13.344 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.591 -10.820 -15.665 1.00 0.00 H new ATOM 0 HB VAL A 75 -9.233 -12.593 -15.112 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.948 -12.786 -17.557 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.444 -13.570 -16.996 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.518 -11.982 -17.796 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.022 -10.836 -16.353 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.539 -9.921 -16.525 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.840 -10.191 -14.911 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.844 -13.897 -14.534 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.675 -15.089 -14.578 1.00 0.00 C ATOM 1231 C LYS A 76 -14.140 -14.692 -14.388 1.00 0.00 C ATOM 1232 O LYS A 76 -15.042 -15.426 -14.787 1.00 0.00 O ATOM 1233 CB LYS A 76 -12.181 -16.124 -13.565 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.747 -16.557 -13.878 1.00 0.00 C ATOM 1235 CD LYS A 76 -10.103 -17.235 -12.667 1.00 0.00 C ATOM 1236 CE LYS A 76 -10.717 -18.614 -12.419 1.00 0.00 C ATOM 1237 NZ LYS A 76 -11.181 -18.731 -11.019 1.00 0.00 N ATOM 0 H LYS A 76 -11.058 -13.949 -13.887 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.599 -15.570 -15.553 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.227 -15.705 -12.560 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.838 -16.993 -13.578 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.747 -17.242 -14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.156 -15.689 -14.170 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.030 -17.335 -12.830 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.235 -16.610 -11.784 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.553 -18.774 -13.100 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.981 -19.390 -12.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.595 -19.673 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.376 -18.599 -10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.899 -18.003 -10.829 1.00 0.00 H new ATOM 1251 N SER A 77 -14.331 -13.531 -13.778 1.00 0.00 N ATOM 1252 CA SER A 77 -15.671 -13.028 -13.529 1.00 0.00 C ATOM 1253 C SER A 77 -16.163 -12.231 -14.739 1.00 0.00 C ATOM 1254 O SER A 77 -17.359 -12.208 -15.027 1.00 0.00 O ATOM 1255 CB SER A 77 -15.708 -12.159 -12.271 1.00 0.00 C ATOM 1256 OG SER A 77 -16.507 -12.740 -11.244 1.00 0.00 O ATOM 0 H SER A 77 -13.580 -12.924 -13.449 1.00 0.00 H new ATOM 0 HA SER A 77 -16.332 -13.880 -13.369 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.693 -12.013 -11.902 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.101 -11.174 -12.522 1.00 0.00 H new ATOM 0 HG SER A 77 -16.504 -12.156 -10.457 1.00 0.00 H new ATOM 1262 N LEU A 78 -15.216 -11.598 -15.416 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.538 -10.803 -16.588 1.00 0.00 C ATOM 1264 C LEU A 78 -16.389 -11.637 -17.548 1.00 0.00 C ATOM 1265 O LEU A 78 -16.152 -12.833 -17.714 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.264 -10.244 -17.224 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.566 -9.121 -16.453 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.340 -8.614 -17.215 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.545 -7.992 -16.125 1.00 0.00 C ATOM 0 H LEU A 78 -14.225 -11.620 -15.175 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.133 -9.935 -16.306 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.557 -11.063 -17.353 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.510 -9.875 -18.220 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.211 -9.525 -15.505 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.862 -7.817 -16.646 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.634 -9.433 -17.355 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.649 -8.231 -18.188 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.024 -7.207 -15.577 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -14.950 -7.582 -17.050 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.359 -8.382 -15.514 1.00 0.00 H new ATOM 1281 N SER A 79 -17.363 -10.974 -18.154 1.00 0.00 N ATOM 1282 CA SER A 79 -18.251 -11.640 -19.092 1.00 0.00 C ATOM 1283 C SER A 79 -17.476 -12.045 -20.348 1.00 0.00 C ATOM 1284 O SER A 79 -16.278 -11.785 -20.453 1.00 0.00 O ATOM 1285 CB SER A 79 -19.433 -10.743 -19.464 1.00 0.00 C ATOM 1286 OG SER A 79 -19.522 -9.599 -18.618 1.00 0.00 O ATOM 0 H SER A 79 -17.557 -9.982 -18.014 1.00 0.00 H new ATOM 0 HA SER A 79 -18.647 -12.535 -18.612 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.331 -10.421 -20.500 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.358 -11.316 -19.398 1.00 0.00 H new ATOM 0 HG SER A 79 -18.897 -8.912 -18.930 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.210 -12.691 -21.293 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.605 -13.135 -22.537 1.00 0.00 C ATOM 1294 C PRO A 80 -17.365 -11.954 -23.481 1.00 0.00 C ATOM 1295 O PRO A 80 -16.627 -12.076 -24.458 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.574 -14.160 -23.103 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.898 -13.914 -22.398 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.631 -13.016 -21.202 1.00 0.00 C ATOM 0 HA PRO A 80 -16.620 -13.577 -22.391 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.678 -14.045 -24.182 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.218 -15.175 -22.924 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.610 -13.444 -23.077 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.340 -14.857 -22.076 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.246 -12.117 -21.237 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.862 -13.524 -20.266 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.002 -10.839 -23.156 1.00 0.00 N ATOM 1307 CA GLN A 81 -17.867 -9.638 -23.963 1.00 0.00 C ATOM 1308 C GLN A 81 -16.763 -8.741 -23.399 1.00 0.00 C ATOM 1309 O GLN A 81 -15.968 -8.180 -24.152 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.195 -8.884 -24.050 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.278 -9.753 -24.692 1.00 0.00 C ATOM 1312 CD GLN A 81 -21.670 -9.169 -24.442 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -21.856 -7.968 -24.329 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -22.634 -10.082 -24.363 1.00 0.00 N ATOM 0 H GLN A 81 -18.613 -10.742 -22.345 1.00 0.00 H new ATOM 0 HA GLN A 81 -17.587 -9.933 -24.974 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.511 -8.581 -23.052 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.062 -7.973 -24.633 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.099 -9.830 -25.765 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.226 -10.764 -24.287 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.409 -11.071 -24.467 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.598 -9.793 -24.199 1.00 0.00 H new ATOM 1323 N ASP A 82 -16.749 -8.634 -22.078 1.00 0.00 N ATOM 1324 CA ASP A 82 -15.756 -7.814 -21.404 1.00 0.00 C ATOM 1325 C ASP A 82 -14.378 -8.462 -21.556 1.00 0.00 C ATOM 1326 O ASP A 82 -13.443 -7.834 -22.050 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.060 -7.697 -19.910 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.178 -6.714 -19.553 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -17.112 -5.572 -20.057 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -18.072 -7.127 -18.784 1.00 0.00 O ATOM 0 H ASP A 82 -17.409 -9.101 -21.457 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.776 -6.822 -21.855 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.329 -8.683 -19.531 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.150 -7.393 -19.392 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.296 -9.712 -21.123 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.048 -10.452 -21.204 1.00 0.00 C ATOM 1337 C ARG A 83 -12.503 -10.418 -22.634 1.00 0.00 C ATOM 1338 O ARG A 83 -11.300 -10.269 -22.840 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.242 -11.907 -20.775 1.00 0.00 C ATOM 1340 CG ARG A 83 -11.989 -12.446 -20.082 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.337 -13.597 -19.136 1.00 0.00 C ATOM 1342 NE ARG A 83 -11.423 -14.737 -19.367 1.00 0.00 N ATOM 1343 CZ ARG A 83 -11.610 -15.669 -20.312 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -12.677 -15.601 -21.119 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -10.728 -16.669 -20.450 1.00 0.00 N ATOM 0 H ARG A 83 -15.074 -10.231 -20.715 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.336 -9.977 -20.528 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.095 -11.980 -20.100 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.472 -12.519 -21.647 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.275 -12.789 -20.830 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.505 -11.645 -19.523 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.261 -13.263 -18.101 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.369 -13.910 -19.295 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.600 -14.819 -18.770 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.348 -14.840 -21.015 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.819 -16.311 -21.838 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.915 -16.720 -19.836 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.870 -17.379 -21.169 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.416 -10.558 -23.584 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.041 -10.545 -24.988 1.00 0.00 C ATOM 1361 C ALA A 84 -12.261 -9.264 -25.292 1.00 0.00 C ATOM 1362 O ALA A 84 -11.440 -9.236 -26.207 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.297 -10.681 -25.853 1.00 0.00 C ATOM 0 H ALA A 84 -14.413 -10.681 -23.409 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.392 -11.389 -25.219 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.016 -10.671 -26.906 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.799 -11.620 -25.620 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -14.971 -9.849 -25.649 1.00 0.00 H new ATOM 1369 N ALA A 85 -12.545 -8.236 -24.506 1.00 0.00 N ATOM 1370 CA ALA A 85 -11.880 -6.956 -24.679 1.00 0.00 C ATOM 1371 C ALA A 85 -10.595 -6.937 -23.849 1.00 0.00 C ATOM 1372 O ALA A 85 -9.501 -6.797 -24.394 1.00 0.00 O ATOM 1373 CB ALA A 85 -12.838 -5.826 -24.296 1.00 0.00 C ATOM 0 H ALA A 85 -13.227 -8.264 -23.748 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.601 -6.807 -25.722 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.339 -4.866 -24.426 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.721 -5.865 -24.934 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.138 -5.941 -23.254 1.00 0.00 H new ATOM 1379 N TYR A 86 -10.769 -7.081 -22.543 1.00 0.00 N ATOM 1380 CA TYR A 86 -9.637 -7.082 -21.633 1.00 0.00 C ATOM 1381 C TYR A 86 -8.448 -7.831 -22.237 1.00 0.00 C ATOM 1382 O TYR A 86 -7.321 -7.339 -22.209 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.106 -7.822 -20.378 1.00 0.00 C ATOM 1384 CG TYR A 86 -8.967 -8.316 -19.484 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.322 -9.500 -19.778 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.583 -7.576 -18.384 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.250 -9.964 -18.937 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.511 -8.040 -17.543 1.00 0.00 C ATOM 1389 CZ TYR A 86 -6.897 -9.211 -17.861 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.884 -9.650 -17.066 1.00 0.00 O ATOM 0 H TYR A 86 -11.677 -7.198 -22.094 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.314 -6.063 -21.422 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.749 -7.160 -19.797 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.715 -8.675 -20.678 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.622 -10.079 -20.639 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.087 -6.649 -18.154 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.738 -10.889 -19.156 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.201 -7.471 -16.679 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.740 -9.011 -16.337 1.00 0.00 H new ATOM 1400 N LYS A 87 -8.740 -9.008 -22.771 1.00 0.00 N ATOM 1401 CA LYS A 87 -7.709 -9.830 -23.382 1.00 0.00 C ATOM 1402 C LYS A 87 -7.088 -9.071 -24.557 1.00 0.00 C ATOM 1403 O LYS A 87 -5.868 -9.045 -24.708 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.271 -11.200 -23.762 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.688 -12.299 -22.871 1.00 0.00 C ATOM 1406 CD LYS A 87 -6.605 -13.088 -23.610 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.931 -14.582 -23.628 1.00 0.00 C ATOM 1408 NZ LYS A 87 -5.822 -15.362 -23.033 1.00 0.00 N ATOM 0 H LYS A 87 -9.676 -9.412 -22.793 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.907 -10.028 -22.670 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.357 -11.190 -23.669 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.042 -11.414 -24.806 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.268 -11.855 -21.968 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.482 -12.975 -22.554 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.515 -12.719 -24.632 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.641 -12.928 -23.128 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.851 -14.766 -23.074 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.105 -14.910 -24.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.060 -16.374 -23.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.952 -15.200 -23.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.675 -15.061 -22.049 1.00 0.00 H new ATOM 1422 N GLU A 88 -7.957 -8.473 -25.358 1.00 0.00 N ATOM 1423 CA GLU A 88 -7.510 -7.716 -26.515 1.00 0.00 C ATOM 1424 C GLU A 88 -6.290 -6.866 -26.154 1.00 0.00 C ATOM 1425 O GLU A 88 -5.377 -6.709 -26.963 1.00 0.00 O ATOM 1426 CB GLU A 88 -8.639 -6.847 -27.072 1.00 0.00 C ATOM 1427 CG GLU A 88 -8.463 -5.386 -26.652 1.00 0.00 C ATOM 1428 CD GLU A 88 -9.609 -4.522 -27.184 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -9.631 -4.303 -28.414 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -10.436 -4.099 -26.347 1.00 0.00 O ATOM 0 H GLU A 88 -8.969 -8.497 -25.229 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.220 -8.420 -27.295 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -8.654 -6.917 -28.160 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.599 -7.219 -26.715 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.426 -5.318 -25.565 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.512 -5.008 -27.028 1.00 0.00 H new ATOM 1437 N TYR A 89 -6.315 -6.339 -24.939 1.00 0.00 N ATOM 1438 CA TYR A 89 -5.222 -5.509 -24.460 1.00 0.00 C ATOM 1439 C TYR A 89 -4.068 -6.368 -23.939 1.00 0.00 C ATOM 1440 O TYR A 89 -2.904 -5.990 -24.061 1.00 0.00 O ATOM 1441 CB TYR A 89 -5.793 -4.686 -23.304 1.00 0.00 C ATOM 1442 CG TYR A 89 -4.744 -4.227 -22.289 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -4.025 -3.071 -22.515 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -4.516 -4.969 -21.148 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -3.038 -2.638 -21.561 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -3.528 -4.537 -20.194 1.00 0.00 C ATOM 1447 CZ TYR A 89 -2.838 -3.393 -20.447 1.00 0.00 C ATOM 1448 OH TYR A 89 -1.905 -2.985 -19.545 1.00 0.00 O ATOM 0 H TYR A 89 -7.075 -6.470 -24.271 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.833 -4.885 -25.265 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.298 -3.810 -23.710 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.548 -5.279 -22.788 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.203 -2.491 -23.408 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.079 -5.874 -20.971 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.469 -1.735 -21.726 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.339 -5.109 -19.297 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.871 -3.620 -18.799 1.00 0.00 H new ATOM 1458 N ILE A 90 -4.432 -7.507 -23.369 1.00 0.00 N ATOM 1459 CA ILE A 90 -3.442 -8.423 -22.828 1.00 0.00 C ATOM 1460 C ILE A 90 -2.492 -8.859 -23.946 1.00 0.00 C ATOM 1461 O ILE A 90 -1.304 -8.544 -23.914 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.125 -9.589 -22.111 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.020 -9.087 -20.977 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.096 -10.609 -21.620 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.209 -8.850 -19.702 1.00 0.00 C ATOM 0 H ILE A 90 -5.399 -7.817 -23.270 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.836 -7.925 -22.071 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.769 -10.100 -22.827 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.510 -8.161 -21.278 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.808 -9.815 -20.781 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.608 -11.428 -21.114 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.538 -11.001 -22.470 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.408 -10.127 -20.925 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.870 -8.493 -18.912 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.741 -9.783 -19.390 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.438 -8.104 -19.895 1.00 0.00 H new