USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 597 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 51 THR OG1 : rot 94:sc= 0.0429 USER MOD Set 1.2: A 54 GLN : amide:sc= 1.63 K(o=2.7,f=0.36) USER MOD Set 1.3: A 61 HIS : no HD1:sc= 1.03 K(o=2.7,f=-5.8!) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0.269 USER MOD Single : A 7 THR OG1 : rot -45:sc= 0.244 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -120:sc= 0.0655 (180deg=-3.05!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 96:sc= 1.24 USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= 1.01 (180deg=0.781) USER MOD Single : A 27 SER OG : rot 180:sc= 0.149 USER MOD Single : A 29 GLN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -174:sc= -1.42 (180deg=-1.49) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -50:sc= 1.79 USER MOD Single : A 50 THR OG1 : rot -22:sc= 1.27 USER MOD Single : A 60 GLN : amide:sc= -0.073 X(o=-0.073,f=0) USER MOD Single : A 65 TYR OH : rot -105:sc= 1.35 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASN A 2 -4.090 8.676 -6.040 1.00 0.00 N ATOM 14 CA ASN A 2 -2.868 7.933 -6.335 1.00 0.00 C ATOM 15 C ASN A 2 -2.687 6.941 -5.190 1.00 0.00 C ATOM 16 O ASN A 2 -2.259 7.337 -4.102 1.00 0.00 O ATOM 17 CB ASN A 2 -1.607 8.821 -6.484 1.00 0.00 C ATOM 18 CG ASN A 2 -1.830 10.256 -6.924 1.00 0.00 C ATOM 19 OD1 ASN A 2 -1.994 11.148 -6.103 1.00 0.00 O ATOM 20 ND2 ASN A 2 -1.821 10.512 -8.220 1.00 0.00 N ATOM 0 HA ASN A 2 -2.976 7.445 -7.303 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.087 8.836 -5.526 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -0.939 8.345 -7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.952 11.467 -8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -1.683 9.754 -8.889 1.00 0.00 H new ATOM 27 N VAL A 3 -3.087 5.686 -5.391 1.00 0.00 N ATOM 28 CA VAL A 3 -2.987 4.638 -4.386 1.00 0.00 C ATOM 29 C VAL A 3 -1.720 3.875 -4.663 1.00 0.00 C ATOM 30 O VAL A 3 -1.677 3.005 -5.531 1.00 0.00 O ATOM 31 CB VAL A 3 -4.229 3.741 -4.350 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.117 2.657 -3.267 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.399 4.653 -4.004 1.00 0.00 C ATOM 0 H VAL A 3 -3.495 5.368 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.943 5.075 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.351 3.236 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.017 2.042 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.248 2.031 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.007 3.128 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.317 4.067 -3.964 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.223 5.119 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.495 5.426 -4.766 1.00 0.00 H new ATOM 43 N GLU A 4 -0.682 4.240 -3.931 1.00 0.00 N ATOM 44 CA GLU A 4 0.632 3.685 -4.095 1.00 0.00 C ATOM 45 C GLU A 4 0.860 2.684 -2.980 1.00 0.00 C ATOM 46 O GLU A 4 0.748 3.053 -1.811 1.00 0.00 O ATOM 47 CB GLU A 4 1.652 4.832 -4.039 1.00 0.00 C ATOM 48 CG GLU A 4 1.733 5.630 -5.338 1.00 0.00 C ATOM 49 CD GLU A 4 2.647 6.839 -5.147 1.00 0.00 C ATOM 50 OE1 GLU A 4 2.143 7.908 -4.733 1.00 0.00 O ATOM 51 OE2 GLU A 4 3.876 6.727 -5.352 1.00 0.00 O ATOM 0 H GLU A 4 -0.739 4.944 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 4 0.741 3.174 -5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.388 5.505 -3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.636 4.423 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.114 4.998 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 4 0.737 5.959 -5.636 1.00 0.00 H new ATOM 58 N ILE A 5 1.149 1.424 -3.314 1.00 0.00 N ATOM 59 CA ILE A 5 1.254 0.365 -2.321 1.00 0.00 C ATOM 60 C ILE A 5 2.549 -0.439 -2.467 1.00 0.00 C ATOM 61 O ILE A 5 2.723 -1.213 -3.407 1.00 0.00 O ATOM 62 CB ILE A 5 -0.066 -0.424 -2.263 1.00 0.00 C ATOM 63 CG1 ILE A 5 -0.046 -1.303 -0.992 1.00 0.00 C ATOM 64 CG2 ILE A 5 -0.427 -1.218 -3.527 1.00 0.00 C ATOM 65 CD1 ILE A 5 -1.394 -1.930 -0.623 1.00 0.00 C ATOM 0 H ILE A 5 1.315 1.116 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 5 1.368 0.784 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.875 0.305 -2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.684 -2.101 -1.130 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.299 -0.697 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.375 -1.734 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.518 -0.535 -4.372 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.355 -1.949 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.282 -2.528 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.126 -1.142 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.735 -2.567 -1.439 1.00 0.00 H new ATOM 77 N TYR A 6 3.470 -0.236 -1.523 1.00 0.00 N ATOM 78 CA TYR A 6 4.772 -0.898 -1.476 1.00 0.00 C ATOM 79 C TYR A 6 4.627 -2.364 -1.037 1.00 0.00 C ATOM 80 O TYR A 6 3.703 -2.678 -0.277 1.00 0.00 O ATOM 81 CB TYR A 6 5.704 -0.111 -0.545 1.00 0.00 C ATOM 82 CG TYR A 6 6.217 1.218 -1.082 1.00 0.00 C ATOM 83 CD1 TYR A 6 5.360 2.331 -1.212 1.00 0.00 C ATOM 84 CD2 TYR A 6 7.573 1.345 -1.443 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.849 3.553 -1.705 1.00 0.00 C ATOM 86 CE2 TYR A 6 8.079 2.573 -1.902 1.00 0.00 C ATOM 87 CZ TYR A 6 7.219 3.684 -2.032 1.00 0.00 C ATOM 88 OH TYR A 6 7.704 4.893 -2.426 1.00 0.00 O ATOM 0 H TYR A 6 3.325 0.412 -0.749 1.00 0.00 H new ATOM 0 HA TYR A 6 5.210 -0.912 -2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.177 0.077 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.562 -0.739 -0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.321 2.243 -0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 6 8.229 0.491 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.180 4.391 -1.834 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.125 2.666 -2.155 1.00 0.00 H new ATOM 0 HH TYR A 6 8.663 4.816 -2.613 1.00 0.00 H new ATOM 98 N THR A 7 5.515 -3.258 -1.501 1.00 0.00 N ATOM 99 CA THR A 7 5.398 -4.714 -1.358 1.00 0.00 C ATOM 100 C THR A 7 6.755 -5.444 -1.420 1.00 0.00 C ATOM 101 O THR A 7 7.792 -4.798 -1.528 1.00 0.00 O ATOM 102 CB THR A 7 4.516 -5.249 -2.496 1.00 0.00 C ATOM 103 OG1 THR A 7 5.067 -4.981 -3.772 1.00 0.00 O ATOM 104 CG2 THR A 7 3.088 -4.728 -2.510 1.00 0.00 C ATOM 0 H THR A 7 6.359 -2.977 -2.001 1.00 0.00 H new ATOM 0 HA THR A 7 4.967 -4.905 -0.375 1.00 0.00 H new ATOM 0 HB THR A 7 4.487 -6.319 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.380 -4.053 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.549 -5.165 -3.351 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.592 -5.002 -1.579 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.098 -3.643 -2.610 1.00 0.00 H new ATOM 112 N LYS A 8 6.765 -6.784 -1.348 1.00 0.00 N ATOM 113 CA LYS A 8 7.935 -7.621 -1.637 1.00 0.00 C ATOM 114 C LYS A 8 7.399 -8.959 -2.168 1.00 0.00 C ATOM 115 O LYS A 8 6.191 -9.109 -2.350 1.00 0.00 O ATOM 116 CB LYS A 8 8.922 -7.808 -0.454 1.00 0.00 C ATOM 117 CG LYS A 8 8.480 -7.482 0.983 1.00 0.00 C ATOM 118 CD LYS A 8 9.656 -7.001 1.854 1.00 0.00 C ATOM 119 CE LYS A 8 10.815 -8.010 1.877 1.00 0.00 C ATOM 120 NZ LYS A 8 10.677 -9.019 2.941 1.00 0.00 N ATOM 0 H LYS A 8 5.942 -7.325 -1.082 1.00 0.00 H new ATOM 0 HA LYS A 8 8.551 -7.112 -2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.245 -8.849 -0.464 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.801 -7.200 -0.667 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.708 -6.713 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.033 -8.368 1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.017 -6.044 1.477 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.305 -6.830 2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 8 10.871 -8.513 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 8 11.754 -7.474 2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.486 -9.671 2.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 10.651 -8.546 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 9.796 -9.553 2.801 1.00 0.00 H new ATOM 134 N GLU A 9 8.297 -9.920 -2.374 1.00 0.00 N ATOM 135 CA GLU A 9 8.117 -11.201 -3.055 1.00 0.00 C ATOM 136 C GLU A 9 6.968 -12.060 -2.512 1.00 0.00 C ATOM 137 O GLU A 9 6.432 -12.898 -3.238 1.00 0.00 O ATOM 138 CB GLU A 9 9.445 -11.971 -2.958 1.00 0.00 C ATOM 139 CG GLU A 9 9.768 -12.354 -1.503 1.00 0.00 C ATOM 140 CD GLU A 9 11.097 -13.073 -1.352 1.00 0.00 C ATOM 141 OE1 GLU A 9 11.117 -14.310 -1.554 1.00 0.00 O ATOM 142 OE2 GLU A 9 12.073 -12.412 -0.924 1.00 0.00 O ATOM 0 H GLU A 9 9.254 -9.813 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 9 7.839 -10.986 -4.087 1.00 0.00 H new ATOM 0 HB2 GLU A 9 9.390 -12.872 -3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.252 -11.360 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.779 -11.452 -0.891 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.972 -12.991 -1.117 1.00 0.00 H new ATOM 149 N THR A 10 6.600 -11.886 -1.245 1.00 0.00 N ATOM 150 CA THR A 10 5.524 -12.624 -0.589 1.00 0.00 C ATOM 151 C THR A 10 4.740 -11.642 0.271 1.00 0.00 C ATOM 152 O THR A 10 3.749 -11.084 -0.201 1.00 0.00 O ATOM 153 CB THR A 10 6.067 -13.839 0.194 1.00 0.00 C ATOM 154 OG1 THR A 10 7.275 -13.534 0.869 1.00 0.00 O ATOM 155 CG2 THR A 10 6.365 -15.022 -0.721 1.00 0.00 C ATOM 0 H THR A 10 7.054 -11.210 -0.630 1.00 0.00 H new ATOM 0 HA THR A 10 4.845 -13.054 -1.326 1.00 0.00 H new ATOM 0 HB THR A 10 5.282 -14.094 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.587 -14.326 1.355 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.745 -15.854 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.451 -15.327 -1.231 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.113 -14.732 -1.459 1.00 0.00 H new ATOM 163 N CYS A 11 5.228 -11.361 1.487 1.00 0.00 N ATOM 164 CA CYS A 11 4.622 -10.482 2.479 1.00 0.00 C ATOM 165 C CYS A 11 3.109 -10.763 2.611 1.00 0.00 C ATOM 166 O CYS A 11 2.303 -10.110 1.939 1.00 0.00 O ATOM 167 CB CYS A 11 4.983 -9.034 2.128 1.00 0.00 C ATOM 168 SG CYS A 11 4.157 -7.752 3.096 1.00 0.00 S ATOM 0 H CYS A 11 6.104 -11.766 1.816 1.00 0.00 H new ATOM 0 HA CYS A 11 5.019 -10.675 3.476 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.060 -8.911 2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.755 -8.869 1.075 1.00 0.00 H new ATOM 173 N PRO A 12 2.676 -11.700 3.480 1.00 0.00 N ATOM 174 CA PRO A 12 1.271 -12.105 3.657 1.00 0.00 C ATOM 175 C PRO A 12 0.419 -11.056 4.410 1.00 0.00 C ATOM 176 O PRO A 12 -0.439 -11.357 5.240 1.00 0.00 O ATOM 177 CB PRO A 12 1.354 -13.459 4.372 1.00 0.00 C ATOM 178 CG PRO A 12 2.623 -13.345 5.201 1.00 0.00 C ATOM 179 CD PRO A 12 3.544 -12.534 4.300 1.00 0.00 C ATOM 0 HA PRO A 12 0.748 -12.185 2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.480 -13.636 4.998 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.411 -14.285 3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.442 -12.842 6.151 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.043 -14.323 5.433 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.227 -11.923 4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.156 -13.188 3.679 1.00 0.00 H new ATOM 187 N TYR A 13 0.607 -9.797 4.035 1.00 0.00 N ATOM 188 CA TYR A 13 -0.105 -8.582 4.380 1.00 0.00 C ATOM 189 C TYR A 13 -0.138 -7.754 3.090 1.00 0.00 C ATOM 190 O TYR A 13 -1.202 -7.360 2.623 1.00 0.00 O ATOM 191 CB TYR A 13 0.639 -7.844 5.505 1.00 0.00 C ATOM 192 CG TYR A 13 -0.030 -7.883 6.862 1.00 0.00 C ATOM 193 CD1 TYR A 13 -0.089 -9.074 7.610 1.00 0.00 C ATOM 194 CD2 TYR A 13 -0.562 -6.697 7.400 1.00 0.00 C ATOM 195 CE1 TYR A 13 -0.689 -9.080 8.883 1.00 0.00 C ATOM 196 CE2 TYR A 13 -1.204 -6.710 8.645 1.00 0.00 C ATOM 197 CZ TYR A 13 -1.249 -7.894 9.405 1.00 0.00 C ATOM 198 OH TYR A 13 -1.796 -7.872 10.649 1.00 0.00 O ATOM 0 H TYR A 13 1.369 -9.581 3.393 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.113 -8.774 4.747 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.637 -8.272 5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.765 -6.802 5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.327 -9.985 7.206 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.475 -5.771 6.850 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.721 -9.992 9.461 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.665 -5.810 9.023 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.132 -6.972 10.843 1.00 0.00 H new ATOM 208 N CYS A 14 1.015 -7.569 2.438 1.00 0.00 N ATOM 209 CA CYS A 14 1.131 -6.978 1.112 1.00 0.00 C ATOM 210 C CYS A 14 0.242 -7.713 0.115 1.00 0.00 C ATOM 211 O CYS A 14 -0.557 -7.059 -0.568 1.00 0.00 O ATOM 212 CB CYS A 14 2.580 -7.048 0.628 1.00 0.00 C ATOM 213 SG CYS A 14 3.859 -6.330 1.679 1.00 0.00 S ATOM 0 H CYS A 14 1.916 -7.836 2.835 1.00 0.00 H new ATOM 0 HA CYS A 14 0.814 -5.937 1.179 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.829 -8.097 0.469 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.632 -6.557 -0.344 1.00 0.00 H new ATOM 218 N HIS A 15 0.353 -9.045 0.077 1.00 0.00 N ATOM 219 CA HIS A 15 -0.541 -9.911 -0.673 1.00 0.00 C ATOM 220 C HIS A 15 -1.989 -9.586 -0.323 1.00 0.00 C ATOM 221 O HIS A 15 -2.764 -9.257 -1.211 1.00 0.00 O ATOM 222 CB HIS A 15 -0.217 -11.389 -0.400 1.00 0.00 C ATOM 223 CG HIS A 15 -1.253 -12.295 -1.015 1.00 0.00 C ATOM 224 ND1 HIS A 15 -1.605 -12.311 -2.351 1.00 0.00 N ATOM 225 CD2 HIS A 15 -2.110 -13.117 -0.336 1.00 0.00 C ATOM 226 CE1 HIS A 15 -2.656 -13.141 -2.482 1.00 0.00 C ATOM 227 NE2 HIS A 15 -2.975 -13.648 -1.273 1.00 0.00 N ATOM 0 H HIS A 15 1.082 -9.553 0.578 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.398 -9.735 -1.739 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.766 -11.629 -0.804 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.171 -11.562 0.675 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.110 -13.313 0.726 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -3.164 -13.366 -3.408 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.727 -14.311 -1.083 1.00 0.00 H new ATOM 236 N ARG A 16 -2.348 -9.625 0.965 1.00 0.00 N ATOM 237 CA ARG A 16 -3.726 -9.464 1.433 1.00 0.00 C ATOM 238 C ARG A 16 -4.349 -8.176 0.902 1.00 0.00 C ATOM 239 O ARG A 16 -5.442 -8.199 0.345 1.00 0.00 O ATOM 240 CB ARG A 16 -3.790 -9.535 2.970 1.00 0.00 C ATOM 241 CG ARG A 16 -3.336 -10.925 3.456 1.00 0.00 C ATOM 242 CD ARG A 16 -3.605 -11.176 4.943 1.00 0.00 C ATOM 243 NE ARG A 16 -5.009 -11.529 5.214 1.00 0.00 N ATOM 244 CZ ARG A 16 -5.528 -12.764 5.272 1.00 0.00 C ATOM 245 NH1 ARG A 16 -4.780 -13.846 5.067 1.00 0.00 N ATOM 246 NH2 ARG A 16 -6.816 -12.905 5.543 1.00 0.00 N ATOM 0 H ARG A 16 -1.679 -9.771 1.721 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.316 -10.290 1.036 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.154 -8.764 3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.807 -9.337 3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.846 -11.689 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.269 -11.036 3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.958 -11.980 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.343 -10.284 5.511 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.653 -10.754 5.374 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.786 -13.747 4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.201 -14.774 5.117 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.396 -12.082 5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.228 -13.837 5.591 1.00 0.00 H new ATOM 260 N ALA A 17 -3.628 -7.062 1.003 1.00 0.00 N ATOM 261 CA ALA A 17 -4.070 -5.798 0.431 1.00 0.00 C ATOM 262 C ALA A 17 -4.309 -5.916 -1.079 1.00 0.00 C ATOM 263 O ALA A 17 -5.382 -5.538 -1.532 1.00 0.00 O ATOM 264 CB ALA A 17 -3.063 -4.687 0.748 1.00 0.00 C ATOM 0 H ALA A 17 -2.728 -7.012 1.480 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.025 -5.537 0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.408 -3.749 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.973 -4.575 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.091 -4.946 0.328 1.00 0.00 H new ATOM 270 N LYS A 18 -3.358 -6.418 -1.883 1.00 0.00 N ATOM 271 CA LYS A 18 -3.659 -6.641 -3.306 1.00 0.00 C ATOM 272 C LYS A 18 -4.777 -7.622 -3.578 1.00 0.00 C ATOM 273 O LYS A 18 -5.475 -7.419 -4.563 1.00 0.00 O ATOM 274 CB LYS A 18 -2.445 -6.958 -4.192 1.00 0.00 C ATOM 275 CG LYS A 18 -1.926 -5.711 -4.915 1.00 0.00 C ATOM 276 CD LYS A 18 -1.445 -4.553 -4.047 1.00 0.00 C ATOM 277 CE LYS A 18 -0.066 -4.881 -3.492 1.00 0.00 C ATOM 278 NZ LYS A 18 0.006 -4.761 -2.029 1.00 0.00 N ATOM 0 H LYS A 18 -2.414 -6.668 -1.590 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.017 -5.655 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.649 -7.381 -3.579 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.719 -7.716 -4.926 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.102 -6.013 -5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.721 -5.341 -5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.405 -3.635 -4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.146 -4.379 -3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.204 -5.896 -3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.669 -4.214 -3.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.720 -4.049 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.921 -4.470 -1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.270 -5.679 -1.618 1.00 0.00 H new ATOM 292 N ALA A 19 -4.994 -8.624 -2.741 1.00 0.00 N ATOM 293 CA ALA A 19 -6.115 -9.517 -2.924 1.00 0.00 C ATOM 294 C ALA A 19 -7.407 -8.718 -2.800 1.00 0.00 C ATOM 295 O ALA A 19 -8.265 -8.829 -3.672 1.00 0.00 O ATOM 296 CB ALA A 19 -6.028 -10.668 -1.922 1.00 0.00 C ATOM 0 H ALA A 19 -4.408 -8.835 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.098 -9.965 -3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.875 -11.339 -2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.100 -11.218 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.047 -10.270 -0.908 1.00 0.00 H new ATOM 302 N LEU A 20 -7.518 -7.849 -1.791 1.00 0.00 N ATOM 303 CA LEU A 20 -8.682 -6.987 -1.603 1.00 0.00 C ATOM 304 C LEU A 20 -8.853 -6.077 -2.819 1.00 0.00 C ATOM 305 O LEU A 20 -9.910 -6.043 -3.444 1.00 0.00 O ATOM 306 CB LEU A 20 -8.514 -6.155 -0.322 1.00 0.00 C ATOM 307 CG LEU A 20 -9.793 -5.357 0.022 1.00 0.00 C ATOM 308 CD1 LEU A 20 -10.474 -5.990 1.232 1.00 0.00 C ATOM 309 CD2 LEU A 20 -9.463 -3.901 0.360 1.00 0.00 C ATOM 0 H LEU A 20 -6.798 -7.725 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.576 -7.602 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.264 -6.815 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.678 -5.466 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.449 -5.379 -0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.376 -5.429 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.739 -7.022 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.794 -5.972 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -10.382 -3.365 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.793 -3.870 1.219 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.979 -3.430 -0.495 1.00 0.00 H new ATOM 321 N LEU A 21 -7.794 -5.349 -3.174 1.00 0.00 N ATOM 322 CA LEU A 21 -7.840 -4.339 -4.220 1.00 0.00 C ATOM 323 C LEU A 21 -8.114 -4.961 -5.580 1.00 0.00 C ATOM 324 O LEU A 21 -8.854 -4.373 -6.360 1.00 0.00 O ATOM 325 CB LEU A 21 -6.516 -3.561 -4.263 1.00 0.00 C ATOM 326 CG LEU A 21 -6.187 -2.714 -3.019 1.00 0.00 C ATOM 327 CD1 LEU A 21 -4.819 -2.065 -3.229 1.00 0.00 C ATOM 328 CD2 LEU A 21 -7.195 -1.619 -2.682 1.00 0.00 C ATOM 0 H LEU A 21 -6.877 -5.448 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.657 -3.656 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.705 -4.272 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.533 -2.903 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.211 -3.404 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.566 -1.460 -2.359 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.065 -2.841 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.849 -1.431 -4.115 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.867 -1.085 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.268 -0.922 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.171 -2.067 -2.498 1.00 0.00 H new ATOM 340 N SER A 22 -7.561 -6.138 -5.866 1.00 0.00 N ATOM 341 CA SER A 22 -7.823 -6.853 -7.105 1.00 0.00 C ATOM 342 C SER A 22 -9.228 -7.462 -7.077 1.00 0.00 C ATOM 343 O SER A 22 -9.858 -7.561 -8.127 1.00 0.00 O ATOM 344 CB SER A 22 -6.739 -7.921 -7.307 1.00 0.00 C ATOM 345 OG SER A 22 -6.729 -8.408 -8.631 1.00 0.00 O ATOM 0 H SER A 22 -6.917 -6.621 -5.240 1.00 0.00 H new ATOM 0 HA SER A 22 -7.787 -6.165 -7.950 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.763 -7.499 -7.067 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.908 -8.747 -6.616 1.00 0.00 H new ATOM 0 HG SER A 22 -6.026 -9.085 -8.725 1.00 0.00 H new ATOM 351 N SER A 23 -9.770 -7.799 -5.901 1.00 0.00 N ATOM 352 CA SER A 23 -11.158 -8.226 -5.785 1.00 0.00 C ATOM 353 C SER A 23 -12.106 -7.054 -6.068 1.00 0.00 C ATOM 354 O SER A 23 -13.209 -7.294 -6.565 1.00 0.00 O ATOM 355 CB SER A 23 -11.429 -8.859 -4.414 1.00 0.00 C ATOM 356 OG SER A 23 -10.548 -9.946 -4.178 1.00 0.00 O ATOM 0 H SER A 23 -9.262 -7.782 -5.017 1.00 0.00 H new ATOM 0 HA SER A 23 -11.346 -8.994 -6.535 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.307 -8.110 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.462 -9.205 -4.366 1.00 0.00 H new ATOM 0 HG SER A 23 -9.781 -9.637 -3.652 1.00 0.00 H new ATOM 362 N LYS A 24 -11.713 -5.797 -5.803 1.00 0.00 N ATOM 363 CA LYS A 24 -12.464 -4.630 -6.262 1.00 0.00 C ATOM 364 C LYS A 24 -11.990 -4.162 -7.652 1.00 0.00 C ATOM 365 O LYS A 24 -12.642 -3.319 -8.258 1.00 0.00 O ATOM 366 CB LYS A 24 -12.391 -3.537 -5.184 1.00 0.00 C ATOM 367 CG LYS A 24 -13.408 -3.750 -4.046 1.00 0.00 C ATOM 368 CD LYS A 24 -14.848 -3.341 -4.422 1.00 0.00 C ATOM 369 CE LYS A 24 -15.276 -1.938 -3.954 1.00 0.00 C ATOM 370 NZ LYS A 24 -14.465 -0.830 -4.502 1.00 0.00 N ATOM 0 H LYS A 24 -10.874 -5.569 -5.270 1.00 0.00 H new ATOM 0 HA LYS A 24 -13.513 -4.891 -6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.385 -3.513 -4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.568 -2.566 -5.646 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.401 -4.801 -3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.092 -3.176 -3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.951 -3.392 -5.506 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.538 -4.073 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.318 -1.779 -4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.227 -1.902 -2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.937 0.076 -4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.525 -0.835 -4.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.362 -0.951 -5.530 1.00 0.00 H new ATOM 384 N GLY A 25 -10.900 -4.712 -8.191 1.00 0.00 N ATOM 385 CA GLY A 25 -10.389 -4.455 -9.533 1.00 0.00 C ATOM 386 C GLY A 25 -9.898 -3.021 -9.691 1.00 0.00 C ATOM 387 O GLY A 25 -9.904 -2.477 -10.794 1.00 0.00 O ATOM 0 H GLY A 25 -10.325 -5.379 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.572 -5.144 -9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.173 -4.652 -10.264 1.00 0.00 H new ATOM 391 N VAL A 26 -9.498 -2.383 -8.596 1.00 0.00 N ATOM 392 CA VAL A 26 -9.240 -0.941 -8.574 1.00 0.00 C ATOM 393 C VAL A 26 -7.938 -0.556 -9.283 1.00 0.00 C ATOM 394 O VAL A 26 -7.006 -1.357 -9.407 1.00 0.00 O ATOM 395 CB VAL A 26 -9.251 -0.430 -7.121 1.00 0.00 C ATOM 396 CG1 VAL A 26 -10.540 -0.836 -6.399 1.00 0.00 C ATOM 397 CG2 VAL A 26 -8.032 -0.927 -6.337 1.00 0.00 C ATOM 0 H VAL A 26 -9.343 -2.846 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.042 -0.459 -9.134 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.205 0.658 -7.168 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.518 -0.461 -5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.398 -0.414 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.622 -1.923 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.075 -0.546 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.032 -2.017 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.121 -0.573 -6.818 1.00 0.00 H new ATOM 407 N SER A 27 -7.853 0.707 -9.689 1.00 0.00 N ATOM 408 CA SER A 27 -6.659 1.371 -10.175 1.00 0.00 C ATOM 409 C SER A 27 -5.757 1.697 -8.985 1.00 0.00 C ATOM 410 O SER A 27 -6.068 2.587 -8.193 1.00 0.00 O ATOM 411 CB SER A 27 -7.063 2.634 -10.955 1.00 0.00 C ATOM 412 OG SER A 27 -8.313 3.174 -10.538 1.00 0.00 O ATOM 0 H SER A 27 -8.664 1.325 -9.685 1.00 0.00 H new ATOM 0 HA SER A 27 -6.103 0.725 -10.855 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.289 3.391 -10.834 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.113 2.397 -12.018 1.00 0.00 H new ATOM 0 HG SER A 27 -8.516 3.974 -11.066 1.00 0.00 H new ATOM 418 N PHE A 28 -4.646 0.978 -8.840 1.00 0.00 N ATOM 419 CA PHE A 28 -3.603 1.259 -7.857 1.00 0.00 C ATOM 420 C PHE A 28 -2.243 1.143 -8.557 1.00 0.00 C ATOM 421 O PHE A 28 -2.155 0.626 -9.679 1.00 0.00 O ATOM 422 CB PHE A 28 -3.731 0.312 -6.651 1.00 0.00 C ATOM 423 CG PHE A 28 -3.517 -1.160 -6.962 1.00 0.00 C ATOM 424 CD1 PHE A 28 -2.225 -1.720 -6.969 1.00 0.00 C ATOM 425 CD2 PHE A 28 -4.620 -1.970 -7.278 1.00 0.00 C ATOM 426 CE1 PHE A 28 -2.048 -3.070 -7.319 1.00 0.00 C ATOM 427 CE2 PHE A 28 -4.452 -3.325 -7.602 1.00 0.00 C ATOM 428 CZ PHE A 28 -3.160 -3.871 -7.634 1.00 0.00 C ATOM 0 H PHE A 28 -4.441 0.163 -9.418 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.705 2.270 -7.462 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.010 0.616 -5.892 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.723 0.435 -6.216 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.371 -1.113 -6.706 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -5.612 -1.544 -7.272 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.055 -3.493 -7.346 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.310 -3.942 -7.825 1.00 0.00 H new ATOM 0 HZ PHE A 28 -3.019 -4.908 -7.901 1.00 0.00 H new ATOM 438 N GLN A 29 -1.166 1.554 -7.890 1.00 0.00 N ATOM 439 CA GLN A 29 0.206 1.346 -8.326 1.00 0.00 C ATOM 440 C GLN A 29 0.875 0.497 -7.257 1.00 0.00 C ATOM 441 O GLN A 29 0.725 0.744 -6.062 1.00 0.00 O ATOM 442 CB GLN A 29 0.909 2.692 -8.545 1.00 0.00 C ATOM 443 CG GLN A 29 2.443 2.627 -8.449 1.00 0.00 C ATOM 444 CD GLN A 29 3.137 3.862 -9.016 1.00 0.00 C ATOM 445 OE1 GLN A 29 4.119 3.744 -9.744 1.00 0.00 O ATOM 446 NE2 GLN A 29 2.663 5.060 -8.737 1.00 0.00 N ATOM 0 H GLN A 29 -1.230 2.056 -7.004 1.00 0.00 H new ATOM 0 HA GLN A 29 0.256 0.831 -9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.634 3.077 -9.527 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.540 3.406 -7.808 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.730 2.505 -7.404 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.796 1.744 -8.981 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.847 5.158 -8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.112 5.889 -9.126 1.00 0.00 H new ATOM 455 N GLU A 30 1.622 -0.503 -7.695 1.00 0.00 N ATOM 456 CA GLU A 30 2.366 -1.424 -6.853 1.00 0.00 C ATOM 457 C GLU A 30 3.812 -0.954 -6.886 1.00 0.00 C ATOM 458 O GLU A 30 4.333 -0.596 -7.947 1.00 0.00 O ATOM 459 CB GLU A 30 2.221 -2.881 -7.340 1.00 0.00 C ATOM 460 CG GLU A 30 2.267 -3.004 -8.870 1.00 0.00 C ATOM 461 CD GLU A 30 2.564 -4.391 -9.421 1.00 0.00 C ATOM 462 OE1 GLU A 30 2.000 -5.402 -8.946 1.00 0.00 O ATOM 463 OE2 GLU A 30 3.362 -4.473 -10.388 1.00 0.00 O ATOM 0 H GLU A 30 1.731 -0.703 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 30 1.982 -1.423 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.019 -3.485 -6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.278 -3.289 -6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.308 -2.674 -9.270 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.023 -2.316 -9.247 1.00 0.00 H new ATOM 470 N LEU A 31 4.457 -0.927 -5.723 1.00 0.00 N ATOM 471 CA LEU A 31 5.835 -0.477 -5.593 1.00 0.00 C ATOM 472 C LEU A 31 6.653 -1.651 -5.064 1.00 0.00 C ATOM 473 O LEU A 31 6.333 -2.190 -3.999 1.00 0.00 O ATOM 474 CB LEU A 31 5.940 0.800 -4.765 1.00 0.00 C ATOM 475 CG LEU A 31 5.208 1.929 -5.515 1.00 0.00 C ATOM 476 CD1 LEU A 31 3.867 2.236 -4.859 1.00 0.00 C ATOM 477 CD2 LEU A 31 6.055 3.178 -5.588 1.00 0.00 C ATOM 0 H LEU A 31 4.034 -1.219 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 31 6.248 -0.185 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.498 0.650 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.986 1.065 -4.608 1.00 0.00 H new ATOM 0 HG LEU A 31 5.025 1.583 -6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.369 3.036 -5.406 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.242 1.343 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.030 2.549 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.511 3.956 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.283 3.523 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.984 2.958 -6.114 1.00 0.00 H new ATOM 489 N PRO A 32 7.636 -2.133 -5.827 1.00 0.00 N ATOM 490 CA PRO A 32 8.380 -3.324 -5.473 1.00 0.00 C ATOM 491 C PRO A 32 9.520 -2.997 -4.514 1.00 0.00 C ATOM 492 O PRO A 32 10.035 -1.878 -4.507 1.00 0.00 O ATOM 493 CB PRO A 32 8.949 -3.807 -6.810 1.00 0.00 C ATOM 494 CG PRO A 32 9.221 -2.505 -7.558 1.00 0.00 C ATOM 495 CD PRO A 32 8.060 -1.624 -7.122 1.00 0.00 C ATOM 0 HA PRO A 32 7.758 -4.065 -4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 32 9.859 -4.392 -6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.241 -4.439 -7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.183 -2.073 -7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 32 9.235 -2.653 -8.638 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.367 -0.581 -7.050 1.00 0.00 H new ATOM 0 HD3 PRO A 32 7.245 -1.667 -7.844 1.00 0.00 H new ATOM 503 N ILE A 33 9.947 -3.977 -3.727 1.00 0.00 N ATOM 504 CA ILE A 33 11.170 -3.945 -2.925 1.00 0.00 C ATOM 505 C ILE A 33 11.917 -5.280 -3.104 1.00 0.00 C ATOM 506 O ILE A 33 12.983 -5.481 -2.529 1.00 0.00 O ATOM 507 CB ILE A 33 10.952 -3.498 -1.460 1.00 0.00 C ATOM 508 CG1 ILE A 33 9.877 -2.395 -1.350 1.00 0.00 C ATOM 509 CG2 ILE A 33 12.274 -2.901 -0.923 1.00 0.00 C ATOM 510 CD1 ILE A 33 9.585 -1.974 0.084 1.00 0.00 C ATOM 0 H ILE A 33 9.432 -4.852 -3.624 1.00 0.00 H new ATOM 0 HA ILE A 33 11.820 -3.153 -3.298 1.00 0.00 H new ATOM 0 HB ILE A 33 10.630 -4.371 -0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.203 -1.523 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.955 -2.749 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.136 -2.581 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 33 13.059 -3.656 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.561 -2.044 -1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.821 -1.197 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.229 -2.834 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.496 -1.589 0.543 1.00 0.00 H new ATOM 575 N LYS A 39 14.153 3.017 -4.418 1.00 0.00 N ATOM 576 CA LYS A 39 12.844 3.475 -3.943 1.00 0.00 C ATOM 577 C LYS A 39 12.545 3.006 -2.522 1.00 0.00 C ATOM 578 O LYS A 39 11.555 3.430 -1.929 1.00 0.00 O ATOM 579 CB LYS A 39 11.753 3.054 -4.944 1.00 0.00 C ATOM 580 CG LYS A 39 11.705 3.991 -6.156 1.00 0.00 C ATOM 581 CD LYS A 39 11.017 5.317 -5.820 1.00 0.00 C ATOM 582 CE LYS A 39 9.499 5.147 -5.670 1.00 0.00 C ATOM 583 NZ LYS A 39 8.793 5.286 -6.960 1.00 0.00 N ATOM 0 HA LYS A 39 12.858 4.564 -3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 39 11.941 2.034 -5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.783 3.052 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.719 4.186 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.174 3.502 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.431 5.718 -4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.226 6.044 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.285 4.167 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.119 5.889 -4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.771 5.164 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.975 6.231 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.135 4.561 -7.623 1.00 0.00 H new ATOM 597 N ARG A 40 13.380 2.132 -1.966 1.00 0.00 N ATOM 598 CA ARG A 40 13.300 1.743 -0.565 1.00 0.00 C ATOM 599 C ARG A 40 13.726 2.914 0.304 1.00 0.00 C ATOM 600 O ARG A 40 13.037 3.202 1.274 1.00 0.00 O ATOM 601 CB ARG A 40 14.194 0.531 -0.322 1.00 0.00 C ATOM 602 CG ARG A 40 14.007 -0.130 1.043 1.00 0.00 C ATOM 603 CD ARG A 40 15.014 -1.279 1.129 1.00 0.00 C ATOM 604 NE ARG A 40 14.968 -1.920 2.446 1.00 0.00 N ATOM 605 CZ ARG A 40 14.712 -3.203 2.712 1.00 0.00 C ATOM 606 NH1 ARG A 40 14.561 -4.094 1.735 1.00 0.00 N ATOM 607 NH2 ARG A 40 14.614 -3.581 3.979 1.00 0.00 N ATOM 0 H ARG A 40 14.133 1.673 -2.478 1.00 0.00 H new ATOM 0 HA ARG A 40 12.276 1.472 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.001 -0.209 -1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.235 0.837 -0.424 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.174 0.589 1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.988 -0.502 1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.798 -2.015 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 40 16.019 -0.902 0.939 1.00 0.00 H new ATOM 0 HE ARG A 40 15.152 -1.319 3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.640 -3.801 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.366 -5.070 1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.734 -2.897 4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.419 -4.556 4.207 1.00 0.00 H new ATOM 621 N GLU A 41 14.826 3.595 -0.034 1.00 0.00 N ATOM 622 CA GLU A 41 15.212 4.769 0.742 1.00 0.00 C ATOM 623 C GLU A 41 14.226 5.920 0.543 1.00 0.00 C ATOM 624 O GLU A 41 13.996 6.679 1.479 1.00 0.00 O ATOM 625 CB GLU A 41 16.660 5.200 0.507 1.00 0.00 C ATOM 626 CG GLU A 41 16.991 5.650 -0.922 1.00 0.00 C ATOM 627 CD GLU A 41 18.347 6.351 -1.028 1.00 0.00 C ATOM 628 OE1 GLU A 41 18.890 6.830 -0.008 1.00 0.00 O ATOM 629 OE2 GLU A 41 18.858 6.503 -2.160 1.00 0.00 O ATOM 0 H GLU A 41 15.443 3.362 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 41 15.164 4.473 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 41 16.893 6.017 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 41 17.315 4.369 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.984 4.782 -1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.211 6.324 -1.275 1.00 0.00 H new ATOM 636 N GLU A 42 13.566 6.009 -0.616 1.00 0.00 N ATOM 637 CA GLU A 42 12.459 6.945 -0.789 1.00 0.00 C ATOM 638 C GLU A 42 11.366 6.633 0.244 1.00 0.00 C ATOM 639 O GLU A 42 10.834 7.529 0.895 1.00 0.00 O ATOM 640 CB GLU A 42 11.942 6.878 -2.237 1.00 0.00 C ATOM 641 CG GLU A 42 10.848 7.902 -2.565 1.00 0.00 C ATOM 642 CD GLU A 42 11.370 9.339 -2.518 1.00 0.00 C ATOM 643 OE1 GLU A 42 11.578 9.861 -1.401 1.00 0.00 O ATOM 644 OE2 GLU A 42 11.586 9.940 -3.592 1.00 0.00 O ATOM 0 H GLU A 42 13.779 5.448 -1.440 1.00 0.00 H new ATOM 0 HA GLU A 42 12.792 7.968 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.780 7.029 -2.917 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.555 5.877 -2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.445 7.696 -3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.026 7.792 -1.858 1.00 0.00 H new ATOM 651 N MET A 43 11.077 5.346 0.473 1.00 0.00 N ATOM 652 CA MET A 43 10.134 4.916 1.484 1.00 0.00 C ATOM 653 C MET A 43 10.531 5.332 2.902 1.00 0.00 C ATOM 654 O MET A 43 9.656 5.429 3.764 1.00 0.00 O ATOM 655 CB MET A 43 9.873 3.406 1.417 1.00 0.00 C ATOM 656 CG MET A 43 8.513 3.035 2.028 1.00 0.00 C ATOM 657 SD MET A 43 8.572 1.736 3.283 1.00 0.00 S ATOM 658 CE MET A 43 9.193 0.396 2.245 1.00 0.00 C ATOM 0 H MET A 43 11.500 4.577 -0.047 1.00 0.00 H new ATOM 0 HA MET A 43 9.205 5.437 1.252 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.907 3.077 0.378 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.666 2.876 1.945 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.074 3.929 2.471 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.846 2.716 1.227 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.199 -0.533 2.815 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.549 0.282 1.373 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.207 0.628 1.919 1.00 0.00 H new ATOM 668 N ILE A 44 11.809 5.606 3.166 1.00 0.00 N ATOM 669 CA ILE A 44 12.242 6.159 4.447 1.00 0.00 C ATOM 670 C ILE A 44 11.616 7.543 4.570 1.00 0.00 C ATOM 671 O ILE A 44 10.836 7.771 5.490 1.00 0.00 O ATOM 672 CB ILE A 44 13.779 6.202 4.628 1.00 0.00 C ATOM 673 CG1 ILE A 44 14.414 4.800 4.535 1.00 0.00 C ATOM 674 CG2 ILE A 44 14.110 6.808 6.000 1.00 0.00 C ATOM 675 CD1 ILE A 44 15.943 4.813 4.400 1.00 0.00 C ATOM 0 H ILE A 44 12.568 5.452 2.502 1.00 0.00 H new ATOM 0 HA ILE A 44 11.905 5.501 5.248 1.00 0.00 H new ATOM 0 HB ILE A 44 14.190 6.812 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 44 14.143 4.230 5.424 1.00 0.00 H new ATOM 0 HG13 ILE A 44 13.989 4.276 3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 44 15.191 6.840 6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 44 13.707 7.819 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 44 13.667 6.195 6.785 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.312 3.789 4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 44 16.224 5.353 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.381 5.306 5.268 1.00 0.00 H new ATOM 687 N LYS A 45 11.918 8.479 3.671 1.00 0.00 N ATOM 688 CA LYS A 45 11.406 9.836 3.820 1.00 0.00 C ATOM 689 C LYS A 45 9.899 9.919 3.612 1.00 0.00 C ATOM 690 O LYS A 45 9.242 10.754 4.236 1.00 0.00 O ATOM 691 CB LYS A 45 12.202 10.802 2.940 1.00 0.00 C ATOM 692 CG LYS A 45 13.501 11.147 3.681 1.00 0.00 C ATOM 693 CD LYS A 45 14.468 11.954 2.820 1.00 0.00 C ATOM 694 CE LYS A 45 15.518 12.571 3.745 1.00 0.00 C ATOM 695 NZ LYS A 45 16.635 13.167 2.994 1.00 0.00 N ATOM 0 H LYS A 45 12.502 8.326 2.849 1.00 0.00 H new ATOM 0 HA LYS A 45 11.556 10.147 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 45 12.422 10.347 1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.623 11.704 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.262 11.713 4.582 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.988 10.226 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.943 11.313 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.935 12.733 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.050 13.335 4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.902 11.805 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.323 13.573 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.099 12.433 2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.273 13.916 2.370 1.00 0.00 H new ATOM 709 N ARG A 46 9.308 9.018 2.833 1.00 0.00 N ATOM 710 CA ARG A 46 7.876 8.953 2.644 1.00 0.00 C ATOM 711 C ARG A 46 7.152 8.376 3.868 1.00 0.00 C ATOM 712 O ARG A 46 6.070 8.865 4.177 1.00 0.00 O ATOM 713 CB ARG A 46 7.597 8.137 1.378 1.00 0.00 C ATOM 714 CG ARG A 46 7.605 8.932 0.060 1.00 0.00 C ATOM 715 CD ARG A 46 7.093 8.040 -1.081 1.00 0.00 C ATOM 716 NE ARG A 46 6.600 8.796 -2.247 1.00 0.00 N ATOM 717 CZ ARG A 46 5.850 8.264 -3.224 1.00 0.00 C ATOM 718 NH1 ARG A 46 5.716 6.944 -3.316 1.00 0.00 N ATOM 719 NH2 ARG A 46 5.204 9.012 -4.112 1.00 0.00 N ATOM 0 H ARG A 46 9.822 8.308 2.312 1.00 0.00 H new ATOM 0 HA ARG A 46 7.483 9.963 2.525 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.341 7.343 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.625 7.655 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.976 9.817 0.153 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.614 9.280 -0.161 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.897 7.378 -1.402 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.290 7.407 -0.703 1.00 0.00 H new ATOM 0 HE ARG A 46 6.844 9.784 -2.315 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.183 6.336 -2.644 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.146 6.540 -4.059 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.269 10.029 -4.065 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.644 8.569 -4.840 1.00 0.00 H new ATOM 733 N SER A 47 7.669 7.339 4.547 1.00 0.00 N ATOM 734 CA SER A 47 6.898 6.608 5.569 1.00 0.00 C ATOM 735 C SER A 47 7.545 6.529 6.951 1.00 0.00 C ATOM 736 O SER A 47 6.859 6.211 7.923 1.00 0.00 O ATOM 737 CB SER A 47 6.619 5.176 5.079 1.00 0.00 C ATOM 738 OG SER A 47 7.751 4.335 5.178 1.00 0.00 O ATOM 0 H SER A 47 8.616 6.987 4.408 1.00 0.00 H new ATOM 0 HA SER A 47 5.984 7.189 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.803 4.750 5.662 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.286 5.210 4.042 1.00 0.00 H new ATOM 0 HG SER A 47 8.523 4.776 4.765 1.00 0.00 H new ATOM 744 N GLY A 48 8.863 6.706 7.022 1.00 0.00 N ATOM 745 CA GLY A 48 9.704 6.451 8.186 1.00 0.00 C ATOM 746 C GLY A 48 9.865 4.962 8.519 1.00 0.00 C ATOM 747 O GLY A 48 10.626 4.624 9.429 1.00 0.00 O ATOM 0 H GLY A 48 9.400 7.050 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.689 6.884 8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.279 6.963 9.049 1.00 0.00 H new ATOM 751 N ARG A 49 9.196 4.051 7.800 1.00 0.00 N ATOM 752 CA ARG A 49 9.099 2.650 8.198 1.00 0.00 C ATOM 753 C ARG A 49 10.202 1.768 7.632 1.00 0.00 C ATOM 754 O ARG A 49 11.031 1.292 8.396 1.00 0.00 O ATOM 755 CB ARG A 49 7.705 2.083 7.889 1.00 0.00 C ATOM 756 CG ARG A 49 6.553 2.914 8.480 1.00 0.00 C ATOM 757 CD ARG A 49 5.458 2.032 9.082 1.00 0.00 C ATOM 758 NE ARG A 49 5.827 1.496 10.404 1.00 0.00 N ATOM 759 CZ ARG A 49 4.982 0.917 11.264 1.00 0.00 C ATOM 760 NH1 ARG A 49 3.685 0.809 10.989 1.00 0.00 N ATOM 761 NH2 ARG A 49 5.453 0.446 12.407 1.00 0.00 N ATOM 0 H ARG A 49 8.710 4.268 6.930 1.00 0.00 H new ATOM 0 HA ARG A 49 9.247 2.636 9.278 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.579 2.022 6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.643 1.066 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.944 3.581 9.248 1.00 0.00 H new ATOM 0 HG3 ARG A 49 6.123 3.543 7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.539 2.611 9.172 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.249 1.205 8.404 1.00 0.00 H new ATOM 0 HE ARG A 49 6.804 1.573 10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.318 1.171 10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.057 0.364 11.658 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.447 0.527 12.621 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.822 0.002 13.074 1.00 0.00 H new ATOM 775 N THR A 50 10.176 1.509 6.322 1.00 0.00 N ATOM 776 CA THR A 50 10.946 0.529 5.538 1.00 0.00 C ATOM 777 C THR A 50 10.290 -0.858 5.607 1.00 0.00 C ATOM 778 O THR A 50 10.665 -1.773 4.868 1.00 0.00 O ATOM 779 CB THR A 50 12.458 0.480 5.824 1.00 0.00 C ATOM 780 OG1 THR A 50 12.789 -0.071 7.083 1.00 0.00 O ATOM 781 CG2 THR A 50 13.124 1.844 5.684 1.00 0.00 C ATOM 0 H THR A 50 9.548 2.036 5.716 1.00 0.00 H new ATOM 0 HA THR A 50 10.903 0.891 4.511 1.00 0.00 H new ATOM 0 HB THR A 50 12.847 -0.191 5.058 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.020 0.005 7.686 1.00 0.00 H new ATOM 0 HG21 THR A 50 14.189 1.752 5.896 1.00 0.00 H new ATOM 0 HG22 THR A 50 12.987 2.213 4.668 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.673 2.543 6.388 1.00 0.00 H new ATOM 789 N THR A 51 9.283 -1.012 6.463 1.00 0.00 N ATOM 790 CA THR A 51 8.409 -2.163 6.513 1.00 0.00 C ATOM 791 C THR A 51 7.458 -2.083 5.319 1.00 0.00 C ATOM 792 O THR A 51 7.376 -1.058 4.632 1.00 0.00 O ATOM 793 CB THR A 51 7.667 -2.161 7.866 1.00 0.00 C ATOM 794 OG1 THR A 51 6.633 -1.200 7.892 1.00 0.00 O ATOM 795 CG2 THR A 51 8.581 -1.876 9.064 1.00 0.00 C ATOM 0 H THR A 51 9.051 -0.308 7.164 1.00 0.00 H new ATOM 0 HA THR A 51 8.960 -3.101 6.446 1.00 0.00 H new ATOM 0 HB THR A 51 7.265 -3.170 7.956 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.787 -1.622 7.633 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.993 -1.890 9.982 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.357 -2.639 9.119 1.00 0.00 H new ATOM 0 HG23 THR A 51 9.043 -0.896 8.944 1.00 0.00 H new ATOM 803 N VAL A 52 6.701 -3.144 5.089 1.00 0.00 N ATOM 804 CA VAL A 52 5.668 -3.202 4.075 1.00 0.00 C ATOM 805 C VAL A 52 4.500 -4.081 4.560 1.00 0.00 C ATOM 806 O VAL A 52 4.683 -4.897 5.471 1.00 0.00 O ATOM 807 CB VAL A 52 6.265 -3.666 2.724 1.00 0.00 C ATOM 808 CG1 VAL A 52 6.639 -2.466 1.856 1.00 0.00 C ATOM 809 CG2 VAL A 52 7.488 -4.587 2.814 1.00 0.00 C ATOM 0 H VAL A 52 6.793 -4.011 5.619 1.00 0.00 H new ATOM 0 HA VAL A 52 5.260 -2.206 3.904 1.00 0.00 H new ATOM 0 HB VAL A 52 5.464 -4.257 2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.056 -2.816 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.749 -1.867 1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.378 -1.857 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.821 -4.849 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.292 -4.073 3.341 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.221 -5.495 3.356 1.00 0.00 H new ATOM 819 N PRO A 53 3.303 -3.958 3.954 1.00 0.00 N ATOM 820 CA PRO A 53 2.969 -2.994 2.914 1.00 0.00 C ATOM 821 C PRO A 53 2.929 -1.574 3.478 1.00 0.00 C ATOM 822 O PRO A 53 2.753 -1.367 4.674 1.00 0.00 O ATOM 823 CB PRO A 53 1.601 -3.410 2.375 1.00 0.00 C ATOM 824 CG PRO A 53 0.960 -4.121 3.563 1.00 0.00 C ATOM 825 CD PRO A 53 2.137 -4.739 4.314 1.00 0.00 C ATOM 0 HA PRO A 53 3.719 -2.989 2.123 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.014 -2.548 2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.692 -4.070 1.512 1.00 0.00 H new ATOM 0 HG2 PRO A 53 0.408 -3.424 4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.253 -4.883 3.236 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.968 -4.713 5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.269 -5.785 4.037 1.00 0.00 H new ATOM 833 N GLN A 54 3.064 -0.605 2.582 1.00 0.00 N ATOM 834 CA GLN A 54 2.953 0.819 2.840 1.00 0.00 C ATOM 835 C GLN A 54 2.005 1.358 1.788 1.00 0.00 C ATOM 836 O GLN A 54 2.422 1.490 0.638 1.00 0.00 O ATOM 837 CB GLN A 54 4.353 1.482 2.823 1.00 0.00 C ATOM 838 CG GLN A 54 4.758 2.235 4.095 1.00 0.00 C ATOM 839 CD GLN A 54 4.542 1.483 5.400 1.00 0.00 C ATOM 840 OE1 GLN A 54 3.664 1.858 6.173 1.00 0.00 O ATOM 841 NE2 GLN A 54 5.340 0.481 5.706 1.00 0.00 N ATOM 0 H GLN A 54 3.265 -0.806 1.602 1.00 0.00 H new ATOM 0 HA GLN A 54 2.555 1.040 3.830 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.097 0.709 2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.393 2.178 1.985 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.813 2.500 4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.197 3.169 4.137 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.063 0.186 5.049 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.235 0.000 6.600 1.00 0.00 H new ATOM 850 N ILE A 55 0.733 1.570 2.142 1.00 0.00 N ATOM 851 CA ILE A 55 -0.185 2.294 1.264 1.00 0.00 C ATOM 852 C ILE A 55 0.020 3.782 1.517 1.00 0.00 C ATOM 853 O ILE A 55 0.181 4.221 2.664 1.00 0.00 O ATOM 854 CB ILE A 55 -1.695 1.958 1.418 1.00 0.00 C ATOM 855 CG1 ILE A 55 -1.998 0.604 2.079 1.00 0.00 C ATOM 856 CG2 ILE A 55 -2.392 2.017 0.051 1.00 0.00 C ATOM 857 CD1 ILE A 55 -2.074 0.801 3.590 1.00 0.00 C ATOM 0 H ILE A 55 0.322 1.254 3.020 1.00 0.00 H new ATOM 0 HA ILE A 55 0.060 1.982 0.249 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.083 2.718 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.939 0.203 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.221 -0.119 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.449 1.780 0.171 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.290 3.019 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.932 1.294 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.289 -0.153 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.122 1.185 3.955 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.866 1.512 3.825 1.00 0.00 H new ATOM 869 N PHE A 56 -0.061 4.538 0.437 1.00 0.00 N ATOM 870 CA PHE A 56 -0.133 5.969 0.364 1.00 0.00 C ATOM 871 C PHE A 56 -1.339 6.247 -0.520 1.00 0.00 C ATOM 872 O PHE A 56 -1.510 5.562 -1.529 1.00 0.00 O ATOM 873 CB PHE A 56 1.132 6.499 -0.296 1.00 0.00 C ATOM 874 CG PHE A 56 2.325 6.520 0.619 1.00 0.00 C ATOM 875 CD1 PHE A 56 2.953 5.323 1.010 1.00 0.00 C ATOM 876 CD2 PHE A 56 2.790 7.752 1.097 1.00 0.00 C ATOM 877 CE1 PHE A 56 3.994 5.362 1.946 1.00 0.00 C ATOM 878 CE2 PHE A 56 3.862 7.796 1.991 1.00 0.00 C ATOM 879 CZ PHE A 56 4.431 6.599 2.446 1.00 0.00 C ATOM 0 H PHE A 56 -0.079 4.117 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.223 6.442 1.342 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.363 5.884 -1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.946 7.509 -0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.634 4.380 0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 56 2.319 8.669 0.774 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.458 4.446 2.281 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.250 8.746 2.329 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.214 6.628 3.189 1.00 0.00 H new ATOM 889 N ILE A 57 -2.189 7.194 -0.144 1.00 0.00 N ATOM 890 CA ILE A 57 -3.403 7.529 -0.873 1.00 0.00 C ATOM 891 C ILE A 57 -3.345 9.049 -1.011 1.00 0.00 C ATOM 892 O ILE A 57 -3.399 9.742 0.002 1.00 0.00 O ATOM 893 CB ILE A 57 -4.620 6.962 -0.105 1.00 0.00 C ATOM 894 CG1 ILE A 57 -4.539 5.415 -0.025 1.00 0.00 C ATOM 895 CG2 ILE A 57 -5.939 7.372 -0.763 1.00 0.00 C ATOM 896 CD1 ILE A 57 -5.733 4.725 0.647 1.00 0.00 C ATOM 0 H ILE A 57 -2.050 7.761 0.692 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.497 7.092 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.593 7.379 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.436 5.021 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.633 5.144 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.773 6.956 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.016 8.459 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.969 6.993 -1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.575 3.646 0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.829 5.081 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.644 4.957 0.096 1.00 0.00 H new ATOM 908 N ASP A 58 -3.130 9.554 -2.233 1.00 0.00 N ATOM 909 CA ASP A 58 -2.811 10.960 -2.515 1.00 0.00 C ATOM 910 C ASP A 58 -1.795 11.521 -1.533 1.00 0.00 C ATOM 911 O ASP A 58 -2.074 12.430 -0.739 1.00 0.00 O ATOM 912 CB ASP A 58 -4.009 11.896 -2.733 1.00 0.00 C ATOM 913 CG ASP A 58 -5.058 11.350 -3.674 1.00 0.00 C ATOM 914 OD1 ASP A 58 -4.696 11.096 -4.843 1.00 0.00 O ATOM 915 OD2 ASP A 58 -6.233 11.198 -3.286 1.00 0.00 O ATOM 0 H ASP A 58 -3.174 8.981 -3.075 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.345 10.930 -3.500 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.474 12.103 -1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.647 12.847 -3.123 1.00 0.00 H new ATOM 920 N ALA A 59 -0.598 10.936 -1.581 1.00 0.00 N ATOM 921 CA ALA A 59 0.593 11.245 -0.810 1.00 0.00 C ATOM 922 C ALA A 59 0.469 10.901 0.672 1.00 0.00 C ATOM 923 O ALA A 59 1.478 10.908 1.378 1.00 0.00 O ATOM 924 CB ALA A 59 1.006 12.702 -1.027 1.00 0.00 C ATOM 0 H ALA A 59 -0.429 10.162 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 59 1.387 10.599 -1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.900 12.918 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.215 12.867 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.197 13.360 -0.710 1.00 0.00 H new ATOM 930 N GLN A 60 -0.734 10.575 1.138 1.00 0.00 N ATOM 931 CA GLN A 60 -1.050 10.436 2.546 1.00 0.00 C ATOM 932 C GLN A 60 -0.679 9.026 2.984 1.00 0.00 C ATOM 933 O GLN A 60 -1.317 8.057 2.573 1.00 0.00 O ATOM 934 CB GLN A 60 -2.529 10.776 2.776 1.00 0.00 C ATOM 935 CG GLN A 60 -2.777 11.365 4.169 1.00 0.00 C ATOM 936 CD GLN A 60 -4.242 11.738 4.377 1.00 0.00 C ATOM 937 OE1 GLN A 60 -4.854 11.336 5.361 1.00 0.00 O ATOM 938 NE2 GLN A 60 -4.853 12.465 3.455 1.00 0.00 N ATOM 0 H GLN A 60 -1.531 10.397 0.527 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.476 11.133 3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.859 11.487 2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.131 9.876 2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.475 10.643 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.154 12.249 4.305 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.336 12.795 2.640 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.841 12.695 3.559 1.00 0.00 H new ATOM 947 N HIS A 61 0.388 8.892 3.769 1.00 0.00 N ATOM 948 CA HIS A 61 0.852 7.617 4.301 1.00 0.00 C ATOM 949 C HIS A 61 -0.229 7.033 5.213 1.00 0.00 C ATOM 950 O HIS A 61 -0.512 7.606 6.267 1.00 0.00 O ATOM 951 CB HIS A 61 2.163 7.847 5.069 1.00 0.00 C ATOM 952 CG HIS A 61 2.705 6.623 5.768 1.00 0.00 C ATOM 953 ND1 HIS A 61 3.408 6.659 6.956 1.00 0.00 N ATOM 954 CD2 HIS A 61 2.523 5.311 5.409 1.00 0.00 C ATOM 955 CE1 HIS A 61 3.624 5.389 7.339 1.00 0.00 C ATOM 956 NE2 HIS A 61 3.092 4.554 6.422 1.00 0.00 N ATOM 0 H HIS A 61 0.964 9.683 4.057 1.00 0.00 H new ATOM 0 HA HIS A 61 1.041 6.908 3.495 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.917 8.215 4.373 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.002 8.631 5.809 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.036 4.943 4.518 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.141 5.085 8.237 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.106 3.535 6.467 1.00 0.00 H new ATOM 965 N ILE A 62 -0.820 5.900 4.837 1.00 0.00 N ATOM 966 CA ILE A 62 -1.877 5.235 5.587 1.00 0.00 C ATOM 967 C ILE A 62 -1.273 4.293 6.634 1.00 0.00 C ATOM 968 O ILE A 62 -1.425 4.519 7.835 1.00 0.00 O ATOM 969 CB ILE A 62 -2.800 4.514 4.582 1.00 0.00 C ATOM 970 CG1 ILE A 62 -3.298 5.462 3.473 1.00 0.00 C ATOM 971 CG2 ILE A 62 -3.988 3.806 5.251 1.00 0.00 C ATOM 972 CD1 ILE A 62 -4.062 6.701 3.966 1.00 0.00 C ATOM 0 H ILE A 62 -0.568 5.409 3.979 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.478 5.955 6.143 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.181 3.742 4.126 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.440 5.793 2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.945 4.900 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.597 3.319 4.489 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.618 3.058 5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.593 4.538 5.786 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.369 7.303 3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -4.944 6.386 4.524 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.415 7.294 4.613 1.00 0.00 H new ATOM 984 N GLY A 63 -0.577 3.239 6.206 1.00 0.00 N ATOM 985 CA GLY A 63 -0.155 2.157 7.084 1.00 0.00 C ATOM 986 C GLY A 63 0.056 0.900 6.253 1.00 0.00 C ATOM 987 O GLY A 63 0.592 1.003 5.147 1.00 0.00 O ATOM 0 H GLY A 63 -0.291 3.115 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.767 2.427 7.599 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.908 1.979 7.852 1.00 0.00 H new ATOM 991 N GLY A 64 -0.386 -0.254 6.754 1.00 0.00 N ATOM 992 CA GLY A 64 -0.312 -1.557 6.093 1.00 0.00 C ATOM 993 C GLY A 64 -1.697 -2.190 5.939 1.00 0.00 C ATOM 994 O GLY A 64 -2.702 -1.489 6.043 1.00 0.00 O ATOM 0 H GLY A 64 -0.825 -0.308 7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.147 -1.442 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.331 -2.222 6.670 1.00 0.00 H new ATOM 998 N TYR A 65 -1.771 -3.490 5.612 1.00 0.00 N ATOM 999 CA TYR A 65 -3.035 -4.124 5.218 1.00 0.00 C ATOM 1000 C TYR A 65 -4.110 -3.995 6.279 1.00 0.00 C ATOM 1001 O TYR A 65 -5.249 -3.759 5.913 1.00 0.00 O ATOM 1002 CB TYR A 65 -2.891 -5.601 4.821 1.00 0.00 C ATOM 1003 CG TYR A 65 -4.203 -6.356 4.671 1.00 0.00 C ATOM 1004 CD1 TYR A 65 -5.103 -6.029 3.641 1.00 0.00 C ATOM 1005 CD2 TYR A 65 -4.551 -7.356 5.601 1.00 0.00 C ATOM 1006 CE1 TYR A 65 -6.296 -6.754 3.470 1.00 0.00 C ATOM 1007 CE2 TYR A 65 -5.763 -8.053 5.469 1.00 0.00 C ATOM 1008 CZ TYR A 65 -6.630 -7.776 4.387 1.00 0.00 C ATOM 1009 OH TYR A 65 -7.759 -8.518 4.228 1.00 0.00 O ATOM 0 H TYR A 65 -0.969 -4.121 5.613 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.342 -3.569 4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.347 -5.657 3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -2.282 -6.106 5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.875 -5.211 2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.883 -7.587 6.418 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -6.953 -6.531 2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -6.034 -8.804 6.197 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.431 -8.236 4.883 1.00 0.00 H new ATOM 1019 N ASP A 66 -3.765 -4.127 7.554 1.00 0.00 N ATOM 1020 CA ASP A 66 -4.761 -4.027 8.623 1.00 0.00 C ATOM 1021 C ASP A 66 -5.406 -2.634 8.595 1.00 0.00 C ATOM 1022 O ASP A 66 -6.627 -2.501 8.592 1.00 0.00 O ATOM 1023 CB ASP A 66 -4.102 -4.339 9.972 1.00 0.00 C ATOM 1024 CG ASP A 66 -4.946 -3.952 11.186 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.171 -4.201 11.180 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -4.348 -3.459 12.173 1.00 0.00 O ATOM 0 H ASP A 66 -2.813 -4.302 7.875 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.555 -4.758 8.472 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.885 -5.406 10.020 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.147 -3.817 10.026 1.00 0.00 H new ATOM 1031 N ASP A 67 -4.586 -1.591 8.434 1.00 0.00 N ATOM 1032 CA ASP A 67 -5.073 -0.211 8.313 1.00 0.00 C ATOM 1033 C ASP A 67 -5.896 -0.022 7.037 1.00 0.00 C ATOM 1034 O ASP A 67 -6.889 0.700 7.044 1.00 0.00 O ATOM 1035 CB ASP A 67 -3.919 0.807 8.325 1.00 0.00 C ATOM 1036 CG ASP A 67 -3.666 1.398 9.707 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -4.493 2.205 10.192 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.597 1.105 10.285 1.00 0.00 O ATOM 0 H ASP A 67 -3.571 -1.677 8.384 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.707 -0.030 9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.009 0.322 7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.144 1.613 7.626 1.00 0.00 H new ATOM 1043 N LEU A 68 -5.486 -0.644 5.931 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.150 -0.553 4.632 1.00 0.00 C ATOM 1045 C LEU A 68 -7.501 -1.246 4.658 1.00 0.00 C ATOM 1046 O LEU A 68 -8.479 -0.747 4.109 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.229 -1.211 3.585 1.00 0.00 C ATOM 1048 CG LEU A 68 -5.625 -1.167 2.095 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -6.581 -2.291 1.684 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -6.134 0.206 1.649 1.00 0.00 C ATOM 0 H LEU A 68 -4.660 -1.242 5.915 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.329 0.493 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.247 -0.748 3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.114 -2.259 3.862 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.695 -1.346 1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.817 -2.198 0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.108 -3.256 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.499 -2.220 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.396 0.171 0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.015 0.475 2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.354 0.951 1.805 1.00 0.00 H new ATOM 1062 N TYR A 69 -7.554 -2.421 5.261 1.00 0.00 N ATOM 1063 CA TYR A 69 -8.733 -3.243 5.296 1.00 0.00 C ATOM 1064 C TYR A 69 -9.726 -2.635 6.287 1.00 0.00 C ATOM 1065 O TYR A 69 -10.933 -2.703 6.059 1.00 0.00 O ATOM 1066 CB TYR A 69 -8.291 -4.653 5.684 1.00 0.00 C ATOM 1067 CG TYR A 69 -9.346 -5.731 5.630 1.00 0.00 C ATOM 1068 CD1 TYR A 69 -10.328 -5.719 4.620 1.00 0.00 C ATOM 1069 CD2 TYR A 69 -9.254 -6.830 6.503 1.00 0.00 C ATOM 1070 CE1 TYR A 69 -11.158 -6.832 4.426 1.00 0.00 C ATOM 1071 CE2 TYR A 69 -10.110 -7.929 6.339 1.00 0.00 C ATOM 1072 CZ TYR A 69 -11.031 -7.951 5.272 1.00 0.00 C ATOM 1073 OH TYR A 69 -11.762 -9.063 5.032 1.00 0.00 O ATOM 0 H TYR A 69 -6.757 -2.832 5.748 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.238 -3.294 4.332 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.471 -4.946 5.028 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.891 -4.618 6.697 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.442 -4.848 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.524 -6.828 7.299 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -11.891 -6.831 3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.064 -8.758 7.030 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.555 -9.742 5.707 1.00 0.00 H new ATOM 1083 N ALA A 70 -9.239 -1.996 7.357 1.00 0.00 N ATOM 1084 CA ALA A 70 -10.062 -1.183 8.233 1.00 0.00 C ATOM 1085 C ALA A 70 -10.581 0.041 7.467 1.00 0.00 C ATOM 1086 O ALA A 70 -11.762 0.375 7.586 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.257 -0.767 9.469 1.00 0.00 C ATOM 0 H ALA A 70 -8.258 -2.034 7.633 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.921 -1.763 8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.882 -0.157 10.122 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.931 -1.657 10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.385 -0.191 9.159 1.00 0.00 H new ATOM 1093 N LEU A 71 -9.733 0.718 6.680 1.00 0.00 N ATOM 1094 CA LEU A 71 -10.132 1.854 5.859 1.00 0.00 C ATOM 1095 C LEU A 71 -11.271 1.454 4.915 1.00 0.00 C ATOM 1096 O LEU A 71 -12.262 2.175 4.772 1.00 0.00 O ATOM 1097 CB LEU A 71 -8.901 2.405 5.123 1.00 0.00 C ATOM 1098 CG LEU A 71 -9.204 3.552 4.153 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -9.922 4.701 4.859 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -7.904 4.059 3.521 1.00 0.00 C ATOM 0 H LEU A 71 -8.743 0.485 6.600 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.522 2.657 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.177 2.751 5.860 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.430 1.593 4.570 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.863 3.170 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.123 5.499 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.863 4.341 5.275 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.293 5.084 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.128 4.874 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.235 4.418 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.423 3.246 2.977 1.00 0.00 H new ATOM 1112 N ASP A 72 -11.148 0.284 4.291 1.00 0.00 N ATOM 1113 CA ASP A 72 -12.195 -0.282 3.457 1.00 0.00 C ATOM 1114 C ASP A 72 -13.446 -0.615 4.263 1.00 0.00 C ATOM 1115 O ASP A 72 -14.554 -0.346 3.806 1.00 0.00 O ATOM 1116 CB ASP A 72 -11.697 -1.507 2.686 1.00 0.00 C ATOM 1117 CG ASP A 72 -12.821 -2.033 1.796 1.00 0.00 C ATOM 1118 OD1 ASP A 72 -13.106 -1.376 0.771 1.00 0.00 O ATOM 1119 OD2 ASP A 72 -13.455 -3.051 2.151 1.00 0.00 O ATOM 0 H ASP A 72 -10.312 -0.298 4.353 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.469 0.482 2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.831 -1.242 2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.375 -2.282 3.381 1.00 0.00 H new ATOM 1124 N ALA A 73 -13.297 -1.105 5.493 1.00 0.00 N ATOM 1125 CA ALA A 73 -14.427 -1.483 6.338 1.00 0.00 C ATOM 1126 C ALA A 73 -15.279 -0.266 6.690 1.00 0.00 C ATOM 1127 O ALA A 73 -16.506 -0.366 6.727 1.00 0.00 O ATOM 1128 CB ALA A 73 -13.955 -2.183 7.615 1.00 0.00 C ATOM 0 H ALA A 73 -12.388 -1.251 5.932 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.039 -2.183 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -14.819 -2.452 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.401 -3.084 7.352 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.308 -1.512 8.180 1.00 0.00 H new ATOM 1134 N ARG A 74 -14.657 0.905 6.874 1.00 0.00 N ATOM 1135 CA ARG A 74 -15.397 2.146 7.112 1.00 0.00 C ATOM 1136 C ARG A 74 -15.972 2.732 5.827 1.00 0.00 C ATOM 1137 O ARG A 74 -16.616 3.781 5.865 1.00 0.00 O ATOM 1138 CB ARG A 74 -14.578 3.150 7.941 1.00 0.00 C ATOM 1139 CG ARG A 74 -13.428 3.840 7.195 1.00 0.00 C ATOM 1140 CD ARG A 74 -12.882 5.028 7.989 1.00 0.00 C ATOM 1141 NE ARG A 74 -12.072 5.925 7.151 1.00 0.00 N ATOM 1142 CZ ARG A 74 -11.625 7.132 7.514 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -11.773 7.572 8.760 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -11.030 7.901 6.612 1.00 0.00 N ATOM 0 H ARG A 74 -13.643 1.017 6.862 1.00 0.00 H new ATOM 0 HA ARG A 74 -16.264 1.897 7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.253 3.917 8.321 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.167 2.630 8.806 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.628 3.123 7.014 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.777 4.181 6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.712 5.587 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.277 4.662 8.819 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.831 5.599 6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -12.234 6.986 9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.426 8.495 9.019 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.918 7.570 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.685 8.824 6.876 1.00 0.00 H new ATOM 1158 N GLY A 75 -15.730 2.091 4.684 1.00 0.00 N ATOM 1159 CA GLY A 75 -16.149 2.577 3.379 1.00 0.00 C ATOM 1160 C GLY A 75 -15.379 3.824 2.970 1.00 0.00 C ATOM 1161 O GLY A 75 -15.874 4.588 2.143 1.00 0.00 O ATOM 0 H GLY A 75 -15.228 1.204 4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.999 1.796 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -17.216 2.798 3.398 1.00 0.00 H new ATOM 1165 N GLY A 76 -14.203 4.055 3.561 1.00 0.00 N ATOM 1166 CA GLY A 76 -13.392 5.238 3.305 1.00 0.00 C ATOM 1167 C GLY A 76 -12.289 4.968 2.287 1.00 0.00 C ATOM 1168 O GLY A 76 -11.600 5.906 1.890 1.00 0.00 O ATOM 0 H GLY A 76 -13.787 3.415 4.238 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -14.031 6.043 2.942 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.947 5.581 4.239 1.00 0.00 H new ATOM 1172 N LEU A 77 -12.099 3.709 1.876 1.00 0.00 N ATOM 1173 CA LEU A 77 -11.205 3.359 0.782 1.00 0.00 C ATOM 1174 C LEU A 77 -11.897 3.669 -0.543 1.00 0.00 C ATOM 1175 O LEU A 77 -11.323 4.341 -1.393 1.00 0.00 O ATOM 1176 CB LEU A 77 -10.815 1.873 0.873 1.00 0.00 C ATOM 1177 CG LEU A 77 -9.883 1.431 -0.262 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -8.562 2.216 -0.271 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -9.587 -0.065 -0.139 1.00 0.00 C ATOM 0 H LEU A 77 -12.566 2.906 2.298 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.289 3.946 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.327 1.688 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -11.718 1.263 0.853 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.397 1.637 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.937 1.866 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.771 3.278 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.040 2.061 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.925 -0.373 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.106 -0.263 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.519 -0.627 -0.200 1.00 0.00 H new ATOM 1191 N ASP A 78 -13.136 3.194 -0.698 1.00 0.00 N ATOM 1192 CA ASP A 78 -13.954 3.309 -1.907 1.00 0.00 C ATOM 1193 C ASP A 78 -13.957 4.710 -2.526 1.00 0.00 C ATOM 1194 O ASP A 78 -13.655 4.812 -3.716 1.00 0.00 O ATOM 1195 CB ASP A 78 -15.392 2.824 -1.648 1.00 0.00 C ATOM 1196 CG ASP A 78 -15.616 1.450 -2.269 1.00 0.00 C ATOM 1197 OD1 ASP A 78 -15.968 1.353 -3.468 1.00 0.00 O ATOM 1198 OD2 ASP A 78 -15.376 0.448 -1.558 1.00 0.00 O ATOM 0 H ASP A 78 -13.617 2.696 0.051 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.483 2.658 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -15.578 2.779 -0.575 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -16.103 3.538 -2.065 1.00 0.00 H new ATOM 1203 N PRO A 79 -14.274 5.798 -1.794 1.00 0.00 N ATOM 1204 CA PRO A 79 -14.336 7.126 -2.391 1.00 0.00 C ATOM 1205 C PRO A 79 -12.958 7.671 -2.787 1.00 0.00 C ATOM 1206 O PRO A 79 -12.892 8.609 -3.584 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.028 8.022 -1.356 1.00 0.00 C ATOM 1208 CG PRO A 79 -14.717 7.336 -0.029 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.722 5.858 -0.411 1.00 0.00 C ATOM 0 HA PRO A 79 -14.892 7.094 -3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -14.640 9.040 -1.383 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.102 8.086 -1.533 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.753 7.648 0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.466 7.561 0.730 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.060 5.285 0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.719 5.431 -0.305 1.00 0.00 H new ATOM 1217 N LEU A 80 -11.864 7.100 -2.271 1.00 0.00 N ATOM 1218 CA LEU A 80 -10.494 7.431 -2.659 1.00 0.00 C ATOM 1219 C LEU A 80 -9.997 6.494 -3.768 1.00 0.00 C ATOM 1220 O LEU A 80 -8.895 6.672 -4.282 1.00 0.00 O ATOM 1221 CB LEU A 80 -9.577 7.404 -1.423 1.00 0.00 C ATOM 1222 CG LEU A 80 -9.841 8.584 -0.461 1.00 0.00 C ATOM 1223 CD1 LEU A 80 -9.192 8.350 0.907 1.00 0.00 C ATOM 1224 CD2 LEU A 80 -9.314 9.917 -1.016 1.00 0.00 C ATOM 0 H LEU A 80 -11.911 6.376 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.473 8.441 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.721 6.465 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.536 7.430 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.924 8.641 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.398 9.200 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.601 7.444 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.115 8.240 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.523 10.716 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.238 9.845 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.807 10.137 -1.963 1.00 0.00 H new ATOM 1236 N LEU A 81 -10.804 5.523 -4.195 1.00 0.00 N ATOM 1237 CA LEU A 81 -10.570 4.686 -5.368 1.00 0.00 C ATOM 1238 C LEU A 81 -11.748 4.836 -6.318 1.00 0.00 C ATOM 1239 O LEU A 81 -12.258 3.864 -6.878 1.00 0.00 O ATOM 1240 CB LEU A 81 -10.289 3.241 -4.939 1.00 0.00 C ATOM 1241 CG LEU A 81 -8.825 3.074 -4.508 1.00 0.00 C ATOM 1242 CD1 LEU A 81 -8.665 1.716 -3.845 1.00 0.00 C ATOM 1243 CD2 LEU A 81 -7.865 3.147 -5.704 1.00 0.00 C ATOM 0 H LEU A 81 -11.672 5.290 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.681 5.006 -5.911 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.949 2.967 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.509 2.563 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.580 3.885 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.629 1.583 -3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.317 1.658 -2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.934 0.932 -4.552 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.840 3.024 -5.355 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.105 2.354 -6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.968 4.115 -6.195 1.00 0.00 H new