USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 844 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 126 HIS : no HD1:sc= -5.25! C(o=-7.8!,f=-3.4!) USER MOD Set 1.2: A 130 ASN : amide:sc= -2.54! K(o=-7.8!,f=-3.4) USER MOD Set 2.1: A 97 HIS : no HE2:sc= -3.17 X(o=-3.2,f=-3.6!) USER MOD Set 2.2: A 121 MET CE :methyl -169:sc= -0.0686 (180deg=-0.38) USER MOD Set 3.1: A 61 THR OG1 : rot 180:sc= -0.763 USER MOD Set 3.2: A 70 SER OG : rot 120:sc= 1.16 USER MOD Set 3.3: A 81 THR OG1 : rot 180:sc= 0.847 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0615) USER MOD Single : A 14 ASN : amide:sc= -0.36 K(o=-0.36,f=-3.3!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -172:sc= -1.1 USER MOD Single : A 26 THR OG1 : rot -102:sc= 1.04 USER MOD Single : A 27 SER OG : rot 22:sc= -2.67 USER MOD Single : A 35 MET CE :methyl -169:sc= -3.21! (180deg=-3.64!) USER MOD Single : A 37 ASN : amide:sc= -8.25! C(o=-8.2!,f=-14!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -5.51! C(o=-5.5!,f=-7.6!) USER MOD Single : A 46 HIS : no HD1:sc=-0.00839 X(o=-0.0084,f=-0.012) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 50 GLN : amide:sc= -0.0662 X(o=-0.066,f=0) USER MOD Single : A 51 SER OG : rot -65:sc= 1.75 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 9:sc= -0.539 USER MOD Single : A 59 GLN : amide:sc=-0.00442 X(o=-0.0044,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -0.0343 X(o=-0.034,f=-0.089) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0231 X(o=-0.023,f=-0.056) USER MOD Single : A 91 THR OG1 : rot 103:sc= 0.762 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.899 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0207 USER MOD Single : A 135 GLN : amide:sc= -0.0024 X(o=-0.0024,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ILE A 7 -1.741 8.688 -7.289 1.00 0.00 N ATOM 102 CA ILE A 7 -2.082 8.787 -5.880 1.00 0.00 C ATOM 103 C ILE A 7 -0.817 8.605 -5.039 1.00 0.00 C ATOM 104 O ILE A 7 -0.679 7.613 -4.325 1.00 0.00 O ATOM 105 CB ILE A 7 -3.200 7.803 -5.530 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.543 8.275 -6.092 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.264 7.560 -4.021 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.576 7.147 -6.063 1.00 0.00 C ATOM 0 HA ILE A 7 -2.476 9.777 -5.652 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.972 6.847 -6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.907 9.122 -5.510 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.410 8.625 -7.116 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.067 6.857 -3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.315 7.147 -3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.455 8.503 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.521 7.509 -6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.219 6.312 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.724 6.816 -5.035 1.00 0.00 H new ATOM 120 N LYS A 8 0.074 9.579 -5.151 1.00 0.00 N ATOM 121 CA LYS A 8 1.323 9.539 -4.410 1.00 0.00 C ATOM 122 C LYS A 8 1.099 10.112 -3.009 1.00 0.00 C ATOM 123 O LYS A 8 0.688 11.262 -2.864 1.00 0.00 O ATOM 124 CB LYS A 8 2.433 10.244 -5.192 1.00 0.00 C ATOM 125 CG LYS A 8 3.618 10.577 -4.282 1.00 0.00 C ATOM 126 CD LYS A 8 4.639 11.453 -5.011 1.00 0.00 C ATOM 127 CE LYS A 8 5.871 11.701 -4.138 1.00 0.00 C ATOM 128 NZ LYS A 8 6.598 12.905 -4.599 1.00 0.00 N ATOM 0 H LYS A 8 -0.044 10.401 -5.744 1.00 0.00 H new ATOM 0 HA LYS A 8 1.658 8.509 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.767 9.607 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.044 11.159 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.262 11.092 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.096 9.656 -3.949 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.939 10.971 -5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.181 12.405 -5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.568 11.827 -3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.531 10.834 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.431 13.059 -3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.903 12.770 -5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.971 13.733 -4.541 1.00 0.00 H new ATOM 142 N LYS A 9 1.377 9.283 -2.013 1.00 0.00 N ATOM 143 CA LYS A 9 1.210 9.693 -0.629 1.00 0.00 C ATOM 144 C LYS A 9 2.497 9.397 0.144 1.00 0.00 C ATOM 145 O LYS A 9 3.353 8.652 -0.331 1.00 0.00 O ATOM 146 CB LYS A 9 -0.035 9.042 -0.024 1.00 0.00 C ATOM 147 CG LYS A 9 -1.161 10.064 0.145 1.00 0.00 C ATOM 148 CD LYS A 9 -1.906 10.281 -1.174 1.00 0.00 C ATOM 149 CE LYS A 9 -3.153 11.143 -0.963 1.00 0.00 C ATOM 150 NZ LYS A 9 -2.772 12.515 -0.557 1.00 0.00 N ATOM 0 H LYS A 9 1.717 8.329 -2.137 1.00 0.00 H new ATOM 0 HA LYS A 9 1.041 10.768 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.372 8.227 -0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.212 8.605 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.858 9.719 0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.749 11.011 0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.245 10.762 -1.895 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.192 9.318 -1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.738 11.179 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.788 10.694 -0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.619 13.118 -0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.338 12.490 0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.091 12.903 -1.240 1.00 0.00 H new ATOM 164 N GLU A 10 2.592 9.995 1.322 1.00 0.00 N ATOM 165 CA GLU A 10 3.760 9.805 2.166 1.00 0.00 C ATOM 166 C GLU A 10 3.388 9.998 3.638 1.00 0.00 C ATOM 167 O GLU A 10 2.601 10.882 3.972 1.00 0.00 O ATOM 168 CB GLU A 10 4.891 10.750 1.758 1.00 0.00 C ATOM 169 CG GLU A 10 6.183 10.413 2.504 1.00 0.00 C ATOM 170 CD GLU A 10 6.372 11.330 3.715 1.00 0.00 C ATOM 171 OE1 GLU A 10 6.844 12.467 3.498 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.041 10.872 4.830 1.00 0.00 O ATOM 0 H GLU A 10 1.879 10.612 1.712 1.00 0.00 H new ATOM 0 HA GLU A 10 4.118 8.784 2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.059 10.680 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.603 11.780 1.969 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.158 9.373 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.034 10.515 1.830 1.00 0.00 H new ATOM 179 N VAL A 11 3.971 9.155 4.477 1.00 0.00 N ATOM 180 CA VAL A 11 3.712 9.222 5.906 1.00 0.00 C ATOM 181 C VAL A 11 5.024 9.031 6.668 1.00 0.00 C ATOM 182 O VAL A 11 5.995 8.511 6.119 1.00 0.00 O ATOM 183 CB VAL A 11 2.642 8.198 6.291 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.335 8.461 5.540 1.00 0.00 C ATOM 185 CG2 VAL A 11 3.136 6.770 6.048 1.00 0.00 C ATOM 0 H VAL A 11 4.622 8.422 4.195 1.00 0.00 H new ATOM 0 HA VAL A 11 3.319 10.202 6.178 1.00 0.00 H new ATOM 0 HB VAL A 11 2.443 8.307 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.592 7.719 5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.969 9.458 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.512 8.394 4.467 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.356 6.062 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.377 6.643 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.027 6.586 6.648 1.00 0.00 H new ATOM 195 N ARG A 12 5.012 9.461 7.921 1.00 0.00 N ATOM 196 CA ARG A 12 6.189 9.344 8.764 1.00 0.00 C ATOM 197 C ARG A 12 5.831 8.660 10.085 1.00 0.00 C ATOM 198 O ARG A 12 4.852 9.028 10.733 1.00 0.00 O ATOM 199 CB ARG A 12 6.795 10.718 9.058 1.00 0.00 C ATOM 200 CG ARG A 12 8.052 10.590 9.922 1.00 0.00 C ATOM 201 CD ARG A 12 8.292 11.865 10.732 1.00 0.00 C ATOM 202 NE ARG A 12 8.815 11.522 12.073 1.00 0.00 N ATOM 203 CZ ARG A 12 8.766 12.342 13.131 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.217 13.559 13.011 1.00 0.00 N ATOM 205 NH2 ARG A 12 9.266 11.946 14.310 1.00 0.00 N ATOM 0 H ARG A 12 4.205 9.891 8.373 1.00 0.00 H new ATOM 0 HA ARG A 12 6.922 8.743 8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.042 11.218 8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.061 11.342 9.568 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.949 9.740 10.597 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.915 10.390 9.287 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.000 12.509 10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.362 12.425 10.828 1.00 0.00 H new ATOM 0 HE ARG A 12 9.240 10.603 12.200 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.837 13.861 12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.180 14.183 13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.684 11.020 14.402 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.229 12.571 15.116 1.00 0.00 H new ATOM 219 N PHE A 13 6.642 7.676 10.444 1.00 0.00 N ATOM 220 CA PHE A 13 6.422 6.937 11.676 1.00 0.00 C ATOM 221 C PHE A 13 7.734 6.737 12.436 1.00 0.00 C ATOM 222 O PHE A 13 8.802 6.658 11.830 1.00 0.00 O ATOM 223 CB PHE A 13 5.860 5.569 11.282 1.00 0.00 C ATOM 224 CG PHE A 13 4.593 5.639 10.428 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.612 6.529 10.737 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.447 4.811 9.359 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.436 6.594 9.944 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.271 4.876 8.566 1.00 0.00 C ATOM 229 CZ PHE A 13 2.290 5.766 8.875 1.00 0.00 C ATOM 0 H PHE A 13 7.452 7.373 9.904 1.00 0.00 H new ATOM 0 HA PHE A 13 5.739 7.486 12.323 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.625 5.018 10.735 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.645 5.002 12.187 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.728 7.187 11.586 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.226 4.104 9.113 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.657 7.301 10.190 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.155 4.218 7.717 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.396 5.815 8.272 1.00 0.00 H new ATOM 239 N ASN A 14 7.612 6.659 13.753 1.00 0.00 N ATOM 240 CA ASN A 14 8.775 6.470 14.603 1.00 0.00 C ATOM 241 C ASN A 14 9.003 4.973 14.821 1.00 0.00 C ATOM 242 O ASN A 14 8.330 4.351 15.642 1.00 0.00 O ATOM 243 CB ASN A 14 8.569 7.121 15.972 1.00 0.00 C ATOM 244 CG ASN A 14 9.596 8.229 16.213 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.423 8.537 15.372 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.497 8.808 17.407 1.00 0.00 N ATOM 0 H ASN A 14 6.725 6.723 14.252 1.00 0.00 H new ATOM 0 HA ASN A 14 9.631 6.931 14.110 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.562 7.534 16.034 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.653 6.366 16.754 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.138 9.559 17.664 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.780 8.501 18.065 1.00 0.00 H new ATOM 253 N ALA A 15 9.956 4.437 14.072 1.00 0.00 N ATOM 254 CA ALA A 15 10.281 3.024 14.172 1.00 0.00 C ATOM 255 C ALA A 15 11.455 2.708 13.243 1.00 0.00 C ATOM 256 O ALA A 15 11.754 3.478 12.331 1.00 0.00 O ATOM 257 CB ALA A 15 9.040 2.190 13.849 1.00 0.00 C ATOM 0 H ALA A 15 10.513 4.956 13.393 1.00 0.00 H new ATOM 0 HA ALA A 15 10.587 2.772 15.187 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.284 1.130 13.924 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.246 2.430 14.556 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.704 2.414 12.836 1.00 0.00 H new ATOM 263 N PRO A 16 12.104 1.544 13.512 1.00 0.00 N ATOM 264 CA PRO A 16 13.238 1.117 12.711 1.00 0.00 C ATOM 265 C PRO A 16 12.779 0.586 11.351 1.00 0.00 C ATOM 266 O PRO A 16 11.930 -0.301 11.281 1.00 0.00 O ATOM 267 CB PRO A 16 13.941 0.065 13.553 1.00 0.00 C ATOM 268 CG PRO A 16 12.923 -0.392 14.585 1.00 0.00 C ATOM 269 CD PRO A 16 11.778 0.608 14.584 1.00 0.00 C ATOM 0 HA PRO A 16 13.917 1.936 12.473 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.274 -0.770 12.937 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.827 0.479 14.035 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.558 -1.391 14.345 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.380 -0.448 15.573 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.823 0.116 14.403 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.697 1.118 15.544 1.00 0.00 H new ATOM 277 N ILE A 17 13.362 1.151 10.304 1.00 0.00 N ATOM 278 CA ILE A 17 13.024 0.746 8.950 1.00 0.00 C ATOM 279 C ILE A 17 13.098 -0.779 8.845 1.00 0.00 C ATOM 280 O ILE A 17 12.375 -1.386 8.056 1.00 0.00 O ATOM 281 CB ILE A 17 13.907 1.476 7.936 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.474 1.157 6.503 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.386 1.162 8.171 1.00 0.00 C ATOM 284 CD1 ILE A 17 13.978 2.224 5.529 1.00 0.00 C ATOM 0 H ILE A 17 14.066 1.886 10.366 1.00 0.00 H new ATOM 0 HA ILE A 17 12.000 1.033 8.711 1.00 0.00 H new ATOM 0 HB ILE A 17 13.779 2.549 8.080 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.861 0.181 6.211 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.387 1.097 6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 17 15.992 1.693 7.437 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.670 1.479 9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.551 0.089 8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 17 13.657 1.974 4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.570 3.195 5.810 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.067 2.264 5.565 1.00 0.00 H new ATOM 296 N GLU A 18 13.977 -1.353 9.652 1.00 0.00 N ATOM 297 CA GLU A 18 14.155 -2.796 9.660 1.00 0.00 C ATOM 298 C GLU A 18 12.853 -3.488 10.069 1.00 0.00 C ATOM 299 O GLU A 18 12.595 -4.621 9.664 1.00 0.00 O ATOM 300 CB GLU A 18 15.305 -3.201 10.584 1.00 0.00 C ATOM 301 CG GLU A 18 16.168 -4.288 9.940 1.00 0.00 C ATOM 302 CD GLU A 18 16.242 -5.530 10.831 1.00 0.00 C ATOM 303 OE1 GLU A 18 16.636 -5.363 12.005 1.00 0.00 O ATOM 304 OE2 GLU A 18 15.902 -6.617 10.317 1.00 0.00 O ATOM 0 H GLU A 18 14.574 -0.846 10.305 1.00 0.00 H new ATOM 0 HA GLU A 18 14.413 -3.117 8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.920 -2.329 10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.905 -3.563 11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.754 -4.557 8.968 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.172 -3.903 9.763 1.00 0.00 H new ATOM 311 N LYS A 19 12.068 -2.779 10.866 1.00 0.00 N ATOM 312 CA LYS A 19 10.799 -3.312 11.334 1.00 0.00 C ATOM 313 C LYS A 19 9.726 -3.069 10.271 1.00 0.00 C ATOM 314 O LYS A 19 9.082 -4.009 9.808 1.00 0.00 O ATOM 315 CB LYS A 19 10.448 -2.732 12.706 1.00 0.00 C ATOM 316 CG LYS A 19 9.376 -3.576 13.399 1.00 0.00 C ATOM 317 CD LYS A 19 9.004 -2.980 14.758 1.00 0.00 C ATOM 318 CE LYS A 19 8.095 -3.928 15.543 1.00 0.00 C ATOM 319 NZ LYS A 19 7.667 -3.303 16.814 1.00 0.00 N ATOM 0 H LYS A 19 12.286 -1.840 11.200 1.00 0.00 H new ATOM 0 HA LYS A 19 10.868 -4.390 11.477 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.342 -2.692 13.328 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.093 -1.708 12.592 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.489 -3.634 12.768 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.740 -4.595 13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.909 -2.781 15.332 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.501 -2.024 14.614 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.221 -4.182 14.944 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.622 -4.860 15.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.051 -3.960 17.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.503 -3.083 17.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.145 -2.426 16.611 1.00 0.00 H new ATOM 333 N VAL A 20 9.566 -1.802 9.916 1.00 0.00 N ATOM 334 CA VAL A 20 8.582 -1.424 8.916 1.00 0.00 C ATOM 335 C VAL A 20 8.875 -2.168 7.611 1.00 0.00 C ATOM 336 O VAL A 20 7.955 -2.604 6.921 1.00 0.00 O ATOM 337 CB VAL A 20 8.566 0.096 8.747 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.572 0.517 7.662 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.255 0.792 10.074 1.00 0.00 C ATOM 0 H VAL A 20 10.101 -1.025 10.303 1.00 0.00 H new ATOM 0 HA VAL A 20 7.581 -1.713 9.237 1.00 0.00 H new ATOM 0 HB VAL A 20 9.561 0.408 8.430 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.580 1.602 7.562 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.856 0.063 6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.571 0.186 7.938 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.250 1.872 9.926 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.278 0.470 10.433 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.016 0.530 10.809 1.00 0.00 H new ATOM 349 N TRP A 21 10.160 -2.289 7.312 1.00 0.00 N ATOM 350 CA TRP A 21 10.586 -2.972 6.102 1.00 0.00 C ATOM 351 C TRP A 21 10.019 -4.392 6.137 1.00 0.00 C ATOM 352 O TRP A 21 9.436 -4.856 5.158 1.00 0.00 O ATOM 353 CB TRP A 21 12.109 -2.939 5.961 1.00 0.00 C ATOM 354 CG TRP A 21 12.644 -3.771 4.794 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.587 -4.722 4.823 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.225 -3.688 3.415 1.00 0.00 C ATOM 357 NE1 TRP A 21 13.807 -5.256 3.570 1.00 0.00 N ATOM 358 CE2 TRP A 21 12.952 -4.607 2.686 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.265 -2.863 2.804 1.00 0.00 C ATOM 360 CZ2 TRP A 21 12.795 -4.788 1.307 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.119 -3.056 1.426 1.00 0.00 C ATOM 362 CH2 TRP A 21 11.843 -3.977 0.677 1.00 0.00 C ATOM 0 H TRP A 21 10.920 -1.926 7.887 1.00 0.00 H new ATOM 0 HA TRP A 21 10.201 -2.465 5.217 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.429 -1.905 5.834 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.557 -3.300 6.887 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.110 -5.032 5.716 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.474 -5.991 3.335 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.686 -2.137 3.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.377 -5.514 0.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.393 -2.447 0.908 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.672 -4.066 -0.386 1.00 0.00 H new ATOM 373 N GLU A 22 10.211 -5.044 7.275 1.00 0.00 N ATOM 374 CA GLU A 22 9.726 -6.402 7.450 1.00 0.00 C ATOM 375 C GLU A 22 8.197 -6.417 7.509 1.00 0.00 C ATOM 376 O GLU A 22 7.570 -7.429 7.201 1.00 0.00 O ATOM 377 CB GLU A 22 10.329 -7.042 8.702 1.00 0.00 C ATOM 378 CG GLU A 22 11.238 -8.217 8.334 1.00 0.00 C ATOM 379 CD GLU A 22 11.539 -9.082 9.560 1.00 0.00 C ATOM 380 OE1 GLU A 22 12.306 -8.599 10.420 1.00 0.00 O ATOM 381 OE2 GLU A 22 10.995 -10.206 9.609 1.00 0.00 O ATOM 0 H GLU A 22 10.696 -4.657 8.084 1.00 0.00 H new ATOM 0 HA GLU A 22 10.042 -6.993 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.899 -6.297 9.257 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.531 -7.387 9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.761 -8.824 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.170 -7.842 7.911 1.00 0.00 H new ATOM 388 N ALA A 23 7.641 -5.282 7.907 1.00 0.00 N ATOM 389 CA ALA A 23 6.198 -5.152 8.010 1.00 0.00 C ATOM 390 C ALA A 23 5.604 -4.987 6.610 1.00 0.00 C ATOM 391 O ALA A 23 4.388 -5.055 6.436 1.00 0.00 O ATOM 392 CB ALA A 23 5.855 -3.979 8.931 1.00 0.00 C ATOM 0 H ALA A 23 8.164 -4.444 8.162 1.00 0.00 H new ATOM 0 HA ALA A 23 5.762 -6.049 8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.772 -3.882 9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.275 -4.159 9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.274 -3.060 8.521 1.00 0.00 H new ATOM 398 N VAL A 24 6.489 -4.772 5.648 1.00 0.00 N ATOM 399 CA VAL A 24 6.067 -4.596 4.269 1.00 0.00 C ATOM 400 C VAL A 24 6.737 -5.659 3.396 1.00 0.00 C ATOM 401 O VAL A 24 6.512 -5.707 2.187 1.00 0.00 O ATOM 402 CB VAL A 24 6.367 -3.168 3.808 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.775 -2.144 4.777 1.00 0.00 C ATOM 404 CG2 VAL A 24 7.871 -2.953 3.633 1.00 0.00 C ATOM 0 H VAL A 24 7.497 -4.716 5.796 1.00 0.00 H new ATOM 0 HA VAL A 24 4.989 -4.733 4.179 1.00 0.00 H new ATOM 0 HB VAL A 24 5.893 -3.023 2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.002 -1.137 4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.694 -2.275 4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.206 -2.289 5.768 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.057 -1.930 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.376 -3.127 4.583 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.254 -3.649 2.886 1.00 0.00 H new ATOM 414 N SER A 25 7.547 -6.485 4.042 1.00 0.00 N ATOM 415 CA SER A 25 8.251 -7.544 3.339 1.00 0.00 C ATOM 416 C SER A 25 7.570 -8.889 3.601 1.00 0.00 C ATOM 417 O SER A 25 7.560 -9.762 2.735 1.00 0.00 O ATOM 418 CB SER A 25 9.721 -7.603 3.762 1.00 0.00 C ATOM 419 OG SER A 25 9.914 -8.426 4.909 1.00 0.00 O ATOM 0 H SER A 25 7.731 -6.442 5.044 1.00 0.00 H new ATOM 0 HA SER A 25 8.216 -7.328 2.271 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.321 -7.986 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.078 -6.595 3.975 1.00 0.00 H new ATOM 0 HG SER A 25 10.838 -8.339 5.223 1.00 0.00 H new ATOM 425 N THR A 26 7.017 -9.013 4.799 1.00 0.00 N ATOM 426 CA THR A 26 6.334 -10.236 5.185 1.00 0.00 C ATOM 427 C THR A 26 4.864 -10.181 4.766 1.00 0.00 C ATOM 428 O THR A 26 4.391 -9.156 4.278 1.00 0.00 O ATOM 429 CB THR A 26 6.531 -10.432 6.690 1.00 0.00 C ATOM 430 OG1 THR A 26 5.989 -9.247 7.267 1.00 0.00 O ATOM 431 CG2 THR A 26 8.005 -10.404 7.096 1.00 0.00 C ATOM 0 H THR A 26 7.028 -8.287 5.515 1.00 0.00 H new ATOM 0 HA THR A 26 6.753 -11.102 4.672 1.00 0.00 H new ATOM 0 HB THR A 26 6.089 -11.381 6.994 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.718 -8.643 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.088 -10.548 8.173 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.539 -11.202 6.581 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.439 -9.442 6.823 1.00 0.00 H new ATOM 439 N SER A 27 4.181 -11.298 4.972 1.00 0.00 N ATOM 440 CA SER A 27 2.774 -11.391 4.622 1.00 0.00 C ATOM 441 C SER A 27 1.909 -11.033 5.832 1.00 0.00 C ATOM 442 O SER A 27 1.012 -10.197 5.733 1.00 0.00 O ATOM 443 CB SER A 27 2.424 -12.791 4.114 1.00 0.00 C ATOM 444 OG SER A 27 3.096 -13.102 2.897 1.00 0.00 O ATOM 0 H SER A 27 4.576 -12.146 5.377 1.00 0.00 H new ATOM 0 HA SER A 27 2.574 -10.682 3.818 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.688 -13.528 4.872 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.347 -12.862 3.962 1.00 0.00 H new ATOM 0 HG SER A 27 3.891 -12.536 2.808 1.00 0.00 H new ATOM 450 N GLU A 28 2.209 -11.683 6.947 1.00 0.00 N ATOM 451 CA GLU A 28 1.470 -11.444 8.174 1.00 0.00 C ATOM 452 C GLU A 28 1.551 -9.967 8.564 1.00 0.00 C ATOM 453 O GLU A 28 0.570 -9.389 9.028 1.00 0.00 O ATOM 454 CB GLU A 28 1.982 -12.338 9.306 1.00 0.00 C ATOM 455 CG GLU A 28 0.849 -13.183 9.892 1.00 0.00 C ATOM 456 CD GLU A 28 0.108 -12.418 10.991 1.00 0.00 C ATOM 457 OE1 GLU A 28 -0.039 -11.188 10.827 1.00 0.00 O ATOM 458 OE2 GLU A 28 -0.295 -13.082 11.971 1.00 0.00 O ATOM 0 H GLU A 28 2.954 -12.375 7.026 1.00 0.00 H new ATOM 0 HA GLU A 28 0.424 -11.697 8.000 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.770 -12.990 8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.424 -11.722 10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.151 -13.460 9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.254 -14.110 10.298 1.00 0.00 H new ATOM 465 N GLY A 29 2.730 -9.398 8.359 1.00 0.00 N ATOM 466 CA GLY A 29 2.952 -7.999 8.683 1.00 0.00 C ATOM 467 C GLY A 29 2.180 -7.086 7.728 1.00 0.00 C ATOM 468 O GLY A 29 1.710 -6.021 8.125 1.00 0.00 O ATOM 0 H GLY A 29 3.541 -9.880 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.639 -7.806 9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.017 -7.773 8.626 1.00 0.00 H new ATOM 472 N LEU A 30 2.073 -7.537 6.487 1.00 0.00 N ATOM 473 CA LEU A 30 1.366 -6.774 5.472 1.00 0.00 C ATOM 474 C LEU A 30 -0.140 -6.888 5.711 1.00 0.00 C ATOM 475 O LEU A 30 -0.821 -5.881 5.899 1.00 0.00 O ATOM 476 CB LEU A 30 1.802 -7.212 4.072 1.00 0.00 C ATOM 477 CG LEU A 30 2.742 -6.257 3.332 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.892 -7.021 2.674 1.00 0.00 C ATOM 479 CD2 LEU A 30 1.972 -5.400 2.326 1.00 0.00 C ATOM 0 H LEU A 30 2.464 -8.421 6.161 1.00 0.00 H new ATOM 0 HA LEU A 30 1.621 -5.717 5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.292 -8.182 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.909 -7.355 3.463 1.00 0.00 H new ATOM 0 HG LEU A 30 3.183 -5.578 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.545 -6.319 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.462 -7.550 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.490 -7.739 1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.663 -4.730 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.485 -6.046 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.219 -4.812 2.850 1.00 0.00 H new ATOM 491 N ALA A 31 -0.617 -8.124 5.696 1.00 0.00 N ATOM 492 CA ALA A 31 -2.031 -8.384 5.909 1.00 0.00 C ATOM 493 C ALA A 31 -2.478 -7.712 7.209 1.00 0.00 C ATOM 494 O ALA A 31 -3.667 -7.469 7.410 1.00 0.00 O ATOM 495 CB ALA A 31 -2.278 -9.893 5.918 1.00 0.00 C ATOM 0 H ALA A 31 -0.049 -8.957 5.540 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.625 -7.962 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.339 -10.087 6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.971 -10.318 4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.700 -10.351 6.721 1.00 0.00 H new ATOM 501 N PHE A 32 -1.501 -7.432 8.060 1.00 0.00 N ATOM 502 CA PHE A 32 -1.779 -6.794 9.335 1.00 0.00 C ATOM 503 C PHE A 32 -2.429 -5.424 9.132 1.00 0.00 C ATOM 504 O PHE A 32 -3.063 -4.893 10.043 1.00 0.00 O ATOM 505 CB PHE A 32 -0.436 -6.609 10.044 1.00 0.00 C ATOM 506 CG PHE A 32 -0.473 -6.928 11.540 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.403 -6.339 12.339 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.424 -7.802 12.071 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.438 -6.636 13.727 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.390 -8.098 13.460 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.541 -7.509 14.258 1.00 0.00 C ATOM 0 H PHE A 32 -0.516 -7.636 7.891 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.465 -7.409 9.918 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.307 -7.247 9.565 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.105 -5.579 9.911 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.115 -5.645 11.917 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.162 -8.271 11.437 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.177 -6.169 14.361 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.103 -8.790 13.882 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.568 -7.735 15.314 1.00 0.00 H new ATOM 521 N TRP A 33 -2.248 -4.891 7.933 1.00 0.00 N ATOM 522 CA TRP A 33 -2.809 -3.592 7.599 1.00 0.00 C ATOM 523 C TRP A 33 -3.355 -3.666 6.172 1.00 0.00 C ATOM 524 O TRP A 33 -4.492 -3.272 5.918 1.00 0.00 O ATOM 525 CB TRP A 33 -1.772 -2.483 7.786 1.00 0.00 C ATOM 526 CG TRP A 33 -0.465 -2.719 7.027 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.603 -3.426 7.423 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.128 -2.215 5.717 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.599 -3.415 6.468 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.141 -2.655 5.398 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.870 -1.414 4.832 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.778 -2.346 4.190 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.219 -1.113 3.629 1.00 0.00 C ATOM 534 CH2 TRP A 33 1.057 -1.549 3.293 1.00 0.00 C ATOM 0 H TRP A 33 -1.721 -5.334 7.181 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.628 -3.341 8.272 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.204 -1.537 7.460 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.550 -2.382 8.848 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.675 -3.940 8.370 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.505 -3.879 6.535 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.864 -1.059 5.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.772 -2.703 3.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.745 -0.499 2.913 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.491 -1.274 2.343 1.00 0.00 H new ATOM 545 N PHE A 34 -2.520 -4.174 5.278 1.00 0.00 N ATOM 546 CA PHE A 34 -2.905 -4.305 3.883 1.00 0.00 C ATOM 547 C PHE A 34 -4.073 -5.280 3.726 1.00 0.00 C ATOM 548 O PHE A 34 -5.234 -4.880 3.800 1.00 0.00 O ATOM 549 CB PHE A 34 -1.691 -4.857 3.134 1.00 0.00 C ATOM 550 CG PHE A 34 -2.008 -5.371 1.728 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.906 -4.711 0.949 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.392 -6.489 1.258 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.201 -5.189 -0.355 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.686 -6.966 -0.047 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.585 -6.306 -0.826 1.00 0.00 C ATOM 0 H PHE A 34 -1.578 -4.500 5.493 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.219 -3.338 3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.935 -4.075 3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.256 -5.669 3.717 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.395 -3.823 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.679 -7.014 1.877 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.915 -4.665 -0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.196 -7.853 -0.421 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.809 -6.669 -1.818 1.00 0.00 H new ATOM 565 N MET A 35 -3.726 -6.540 3.511 1.00 0.00 N ATOM 566 CA MET A 35 -4.731 -7.575 3.343 1.00 0.00 C ATOM 567 C MET A 35 -4.103 -8.968 3.422 1.00 0.00 C ATOM 568 O MET A 35 -2.893 -9.117 3.260 1.00 0.00 O ATOM 569 CB MET A 35 -5.420 -7.403 1.988 1.00 0.00 C ATOM 570 CG MET A 35 -6.876 -6.968 2.165 1.00 0.00 C ATOM 571 SD MET A 35 -7.710 -6.971 0.586 1.00 0.00 S ATOM 572 CE MET A 35 -6.438 -6.249 -0.437 1.00 0.00 C ATOM 0 H MET A 35 -2.762 -6.868 3.449 1.00 0.00 H new ATOM 0 HA MET A 35 -5.461 -7.479 4.147 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.885 -6.661 1.395 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.382 -8.341 1.435 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.384 -7.641 2.855 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.916 -5.971 2.605 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.855 -5.997 -1.412 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.057 -5.346 0.040 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.624 -6.963 -0.564 1.00 0.00 H new ATOM 582 N GLU A 36 -4.953 -9.953 3.672 1.00 0.00 N ATOM 583 CA GLU A 36 -4.496 -11.328 3.775 1.00 0.00 C ATOM 584 C GLU A 36 -3.829 -11.765 2.469 1.00 0.00 C ATOM 585 O GLU A 36 -4.324 -11.465 1.384 1.00 0.00 O ATOM 586 CB GLU A 36 -5.651 -12.264 4.140 1.00 0.00 C ATOM 587 CG GLU A 36 -5.972 -12.182 5.634 1.00 0.00 C ATOM 588 CD GLU A 36 -6.082 -13.579 6.248 1.00 0.00 C ATOM 589 OE1 GLU A 36 -6.978 -14.327 5.799 1.00 0.00 O ATOM 590 OE2 GLU A 36 -5.269 -13.868 7.152 1.00 0.00 O ATOM 0 H GLU A 36 -5.956 -9.826 3.806 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.758 -11.386 4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.535 -12.000 3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.391 -13.289 3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.194 -11.616 6.146 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.908 -11.642 5.780 1.00 0.00 H new ATOM 597 N ASN A 37 -2.715 -12.467 2.618 1.00 0.00 N ATOM 598 CA ASN A 37 -1.974 -12.948 1.464 1.00 0.00 C ATOM 599 C ASN A 37 -0.695 -13.640 1.937 1.00 0.00 C ATOM 600 O ASN A 37 -0.471 -13.785 3.138 1.00 0.00 O ATOM 601 CB ASN A 37 -1.574 -11.792 0.545 1.00 0.00 C ATOM 602 CG ASN A 37 -1.602 -10.459 1.297 1.00 0.00 C ATOM 603 OD1 ASN A 37 -2.234 -9.499 0.888 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.883 -10.455 2.415 1.00 0.00 N ATOM 0 H ASN A 37 -2.308 -12.714 3.520 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.615 -13.639 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.575 -11.968 0.147 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.253 -11.748 -0.306 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.837 -9.613 2.989 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.378 -11.294 2.699 1.00 0.00 H new ATOM 611 N ASP A 38 0.112 -14.050 0.968 1.00 0.00 N ATOM 612 CA ASP A 38 1.363 -14.723 1.271 1.00 0.00 C ATOM 613 C ASP A 38 2.484 -14.108 0.432 1.00 0.00 C ATOM 614 O ASP A 38 3.346 -14.822 -0.079 1.00 0.00 O ATOM 615 CB ASP A 38 1.282 -16.213 0.932 1.00 0.00 C ATOM 616 CG ASP A 38 0.643 -17.088 2.012 1.00 0.00 C ATOM 617 OD1 ASP A 38 1.213 -17.124 3.124 1.00 0.00 O ATOM 618 OD2 ASP A 38 -0.400 -17.702 1.701 1.00 0.00 O ATOM 0 H ASP A 38 -0.077 -13.929 -0.027 1.00 0.00 H new ATOM 0 HA ASP A 38 1.560 -14.605 2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.715 -16.330 0.008 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.289 -16.581 0.736 1.00 0.00 H new ATOM 623 N LEU A 39 2.437 -12.789 0.316 1.00 0.00 N ATOM 624 CA LEU A 39 3.439 -12.069 -0.452 1.00 0.00 C ATOM 625 C LEU A 39 4.832 -12.450 0.051 1.00 0.00 C ATOM 626 O LEU A 39 5.011 -12.745 1.231 1.00 0.00 O ATOM 627 CB LEU A 39 3.162 -10.564 -0.417 1.00 0.00 C ATOM 628 CG LEU A 39 4.349 -9.656 -0.745 1.00 0.00 C ATOM 629 CD1 LEU A 39 3.952 -8.580 -1.757 1.00 0.00 C ATOM 630 CD2 LEU A 39 4.947 -9.053 0.528 1.00 0.00 C ATOM 0 H LEU A 39 1.721 -12.200 0.741 1.00 0.00 H new ATOM 0 HA LEU A 39 3.391 -12.354 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.358 -10.346 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.795 -10.305 0.576 1.00 0.00 H new ATOM 0 HG LEU A 39 5.126 -10.264 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.813 -7.948 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.610 -9.054 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.149 -7.970 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.789 -8.412 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.188 -8.463 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.290 -9.854 1.183 1.00 0.00 H new ATOM 642 N LYS A 40 5.785 -12.431 -0.870 1.00 0.00 N ATOM 643 CA LYS A 40 7.157 -12.771 -0.535 1.00 0.00 C ATOM 644 C LYS A 40 8.102 -11.755 -1.180 1.00 0.00 C ATOM 645 O LYS A 40 8.100 -11.587 -2.398 1.00 0.00 O ATOM 646 CB LYS A 40 7.459 -14.221 -0.919 1.00 0.00 C ATOM 647 CG LYS A 40 8.823 -14.658 -0.381 1.00 0.00 C ATOM 648 CD LYS A 40 8.666 -15.635 0.786 1.00 0.00 C ATOM 649 CE LYS A 40 8.570 -14.887 2.117 1.00 0.00 C ATOM 650 NZ LYS A 40 9.275 -15.635 3.183 1.00 0.00 N ATOM 0 H LYS A 40 5.633 -12.185 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 40 7.311 -12.712 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.682 -14.875 -0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.442 -14.325 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.399 -15.128 -1.178 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.386 -13.784 -0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.772 -16.241 0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.514 -16.319 0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.004 -13.892 2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.524 -14.752 2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.201 -15.114 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.843 -16.575 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.277 -15.742 2.927 1.00 0.00 H new ATOM 664 N ALA A 41 8.886 -11.104 -0.333 1.00 0.00 N ATOM 665 CA ALA A 41 9.833 -10.109 -0.805 1.00 0.00 C ATOM 666 C ALA A 41 10.852 -10.779 -1.729 1.00 0.00 C ATOM 667 O ALA A 41 11.959 -11.107 -1.304 1.00 0.00 O ATOM 668 CB ALA A 41 10.494 -9.424 0.393 1.00 0.00 C ATOM 0 H ALA A 41 8.885 -11.246 0.677 1.00 0.00 H new ATOM 0 HA ALA A 41 9.323 -9.337 -1.381 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.205 -8.677 0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.731 -8.939 1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.018 -10.167 0.994 1.00 0.00 H new ATOM 674 N GLU A 42 10.443 -10.962 -2.975 1.00 0.00 N ATOM 675 CA GLU A 42 11.306 -11.588 -3.962 1.00 0.00 C ATOM 676 C GLU A 42 10.809 -11.277 -5.376 1.00 0.00 C ATOM 677 O GLU A 42 9.743 -11.741 -5.778 1.00 0.00 O ATOM 678 CB GLU A 42 11.398 -13.097 -3.733 1.00 0.00 C ATOM 679 CG GLU A 42 12.801 -13.616 -4.052 1.00 0.00 C ATOM 680 CD GLU A 42 13.179 -14.779 -3.131 1.00 0.00 C ATOM 681 OE1 GLU A 42 12.802 -15.920 -3.474 1.00 0.00 O ATOM 682 OE2 GLU A 42 13.836 -14.499 -2.105 1.00 0.00 O ATOM 0 H GLU A 42 9.525 -10.688 -3.324 1.00 0.00 H new ATOM 0 HA GLU A 42 12.309 -11.176 -3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.148 -13.327 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.666 -13.608 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.844 -13.942 -5.091 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.525 -12.809 -3.940 1.00 0.00 H new ATOM 689 N THR A 43 11.604 -10.493 -6.090 1.00 0.00 N ATOM 690 CA THR A 43 11.258 -10.115 -7.449 1.00 0.00 C ATOM 691 C THR A 43 10.887 -11.353 -8.269 1.00 0.00 C ATOM 692 O THR A 43 11.563 -12.378 -8.192 1.00 0.00 O ATOM 693 CB THR A 43 12.431 -9.328 -8.034 1.00 0.00 C ATOM 694 OG1 THR A 43 11.821 -8.429 -8.956 1.00 0.00 O ATOM 695 CG2 THR A 43 13.342 -10.195 -8.906 1.00 0.00 C ATOM 0 H THR A 43 12.487 -10.109 -5.752 1.00 0.00 H new ATOM 0 HA THR A 43 10.376 -9.474 -7.469 1.00 0.00 H new ATOM 0 HB THR A 43 13.014 -8.890 -7.224 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.511 -7.878 -9.381 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.158 -9.587 -9.296 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.750 -11.010 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.767 -10.606 -9.736 1.00 0.00 H new ATOM 703 N GLY A 44 9.815 -11.217 -9.035 1.00 0.00 N ATOM 704 CA GLY A 44 9.347 -12.311 -9.868 1.00 0.00 C ATOM 705 C GLY A 44 8.722 -13.419 -9.018 1.00 0.00 C ATOM 706 O GLY A 44 8.818 -14.597 -9.359 1.00 0.00 O ATOM 0 H GLY A 44 9.257 -10.365 -9.096 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.614 -11.940 -10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.179 -12.715 -10.444 1.00 0.00 H new ATOM 710 N HIS A 45 8.094 -13.002 -7.928 1.00 0.00 N ATOM 711 CA HIS A 45 7.453 -13.944 -7.027 1.00 0.00 C ATOM 712 C HIS A 45 5.960 -14.028 -7.349 1.00 0.00 C ATOM 713 O HIS A 45 5.433 -13.198 -8.089 1.00 0.00 O ATOM 714 CB HIS A 45 7.726 -13.571 -5.568 1.00 0.00 C ATOM 715 CG HIS A 45 6.955 -14.400 -4.568 1.00 0.00 C ATOM 716 ND1 HIS A 45 7.245 -15.730 -4.315 1.00 0.00 N ATOM 717 CD2 HIS A 45 5.904 -14.075 -3.762 1.00 0.00 C ATOM 718 CE1 HIS A 45 6.400 -16.174 -3.397 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.569 -15.147 -3.056 1.00 0.00 N ATOM 0 H HIS A 45 8.016 -12.024 -7.649 1.00 0.00 H new ATOM 0 HA HIS A 45 7.876 -14.938 -7.172 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.792 -13.679 -5.369 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.479 -12.520 -5.420 1.00 0.00 H new ATOM 0 HD2 HIS A 45 5.425 -13.108 -3.708 1.00 0.00 H new ATOM 0 HE1 HIS A 45 6.373 -17.174 -2.990 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.815 -15.195 -2.371 1.00 0.00 H new ATOM 727 N HIS A 46 5.320 -15.037 -6.777 1.00 0.00 N ATOM 728 CA HIS A 46 3.898 -15.240 -6.993 1.00 0.00 C ATOM 729 C HIS A 46 3.206 -15.500 -5.654 1.00 0.00 C ATOM 730 O HIS A 46 3.734 -16.221 -4.808 1.00 0.00 O ATOM 731 CB HIS A 46 3.657 -16.357 -8.011 1.00 0.00 C ATOM 732 CG HIS A 46 3.733 -17.747 -7.427 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.618 -18.545 -7.243 1.00 0.00 N ATOM 734 CD2 HIS A 46 4.802 -18.472 -6.989 1.00 0.00 C ATOM 735 CE1 HIS A 46 3.009 -19.696 -6.716 1.00 0.00 C ATOM 736 NE2 HIS A 46 4.363 -19.649 -6.559 1.00 0.00 N ATOM 0 H HIS A 46 5.760 -15.723 -6.164 1.00 0.00 H new ATOM 0 HA HIS A 46 3.460 -14.338 -7.419 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.675 -16.217 -8.463 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.392 -16.270 -8.812 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.831 -18.144 -6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.368 -20.526 -6.456 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.943 -20.395 -6.175 1.00 0.00 H new ATOM 744 N PHE A 47 2.036 -14.898 -5.502 1.00 0.00 N ATOM 745 CA PHE A 47 1.266 -15.055 -4.279 1.00 0.00 C ATOM 746 C PHE A 47 -0.206 -14.709 -4.509 1.00 0.00 C ATOM 747 O PHE A 47 -0.531 -13.928 -5.402 1.00 0.00 O ATOM 748 CB PHE A 47 1.853 -14.083 -3.254 1.00 0.00 C ATOM 749 CG PHE A 47 1.866 -12.624 -3.716 1.00 0.00 C ATOM 750 CD1 PHE A 47 2.719 -12.231 -4.700 1.00 0.00 C ATOM 751 CD2 PHE A 47 1.026 -11.722 -3.143 1.00 0.00 C ATOM 752 CE1 PHE A 47 2.731 -10.877 -5.129 1.00 0.00 C ATOM 753 CE2 PHE A 47 1.038 -10.368 -3.572 1.00 0.00 C ATOM 754 CZ PHE A 47 1.891 -9.974 -4.556 1.00 0.00 C ATOM 0 H PHE A 47 1.602 -14.300 -6.205 1.00 0.00 H new ATOM 0 HA PHE A 47 1.318 -16.088 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.280 -14.156 -2.330 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.873 -14.389 -3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.387 -12.948 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.349 -12.035 -2.361 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.408 -10.564 -5.911 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.370 -9.651 -3.117 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.901 -8.944 -4.882 1.00 0.00 H new ATOM 764 N HIS A 48 -1.057 -15.306 -3.687 1.00 0.00 N ATOM 765 CA HIS A 48 -2.487 -15.070 -3.790 1.00 0.00 C ATOM 766 C HIS A 48 -2.863 -13.834 -2.971 1.00 0.00 C ATOM 767 O HIS A 48 -2.103 -13.403 -2.105 1.00 0.00 O ATOM 768 CB HIS A 48 -3.274 -16.316 -3.379 1.00 0.00 C ATOM 769 CG HIS A 48 -3.623 -17.229 -4.530 1.00 0.00 C ATOM 770 ND1 HIS A 48 -3.060 -18.483 -4.689 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.483 -17.058 -5.574 1.00 0.00 C ATOM 772 CE1 HIS A 48 -3.566 -19.033 -5.784 1.00 0.00 C ATOM 773 NE2 HIS A 48 -4.447 -18.147 -6.331 1.00 0.00 N ATOM 0 H HIS A 48 -0.784 -15.953 -2.947 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.753 -14.870 -4.828 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.691 -16.876 -2.648 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.194 -16.005 -2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.091 -16.184 -5.754 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.323 -20.010 -6.174 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.989 -18.297 -7.182 1.00 0.00 H new ATOM 781 N LEU A 49 -4.037 -13.298 -3.272 1.00 0.00 N ATOM 782 CA LEU A 49 -4.524 -12.120 -2.575 1.00 0.00 C ATOM 783 C LEU A 49 -5.975 -12.349 -2.147 1.00 0.00 C ATOM 784 O LEU A 49 -6.751 -12.963 -2.878 1.00 0.00 O ATOM 785 CB LEU A 49 -4.325 -10.869 -3.433 1.00 0.00 C ATOM 786 CG LEU A 49 -4.541 -9.530 -2.726 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.380 -9.216 -1.780 1.00 0.00 C ATOM 788 CD2 LEU A 49 -4.775 -8.407 -3.738 1.00 0.00 C ATOM 0 H LEU A 49 -4.666 -13.658 -3.990 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.947 -11.949 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.312 -10.886 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.006 -10.923 -4.282 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.441 -9.607 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.559 -8.259 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.302 -10.000 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.451 -9.165 -2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.926 -7.466 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.908 -8.320 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.659 -8.633 -4.335 1.00 0.00 H new ATOM 800 N GLN A 50 -6.297 -11.844 -0.966 1.00 0.00 N ATOM 801 CA GLN A 50 -7.641 -11.985 -0.433 1.00 0.00 C ATOM 802 C GLN A 50 -8.383 -10.649 -0.502 1.00 0.00 C ATOM 803 O GLN A 50 -8.544 -9.971 0.511 1.00 0.00 O ATOM 804 CB GLN A 50 -7.609 -12.521 1.000 1.00 0.00 C ATOM 805 CG GLN A 50 -7.003 -13.925 1.047 1.00 0.00 C ATOM 806 CD GLN A 50 -8.036 -14.952 1.515 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.157 -15.258 2.690 1.00 0.00 O ATOM 808 NE2 GLN A 50 -8.772 -15.466 0.533 1.00 0.00 N ATOM 0 H GLN A 50 -5.650 -11.336 -0.363 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.179 -12.709 -1.045 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.027 -11.849 1.631 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.620 -12.544 1.406 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.634 -14.199 0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.146 -13.933 1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.619 -15.166 -0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.489 -16.160 0.743 1.00 0.00 H new ATOM 817 N SER A 51 -8.816 -10.311 -1.708 1.00 0.00 N ATOM 818 CA SER A 51 -9.537 -9.068 -1.923 1.00 0.00 C ATOM 819 C SER A 51 -11.022 -9.264 -1.611 1.00 0.00 C ATOM 820 O SER A 51 -11.499 -10.395 -1.527 1.00 0.00 O ATOM 821 CB SER A 51 -9.358 -8.568 -3.358 1.00 0.00 C ATOM 822 OG SER A 51 -10.458 -8.928 -4.190 1.00 0.00 O ATOM 0 H SER A 51 -8.681 -10.876 -2.546 1.00 0.00 H new ATOM 0 HA SER A 51 -9.127 -8.314 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.247 -7.484 -3.353 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.439 -8.981 -3.774 1.00 0.00 H new ATOM 0 HG SER A 51 -10.492 -9.903 -4.284 1.00 0.00 H new ATOM 828 N PRO A 52 -11.731 -8.115 -1.442 1.00 0.00 N ATOM 829 CA PRO A 52 -13.152 -8.150 -1.141 1.00 0.00 C ATOM 830 C PRO A 52 -13.967 -8.511 -2.384 1.00 0.00 C ATOM 831 O PRO A 52 -15.171 -8.744 -2.295 1.00 0.00 O ATOM 832 CB PRO A 52 -13.473 -6.765 -0.601 1.00 0.00 C ATOM 833 CG PRO A 52 -12.333 -5.867 -1.052 1.00 0.00 C ATOM 834 CD PRO A 52 -11.200 -6.758 -1.533 1.00 0.00 C ATOM 0 HA PRO A 52 -13.409 -8.917 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.428 -6.407 -0.986 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.553 -6.779 0.486 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.663 -5.204 -1.852 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.998 -5.234 -0.231 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.911 -6.514 -2.555 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.312 -6.638 -0.913 1.00 0.00 H new ATOM 842 N PHE A 53 -13.278 -8.546 -3.515 1.00 0.00 N ATOM 843 CA PHE A 53 -13.923 -8.875 -4.775 1.00 0.00 C ATOM 844 C PHE A 53 -13.423 -10.217 -5.312 1.00 0.00 C ATOM 845 O PHE A 53 -13.264 -10.386 -6.520 1.00 0.00 O ATOM 846 CB PHE A 53 -13.553 -7.772 -5.768 1.00 0.00 C ATOM 847 CG PHE A 53 -14.484 -6.558 -5.726 1.00 0.00 C ATOM 848 CD1 PHE A 53 -14.485 -5.739 -4.640 1.00 0.00 C ATOM 849 CD2 PHE A 53 -15.310 -6.299 -6.774 1.00 0.00 C ATOM 850 CE1 PHE A 53 -15.349 -4.613 -4.601 1.00 0.00 C ATOM 851 CE2 PHE A 53 -16.174 -5.172 -6.735 1.00 0.00 C ATOM 852 CZ PHE A 53 -16.176 -4.354 -5.649 1.00 0.00 C ATOM 0 H PHE A 53 -12.279 -8.352 -3.585 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.001 -8.950 -4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.534 -7.442 -5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.560 -8.187 -6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -13.829 -5.945 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -15.309 -6.950 -7.636 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.349 -3.962 -3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -16.829 -4.965 -7.568 1.00 0.00 H new ATOM 0 HZ PHE A 53 -16.834 -3.498 -5.619 1.00 0.00 H new ATOM 862 N GLY A 54 -13.190 -11.138 -4.389 1.00 0.00 N ATOM 863 CA GLY A 54 -12.712 -12.461 -4.755 1.00 0.00 C ATOM 864 C GLY A 54 -11.186 -12.531 -4.684 1.00 0.00 C ATOM 865 O GLY A 54 -10.504 -11.527 -4.881 1.00 0.00 O ATOM 0 H GLY A 54 -13.323 -10.995 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.145 -13.206 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.044 -12.706 -5.764 1.00 0.00 H new ATOM 869 N PRO A 55 -10.680 -13.760 -4.393 1.00 0.00 N ATOM 870 CA PRO A 55 -9.246 -13.975 -4.293 1.00 0.00 C ATOM 871 C PRO A 55 -8.597 -13.997 -5.678 1.00 0.00 C ATOM 872 O PRO A 55 -9.093 -14.658 -6.589 1.00 0.00 O ATOM 873 CB PRO A 55 -9.097 -15.290 -3.546 1.00 0.00 C ATOM 874 CG PRO A 55 -10.440 -15.991 -3.663 1.00 0.00 C ATOM 875 CD PRO A 55 -11.457 -14.973 -4.153 1.00 0.00 C ATOM 0 HA PRO A 55 -8.736 -13.171 -3.763 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.301 -15.896 -3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.836 -15.118 -2.502 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.374 -16.829 -4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.743 -16.399 -2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.951 -15.313 -5.063 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.237 -14.803 -3.411 1.00 0.00 H new ATOM 883 N SER A 56 -7.498 -13.267 -5.793 1.00 0.00 N ATOM 884 CA SER A 56 -6.776 -13.195 -7.052 1.00 0.00 C ATOM 885 C SER A 56 -5.269 -13.254 -6.795 1.00 0.00 C ATOM 886 O SER A 56 -4.792 -12.779 -5.765 1.00 0.00 O ATOM 887 CB SER A 56 -7.134 -11.921 -7.820 1.00 0.00 C ATOM 888 OG SER A 56 -8.083 -12.170 -8.854 1.00 0.00 O ATOM 0 H SER A 56 -7.090 -12.720 -5.035 1.00 0.00 H new ATOM 0 HA SER A 56 -7.068 -14.049 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.537 -11.182 -7.128 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.230 -11.493 -8.253 1.00 0.00 H new ATOM 0 HG SER A 56 -8.287 -11.332 -9.320 1.00 0.00 H new ATOM 894 N PRO A 57 -4.542 -13.856 -7.774 1.00 0.00 N ATOM 895 CA PRO A 57 -3.098 -13.983 -7.664 1.00 0.00 C ATOM 896 C PRO A 57 -2.408 -12.643 -7.928 1.00 0.00 C ATOM 897 O PRO A 57 -2.936 -11.801 -8.652 1.00 0.00 O ATOM 898 CB PRO A 57 -2.720 -15.055 -8.673 1.00 0.00 C ATOM 899 CG PRO A 57 -3.893 -15.156 -9.633 1.00 0.00 C ATOM 900 CD PRO A 57 -5.072 -14.429 -9.007 1.00 0.00 C ATOM 0 HA PRO A 57 -2.775 -14.266 -6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.805 -14.788 -9.201 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.536 -16.009 -8.179 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.638 -14.712 -10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.144 -16.200 -9.820 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.457 -13.654 -9.670 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.896 -15.113 -8.804 1.00 0.00 H new ATOM 908 N CYS A 58 -1.239 -12.487 -7.325 1.00 0.00 N ATOM 909 CA CYS A 58 -0.471 -11.264 -7.485 1.00 0.00 C ATOM 910 C CYS A 58 0.980 -11.644 -7.785 1.00 0.00 C ATOM 911 O CYS A 58 1.354 -12.812 -7.684 1.00 0.00 O ATOM 912 CB CYS A 58 -0.582 -10.361 -6.255 1.00 0.00 C ATOM 913 SG CYS A 58 -2.248 -9.608 -6.179 1.00 0.00 S ATOM 0 H CYS A 58 -0.805 -13.188 -6.724 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.873 -10.685 -8.316 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.394 -10.940 -5.351 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.177 -9.580 -6.297 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.014 -10.157 -7.074 1.00 0.00 H new ATOM 919 N GLN A 59 1.759 -10.636 -8.149 1.00 0.00 N ATOM 920 CA GLN A 59 3.161 -10.850 -8.465 1.00 0.00 C ATOM 921 C GLN A 59 3.972 -9.588 -8.162 1.00 0.00 C ATOM 922 O GLN A 59 3.513 -8.475 -8.417 1.00 0.00 O ATOM 923 CB GLN A 59 3.336 -11.277 -9.924 1.00 0.00 C ATOM 924 CG GLN A 59 4.814 -11.282 -10.320 1.00 0.00 C ATOM 925 CD GLN A 59 5.109 -12.403 -11.320 1.00 0.00 C ATOM 926 OE1 GLN A 59 4.583 -12.442 -12.420 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.977 -13.308 -10.877 1.00 0.00 N ATOM 0 H GLN A 59 1.446 -9.669 -8.232 1.00 0.00 H new ATOM 0 HA GLN A 59 3.535 -11.659 -7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.914 -12.271 -10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.784 -10.598 -10.574 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.080 -10.320 -10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.432 -11.410 -9.431 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.380 -13.215 -9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.240 -14.095 -11.470 1.00 0.00 H new ATOM 936 N VAL A 60 5.163 -9.803 -7.623 1.00 0.00 N ATOM 937 CA VAL A 60 6.041 -8.697 -7.283 1.00 0.00 C ATOM 938 C VAL A 60 6.885 -8.327 -8.505 1.00 0.00 C ATOM 939 O VAL A 60 7.547 -9.184 -9.089 1.00 0.00 O ATOM 940 CB VAL A 60 6.887 -9.057 -6.060 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.816 -7.903 -5.677 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.000 -9.462 -4.880 1.00 0.00 C ATOM 0 H VAL A 60 5.540 -10.727 -7.413 1.00 0.00 H new ATOM 0 HA VAL A 60 5.458 -7.817 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 60 7.508 -9.914 -6.322 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.406 -8.185 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.483 -7.681 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.222 -7.020 -5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.626 -9.713 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.342 -8.633 -4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.399 -10.329 -5.157 1.00 0.00 H new ATOM 952 N THR A 61 6.833 -7.050 -8.855 1.00 0.00 N ATOM 953 CA THR A 61 7.585 -6.557 -9.997 1.00 0.00 C ATOM 954 C THR A 61 9.001 -6.163 -9.573 1.00 0.00 C ATOM 955 O THR A 61 9.961 -6.401 -10.305 1.00 0.00 O ATOM 956 CB THR A 61 6.794 -5.405 -10.620 1.00 0.00 C ATOM 957 OG1 THR A 61 6.789 -4.400 -9.610 1.00 0.00 O ATOM 958 CG2 THR A 61 5.316 -5.746 -10.814 1.00 0.00 C ATOM 0 H THR A 61 6.282 -6.342 -8.369 1.00 0.00 H new ATOM 0 HA THR A 61 7.710 -7.332 -10.754 1.00 0.00 H new ATOM 0 HB THR A 61 7.234 -5.142 -11.582 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.298 -3.615 -9.932 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.801 -4.894 -11.259 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.225 -6.610 -11.473 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.866 -5.978 -9.848 1.00 0.00 H new ATOM 966 N ASP A 62 9.087 -5.566 -8.393 1.00 0.00 N ATOM 967 CA ASP A 62 10.370 -5.137 -7.864 1.00 0.00 C ATOM 968 C ASP A 62 10.316 -5.150 -6.335 1.00 0.00 C ATOM 969 O ASP A 62 9.384 -4.614 -5.738 1.00 0.00 O ATOM 970 CB ASP A 62 10.702 -3.712 -8.312 1.00 0.00 C ATOM 971 CG ASP A 62 11.893 -3.596 -9.265 1.00 0.00 C ATOM 972 OD1 ASP A 62 12.742 -4.512 -9.227 1.00 0.00 O ATOM 973 OD2 ASP A 62 11.928 -2.593 -10.010 1.00 0.00 O ATOM 0 H ASP A 62 8.289 -5.369 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 62 11.134 -5.820 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.824 -3.286 -8.798 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.903 -3.107 -7.428 1.00 0.00 H new ATOM 978 N VAL A 63 11.328 -5.769 -5.744 1.00 0.00 N ATOM 979 CA VAL A 63 11.408 -5.860 -4.296 1.00 0.00 C ATOM 980 C VAL A 63 12.861 -6.103 -3.884 1.00 0.00 C ATOM 981 O VAL A 63 13.386 -7.200 -4.067 1.00 0.00 O ATOM 982 CB VAL A 63 10.452 -6.941 -3.786 1.00 0.00 C ATOM 983 CG1 VAL A 63 10.707 -8.274 -4.492 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.559 -7.094 -2.268 1.00 0.00 C ATOM 0 H VAL A 63 12.100 -6.213 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 63 11.093 -4.923 -3.836 1.00 0.00 H new ATOM 0 HB VAL A 63 9.434 -6.628 -4.020 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.015 -9.025 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.557 -8.152 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.731 -8.596 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.870 -7.868 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.578 -7.374 -2.002 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.306 -6.149 -1.788 1.00 0.00 H new ATOM 994 N GLU A 64 13.469 -5.062 -3.334 1.00 0.00 N ATOM 995 CA GLU A 64 14.851 -5.149 -2.894 1.00 0.00 C ATOM 996 C GLU A 64 15.124 -4.119 -1.796 1.00 0.00 C ATOM 997 O GLU A 64 15.247 -2.928 -2.074 1.00 0.00 O ATOM 998 CB GLU A 64 15.813 -4.965 -4.070 1.00 0.00 C ATOM 999 CG GLU A 64 17.264 -5.164 -3.627 1.00 0.00 C ATOM 1000 CD GLU A 64 17.900 -6.353 -4.350 1.00 0.00 C ATOM 1001 OE1 GLU A 64 17.561 -6.542 -5.538 1.00 0.00 O ATOM 1002 OE2 GLU A 64 18.710 -7.047 -3.697 1.00 0.00 O ATOM 0 H GLU A 64 13.030 -4.154 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 64 15.019 -6.144 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.569 -5.676 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.691 -3.967 -4.492 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.838 -4.260 -3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.300 -5.327 -2.550 1.00 0.00 H new ATOM 1009 N ARG A 65 15.210 -4.617 -0.571 1.00 0.00 N ATOM 1010 CA ARG A 65 15.467 -3.755 0.571 1.00 0.00 C ATOM 1011 C ARG A 65 14.406 -2.656 0.655 1.00 0.00 C ATOM 1012 O ARG A 65 13.640 -2.454 -0.286 1.00 0.00 O ATOM 1013 CB ARG A 65 16.851 -3.111 0.475 1.00 0.00 C ATOM 1014 CG ARG A 65 17.863 -3.853 1.351 1.00 0.00 C ATOM 1015 CD ARG A 65 18.902 -2.889 1.926 1.00 0.00 C ATOM 1016 NE ARG A 65 20.192 -3.056 1.220 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.022 -4.091 1.408 1.00 0.00 C ATOM 1018 NH1 ARG A 65 20.702 -5.057 2.280 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.172 -4.161 0.724 1.00 0.00 N ATOM 0 H ARG A 65 15.106 -5.606 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 65 15.428 -4.373 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.188 -3.118 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.793 -2.068 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.343 -4.360 2.164 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.362 -4.623 0.763 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.553 -1.862 1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.034 -3.077 2.992 1.00 0.00 H new ATOM 0 HE ARG A 65 20.466 -2.339 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.826 -5.004 2.801 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.334 -5.845 2.423 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.416 -3.426 0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.804 -4.949 0.867 1.00 0.00 H new ATOM 1033 N PRO A 66 14.394 -1.956 1.821 1.00 0.00 N ATOM 1034 CA PRO A 66 13.440 -0.883 2.040 1.00 0.00 C ATOM 1035 C PRO A 66 13.832 0.369 1.253 1.00 0.00 C ATOM 1036 O PRO A 66 14.239 1.372 1.837 1.00 0.00 O ATOM 1037 CB PRO A 66 13.435 -0.662 3.544 1.00 0.00 C ATOM 1038 CG PRO A 66 14.718 -1.291 4.062 1.00 0.00 C ATOM 1039 CD PRO A 66 15.286 -2.168 2.957 1.00 0.00 C ATOM 0 HA PRO A 66 12.440 -1.130 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.397 0.401 3.782 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.561 -1.123 4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.435 -0.520 4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.519 -1.883 4.955 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.310 -1.886 2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.306 -3.216 3.254 1.00 0.00 H new ATOM 1047 N ILE A 67 13.695 0.269 -0.062 1.00 0.00 N ATOM 1048 CA ILE A 67 14.030 1.381 -0.935 1.00 0.00 C ATOM 1049 C ILE A 67 13.039 1.425 -2.100 1.00 0.00 C ATOM 1050 O ILE A 67 12.519 2.488 -2.437 1.00 0.00 O ATOM 1051 CB ILE A 67 15.493 1.295 -1.375 1.00 0.00 C ATOM 1052 CG1 ILE A 67 15.831 -0.108 -1.885 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.431 1.737 -0.250 1.00 0.00 C ATOM 1054 CD1 ILE A 67 15.715 -0.179 -3.409 1.00 0.00 C ATOM 0 H ILE A 67 13.357 -0.564 -0.543 1.00 0.00 H new ATOM 0 HA ILE A 67 13.937 2.326 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 67 15.640 1.984 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 67 16.843 -0.376 -1.581 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.159 -0.836 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.464 1.666 -0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.209 2.768 0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.289 1.092 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 67 15.960 -1.186 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 67 14.696 0.066 -3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.406 0.533 -3.860 1.00 0.00 H new ATOM 1066 N LYS A 68 12.808 0.258 -2.683 1.00 0.00 N ATOM 1067 CA LYS A 68 11.889 0.150 -3.803 1.00 0.00 C ATOM 1068 C LYS A 68 11.095 -1.152 -3.682 1.00 0.00 C ATOM 1069 O LYS A 68 11.675 -2.235 -3.635 1.00 0.00 O ATOM 1070 CB LYS A 68 12.640 0.291 -5.128 1.00 0.00 C ATOM 1071 CG LYS A 68 11.703 0.063 -6.316 1.00 0.00 C ATOM 1072 CD LYS A 68 11.697 1.276 -7.250 1.00 0.00 C ATOM 1073 CE LYS A 68 11.152 0.902 -8.630 1.00 0.00 C ATOM 1074 NZ LYS A 68 11.383 2.002 -9.593 1.00 0.00 N ATOM 0 H LYS A 68 13.241 -0.621 -2.401 1.00 0.00 H new ATOM 0 HA LYS A 68 11.168 0.967 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.083 1.285 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.460 -0.427 -5.164 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.017 -0.823 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.692 -0.128 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.088 2.070 -6.817 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.709 1.669 -7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.636 -0.008 -8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.085 0.689 -8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.007 1.732 -10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.901 2.861 -9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.404 2.186 -9.671 1.00 0.00 H new ATOM 1088 N LEU A 69 9.779 -1.003 -3.635 1.00 0.00 N ATOM 1089 CA LEU A 69 8.899 -2.154 -3.520 1.00 0.00 C ATOM 1090 C LEU A 69 7.618 -1.893 -4.314 1.00 0.00 C ATOM 1091 O LEU A 69 6.984 -0.851 -4.151 1.00 0.00 O ATOM 1092 CB LEU A 69 8.652 -2.494 -2.049 1.00 0.00 C ATOM 1093 CG LEU A 69 7.848 -3.769 -1.781 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.731 -5.011 -1.913 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.151 -3.702 -0.421 1.00 0.00 C ATOM 0 H LEU A 69 9.301 -0.103 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 69 9.368 -3.037 -3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.617 -2.585 -1.551 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.132 -1.656 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 69 7.068 -3.847 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.136 -5.903 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.140 -5.061 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.548 -4.955 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.587 -4.620 -0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.897 -3.588 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.471 -2.850 -0.402 1.00 0.00 H new ATOM 1107 N SER A 70 7.275 -2.856 -5.157 1.00 0.00 N ATOM 1108 CA SER A 70 6.082 -2.743 -5.977 1.00 0.00 C ATOM 1109 C SER A 70 5.426 -4.116 -6.139 1.00 0.00 C ATOM 1110 O SER A 70 6.089 -5.143 -6.008 1.00 0.00 O ATOM 1111 CB SER A 70 6.409 -2.146 -7.348 1.00 0.00 C ATOM 1112 OG SER A 70 5.233 -1.794 -8.071 1.00 0.00 O ATOM 0 H SER A 70 7.803 -3.718 -5.289 1.00 0.00 H new ATOM 0 HA SER A 70 5.385 -2.071 -5.475 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.033 -1.262 -7.219 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.989 -2.864 -7.927 1.00 0.00 H new ATOM 0 HG SER A 70 5.245 -0.834 -8.268 1.00 0.00 H new ATOM 1118 N PHE A 71 4.132 -4.088 -6.421 1.00 0.00 N ATOM 1119 CA PHE A 71 3.379 -5.318 -6.602 1.00 0.00 C ATOM 1120 C PHE A 71 2.122 -5.074 -7.440 1.00 0.00 C ATOM 1121 O PHE A 71 1.482 -4.031 -7.315 1.00 0.00 O ATOM 1122 CB PHE A 71 2.964 -5.798 -5.210 1.00 0.00 C ATOM 1123 CG PHE A 71 1.719 -5.101 -4.657 1.00 0.00 C ATOM 1124 CD1 PHE A 71 0.490 -5.419 -5.144 1.00 0.00 C ATOM 1125 CD2 PHE A 71 1.842 -4.165 -3.679 1.00 0.00 C ATOM 1126 CE1 PHE A 71 -0.666 -4.773 -4.631 1.00 0.00 C ATOM 1127 CE2 PHE A 71 0.686 -3.518 -3.166 1.00 0.00 C ATOM 1128 CZ PHE A 71 -0.543 -3.836 -3.653 1.00 0.00 C ATOM 0 H PHE A 71 3.586 -3.233 -6.529 1.00 0.00 H new ATOM 0 HA PHE A 71 3.991 -6.055 -7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.780 -6.872 -5.247 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.793 -5.640 -4.520 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.393 -6.163 -5.921 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.818 -3.913 -3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.642 -5.026 -5.017 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.783 -2.774 -2.389 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.422 -3.344 -3.263 1.00 0.00 H new ATOM 1138 N THR A 72 1.807 -6.052 -8.276 1.00 0.00 N ATOM 1139 CA THR A 72 0.639 -5.956 -9.134 1.00 0.00 C ATOM 1140 C THR A 72 -0.608 -6.446 -8.394 1.00 0.00 C ATOM 1141 O THR A 72 -0.531 -7.367 -7.583 1.00 0.00 O ATOM 1142 CB THR A 72 0.929 -6.736 -10.417 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.157 -8.070 -9.969 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.255 -6.329 -11.063 1.00 0.00 C ATOM 0 H THR A 72 2.341 -6.915 -8.377 1.00 0.00 H new ATOM 0 HA THR A 72 0.432 -4.921 -9.406 1.00 0.00 H new ATOM 0 HB THR A 72 0.116 -6.581 -11.127 1.00 0.00 H new ATOM 0 HG1 THR A 72 1.351 -8.645 -10.739 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.412 -6.913 -11.970 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.227 -5.269 -11.314 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.072 -6.515 -10.366 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.728 -5.808 -8.700 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.989 -6.167 -8.074 1.00 0.00 C ATOM 1154 C TRP A 73 -3.841 -6.900 -9.113 1.00 0.00 C ATOM 1155 O TRP A 73 -4.039 -6.402 -10.221 1.00 0.00 O ATOM 1156 CB TRP A 73 -3.684 -4.934 -7.494 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.828 -5.259 -6.532 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -5.768 -6.206 -6.658 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -5.115 -4.596 -5.282 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -6.637 -6.201 -5.586 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.228 -5.191 -4.723 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.457 -3.529 -4.646 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -6.779 -4.788 -3.501 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.021 -3.138 -3.426 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.140 -3.727 -2.849 1.00 0.00 C ATOM 0 H TRP A 73 -1.788 -5.044 -9.373 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.823 -6.833 -7.227 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -2.946 -4.326 -6.972 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -4.073 -4.330 -8.314 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -5.837 -6.887 -7.493 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -7.433 -6.824 -5.452 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -3.585 -3.049 -5.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.651 -5.270 -3.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.554 -2.321 -2.896 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -6.515 -3.368 -1.902 1.00 0.00 H new ATOM 1221 N TRP A 78 -5.074 -2.382 -11.357 1.00 0.00 N ATOM 1222 CA TRP A 78 -4.362 -1.256 -10.778 1.00 0.00 C ATOM 1223 C TRP A 78 -3.027 -1.770 -10.234 1.00 0.00 C ATOM 1224 O TRP A 78 -2.876 -2.962 -9.973 1.00 0.00 O ATOM 1225 CB TRP A 78 -5.212 -0.559 -9.714 1.00 0.00 C ATOM 1226 CG TRP A 78 -6.552 -0.036 -10.233 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -6.866 0.334 -11.482 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.755 0.162 -9.460 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -8.177 0.754 -11.571 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -8.735 0.646 -10.303 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -8.007 -0.061 -8.095 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -10.034 0.948 -9.874 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -9.309 0.246 -7.683 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -10.307 0.734 -8.518 1.00 0.00 C ATOM 0 HA TRP A 78 -4.161 -0.497 -11.534 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.398 -1.257 -8.897 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.645 0.274 -9.299 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -6.179 0.307 -12.315 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -8.650 1.083 -12.413 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.255 -0.439 -7.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -10.784 1.326 -10.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -9.555 0.093 -6.643 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -11.289 0.947 -8.122 1.00 0.00 H new ATOM 1245 N SER A 79 -2.091 -0.844 -10.081 1.00 0.00 N ATOM 1246 CA SER A 79 -0.774 -1.188 -9.573 1.00 0.00 C ATOM 1247 C SER A 79 -0.306 -0.130 -8.573 1.00 0.00 C ATOM 1248 O SER A 79 -0.373 1.066 -8.852 1.00 0.00 O ATOM 1249 CB SER A 79 0.237 -1.325 -10.713 1.00 0.00 C ATOM 1250 OG SER A 79 -0.294 -0.871 -11.955 1.00 0.00 O ATOM 0 H SER A 79 -2.219 0.144 -10.300 1.00 0.00 H new ATOM 0 HA SER A 79 -0.843 -2.151 -9.067 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.134 -0.755 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.538 -2.368 -10.807 1.00 0.00 H new ATOM 0 HG SER A 79 0.382 -0.973 -12.657 1.00 0.00 H new ATOM 1256 N VAL A 80 0.158 -0.608 -7.427 1.00 0.00 N ATOM 1257 CA VAL A 80 0.638 0.283 -6.384 1.00 0.00 C ATOM 1258 C VAL A 80 2.117 -0.002 -6.117 1.00 0.00 C ATOM 1259 O VAL A 80 2.554 -1.150 -6.182 1.00 0.00 O ATOM 1260 CB VAL A 80 -0.233 0.141 -5.134 1.00 0.00 C ATOM 1261 CG1 VAL A 80 -0.131 -1.270 -4.552 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.135 1.194 -4.087 1.00 0.00 C ATOM 0 H VAL A 80 0.212 -1.601 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 80 0.560 1.322 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.269 0.308 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.760 -1.344 -3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.465 -1.995 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.904 -1.478 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.499 1.071 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.180 1.073 -3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.013 2.190 -4.505 1.00 0.00 H new ATOM 1272 N THR A 81 2.848 1.064 -5.824 1.00 0.00 N ATOM 1273 CA THR A 81 4.269 0.943 -5.547 1.00 0.00 C ATOM 1274 C THR A 81 4.615 1.627 -4.222 1.00 0.00 C ATOM 1275 O THR A 81 4.183 2.751 -3.969 1.00 0.00 O ATOM 1276 CB THR A 81 5.034 1.514 -6.743 1.00 0.00 C ATOM 1277 OG1 THR A 81 4.761 0.598 -7.799 1.00 0.00 O ATOM 1278 CG2 THR A 81 6.551 1.432 -6.561 1.00 0.00 C ATOM 0 H THR A 81 2.483 2.015 -5.773 1.00 0.00 H new ATOM 0 HA THR A 81 4.560 -0.100 -5.424 1.00 0.00 H new ATOM 0 HB THR A 81 4.743 2.553 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.218 0.893 -8.614 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.046 1.850 -7.438 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.842 1.997 -5.676 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.847 0.390 -6.440 1.00 0.00 H new ATOM 1286 N PHE A 82 5.389 0.920 -3.412 1.00 0.00 N ATOM 1287 CA PHE A 82 5.797 1.444 -2.120 1.00 0.00 C ATOM 1288 C PHE A 82 7.210 2.028 -2.187 1.00 0.00 C ATOM 1289 O PHE A 82 8.008 1.635 -3.036 1.00 0.00 O ATOM 1290 CB PHE A 82 5.788 0.271 -1.138 1.00 0.00 C ATOM 1291 CG PHE A 82 4.387 -0.225 -0.774 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.549 0.571 -0.056 1.00 0.00 C ATOM 1293 CD2 PHE A 82 3.979 -1.460 -1.169 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.249 0.110 0.282 1.00 0.00 C ATOM 1295 CE2 PHE A 82 2.679 -1.921 -0.831 1.00 0.00 C ATOM 1296 CZ PHE A 82 1.841 -1.126 -0.113 1.00 0.00 C ATOM 0 H PHE A 82 5.744 -0.012 -3.626 1.00 0.00 H new ATOM 0 HA PHE A 82 5.119 2.239 -1.810 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.354 -0.555 -1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.305 0.570 -0.226 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.872 1.553 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.644 -2.091 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.584 0.741 0.853 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.356 -2.903 -1.144 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.852 -1.476 0.143 1.00 0.00 H new ATOM 1306 N HIS A 83 7.476 2.955 -1.279 1.00 0.00 N ATOM 1307 CA HIS A 83 8.779 3.596 -1.223 1.00 0.00 C ATOM 1308 C HIS A 83 9.171 3.837 0.236 1.00 0.00 C ATOM 1309 O HIS A 83 8.482 4.558 0.956 1.00 0.00 O ATOM 1310 CB HIS A 83 8.790 4.877 -2.060 1.00 0.00 C ATOM 1311 CG HIS A 83 9.214 4.671 -3.494 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.524 4.412 -3.859 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.488 4.686 -4.649 1.00 0.00 C ATOM 1314 CE1 HIS A 83 10.572 4.281 -5.177 1.00 0.00 C ATOM 1315 NE2 HIS A 83 9.310 4.451 -5.664 1.00 0.00 N ATOM 0 H HIS A 83 6.811 3.278 -0.576 1.00 0.00 H new ATOM 0 HA HIS A 83 9.531 2.939 -1.660 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.792 5.316 -2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.462 5.598 -1.593 1.00 0.00 H new ATOM 0 HD1 HIS A 83 11.317 4.335 -3.222 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.425 4.860 -4.724 1.00 0.00 H new ATOM 0 HE1 HIS A 83 11.456 4.076 -5.763 1.00 0.00 H new ATOM 1323 N LEU A 84 10.276 3.221 0.628 1.00 0.00 N ATOM 1324 CA LEU A 84 10.768 3.359 1.988 1.00 0.00 C ATOM 1325 C LEU A 84 12.107 4.098 1.969 1.00 0.00 C ATOM 1326 O LEU A 84 12.810 4.091 0.959 1.00 0.00 O ATOM 1327 CB LEU A 84 10.828 1.995 2.678 1.00 0.00 C ATOM 1328 CG LEU A 84 9.482 1.376 3.058 1.00 0.00 C ATOM 1329 CD1 LEU A 84 9.130 0.213 2.127 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.467 0.956 4.529 1.00 0.00 C ATOM 0 H LEU A 84 10.845 2.625 0.027 1.00 0.00 H new ATOM 0 HA LEU A 84 10.080 3.960 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.352 1.301 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.428 2.094 3.582 1.00 0.00 H new ATOM 0 HG LEU A 84 8.710 2.135 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.168 -0.209 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.071 0.574 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.900 -0.555 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.499 0.519 4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.252 0.220 4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.640 1.829 5.158 1.00 0.00 H new ATOM 1342 N LYS A 85 12.421 4.718 3.097 1.00 0.00 N ATOM 1343 CA LYS A 85 13.664 5.461 3.222 1.00 0.00 C ATOM 1344 C LYS A 85 13.816 5.954 4.662 1.00 0.00 C ATOM 1345 O LYS A 85 12.998 6.738 5.143 1.00 0.00 O ATOM 1346 CB LYS A 85 13.728 6.578 2.179 1.00 0.00 C ATOM 1347 CG LYS A 85 12.415 7.362 2.133 1.00 0.00 C ATOM 1348 CD LYS A 85 12.649 8.843 2.435 1.00 0.00 C ATOM 1349 CE LYS A 85 13.018 9.610 1.163 1.00 0.00 C ATOM 1350 NZ LYS A 85 12.029 10.678 0.897 1.00 0.00 N ATOM 0 H LYS A 85 11.836 4.721 3.933 1.00 0.00 H new ATOM 0 HA LYS A 85 14.517 4.814 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.551 7.253 2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 85 13.936 6.152 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.958 7.256 1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.714 6.946 2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 85 11.750 9.274 2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.447 8.946 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.012 10.045 1.269 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.058 8.924 0.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.294 11.189 0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.086 10.256 0.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.010 11.341 1.698 1.00 0.00 H new ATOM 1364 N GLU A 86 14.867 5.475 5.310 1.00 0.00 N ATOM 1365 CA GLU A 86 15.136 5.858 6.686 1.00 0.00 C ATOM 1366 C GLU A 86 15.573 7.322 6.754 1.00 0.00 C ATOM 1367 O GLU A 86 16.421 7.757 5.976 1.00 0.00 O ATOM 1368 CB GLU A 86 16.188 4.942 7.314 1.00 0.00 C ATOM 1369 CG GLU A 86 16.003 4.853 8.830 1.00 0.00 C ATOM 1370 CD GLU A 86 17.163 5.530 9.565 1.00 0.00 C ATOM 1371 OE1 GLU A 86 17.797 6.406 8.938 1.00 0.00 O ATOM 1372 OE2 GLU A 86 17.388 5.157 10.736 1.00 0.00 O ATOM 0 H GLU A 86 15.543 4.825 4.908 1.00 0.00 H new ATOM 0 HA GLU A 86 14.216 5.747 7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.116 3.946 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.185 5.319 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 86 15.063 5.326 9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.938 3.807 9.131 1.00 0.00 H new ATOM 1379 N GLU A 87 14.975 8.042 7.692 1.00 0.00 N ATOM 1380 CA GLU A 87 15.292 9.449 7.871 1.00 0.00 C ATOM 1381 C GLU A 87 16.181 9.640 9.102 1.00 0.00 C ATOM 1382 O GLU A 87 16.697 8.670 9.655 1.00 0.00 O ATOM 1383 CB GLU A 87 14.018 10.289 7.979 1.00 0.00 C ATOM 1384 CG GLU A 87 14.043 11.454 6.988 1.00 0.00 C ATOM 1385 CD GLU A 87 14.052 12.797 7.721 1.00 0.00 C ATOM 1386 OE1 GLU A 87 13.233 12.939 8.655 1.00 0.00 O ATOM 1387 OE2 GLU A 87 14.877 13.651 7.331 1.00 0.00 O ATOM 0 H GLU A 87 14.273 7.678 8.336 1.00 0.00 H new ATOM 0 HA GLU A 87 15.840 9.792 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.147 9.662 7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.916 10.673 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.925 11.377 6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.173 11.398 6.334 1.00 0.00 H new ATOM 1394 N GLU A 88 16.331 10.896 9.494 1.00 0.00 N ATOM 1395 CA GLU A 88 17.149 11.227 10.649 1.00 0.00 C ATOM 1396 C GLU A 88 16.896 10.229 11.781 1.00 0.00 C ATOM 1397 O GLU A 88 17.727 9.362 12.047 1.00 0.00 O ATOM 1398 CB GLU A 88 16.887 12.661 11.114 1.00 0.00 C ATOM 1399 CG GLU A 88 17.731 13.658 10.317 1.00 0.00 C ATOM 1400 CD GLU A 88 18.385 14.685 11.243 1.00 0.00 C ATOM 1401 OE1 GLU A 88 19.452 14.348 11.801 1.00 0.00 O ATOM 1402 OE2 GLU A 88 17.805 15.785 11.371 1.00 0.00 O ATOM 0 H GLU A 88 15.900 11.697 9.033 1.00 0.00 H new ATOM 0 HA GLU A 88 18.197 11.160 10.359 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.830 12.898 10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 88 17.117 12.751 12.176 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.500 13.124 9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.104 14.169 9.587 1.00 0.00 H new ATOM 1409 N ASN A 89 15.744 10.385 12.418 1.00 0.00 N ATOM 1410 CA ASN A 89 15.371 9.509 13.516 1.00 0.00 C ATOM 1411 C ASN A 89 13.957 8.975 13.279 1.00 0.00 C ATOM 1412 O ASN A 89 13.059 9.208 14.086 1.00 0.00 O ATOM 1413 CB ASN A 89 15.376 10.262 14.847 1.00 0.00 C ATOM 1414 CG ASN A 89 15.333 9.289 16.027 1.00 0.00 C ATOM 1415 OD1 ASN A 89 14.322 9.118 16.689 1.00 0.00 O ATOM 1416 ND2 ASN A 89 16.484 8.662 16.253 1.00 0.00 N ATOM 0 H ASN A 89 15.057 11.105 12.195 1.00 0.00 H new ATOM 0 HA ASN A 89 16.095 8.696 13.560 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.270 10.882 14.915 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.518 10.933 14.893 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.558 7.992 17.018 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.293 8.851 15.661 1.00 0.00 H new ATOM 1423 N GLY A 90 13.804 8.270 12.168 1.00 0.00 N ATOM 1424 CA GLY A 90 12.514 7.701 11.814 1.00 0.00 C ATOM 1425 C GLY A 90 12.534 7.138 10.392 1.00 0.00 C ATOM 1426 O GLY A 90 13.490 7.355 9.648 1.00 0.00 O ATOM 0 H GLY A 90 14.552 8.080 11.501 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.256 6.910 12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.741 8.465 11.895 1.00 0.00 H new ATOM 1430 N THR A 91 11.469 6.426 10.056 1.00 0.00 N ATOM 1431 CA THR A 91 11.352 5.830 8.736 1.00 0.00 C ATOM 1432 C THR A 91 10.276 6.548 7.920 1.00 0.00 C ATOM 1433 O THR A 91 9.209 6.871 8.440 1.00 0.00 O ATOM 1434 CB THR A 91 11.082 4.335 8.915 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.266 3.839 9.534 1.00 0.00 O ATOM 1436 CG2 THR A 91 11.019 3.588 7.581 1.00 0.00 C ATOM 0 H THR A 91 10.678 6.248 10.675 1.00 0.00 H new ATOM 0 HA THR A 91 12.275 5.943 8.168 1.00 0.00 H new ATOM 0 HB THR A 91 10.144 4.198 9.453 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.101 3.697 10.490 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.825 2.531 7.765 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.218 4.003 6.969 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.969 3.697 7.058 1.00 0.00 H new ATOM 1444 N ILE A 92 10.594 6.778 6.654 1.00 0.00 N ATOM 1445 CA ILE A 92 9.667 7.453 5.761 1.00 0.00 C ATOM 1446 C ILE A 92 8.979 6.417 4.871 1.00 0.00 C ATOM 1447 O ILE A 92 9.626 5.506 4.356 1.00 0.00 O ATOM 1448 CB ILE A 92 10.384 8.556 4.979 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.046 9.558 5.927 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.431 9.240 3.997 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.001 10.456 6.593 1.00 0.00 C ATOM 0 H ILE A 92 11.480 6.509 6.226 1.00 0.00 H new ATOM 0 HA ILE A 92 8.885 7.955 6.331 1.00 0.00 H new ATOM 0 HB ILE A 92 11.178 8.097 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.611 9.023 6.691 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.758 10.171 5.375 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.966 10.020 3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.047 8.504 3.290 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.600 9.684 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.498 11.159 7.262 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.455 11.008 5.828 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.305 9.842 7.164 1.00 0.00 H new ATOM 1463 N PHE A 93 7.674 6.590 4.716 1.00 0.00 N ATOM 1464 CA PHE A 93 6.890 5.681 3.897 1.00 0.00 C ATOM 1465 C PHE A 93 6.115 6.443 2.821 1.00 0.00 C ATOM 1466 O PHE A 93 5.345 7.351 3.131 1.00 0.00 O ATOM 1467 CB PHE A 93 5.896 4.984 4.828 1.00 0.00 C ATOM 1468 CG PHE A 93 5.263 3.725 4.233 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.398 3.828 3.188 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.566 2.503 4.748 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.810 2.659 2.635 1.00 0.00 C ATOM 1472 CE2 PHE A 93 4.978 1.335 4.195 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.113 1.437 3.150 1.00 0.00 C ATOM 0 H PHE A 93 7.140 7.346 5.144 1.00 0.00 H new ATOM 0 HA PHE A 93 7.547 4.969 3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.406 4.719 5.754 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.105 5.687 5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 93 4.158 4.798 2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.253 2.421 5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 93 3.123 2.740 1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.218 0.365 4.604 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.667 0.548 2.729 1.00 0.00 H new ATOM 1483 N THR A 94 6.346 6.046 1.578 1.00 0.00 N ATOM 1484 CA THR A 94 5.679 6.681 0.454 1.00 0.00 C ATOM 1485 C THR A 94 4.941 5.637 -0.387 1.00 0.00 C ATOM 1486 O THR A 94 5.503 4.596 -0.724 1.00 0.00 O ATOM 1487 CB THR A 94 6.727 7.467 -0.336 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.066 8.553 0.522 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.140 8.142 -1.577 1.00 0.00 C ATOM 0 H THR A 94 6.985 5.293 1.325 1.00 0.00 H new ATOM 0 HA THR A 94 4.914 7.380 0.792 1.00 0.00 H new ATOM 0 HB THR A 94 7.534 6.797 -0.634 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.742 9.114 0.088 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.926 8.686 -2.101 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.720 7.385 -2.239 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.356 8.837 -1.277 1.00 0.00 H new ATOM 1497 N ILE A 95 3.693 5.952 -0.703 1.00 0.00 N ATOM 1498 CA ILE A 95 2.873 5.054 -1.498 1.00 0.00 C ATOM 1499 C ILE A 95 2.595 5.695 -2.859 1.00 0.00 C ATOM 1500 O ILE A 95 2.479 6.915 -2.962 1.00 0.00 O ATOM 1501 CB ILE A 95 1.608 4.664 -0.731 1.00 0.00 C ATOM 1502 CG1 ILE A 95 0.533 4.132 -1.682 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.097 5.832 0.115 1.00 0.00 C ATOM 1504 CD1 ILE A 95 -0.142 5.276 -2.442 1.00 0.00 C ATOM 0 H ILE A 95 3.230 6.817 -0.423 1.00 0.00 H new ATOM 0 HA ILE A 95 3.403 4.121 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 95 1.860 3.856 -0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.981 3.435 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.214 3.575 -1.117 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.197 5.528 0.650 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.864 6.125 0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.865 6.677 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.901 4.870 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.610 5.958 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.604 5.815 -3.025 1.00 0.00 H new ATOM 1516 N VAL A 96 2.495 4.844 -3.869 1.00 0.00 N ATOM 1517 CA VAL A 96 2.233 5.312 -5.219 1.00 0.00 C ATOM 1518 C VAL A 96 1.228 4.375 -5.893 1.00 0.00 C ATOM 1519 O VAL A 96 1.508 3.193 -6.085 1.00 0.00 O ATOM 1520 CB VAL A 96 3.546 5.437 -5.994 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.334 6.179 -7.316 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.620 6.122 -5.147 1.00 0.00 C ATOM 0 H VAL A 96 2.591 3.832 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 96 1.787 6.307 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 96 3.895 4.431 -6.227 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.283 6.254 -7.847 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.617 5.633 -7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.951 7.179 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.543 6.198 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.282 7.120 -4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.801 5.536 -4.246 1.00 0.00 H new ATOM 1532 N HIS A 97 0.078 4.939 -6.233 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.970 4.169 -6.881 1.00 0.00 C ATOM 1534 C HIS A 97 -1.407 4.876 -8.165 1.00 0.00 C ATOM 1535 O HIS A 97 -1.593 6.092 -8.176 1.00 0.00 O ATOM 1536 CB HIS A 97 -2.132 3.915 -5.918 1.00 0.00 C ATOM 1537 CG HIS A 97 -3.057 2.803 -6.352 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.432 2.873 -6.210 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.790 1.594 -6.925 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.958 1.751 -6.679 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.939 0.960 -7.121 1.00 0.00 N ATOM 0 H HIS A 97 -0.151 5.920 -6.072 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.586 3.188 -7.161 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.729 3.675 -4.934 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.709 4.833 -5.811 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.952 3.655 -5.812 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.810 1.217 -7.176 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -6.009 1.506 -6.706 1.00 0.00 H new ATOM 1549 N SER A 98 -1.560 4.085 -9.216 1.00 0.00 N ATOM 1550 CA SER A 98 -1.972 4.620 -10.503 1.00 0.00 C ATOM 1551 C SER A 98 -2.714 3.547 -11.302 1.00 0.00 C ATOM 1552 O SER A 98 -2.659 2.366 -10.964 1.00 0.00 O ATOM 1553 CB SER A 98 -0.769 5.135 -11.296 1.00 0.00 C ATOM 1554 OG SER A 98 -0.064 6.154 -10.593 1.00 0.00 O ATOM 0 H SER A 98 -1.406 3.077 -9.203 1.00 0.00 H new ATOM 0 HA SER A 98 -2.643 5.461 -10.325 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.093 4.307 -11.508 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.107 5.524 -12.256 1.00 0.00 H new ATOM 0 HG SER A 98 0.698 6.456 -11.131 1.00 0.00 H new ATOM 1889 N MET A 121 -10.604 5.631 -2.823 1.00 0.00 N ATOM 1890 CA MET A 121 -9.506 4.712 -2.575 1.00 0.00 C ATOM 1891 C MET A 121 -8.270 5.459 -2.071 1.00 0.00 C ATOM 1892 O MET A 121 -7.524 4.942 -1.240 1.00 0.00 O ATOM 1893 CB MET A 121 -9.162 3.968 -3.867 1.00 0.00 C ATOM 1894 CG MET A 121 -9.505 2.481 -3.750 1.00 0.00 C ATOM 1895 SD MET A 121 -8.079 1.569 -3.184 1.00 0.00 S ATOM 1896 CE MET A 121 -7.971 0.334 -4.469 1.00 0.00 C ATOM 0 HA MET A 121 -9.816 4.002 -1.808 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.710 4.407 -4.701 1.00 0.00 H new ATOM 0 HB3 MET A 121 -8.101 4.084 -4.086 1.00 0.00 H new ATOM 0 HG2 MET A 121 -10.334 2.344 -3.055 1.00 0.00 H new ATOM 0 HG3 MET A 121 -9.832 2.098 -4.716 1.00 0.00 H new ATOM 0 HE1 MET A 121 -7.258 -0.436 -4.174 1.00 0.00 H new ATOM 0 HE2 MET A 121 -8.951 -0.118 -4.623 1.00 0.00 H new ATOM 0 HE3 MET A 121 -7.638 0.801 -5.396 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.091 6.663 -2.594 1.00 0.00 N ATOM 1907 CA ASP A 122 -6.958 7.486 -2.207 1.00 0.00 C ATOM 1908 C ASP A 122 -7.026 7.767 -0.705 1.00 0.00 C ATOM 1909 O ASP A 122 -6.030 7.625 0.003 1.00 0.00 O ATOM 1910 CB ASP A 122 -6.977 8.829 -2.940 1.00 0.00 C ATOM 1911 CG ASP A 122 -5.912 9.829 -2.485 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -5.867 10.094 -1.264 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.167 10.307 -3.368 1.00 0.00 O ATOM 0 H ASP A 122 -8.712 7.088 -3.283 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.046 6.947 -2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -6.849 8.645 -4.007 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.959 9.283 -2.810 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.211 8.160 -0.261 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.422 8.462 1.144 1.00 0.00 C ATOM 1920 C ARG A 123 -8.045 7.257 2.008 1.00 0.00 C ATOM 1921 O ARG A 123 -7.218 7.370 2.912 1.00 0.00 O ATOM 1922 CB ARG A 123 -9.881 8.838 1.414 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.125 10.322 1.134 1.00 0.00 C ATOM 1924 CD ARG A 123 -11.049 10.934 2.189 1.00 0.00 C ATOM 1925 NE ARG A 123 -10.920 12.408 2.180 1.00 0.00 N ATOM 1926 CZ ARG A 123 -11.327 13.204 3.178 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -11.890 12.672 4.272 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -11.170 14.531 3.083 1.00 0.00 N ATOM 0 H ARG A 123 -9.035 8.276 -0.850 1.00 0.00 H new ATOM 0 HA ARG A 123 -7.787 9.310 1.400 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.538 8.233 0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.132 8.614 2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.174 10.855 1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.567 10.441 0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -12.082 10.650 1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.797 10.545 3.175 1.00 0.00 H new ATOM 0 HE ARG A 123 -10.495 12.846 1.363 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -12.008 11.661 4.345 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -12.200 13.278 5.032 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -10.741 14.935 2.251 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -11.480 15.137 3.843 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.670 6.129 1.700 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.410 4.904 2.437 1.00 0.00 C ATOM 1944 C GLY A 124 -6.938 4.503 2.332 1.00 0.00 C ATOM 1945 O GLY A 124 -6.358 3.997 3.292 1.00 0.00 O ATOM 0 H GLY A 124 -9.356 6.038 0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.679 5.041 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.038 4.102 2.049 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.374 4.743 1.157 1.00 0.00 N ATOM 1950 CA TRP A 125 -4.981 4.413 0.914 1.00 0.00 C ATOM 1951 C TRP A 125 -4.133 5.138 1.962 1.00 0.00 C ATOM 1952 O TRP A 125 -3.332 4.514 2.657 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.578 4.756 -0.521 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.460 3.540 -1.442 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.091 3.320 -2.604 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.632 2.377 -1.230 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.731 2.107 -3.153 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.816 1.515 -2.291 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.756 2.065 -0.175 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -3.158 0.284 -2.402 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -2.106 0.831 -0.300 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -2.280 -0.048 -1.363 1.00 0.00 C ATOM 0 H TRP A 125 -6.858 5.162 0.363 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.816 3.340 1.014 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.312 5.445 -0.939 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.622 5.280 -0.504 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -5.793 4.006 -3.054 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.074 1.716 -4.031 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.597 2.725 0.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.319 -0.374 -3.243 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -1.422 0.542 0.484 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.740 -0.983 -1.387 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.339 6.444 2.042 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.604 7.260 2.993 1.00 0.00 C ATOM 1975 C HIS A 126 -3.935 6.812 4.418 1.00 0.00 C ATOM 1976 O HIS A 126 -3.036 6.575 5.223 1.00 0.00 O ATOM 1977 CB HIS A 126 -3.879 8.747 2.761 1.00 0.00 C ATOM 1978 CG HIS A 126 -2.731 9.651 3.140 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -2.905 10.983 3.475 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -1.394 9.401 3.236 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -1.718 11.502 3.756 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -0.783 10.520 3.607 1.00 0.00 N ATOM 0 H HIS A 126 -5.004 6.957 1.464 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.533 7.121 2.844 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.118 8.902 1.709 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -4.760 9.037 3.334 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -0.913 8.453 3.043 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -1.525 12.523 4.051 1.00 0.00 H new ATOM 0 HE2 HIS A 126 0.220 10.628 3.756 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.228 6.708 4.686 1.00 0.00 N ATOM 1991 CA ASP A 127 -5.690 6.292 5.999 1.00 0.00 C ATOM 1992 C ASP A 127 -5.006 4.978 6.383 1.00 0.00 C ATOM 1993 O ASP A 127 -4.565 4.812 7.519 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.202 6.057 6.003 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.051 7.306 5.758 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.577 8.399 6.138 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -9.154 7.141 5.195 1.00 0.00 O ATOM 0 H ASP A 127 -5.971 6.905 4.015 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.447 7.083 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.442 5.318 5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.485 5.626 6.963 1.00 0.00 H new ATOM 2002 N LEU A 128 -4.941 4.077 5.413 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.319 2.783 5.635 1.00 0.00 C ATOM 2004 C LEU A 128 -2.853 2.986 6.024 1.00 0.00 C ATOM 2005 O LEU A 128 -2.397 2.455 7.035 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.511 1.880 4.415 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.777 0.538 4.451 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.393 -0.396 5.493 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -3.735 -0.101 3.061 1.00 0.00 C ATOM 0 H LEU A 128 -5.309 4.218 4.472 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.801 2.267 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.577 1.685 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.186 2.426 3.529 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.746 0.720 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.853 -1.343 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.327 0.065 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.439 -0.577 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.208 -1.054 3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.752 -0.268 2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.215 0.563 2.371 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.157 3.756 5.201 1.00 0.00 N ATOM 2022 CA VAL A 129 -0.752 4.036 5.447 1.00 0.00 C ATOM 2023 C VAL A 129 -0.628 5.331 6.253 1.00 0.00 C ATOM 2024 O VAL A 129 0.267 6.137 6.006 1.00 0.00 O ATOM 2025 CB VAL A 129 0.012 4.082 4.122 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.443 5.267 3.267 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.522 4.125 4.362 1.00 0.00 C ATOM 0 H VAL A 129 -2.539 4.195 4.363 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.302 3.239 6.039 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.214 3.168 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 129 0.116 5.276 2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.508 5.174 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.262 6.196 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 129 2.042 4.157 3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.773 5.013 4.941 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.829 3.235 4.911 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.540 5.490 7.201 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.544 6.672 8.045 1.00 0.00 C ATOM 2039 C ASN A 130 -1.410 6.249 9.510 1.00 0.00 C ATOM 2040 O ASN A 130 -0.484 6.672 10.200 1.00 0.00 O ATOM 2041 CB ASN A 130 -2.852 7.451 7.896 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.616 8.790 7.193 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.038 9.841 7.645 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -1.920 8.692 6.064 1.00 0.00 N ATOM 0 H ASN A 130 -2.281 4.819 7.403 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.710 7.305 7.741 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.569 6.859 7.327 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.290 7.624 8.879 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.710 9.529 5.520 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -1.596 7.780 5.742 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.350 5.420 9.941 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.349 4.935 11.310 1.00 0.00 C ATOM 2053 C GLU A 131 -2.434 3.407 11.332 1.00 0.00 C ATOM 2054 O GLU A 131 -1.724 2.753 12.095 1.00 0.00 O ATOM 2055 CB GLU A 131 -3.491 5.559 12.114 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.845 5.258 11.468 1.00 0.00 C ATOM 2057 CD GLU A 131 -5.496 4.030 12.108 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -4.732 3.181 12.613 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -6.744 3.969 12.076 1.00 0.00 O ATOM 0 H GLU A 131 -3.117 5.072 9.366 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.412 5.234 11.780 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -3.476 5.173 13.133 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -3.347 6.637 12.180 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.503 6.120 11.575 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.713 5.089 10.399 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.308 2.883 10.486 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.496 1.444 10.399 1.00 0.00 C ATOM 2068 C ARG A 132 -2.143 0.739 10.287 1.00 0.00 C ATOM 2069 O ARG A 132 -1.940 -0.321 10.877 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.358 1.073 9.192 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.733 1.741 9.274 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.794 0.753 9.762 1.00 0.00 C ATOM 2073 NE ARG A 132 -7.953 1.488 10.316 1.00 0.00 N ATOM 2074 CZ ARG A 132 -8.911 2.054 9.569 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.854 1.972 8.233 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -9.926 2.701 10.159 1.00 0.00 N ATOM 0 H ARG A 132 -3.894 3.429 9.854 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.005 1.120 11.307 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -3.856 1.378 8.274 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.478 -0.009 9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -5.687 2.594 9.951 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.013 2.126 8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.117 0.117 8.938 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -6.370 0.098 10.523 1.00 0.00 H new ATOM 0 HE ARG A 132 -8.027 1.569 11.330 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.082 1.479 7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.583 2.403 7.664 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -9.969 2.762 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -10.655 3.132 9.591 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.251 1.355 9.525 1.00 0.00 N ATOM 2091 CA LEU A 133 0.077 0.800 9.328 1.00 0.00 C ATOM 2092 C LEU A 133 0.953 1.144 10.533 1.00 0.00 C ATOM 2093 O LEU A 133 1.641 0.278 11.072 1.00 0.00 O ATOM 2094 CB LEU A 133 0.659 1.265 7.991 1.00 0.00 C ATOM 2095 CG LEU A 133 2.184 1.223 7.873 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.707 -0.207 8.031 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.650 1.862 6.564 1.00 0.00 C ATOM 0 H LEU A 133 -1.422 2.234 9.036 1.00 0.00 H new ATOM 0 HA LEU A 133 0.030 -0.287 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.236 0.648 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.328 2.288 7.809 1.00 0.00 H new ATOM 0 HG LEU A 133 2.606 1.812 8.687 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.793 -0.209 7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.422 -0.593 9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 133 2.279 -0.839 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.738 1.819 6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 133 2.219 1.321 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.326 2.902 6.531 1.00 0.00 H new ATOM 2109 N ARG A 134 0.900 2.410 10.921 1.00 0.00 N ATOM 2110 CA ARG A 134 1.681 2.879 12.053 1.00 0.00 C ATOM 2111 C ARG A 134 1.410 2.009 13.282 1.00 0.00 C ATOM 2112 O ARG A 134 2.298 1.798 14.107 1.00 0.00 O ATOM 2113 CB ARG A 134 1.349 4.335 12.385 1.00 0.00 C ATOM 2114 CG ARG A 134 2.332 4.901 13.412 1.00 0.00 C ATOM 2115 CD ARG A 134 1.741 6.119 14.124 1.00 0.00 C ATOM 2116 NE ARG A 134 1.306 5.746 15.489 1.00 0.00 N ATOM 2117 CZ ARG A 134 0.386 6.419 16.194 1.00 0.00 C ATOM 2118 NH1 ARG A 134 -0.201 7.502 15.668 1.00 0.00 N ATOM 2119 NH2 ARG A 134 0.054 6.007 17.426 1.00 0.00 N ATOM 0 H ARG A 134 0.328 3.125 10.472 1.00 0.00 H new ATOM 0 HA ARG A 134 2.734 2.811 11.780 1.00 0.00 H new ATOM 0 HB2 ARG A 134 1.381 4.936 11.476 1.00 0.00 H new ATOM 0 HB3 ARG A 134 0.333 4.400 12.774 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.581 4.133 14.144 1.00 0.00 H new ATOM 0 HG3 ARG A 134 3.261 5.181 12.915 1.00 0.00 H new ATOM 0 HD2 ARG A 134 2.483 6.916 14.175 1.00 0.00 H new ATOM 0 HD3 ARG A 134 0.895 6.507 13.557 1.00 0.00 H new ATOM 0 HE ARG A 134 1.733 4.926 15.920 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.052 7.815 14.731 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.901 8.014 16.205 1.00 0.00 H new ATOM 0 HH21 ARG A 134 0.501 5.182 17.826 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -0.646 6.518 17.963 1.00 0.00 H new ATOM 2133 N GLN A 135 0.178 1.527 13.366 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.221 0.684 14.481 1.00 0.00 C ATOM 2135 C GLN A 135 0.493 -0.667 14.407 1.00 0.00 C ATOM 2136 O GLN A 135 0.404 -1.472 15.333 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.739 0.501 14.513 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.309 0.883 15.881 1.00 0.00 C ATOM 2139 CD GLN A 135 -3.750 0.393 16.031 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -4.639 0.760 15.281 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -3.931 -0.454 17.040 1.00 0.00 N ATOM 0 H GLN A 135 -0.556 1.704 12.681 1.00 0.00 H new ATOM 0 HA GLN A 135 0.072 1.177 15.408 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.199 1.115 13.739 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.989 -0.536 14.288 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.691 0.453 16.669 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.275 1.966 16.004 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -3.143 -0.720 17.630 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -4.858 -0.838 17.224 1.00 0.00 H new ATOM 2150 N ILE A 136 1.184 -0.875 13.296 1.00 0.00 N ATOM 2151 CA ILE A 136 1.913 -2.115 13.089 1.00 0.00 C ATOM 2152 C ILE A 136 3.297 -2.002 13.731 1.00 0.00 C ATOM 2153 O ILE A 136 3.908 -3.011 14.080 1.00 0.00 O ATOM 2154 CB ILE A 136 1.952 -2.472 11.602 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.550 -2.434 10.991 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.638 -3.821 11.379 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.349 -3.504 11.615 1.00 0.00 C ATOM 0 H ILE A 136 1.255 -0.206 12.530 1.00 0.00 H new ATOM 0 HA ILE A 136 1.401 -2.944 13.579 1.00 0.00 H new ATOM 0 HB ILE A 136 2.548 -1.719 11.086 1.00 0.00 H new ATOM 0 HG12 ILE A 136 0.109 -1.449 11.144 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.614 -2.591 9.914 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.652 -4.050 10.313 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.660 -3.776 11.754 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.091 -4.600 11.911 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.340 -3.456 11.163 1.00 0.00 H new ATOM 0 HD12 ILE A 136 0.082 -4.489 11.439 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.431 -3.330 12.688 1.00 0.00 H new ATOM 2169 N VAL A 137 3.752 -0.765 13.867 1.00 0.00 N ATOM 2170 CA VAL A 137 5.052 -0.507 14.461 1.00 0.00 C ATOM 2171 C VAL A 137 4.862 0.169 15.820 1.00 0.00 C ATOM 2172 O VAL A 137 5.773 0.173 16.648 1.00 0.00 O ATOM 2173 CB VAL A 137 5.912 0.316 13.499 1.00 0.00 C ATOM 2174 CG1 VAL A 137 6.067 -0.397 12.155 1.00 0.00 C ATOM 2175 CG2 VAL A 137 5.334 1.720 13.312 1.00 0.00 C ATOM 0 H VAL A 137 3.243 0.070 13.576 1.00 0.00 H new ATOM 0 HA VAL A 137 5.585 -1.442 14.635 1.00 0.00 H new ATOM 0 HB VAL A 137 6.904 0.418 13.940 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.682 0.209 11.490 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.544 -1.365 12.309 1.00 0.00 H new ATOM 0 HG13 VAL A 137 5.085 -0.545 11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.964 2.284 12.624 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.326 1.647 12.904 1.00 0.00 H new ATOM 0 HG23 VAL A 137 5.300 2.231 14.274 1.00 0.00 H new ATOM 2185 N GLU A 138 3.674 0.723 16.009 1.00 0.00 N ATOM 2186 CA GLU A 138 3.353 1.400 17.254 1.00 0.00 C ATOM 2187 C GLU A 138 2.428 0.530 18.108 1.00 0.00 C ATOM 2188 O GLU A 138 1.763 1.029 19.014 1.00 0.00 O ATOM 2189 CB GLU A 138 2.727 2.770 16.988 1.00 0.00 C ATOM 2190 CG GLU A 138 3.805 3.841 16.810 1.00 0.00 C ATOM 2191 CD GLU A 138 3.845 4.784 18.014 1.00 0.00 C ATOM 2192 OE1 GLU A 138 3.952 4.259 19.143 1.00 0.00 O ATOM 2193 OE2 GLU A 138 3.768 6.009 17.777 1.00 0.00 O ATOM 0 H GLU A 138 2.921 0.717 15.321 1.00 0.00 H new ATOM 0 HA GLU A 138 4.279 1.562 17.806 1.00 0.00 H new ATOM 0 HB2 GLU A 138 2.106 2.722 16.094 1.00 0.00 H new ATOM 0 HB3 GLU A 138 2.073 3.042 17.816 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.778 3.366 16.683 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.609 4.412 15.903 1.00 0.00 H new