USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 545 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 22 SER OG : rot 180:sc= -1.69! USER MOD Set 1.2: A 25 GLN : amide:sc= 0.435 K(o=-1.3,f=-5.7!) USER MOD Single : A 1 MET CE :methyl -161:sc= -1.75 (180deg=-1.91) USER MOD Single : A 1 MET N :NH3+ -176:sc= 1.24 (180deg=1.13) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -140:sc= 0.553 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0.0253 (180deg=0.0171) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= -0.0207 (180deg=-0.19) USER MOD Single : A 34 GLN : amide:sc= -0.0103 K(o=-0.01,f=-0.95) USER MOD Single : A 40 GLN : amide:sc= -0.244 K(o=-0.24,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.178 K(o=-0.18,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot 153:sc= 0.339 USER MOD Single : A 57 GLN : amide:sc= -0.869 K(o=-0.87,f=-1.6) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-2.7!) USER MOD Single : A 59 CYS SG : rot 160:sc= -0.958 USER MOD Single : A 63 GLN : amide:sc= 1.04 K(o=1,f=-0.58) USER MOD Single : A 64 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.26) USER MOD Single : A 68 HIS : no HD1:sc= -0.723 K(o=-0.72,f=-1.8!) USER MOD Single : A 71 GLN : amide:sc= -0.59 K(o=-0.59,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.592 -0.267 0.456 1.00 0.00 N ATOM 2 CA MET A 1 1.866 -0.739 -0.118 1.00 0.00 C ATOM 3 C MET A 1 1.599 -1.761 -1.208 1.00 0.00 C ATOM 4 O MET A 1 0.914 -2.749 -0.984 1.00 0.00 O ATOM 5 CB MET A 1 2.745 -1.355 0.975 1.00 0.00 C ATOM 6 CG MET A 1 4.111 -1.808 0.486 1.00 0.00 C ATOM 7 SD MET A 1 5.112 -2.541 1.792 1.00 0.00 S ATOM 8 CE MET A 1 6.622 -2.884 0.899 1.00 0.00 C ATOM 0 H1 MET A 1 0.781 0.481 1.153 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.011 0.111 -0.302 1.00 0.00 H new ATOM 0 H3 MET A 1 0.106 -1.060 0.922 1.00 0.00 H new ATOM 0 HA MET A 1 2.391 0.112 -0.551 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.880 -0.625 1.773 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.224 -2.209 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.982 -2.533 -0.317 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.642 -0.955 0.063 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.207 -3.624 1.445 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.379 -3.271 -0.091 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.201 -1.966 0.798 1.00 0.00 H new ATOM 20 N ILE A 2 2.128 -1.517 -2.385 1.00 0.00 N ATOM 21 CA ILE A 2 1.935 -2.424 -3.501 1.00 0.00 C ATOM 22 C ILE A 2 3.220 -3.177 -3.800 1.00 0.00 C ATOM 23 O ILE A 2 4.224 -2.581 -4.182 1.00 0.00 O ATOM 24 CB ILE A 2 1.465 -1.675 -4.772 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.135 -0.960 -4.503 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.330 -2.642 -5.947 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.378 -0.153 -5.675 1.00 0.00 C ATOM 0 H ILE A 2 2.697 -0.698 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 2 1.156 -3.131 -3.214 1.00 0.00 H new ATOM 0 HB ILE A 2 2.214 -0.927 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.616 -1.702 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.257 -0.299 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 2 0.999 -2.097 -6.831 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.295 -3.107 -6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 2 0.600 -3.413 -5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.322 0.321 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.352 0.613 -5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -0.534 -0.811 -6.530 1.00 0.00 H new ATOM 39 N VAL A 3 3.190 -4.478 -3.609 1.00 0.00 N ATOM 40 CA VAL A 3 4.354 -5.303 -3.857 1.00 0.00 C ATOM 41 C VAL A 3 4.123 -6.209 -5.050 1.00 0.00 C ATOM 42 O VAL A 3 2.983 -6.554 -5.367 1.00 0.00 O ATOM 43 CB VAL A 3 4.733 -6.151 -2.622 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.109 -5.251 -1.460 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.595 -7.085 -2.226 1.00 0.00 C ATOM 0 H VAL A 3 2.370 -4.989 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 3 5.184 -4.630 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 3 5.595 -6.764 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.374 -5.862 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.961 -4.631 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.263 -4.612 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.890 -7.669 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.709 -6.497 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.371 -7.757 -3.054 1.00 0.00 H new ATOM 55 N PHE A 4 5.191 -6.585 -5.711 1.00 0.00 N ATOM 56 CA PHE A 4 5.095 -7.440 -6.876 1.00 0.00 C ATOM 57 C PHE A 4 5.222 -8.898 -6.467 1.00 0.00 C ATOM 58 O PHE A 4 6.097 -9.256 -5.672 1.00 0.00 O ATOM 59 CB PHE A 4 6.177 -7.071 -7.890 1.00 0.00 C ATOM 60 CG PHE A 4 6.163 -5.620 -8.275 1.00 0.00 C ATOM 61 CD1 PHE A 4 7.191 -4.778 -7.881 1.00 0.00 C ATOM 62 CD2 PHE A 4 5.122 -5.096 -9.024 1.00 0.00 C ATOM 63 CE1 PHE A 4 7.182 -3.443 -8.229 1.00 0.00 C ATOM 64 CE2 PHE A 4 5.108 -3.761 -9.374 1.00 0.00 C ATOM 65 CZ PHE A 4 6.139 -2.934 -8.978 1.00 0.00 C ATOM 0 H PHE A 4 6.142 -6.312 -5.463 1.00 0.00 H new ATOM 0 HA PHE A 4 4.120 -7.295 -7.342 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.154 -7.320 -7.475 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.047 -7.678 -8.786 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.008 -5.171 -7.295 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.313 -5.739 -9.337 1.00 0.00 H new ATOM 0 HE1 PHE A 4 7.989 -2.797 -7.916 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.291 -3.364 -9.957 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.131 -1.890 -9.253 1.00 0.00 H new ATOM 75 N VAL A 5 4.358 -9.739 -7.002 1.00 0.00 N ATOM 76 CA VAL A 5 4.364 -11.141 -6.648 1.00 0.00 C ATOM 77 C VAL A 5 4.112 -12.034 -7.873 1.00 0.00 C ATOM 78 O VAL A 5 3.409 -11.651 -8.811 1.00 0.00 O ATOM 79 CB VAL A 5 3.296 -11.429 -5.557 1.00 0.00 C ATOM 80 CG1 VAL A 5 1.897 -11.291 -6.112 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.488 -12.793 -4.935 1.00 0.00 C ATOM 0 H VAL A 5 3.645 -9.474 -7.682 1.00 0.00 H new ATOM 0 HA VAL A 5 5.353 -11.376 -6.255 1.00 0.00 H new ATOM 0 HB VAL A 5 3.428 -10.683 -4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.171 -11.498 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.751 -10.276 -6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.758 -11.999 -6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.723 -12.958 -4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.406 -13.559 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.474 -12.847 -4.473 1.00 0.00 H new ATOM 91 N ARG A 6 4.720 -13.200 -7.865 1.00 0.00 N ATOM 92 CA ARG A 6 4.528 -14.185 -8.906 1.00 0.00 C ATOM 93 C ARG A 6 3.830 -15.384 -8.316 1.00 0.00 C ATOM 94 O ARG A 6 3.985 -15.672 -7.132 1.00 0.00 O ATOM 95 CB ARG A 6 5.864 -14.647 -9.485 1.00 0.00 C ATOM 96 CG ARG A 6 6.741 -13.547 -10.028 1.00 0.00 C ATOM 97 CD ARG A 6 7.949 -14.129 -10.732 1.00 0.00 C ATOM 98 NE ARG A 6 7.560 -14.904 -11.907 1.00 0.00 N ATOM 99 CZ ARG A 6 7.879 -16.183 -12.129 1.00 0.00 C ATOM 100 NH1 ARG A 6 8.583 -16.873 -11.232 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 7.483 -16.769 -13.249 1.00 0.00 N ATOM 0 H ARG A 6 5.365 -13.493 -7.131 1.00 0.00 H new ATOM 0 HA ARG A 6 3.936 -13.732 -9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.414 -15.179 -8.709 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.668 -15.362 -10.284 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.171 -12.929 -10.722 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.065 -12.897 -9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 6 8.620 -13.324 -11.031 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.503 -14.765 -10.042 1.00 0.00 H new ATOM 0 HE ARG A 6 6.999 -14.431 -12.616 1.00 0.00 H new ATOM 0 HH11 ARG A 6 8.884 -16.426 -10.366 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.821 -17.848 -11.411 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.939 -16.245 -13.934 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.722 -17.745 -13.426 1.00 0.00 H new ATOM 115 N PHE A 7 3.079 -16.085 -9.121 1.00 0.00 N ATOM 116 CA PHE A 7 2.407 -17.273 -8.660 1.00 0.00 C ATOM 117 C PHE A 7 2.591 -18.388 -9.674 1.00 0.00 C ATOM 118 O PHE A 7 2.682 -18.129 -10.869 1.00 0.00 O ATOM 119 CB PHE A 7 0.918 -17.000 -8.398 1.00 0.00 C ATOM 120 CG PHE A 7 0.222 -18.129 -7.691 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.348 -18.285 -6.323 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.547 -19.037 -8.393 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.275 -19.330 -5.673 1.00 0.00 C ATOM 124 CE2 PHE A 7 -1.176 -20.081 -7.748 1.00 0.00 C ATOM 125 CZ PHE A 7 -1.038 -20.229 -6.386 1.00 0.00 C ATOM 0 H PHE A 7 2.916 -15.855 -10.101 1.00 0.00 H new ATOM 0 HA PHE A 7 2.849 -17.583 -7.713 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.822 -16.093 -7.802 1.00 0.00 H new ATOM 0 HB3 PHE A 7 0.418 -16.812 -9.348 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.941 -17.581 -5.757 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -0.657 -18.928 -9.462 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.165 -19.444 -4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -1.776 -20.781 -8.310 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.526 -21.047 -5.878 1.00 0.00 H new ATOM 135 N ASN A 8 2.663 -19.621 -9.187 1.00 0.00 N ATOM 136 CA ASN A 8 2.862 -20.809 -10.036 1.00 0.00 C ATOM 137 C ASN A 8 1.852 -20.877 -11.189 1.00 0.00 C ATOM 138 O ASN A 8 2.188 -21.307 -12.286 1.00 0.00 O ATOM 139 CB ASN A 8 2.784 -22.088 -9.184 1.00 0.00 C ATOM 140 CG ASN A 8 2.909 -23.366 -10.001 1.00 0.00 C ATOM 141 OD1 ASN A 8 1.911 -23.936 -10.441 1.00 0.00 O ATOM 142 ND2 ASN A 8 4.131 -23.825 -10.200 1.00 0.00 N ATOM 0 H ASN A 8 2.586 -19.835 -8.193 1.00 0.00 H new ATOM 0 HA ASN A 8 3.854 -20.727 -10.481 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.575 -22.066 -8.435 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.836 -22.100 -8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.273 -24.682 -10.735 1.00 0.00 H new ATOM 0 HD22 ASN A 8 4.933 -23.323 -9.818 1.00 0.00 H new ATOM 188 N GLY A 12 3.091 -12.648 -13.148 1.00 0.00 N ATOM 189 CA GLY A 12 3.550 -11.627 -12.234 1.00 0.00 C ATOM 190 C GLY A 12 2.535 -10.516 -12.085 1.00 0.00 C ATOM 191 O GLY A 12 2.189 -9.849 -13.060 1.00 0.00 O ATOM 0 HA2 GLY A 12 3.748 -12.073 -11.259 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.493 -11.214 -12.593 1.00 0.00 H new ATOM 195 N PHE A 13 2.050 -10.320 -10.879 1.00 0.00 N ATOM 196 CA PHE A 13 1.057 -9.295 -10.615 1.00 0.00 C ATOM 197 C PHE A 13 1.353 -8.586 -9.297 1.00 0.00 C ATOM 198 O PHE A 13 1.994 -9.149 -8.416 1.00 0.00 O ATOM 199 CB PHE A 13 -0.364 -9.899 -10.610 1.00 0.00 C ATOM 200 CG PHE A 13 -0.562 -11.047 -9.648 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.059 -10.825 -8.372 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.264 -12.346 -10.028 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.253 -11.877 -7.497 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.454 -13.400 -9.155 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.949 -13.166 -7.889 1.00 0.00 C ATOM 0 H PHE A 13 2.327 -10.859 -10.059 1.00 0.00 H new ATOM 0 HA PHE A 13 1.106 -8.556 -11.415 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.077 -9.112 -10.366 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.601 -10.242 -11.617 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.297 -9.819 -8.059 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.121 -12.537 -11.019 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.642 -11.691 -6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.215 -14.407 -9.464 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.099 -13.989 -7.206 1.00 0.00 H new ATOM 215 N PRO A 14 0.921 -7.331 -9.156 1.00 0.00 N ATOM 216 CA PRO A 14 1.119 -6.577 -7.940 1.00 0.00 C ATOM 217 C PRO A 14 -0.025 -6.785 -6.946 1.00 0.00 C ATOM 218 O PRO A 14 -1.200 -6.835 -7.329 1.00 0.00 O ATOM 219 CB PRO A 14 1.140 -5.137 -8.441 1.00 0.00 C ATOM 220 CG PRO A 14 0.221 -5.131 -9.621 1.00 0.00 C ATOM 221 CD PRO A 14 0.222 -6.540 -10.184 1.00 0.00 C ATOM 0 HA PRO A 14 2.019 -6.873 -7.402 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.800 -4.445 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.147 -4.830 -8.722 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.785 -4.833 -9.326 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.558 -4.415 -10.370 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.792 -6.905 -10.349 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.737 -6.587 -11.143 1.00 0.00 H new ATOM 229 N VAL A 15 0.314 -6.920 -5.682 1.00 0.00 N ATOM 230 CA VAL A 15 -0.681 -7.085 -4.645 1.00 0.00 C ATOM 231 C VAL A 15 -0.673 -5.888 -3.707 1.00 0.00 C ATOM 232 O VAL A 15 0.364 -5.522 -3.142 1.00 0.00 O ATOM 233 CB VAL A 15 -0.491 -8.400 -3.842 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.474 -8.469 -2.683 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.691 -9.595 -4.750 1.00 0.00 C ATOM 0 H VAL A 15 1.277 -6.919 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.650 -7.149 -5.141 1.00 0.00 H new ATOM 0 HB VAL A 15 0.523 -8.414 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.324 -9.398 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.310 -7.622 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.493 -8.436 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.556 -10.513 -4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.698 -9.571 -5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.037 -9.562 -5.561 1.00 0.00 H new ATOM 245 N GLU A 16 -1.826 -5.271 -3.577 1.00 0.00 N ATOM 246 CA GLU A 16 -2.004 -4.111 -2.738 1.00 0.00 C ATOM 247 C GLU A 16 -2.217 -4.533 -1.282 1.00 0.00 C ATOM 248 O GLU A 16 -3.304 -4.977 -0.902 1.00 0.00 O ATOM 249 CB GLU A 16 -3.199 -3.317 -3.254 1.00 0.00 C ATOM 250 CG GLU A 16 -3.438 -1.995 -2.567 1.00 0.00 C ATOM 251 CD GLU A 16 -4.628 -1.279 -3.156 1.00 0.00 C ATOM 252 OE1 GLU A 16 -5.757 -1.517 -2.689 1.00 0.00 O ATOM 253 OE2 GLU A 16 -4.440 -0.492 -4.111 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.676 -5.566 -4.058 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.111 -3.487 -2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.061 -3.134 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.094 -3.930 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.601 -2.160 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.551 -1.368 -2.660 1.00 0.00 H new ATOM 260 N VAL A 17 -1.177 -4.410 -0.482 1.00 0.00 N ATOM 261 CA VAL A 17 -1.232 -4.790 0.921 1.00 0.00 C ATOM 262 C VAL A 17 -1.025 -3.584 1.828 1.00 0.00 C ATOM 263 O VAL A 17 -0.935 -2.443 1.356 1.00 0.00 O ATOM 264 CB VAL A 17 -0.178 -5.874 1.266 1.00 0.00 C ATOM 265 CG1 VAL A 17 -0.524 -7.188 0.591 1.00 0.00 C ATOM 266 CG2 VAL A 17 1.220 -5.420 0.863 1.00 0.00 C ATOM 0 H VAL A 17 -0.272 -4.046 -0.781 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.226 -5.203 1.092 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.189 -6.026 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.227 -7.936 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.503 -7.526 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.545 -7.047 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.942 -6.197 1.115 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.247 -5.234 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.473 -4.503 1.396 1.00 0.00 H new ATOM 276 N ASP A 18 -0.949 -3.841 3.119 1.00 0.00 N ATOM 277 CA ASP A 18 -0.755 -2.796 4.110 1.00 0.00 C ATOM 278 C ASP A 18 0.684 -2.824 4.608 1.00 0.00 C ATOM 279 O ASP A 18 1.375 -3.834 4.462 1.00 0.00 O ATOM 280 CB ASP A 18 -1.733 -3.002 5.278 1.00 0.00 C ATOM 281 CG ASP A 18 -1.642 -1.924 6.337 1.00 0.00 C ATOM 282 OD1 ASP A 18 -0.979 -2.153 7.366 1.00 0.00 O ATOM 283 OD2 ASP A 18 -2.235 -0.841 6.144 1.00 0.00 O1- ATOM 0 H ASP A 18 -1.020 -4.779 3.512 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.950 -1.823 3.658 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.751 -3.033 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.538 -3.971 5.739 1.00 0.00 H new ATOM 288 N SER A 19 1.133 -1.727 5.197 1.00 0.00 N ATOM 289 CA SER A 19 2.496 -1.626 5.703 1.00 0.00 C ATOM 290 C SER A 19 2.740 -2.565 6.895 1.00 0.00 C ATOM 291 O SER A 19 3.878 -2.757 7.319 1.00 0.00 O ATOM 292 CB SER A 19 2.798 -0.181 6.094 1.00 0.00 C ATOM 293 OG SER A 19 2.624 0.689 4.985 1.00 0.00 O ATOM 0 H SER A 19 0.570 -0.888 5.338 1.00 0.00 H new ATOM 0 HA SER A 19 3.171 -1.936 4.905 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.141 0.125 6.908 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.821 -0.106 6.464 1.00 0.00 H new ATOM 0 HG SER A 19 2.821 1.610 5.257 1.00 0.00 H new ATOM 299 N ASP A 20 1.680 -3.143 7.439 1.00 0.00 N ATOM 300 CA ASP A 20 1.833 -4.067 8.554 1.00 0.00 C ATOM 301 C ASP A 20 1.422 -5.478 8.171 1.00 0.00 C ATOM 302 O ASP A 20 1.215 -6.333 9.035 1.00 0.00 O ATOM 303 CB ASP A 20 1.066 -3.583 9.786 1.00 0.00 C ATOM 304 CG ASP A 20 1.744 -2.406 10.451 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.816 -2.597 11.061 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.211 -1.279 10.370 1.00 0.00 O1- ATOM 0 H ASP A 20 0.719 -2.993 7.133 1.00 0.00 H new ATOM 0 HA ASP A 20 2.892 -4.093 8.811 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.054 -3.301 9.495 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.976 -4.401 10.501 1.00 0.00 H new ATOM 311 N THR A 21 1.327 -5.726 6.877 1.00 0.00 N ATOM 312 CA THR A 21 0.998 -7.044 6.379 1.00 0.00 C ATOM 313 C THR A 21 2.220 -7.955 6.478 1.00 0.00 C ATOM 314 O THR A 21 3.262 -7.672 5.894 1.00 0.00 O ATOM 315 CB THR A 21 0.509 -6.976 4.908 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.694 -6.192 4.835 1.00 0.00 O ATOM 317 CG2 THR A 21 0.240 -8.368 4.345 1.00 0.00 C ATOM 0 H THR A 21 1.475 -5.026 6.150 1.00 0.00 H new ATOM 0 HA THR A 21 0.191 -7.450 6.989 1.00 0.00 H new ATOM 0 HB THR A 21 1.296 -6.513 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.317 -6.607 4.203 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.101 -8.284 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.157 -8.957 4.377 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.528 -8.860 4.942 1.00 0.00 H new ATOM 325 N SER A 22 2.101 -9.022 7.240 1.00 0.00 N ATOM 326 CA SER A 22 3.199 -9.949 7.399 1.00 0.00 C ATOM 327 C SER A 22 3.264 -10.907 6.218 1.00 0.00 C ATOM 328 O SER A 22 2.301 -11.026 5.454 1.00 0.00 O ATOM 329 CB SER A 22 3.046 -10.728 8.704 1.00 0.00 C ATOM 330 OG SER A 22 1.818 -11.425 8.733 1.00 0.00 O ATOM 0 H SER A 22 1.257 -9.268 7.757 1.00 0.00 H new ATOM 0 HA SER A 22 4.129 -9.382 7.435 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.871 -11.432 8.811 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.100 -10.043 9.550 1.00 0.00 H new ATOM 0 HG SER A 22 1.742 -11.918 9.576 1.00 0.00 H new ATOM 336 N ILE A 23 4.397 -11.579 6.065 1.00 0.00 N ATOM 337 CA ILE A 23 4.577 -12.552 4.995 1.00 0.00 C ATOM 338 C ILE A 23 3.554 -13.682 5.140 1.00 0.00 C ATOM 339 O ILE A 23 3.096 -14.252 4.151 1.00 0.00 O ATOM 340 CB ILE A 23 6.019 -13.137 5.000 1.00 0.00 C ATOM 341 CG1 ILE A 23 7.061 -12.003 4.959 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.228 -14.093 3.825 1.00 0.00 C ATOM 343 CD1 ILE A 23 6.950 -11.097 3.747 1.00 0.00 C ATOM 0 H ILE A 23 5.209 -11.467 6.672 1.00 0.00 H new ATOM 0 HA ILE A 23 4.423 -12.042 4.044 1.00 0.00 H new ATOM 0 HB ILE A 23 6.150 -13.700 5.924 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.959 -11.399 5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.059 -12.441 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.244 -14.487 3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.517 -14.916 3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.072 -13.558 2.888 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.720 -10.327 3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.084 -11.686 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.967 -10.627 3.733 1.00 0.00 H new ATOM 355 N PHE A 24 3.180 -13.974 6.386 1.00 0.00 N ATOM 356 CA PHE A 24 2.177 -14.990 6.674 1.00 0.00 C ATOM 357 C PHE A 24 0.838 -14.589 6.061 1.00 0.00 C ATOM 358 O PHE A 24 0.195 -15.382 5.368 1.00 0.00 O ATOM 359 CB PHE A 24 2.023 -15.170 8.187 1.00 0.00 C ATOM 360 CG PHE A 24 1.142 -16.324 8.576 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.572 -17.628 8.399 1.00 0.00 C ATOM 362 CD2 PHE A 24 -0.112 -16.105 9.121 1.00 0.00 C ATOM 363 CE1 PHE A 24 0.769 -18.693 8.755 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.921 -17.166 9.481 1.00 0.00 C ATOM 365 CZ PHE A 24 -0.480 -18.462 9.297 1.00 0.00 C ATOM 0 H PHE A 24 3.561 -13.516 7.214 1.00 0.00 H new ATOM 0 HA PHE A 24 2.501 -15.935 6.238 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.009 -15.314 8.628 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.614 -14.254 8.612 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.548 -17.815 7.977 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.462 -15.094 9.266 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.117 -19.705 8.610 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.897 -16.982 9.906 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.111 -19.293 9.576 1.00 0.00 H new ATOM 375 N GLN A 25 0.437 -13.347 6.312 1.00 0.00 N ATOM 376 CA GLN A 25 -0.812 -12.820 5.781 1.00 0.00 C ATOM 377 C GLN A 25 -0.722 -12.677 4.274 1.00 0.00 C ATOM 378 O GLN A 25 -1.646 -13.032 3.559 1.00 0.00 O ATOM 379 CB GLN A 25 -1.132 -11.464 6.400 1.00 0.00 C ATOM 380 CG GLN A 25 -1.173 -11.465 7.914 1.00 0.00 C ATOM 381 CD GLN A 25 -1.453 -10.092 8.476 1.00 0.00 C ATOM 382 OE1 GLN A 25 -0.535 -9.302 8.706 1.00 0.00 O ATOM 383 NE2 GLN A 25 -2.714 -9.797 8.706 1.00 0.00 N ATOM 0 H GLN A 25 0.963 -12.685 6.883 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.609 -13.520 6.032 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.386 -10.741 6.069 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.096 -11.123 6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.941 -12.159 8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.221 -11.828 8.302 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.443 -10.480 8.501 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.963 -8.885 9.089 1.00 0.00 H new ATOM 392 N LEU A 26 0.411 -12.158 3.800 1.00 0.00 N ATOM 393 CA LEU A 26 0.649 -11.977 2.369 1.00 0.00 C ATOM 394 C LEU A 26 0.498 -13.304 1.633 1.00 0.00 C ATOM 395 O LEU A 26 -0.072 -13.362 0.541 1.00 0.00 O ATOM 396 CB LEU A 26 2.049 -11.383 2.139 1.00 0.00 C ATOM 397 CG LEU A 26 2.479 -11.201 0.678 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.521 -10.279 -0.060 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.893 -10.651 0.618 1.00 0.00 C ATOM 0 H LEU A 26 1.184 -11.854 4.392 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.092 -11.283 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.094 -10.412 2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.778 -12.025 2.633 1.00 0.00 H new ATOM 0 HG LEU A 26 2.455 -12.174 0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.848 -10.166 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.518 -10.706 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.509 -9.303 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.190 -10.525 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.930 -9.687 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.575 -11.346 1.108 1.00 0.00 H new ATOM 411 N LYS A 27 1.003 -14.367 2.252 1.00 0.00 N ATOM 412 CA LYS A 27 0.874 -15.712 1.714 1.00 0.00 C ATOM 413 C LYS A 27 -0.600 -16.058 1.540 1.00 0.00 C ATOM 414 O LYS A 27 -1.027 -16.519 0.481 1.00 0.00 O ATOM 415 CB LYS A 27 1.513 -16.717 2.674 1.00 0.00 C ATOM 416 CG LYS A 27 1.462 -18.157 2.188 1.00 0.00 C ATOM 417 CD LYS A 27 1.812 -19.144 3.293 1.00 0.00 C ATOM 418 CE LYS A 27 0.786 -19.104 4.422 1.00 0.00 C ATOM 419 NZ LYS A 27 0.936 -20.250 5.348 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.510 -14.318 3.136 1.00 0.00 H new ATOM 0 HA LYS A 27 1.378 -15.757 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.554 -16.436 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.010 -16.652 3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.464 -18.376 1.808 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.155 -18.284 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.862 -20.152 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.801 -18.913 3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.894 -18.172 4.977 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.219 -19.108 3.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.340 -20.099 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.643 -21.125 4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.931 -20.332 5.641 1.00 0.00 H new ATOM 433 N GLU A 28 -1.366 -15.811 2.593 1.00 0.00 N ATOM 434 CA GLU A 28 -2.787 -16.091 2.606 1.00 0.00 C ATOM 435 C GLU A 28 -3.538 -15.230 1.595 1.00 0.00 C ATOM 436 O GLU A 28 -4.476 -15.698 0.960 1.00 0.00 O ATOM 437 CB GLU A 28 -3.346 -15.878 4.005 1.00 0.00 C ATOM 438 CG GLU A 28 -2.842 -16.879 5.027 1.00 0.00 C ATOM 439 CD GLU A 28 -3.505 -16.708 6.369 1.00 0.00 C ATOM 440 OE1 GLU A 28 -3.115 -15.795 7.115 1.00 0.00 O ATOM 441 OE2 GLU A 28 -4.430 -17.482 6.683 1.00 0.00 O1- ATOM 0 H GLU A 28 -1.015 -15.410 3.462 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.928 -17.133 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.090 -14.872 4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.434 -15.933 3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.022 -17.890 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.764 -16.768 5.140 1.00 0.00 H new ATOM 448 N VAL A 29 -3.121 -13.974 1.455 1.00 0.00 N ATOM 449 CA VAL A 29 -3.735 -13.060 0.492 1.00 0.00 C ATOM 450 C VAL A 29 -3.653 -13.637 -0.915 1.00 0.00 C ATOM 451 O VAL A 29 -4.659 -13.740 -1.616 1.00 0.00 O ATOM 452 CB VAL A 29 -3.058 -11.661 0.507 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.629 -10.773 -0.592 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.227 -10.992 1.862 1.00 0.00 C ATOM 0 H VAL A 29 -2.360 -13.564 1.996 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.778 -12.941 0.786 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.993 -11.803 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.141 -9.799 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.455 -11.238 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.701 -10.647 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.745 -10.015 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.288 -10.870 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.769 -11.611 2.633 1.00 0.00 H new ATOM 464 N VAL A 30 -2.453 -14.031 -1.312 1.00 0.00 N ATOM 465 CA VAL A 30 -2.234 -14.598 -2.632 1.00 0.00 C ATOM 466 C VAL A 30 -2.946 -15.944 -2.770 1.00 0.00 C ATOM 467 O VAL A 30 -3.541 -16.239 -3.807 1.00 0.00 O ATOM 468 CB VAL A 30 -0.725 -14.762 -2.933 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.507 -15.330 -4.330 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.009 -13.427 -2.784 1.00 0.00 C ATOM 0 H VAL A 30 -1.614 -13.968 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.653 -13.903 -3.359 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.308 -15.466 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.562 -15.436 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.987 -16.306 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.940 -14.655 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.052 -13.557 -2.999 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.435 -12.706 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.131 -13.061 -1.765 1.00 0.00 H new ATOM 480 N ALA A 31 -2.899 -16.744 -1.713 1.00 0.00 N ATOM 481 CA ALA A 31 -3.548 -18.048 -1.705 1.00 0.00 C ATOM 482 C ALA A 31 -5.052 -17.910 -1.890 1.00 0.00 C ATOM 483 O ALA A 31 -5.655 -18.610 -2.701 1.00 0.00 O ATOM 484 CB ALA A 31 -3.253 -18.774 -0.412 1.00 0.00 C ATOM 0 H ALA A 31 -2.415 -16.511 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.150 -18.627 -2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.745 -19.747 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.177 -18.912 -0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.625 -18.187 0.428 1.00 0.00 H new ATOM 490 N LYS A 32 -5.648 -17.001 -1.138 1.00 0.00 N ATOM 491 CA LYS A 32 -7.069 -16.746 -1.204 1.00 0.00 C ATOM 492 C LYS A 32 -7.438 -16.176 -2.570 1.00 0.00 C ATOM 493 O LYS A 32 -8.477 -16.507 -3.136 1.00 0.00 O ATOM 494 CB LYS A 32 -7.443 -15.757 -0.112 1.00 0.00 C ATOM 495 CG LYS A 32 -8.921 -15.479 0.018 1.00 0.00 C ATOM 496 CD LYS A 32 -9.169 -14.311 0.956 1.00 0.00 C ATOM 497 CE LYS A 32 -8.647 -14.586 2.365 1.00 0.00 C ATOM 498 NZ LYS A 32 -9.250 -15.805 2.961 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.154 -16.418 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.614 -17.679 -1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.074 -16.135 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.927 -14.816 -0.303 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.342 -15.259 -0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.431 -16.367 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.686 -13.418 0.559 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.238 -14.102 1.000 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.563 -14.698 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.861 -13.728 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.000 -15.859 3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.285 -15.764 2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.889 -16.647 2.469 1.00 0.00 H new ATOM 512 N ARG A 33 -6.563 -15.333 -3.089 1.00 0.00 N ATOM 513 CA ARG A 33 -6.757 -14.682 -4.378 1.00 0.00 C ATOM 514 C ARG A 33 -6.780 -15.710 -5.515 1.00 0.00 C ATOM 515 O ARG A 33 -7.493 -15.546 -6.508 1.00 0.00 O ATOM 516 CB ARG A 33 -5.625 -13.679 -4.604 1.00 0.00 C ATOM 517 CG ARG A 33 -5.842 -12.717 -5.757 1.00 0.00 C ATOM 518 CD ARG A 33 -4.805 -11.603 -5.723 1.00 0.00 C ATOM 519 NE ARG A 33 -5.013 -10.617 -6.781 1.00 0.00 N ATOM 520 CZ ARG A 33 -5.177 -9.303 -6.575 1.00 0.00 C ATOM 521 NH1 ARG A 33 -5.220 -8.814 -5.334 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -5.321 -8.485 -7.609 1.00 0.00 N ATOM 0 H ARG A 33 -5.691 -15.077 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.717 -14.166 -4.373 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.484 -13.102 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.701 -14.230 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.777 -13.254 -6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.844 -12.291 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.842 -11.105 -4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.809 -12.034 -5.822 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.035 -10.952 -7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.128 -9.441 -4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.345 -7.813 -5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.307 -8.856 -8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.446 -7.485 -7.454 1.00 0.00 H new ATOM 536 N GLN A 34 -5.999 -16.761 -5.356 1.00 0.00 N ATOM 537 CA GLN A 34 -5.897 -17.803 -6.365 1.00 0.00 C ATOM 538 C GLN A 34 -6.869 -18.951 -6.084 1.00 0.00 C ATOM 539 O GLN A 34 -7.157 -19.763 -6.965 1.00 0.00 O ATOM 540 CB GLN A 34 -4.460 -18.310 -6.433 1.00 0.00 C ATOM 541 CG GLN A 34 -3.462 -17.230 -6.836 1.00 0.00 C ATOM 542 CD GLN A 34 -3.550 -16.868 -8.306 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.878 -17.704 -9.144 1.00 0.00 O ATOM 544 NE2 GLN A 34 -3.260 -15.625 -8.630 1.00 0.00 N ATOM 0 H GLN A 34 -5.420 -16.918 -4.531 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.171 -17.379 -7.331 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.177 -18.713 -5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.405 -19.132 -7.147 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.637 -16.337 -6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.452 -17.573 -6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.992 -14.959 -7.906 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.304 -15.329 -9.605 1.00 0.00 H new ATOM 553 N GLY A 35 -7.372 -19.005 -4.859 1.00 0.00 N ATOM 554 CA GLY A 35 -8.318 -20.040 -4.480 1.00 0.00 C ATOM 555 C GLY A 35 -7.629 -21.340 -4.127 1.00 0.00 C ATOM 556 O GLY A 35 -8.092 -22.420 -4.493 1.00 0.00 O ATOM 0 H GLY A 35 -7.141 -18.347 -4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.906 -19.699 -3.628 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.015 -20.211 -5.300 1.00 0.00 H new ATOM 560 N VAL A 36 -6.519 -21.238 -3.415 1.00 0.00 N ATOM 561 CA VAL A 36 -5.747 -22.411 -3.035 1.00 0.00 C ATOM 562 C VAL A 36 -5.455 -22.405 -1.536 1.00 0.00 C ATOM 563 O VAL A 36 -5.498 -21.351 -0.896 1.00 0.00 O ATOM 564 CB VAL A 36 -4.405 -22.475 -3.811 1.00 0.00 C ATOM 565 CG1 VAL A 36 -4.654 -22.491 -5.309 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.496 -21.307 -3.430 1.00 0.00 C ATOM 0 H VAL A 36 -6.131 -20.353 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.345 -23.287 -3.286 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.900 -23.400 -3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.701 -22.536 -5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.254 -23.363 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.186 -21.585 -5.599 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.562 -21.376 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.993 -20.367 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.284 -21.345 -2.362 1.00 0.00 H new ATOM 576 N PRO A 37 -5.176 -23.584 -0.948 1.00 0.00 N ATOM 577 CA PRO A 37 -4.820 -23.688 0.466 1.00 0.00 C ATOM 578 C PRO A 37 -3.477 -23.017 0.745 1.00 0.00 C ATOM 579 O PRO A 37 -2.450 -23.404 0.180 1.00 0.00 O ATOM 580 CB PRO A 37 -4.716 -25.203 0.712 1.00 0.00 C ATOM 581 CG PRO A 37 -5.390 -25.840 -0.456 1.00 0.00 C ATOM 582 CD PRO A 37 -5.203 -24.899 -1.605 1.00 0.00 C ATOM 0 HA PRO A 37 -5.548 -23.197 1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.675 -25.519 0.786 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.201 -25.484 1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.953 -26.814 -0.675 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.449 -26.003 -0.254 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.278 -25.100 -2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.017 -24.974 -2.326 1.00 0.00 H new ATOM 590 N ALA A 38 -3.488 -22.022 1.619 1.00 0.00 N ATOM 591 CA ALA A 38 -2.284 -21.262 1.942 1.00 0.00 C ATOM 592 C ALA A 38 -1.267 -22.101 2.702 1.00 0.00 C ATOM 593 O ALA A 38 -0.091 -21.753 2.772 1.00 0.00 O ATOM 594 CB ALA A 38 -2.643 -20.014 2.729 1.00 0.00 C ATOM 0 H ALA A 38 -4.322 -21.718 2.122 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.820 -20.967 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.735 -19.458 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.309 -19.388 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.142 -20.299 3.655 1.00 0.00 H new ATOM 600 N ASP A 39 -1.719 -23.203 3.269 1.00 0.00 N ATOM 601 CA ASP A 39 -0.834 -24.094 4.009 1.00 0.00 C ATOM 602 C ASP A 39 0.001 -24.930 3.049 1.00 0.00 C ATOM 603 O ASP A 39 1.110 -25.349 3.373 1.00 0.00 O ATOM 604 CB ASP A 39 -1.631 -24.998 4.952 1.00 0.00 C ATOM 605 CG ASP A 39 -2.447 -24.209 5.954 1.00 0.00 C ATOM 606 OD1 ASP A 39 -1.853 -23.568 6.840 1.00 0.00 O ATOM 607 OD2 ASP A 39 -3.696 -24.221 5.849 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.692 -23.506 3.234 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.164 -23.482 4.613 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.295 -25.634 4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.946 -25.658 5.484 1.00 0.00 H new ATOM 612 N GLN A 40 -0.532 -25.146 1.853 1.00 0.00 N ATOM 613 CA GLN A 40 0.166 -25.904 0.819 1.00 0.00 C ATOM 614 C GLN A 40 0.897 -24.947 -0.106 1.00 0.00 C ATOM 615 O GLN A 40 1.258 -25.297 -1.229 1.00 0.00 O ATOM 616 CB GLN A 40 -0.823 -26.734 -0.007 1.00 0.00 C ATOM 617 CG GLN A 40 -1.705 -27.667 0.803 1.00 0.00 C ATOM 618 CD GLN A 40 -2.615 -28.499 -0.082 1.00 0.00 C ATOM 619 OE1 GLN A 40 -2.976 -28.088 -1.182 1.00 0.00 O ATOM 620 NE2 GLN A 40 -3.003 -29.663 0.392 1.00 0.00 N ATOM 0 H GLN A 40 -1.452 -24.805 1.573 1.00 0.00 H new ATOM 0 HA GLN A 40 0.875 -26.575 1.304 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.460 -26.055 -0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.263 -27.325 -0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.079 -28.328 1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.309 -27.083 1.497 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.683 -29.972 1.310 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.624 -30.256 -0.158 1.00 0.00 H new ATOM 629 N LEU A 41 1.115 -23.743 0.367 1.00 0.00 N ATOM 630 CA LEU A 41 1.738 -22.727 -0.433 1.00 0.00 C ATOM 631 C LEU A 41 3.179 -22.488 0.011 1.00 0.00 C ATOM 632 O LEU A 41 3.470 -22.425 1.208 1.00 0.00 O ATOM 633 CB LEU A 41 0.926 -21.441 -0.349 1.00 0.00 C ATOM 634 CG LEU A 41 1.220 -20.404 -1.416 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.968 -20.988 -2.795 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.361 -19.173 -1.201 1.00 0.00 C ATOM 0 H LEU A 41 0.866 -23.446 1.310 1.00 0.00 H new ATOM 0 HA LEU A 41 1.765 -23.063 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.132 -21.698 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.097 -20.989 0.628 1.00 0.00 H new ATOM 0 HG LEU A 41 2.268 -20.114 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.182 -20.235 -3.554 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.615 -21.852 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.074 -21.297 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.581 -18.436 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.692 -19.450 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.575 -18.747 -0.221 1.00 0.00 H new ATOM 648 N ARG A 42 4.068 -22.357 -0.957 1.00 0.00 N ATOM 649 CA ARG A 42 5.478 -22.143 -0.691 1.00 0.00 C ATOM 650 C ARG A 42 5.949 -20.816 -1.286 1.00 0.00 C ATOM 651 O ARG A 42 5.841 -20.588 -2.492 1.00 0.00 O ATOM 652 CB ARG A 42 6.303 -23.323 -1.244 1.00 0.00 C ATOM 653 CG ARG A 42 7.807 -23.071 -1.352 1.00 0.00 C ATOM 654 CD ARG A 42 8.423 -22.648 -0.025 1.00 0.00 C ATOM 655 NE ARG A 42 8.289 -23.666 1.018 1.00 0.00 N ATOM 656 CZ ARG A 42 9.210 -23.889 1.956 1.00 0.00 C ATOM 657 NH1 ARG A 42 10.351 -23.214 1.939 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 8.996 -24.793 2.899 1.00 0.00 N ATOM 0 H ARG A 42 3.833 -22.396 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 42 5.627 -22.091 0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.141 -24.190 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.922 -23.580 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.300 -23.977 -1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.990 -22.297 -2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.480 -22.427 -0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.949 -21.726 0.312 1.00 0.00 H new ATOM 0 HE ARG A 42 7.444 -24.237 1.028 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.524 -22.524 1.208 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.055 -23.385 2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.124 -25.322 2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.703 -24.961 3.615 1.00 0.00 H new ATOM 672 N VAL A 43 6.461 -19.945 -0.428 1.00 0.00 N ATOM 673 CA VAL A 43 6.955 -18.649 -0.856 1.00 0.00 C ATOM 674 C VAL A 43 8.484 -18.659 -0.980 1.00 0.00 C ATOM 675 O VAL A 43 9.190 -19.129 -0.082 1.00 0.00 O ATOM 676 CB VAL A 43 6.507 -17.513 0.114 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.989 -17.425 0.166 1.00 0.00 C ATOM 678 CG2 VAL A 43 7.071 -17.725 1.516 1.00 0.00 C ATOM 0 H VAL A 43 6.544 -20.116 0.574 1.00 0.00 H new ATOM 0 HA VAL A 43 6.522 -18.449 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 43 6.903 -16.573 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.694 -16.627 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.603 -17.212 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.581 -18.373 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.740 -16.916 2.167 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.716 -18.677 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.160 -17.733 1.473 1.00 0.00 H new ATOM 688 N ILE A 44 8.982 -18.170 -2.103 1.00 0.00 N ATOM 689 CA ILE A 44 10.415 -18.100 -2.357 1.00 0.00 C ATOM 690 C ILE A 44 10.805 -16.678 -2.758 1.00 0.00 C ATOM 691 O ILE A 44 10.121 -16.036 -3.553 1.00 0.00 O ATOM 692 CB ILE A 44 10.846 -19.086 -3.486 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.538 -20.538 -3.094 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.332 -18.928 -3.820 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.300 -21.023 -1.874 1.00 0.00 C ATOM 0 H ILE A 44 8.407 -17.810 -2.865 1.00 0.00 H new ATOM 0 HA ILE A 44 10.927 -18.384 -1.437 1.00 0.00 H new ATOM 0 HB ILE A 44 10.268 -18.840 -4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.469 -20.633 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 44 10.771 -21.188 -3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.604 -19.628 -4.610 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.523 -17.909 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.929 -19.134 -2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.027 -22.057 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.371 -20.962 -2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.049 -20.399 -1.016 1.00 0.00 H new ATOM 707 N PHE A 45 11.888 -16.191 -2.195 1.00 0.00 N ATOM 708 CA PHE A 45 12.376 -14.864 -2.498 1.00 0.00 C ATOM 709 C PHE A 45 13.889 -14.829 -2.403 1.00 0.00 C ATOM 710 O PHE A 45 14.454 -15.276 -1.413 1.00 0.00 O ATOM 711 CB PHE A 45 11.768 -13.837 -1.539 1.00 0.00 C ATOM 712 CG PHE A 45 12.351 -12.463 -1.685 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.988 -11.655 -2.742 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.271 -11.985 -0.762 1.00 0.00 C ATOM 715 CE1 PHE A 45 12.528 -10.397 -2.882 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.813 -10.725 -0.897 1.00 0.00 C ATOM 717 CZ PHE A 45 13.443 -9.931 -1.958 1.00 0.00 C ATOM 0 H PHE A 45 12.454 -16.701 -1.517 1.00 0.00 H new ATOM 0 HA PHE A 45 12.078 -14.611 -3.515 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.692 -13.786 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.914 -14.178 -0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.273 -12.013 -3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.565 -12.607 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.236 -9.774 -3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.526 -10.362 -0.172 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.868 -8.944 -2.068 1.00 0.00 H new ATOM 727 N ALA A 46 14.537 -14.316 -3.449 1.00 0.00 N ATOM 728 CA ALA A 46 16.002 -14.184 -3.490 1.00 0.00 C ATOM 729 C ALA A 46 16.705 -15.528 -3.272 1.00 0.00 C ATOM 730 O ALA A 46 17.861 -15.577 -2.852 1.00 0.00 O ATOM 731 CB ALA A 46 16.475 -13.155 -2.464 1.00 0.00 C ATOM 0 H ALA A 46 14.068 -13.980 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 46 16.271 -13.836 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.561 -13.070 -2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.026 -12.187 -2.686 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.176 -13.473 -1.465 1.00 0.00 H new ATOM 737 N GLY A 47 16.002 -16.614 -3.570 1.00 0.00 N ATOM 738 CA GLY A 47 16.575 -17.935 -3.417 1.00 0.00 C ATOM 739 C GLY A 47 16.357 -18.529 -2.035 1.00 0.00 C ATOM 740 O GLY A 47 16.813 -19.638 -1.757 1.00 0.00 O ATOM 0 H GLY A 47 15.042 -16.602 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 47 16.141 -18.600 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 47 17.645 -17.885 -3.619 1.00 0.00 H new ATOM 744 N LYS A 48 15.661 -17.810 -1.173 1.00 0.00 N ATOM 745 CA LYS A 48 15.400 -18.291 0.179 1.00 0.00 C ATOM 746 C LYS A 48 13.913 -18.272 0.487 1.00 0.00 C ATOM 747 O LYS A 48 13.102 -17.837 -0.335 1.00 0.00 O ATOM 748 CB LYS A 48 16.136 -17.440 1.211 1.00 0.00 C ATOM 749 CG LYS A 48 15.678 -15.996 1.252 1.00 0.00 C ATOM 750 CD LYS A 48 16.151 -15.313 2.509 1.00 0.00 C ATOM 751 CE LYS A 48 15.812 -13.835 2.491 1.00 0.00 C ATOM 752 NZ LYS A 48 16.485 -13.099 3.589 1.00 0.00 N1+ ATOM 0 H LYS A 48 15.266 -16.893 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 48 15.763 -19.317 0.234 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.999 -17.883 2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.204 -17.467 0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.060 -15.465 0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.590 -15.955 1.199 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.690 -15.784 3.377 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.229 -15.440 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.107 -13.407 1.533 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.733 -13.709 2.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.227 -12.093 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.185 -13.490 4.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.516 -13.197 3.492 1.00 0.00 H new ATOM 766 N GLU A 49 13.562 -18.741 1.668 1.00 0.00 N ATOM 767 CA GLU A 49 12.189 -18.727 2.117 1.00 0.00 C ATOM 768 C GLU A 49 12.020 -17.694 3.224 1.00 0.00 C ATOM 769 O GLU A 49 12.708 -17.740 4.242 1.00 0.00 O ATOM 770 CB GLU A 49 11.752 -20.118 2.603 1.00 0.00 C ATOM 771 CG GLU A 49 12.630 -20.694 3.701 1.00 0.00 C ATOM 772 CD GLU A 49 12.097 -21.992 4.260 1.00 0.00 C ATOM 773 OE1 GLU A 49 12.410 -23.063 3.696 1.00 0.00 O ATOM 774 OE2 GLU A 49 11.365 -21.952 5.271 1.00 0.00 O1- ATOM 0 H GLU A 49 14.219 -19.140 2.339 1.00 0.00 H new ATOM 0 HA GLU A 49 11.551 -18.455 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.726 -20.059 2.966 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.751 -20.804 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.633 -20.858 3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.719 -19.966 4.508 1.00 0.00 H new ATOM 781 N LEU A 50 11.139 -16.747 2.999 1.00 0.00 N ATOM 782 CA LEU A 50 10.863 -15.698 3.977 1.00 0.00 C ATOM 783 C LEU A 50 10.238 -16.278 5.240 1.00 0.00 C ATOM 784 O LEU A 50 9.687 -17.383 5.226 1.00 0.00 O ATOM 785 CB LEU A 50 9.920 -14.645 3.386 1.00 0.00 C ATOM 786 CG LEU A 50 10.401 -13.945 2.117 1.00 0.00 C ATOM 787 CD1 LEU A 50 9.396 -12.900 1.666 1.00 0.00 C ATOM 788 CD2 LEU A 50 11.770 -13.318 2.331 1.00 0.00 C ATOM 0 H LEU A 50 10.592 -16.674 2.141 1.00 0.00 H new ATOM 0 HA LEU A 50 11.813 -15.230 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.964 -15.123 3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.734 -13.886 4.146 1.00 0.00 H new ATOM 0 HG LEU A 50 10.491 -14.694 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.759 -12.414 0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.439 -13.380 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.268 -12.155 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.092 -12.825 1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 50 11.713 -12.585 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.488 -14.094 2.597 1.00 0.00 H new ATOM 800 N ARG A 51 10.333 -15.535 6.326 1.00 0.00 N ATOM 801 CA ARG A 51 9.730 -15.944 7.579 1.00 0.00 C ATOM 802 C ARG A 51 8.308 -15.419 7.668 1.00 0.00 C ATOM 803 O ARG A 51 8.010 -14.330 7.182 1.00 0.00 O ATOM 804 CB ARG A 51 10.556 -15.472 8.783 1.00 0.00 C ATOM 805 CG ARG A 51 10.956 -14.004 8.741 1.00 0.00 C ATOM 806 CD ARG A 51 12.426 -13.846 8.383 1.00 0.00 C ATOM 807 NE ARG A 51 13.291 -14.472 9.388 1.00 0.00 N ATOM 808 CZ ARG A 51 14.550 -14.848 9.179 1.00 0.00 C ATOM 809 NH1 ARG A 51 15.117 -14.660 8.001 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 15.241 -15.418 10.158 1.00 0.00 N ATOM 0 H ARG A 51 10.824 -14.642 6.365 1.00 0.00 H new ATOM 0 HA ARG A 51 9.709 -17.034 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.984 -15.653 9.693 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.459 -16.079 8.848 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.342 -13.478 8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.763 -13.544 9.710 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.615 -14.295 7.408 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.670 -12.787 8.299 1.00 0.00 H new ATOM 0 HE ARG A 51 12.898 -14.631 10.316 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.589 -14.224 7.245 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.083 -14.951 7.848 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.807 -15.567 11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.206 -15.707 10.000 1.00 0.00 H new ATOM 824 N ASN A 52 7.442 -16.194 8.289 1.00 0.00 N ATOM 825 CA ASN A 52 6.029 -15.847 8.409 1.00 0.00 C ATOM 826 C ASN A 52 5.815 -14.587 9.247 1.00 0.00 C ATOM 827 O ASN A 52 4.992 -13.732 8.901 1.00 0.00 O ATOM 828 CB ASN A 52 5.229 -17.022 9.004 1.00 0.00 C ATOM 829 CG ASN A 52 5.618 -17.368 10.439 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.775 -17.228 10.843 1.00 0.00 O ATOM 831 ND2 ASN A 52 4.653 -17.811 11.218 1.00 0.00 N ATOM 0 H ASN A 52 7.691 -17.081 8.726 1.00 0.00 H new ATOM 0 HA ASN A 52 5.665 -15.640 7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.167 -16.778 8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.372 -17.902 8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.851 -18.051 12.189 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.707 -17.914 10.850 1.00 0.00 H new ATOM 838 N ASP A 53 6.567 -14.458 10.328 1.00 0.00 N ATOM 839 CA ASP A 53 6.421 -13.327 11.219 1.00 0.00 C ATOM 840 C ASP A 53 7.387 -12.228 10.853 1.00 0.00 C ATOM 841 O ASP A 53 8.401 -12.000 11.519 1.00 0.00 O ATOM 842 CB ASP A 53 6.584 -13.734 12.688 1.00 0.00 C ATOM 843 CG ASP A 53 6.408 -12.560 13.633 1.00 0.00 C ATOM 844 OD1 ASP A 53 5.402 -11.824 13.501 1.00 0.00 O ATOM 845 OD2 ASP A 53 7.272 -12.366 14.515 1.00 0.00 O1- ATOM 0 H ASP A 53 7.285 -15.126 10.607 1.00 0.00 H new ATOM 0 HA ASP A 53 5.407 -12.946 11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.855 -14.507 12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.572 -14.171 12.834 1.00 0.00 H new ATOM 850 N TRP A 54 7.097 -11.600 9.752 1.00 0.00 N ATOM 851 CA TRP A 54 7.866 -10.483 9.272 1.00 0.00 C ATOM 852 C TRP A 54 6.995 -9.627 8.375 1.00 0.00 C ATOM 853 O TRP A 54 6.215 -10.152 7.584 1.00 0.00 O ATOM 854 CB TRP A 54 9.110 -10.968 8.522 1.00 0.00 C ATOM 855 CG TRP A 54 10.043 -9.863 8.136 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.494 -9.569 6.886 1.00 0.00 C ATOM 857 CD2 TRP A 54 10.633 -8.897 9.015 1.00 0.00 C ATOM 858 NE1 TRP A 54 11.335 -8.485 6.933 1.00 0.00 N ATOM 859 CE2 TRP A 54 11.433 -8.054 8.229 1.00 0.00 C ATOM 860 CE3 TRP A 54 10.561 -8.665 10.393 1.00 0.00 C ATOM 861 CZ2 TRP A 54 12.156 -6.997 8.771 1.00 0.00 C ATOM 862 CZ3 TRP A 54 11.278 -7.616 10.929 1.00 0.00 C ATOM 863 CH2 TRP A 54 12.065 -6.793 10.118 1.00 0.00 C ATOM 0 H TRP A 54 6.311 -11.850 9.152 1.00 0.00 H new ATOM 0 HA TRP A 54 8.202 -9.885 10.119 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.645 -11.683 9.147 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.798 -11.500 7.623 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.229 -10.109 5.989 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.810 -8.068 6.132 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.955 -9.296 11.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 12.768 -6.360 8.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 11.231 -7.427 11.991 1.00 0.00 H new ATOM 0 HH2 TRP A 54 12.613 -5.978 10.567 1.00 0.00 H new ATOM 874 N THR A 55 7.111 -8.321 8.510 1.00 0.00 N ATOM 875 CA THR A 55 6.300 -7.405 7.737 1.00 0.00 C ATOM 876 C THR A 55 6.829 -7.252 6.314 1.00 0.00 C ATOM 877 O THR A 55 8.043 -7.246 6.081 1.00 0.00 O ATOM 878 CB THR A 55 6.198 -6.015 8.417 1.00 0.00 C ATOM 879 OG1 THR A 55 5.533 -5.089 7.550 1.00 0.00 O ATOM 880 CG2 THR A 55 7.573 -5.481 8.779 1.00 0.00 C ATOM 0 H THR A 55 7.763 -7.870 9.152 1.00 0.00 H new ATOM 0 HA THR A 55 5.300 -7.837 7.689 1.00 0.00 H new ATOM 0 HB THR A 55 5.621 -6.131 9.334 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.088 -4.400 8.087 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.471 -4.505 9.254 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.061 -6.171 9.468 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.175 -5.383 7.875 1.00 0.00 H new ATOM 888 N VAL A 56 5.906 -7.126 5.371 1.00 0.00 N ATOM 889 CA VAL A 56 6.237 -6.971 3.970 1.00 0.00 C ATOM 890 C VAL A 56 6.887 -5.604 3.730 1.00 0.00 C ATOM 891 O VAL A 56 7.649 -5.415 2.773 1.00 0.00 O ATOM 892 CB VAL A 56 4.966 -7.130 3.083 1.00 0.00 C ATOM 893 CG1 VAL A 56 3.960 -6.019 3.340 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.321 -7.206 1.611 1.00 0.00 C ATOM 0 H VAL A 56 4.904 -7.129 5.562 1.00 0.00 H new ATOM 0 HA VAL A 56 6.946 -7.751 3.694 1.00 0.00 H new ATOM 0 HB VAL A 56 4.498 -8.073 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.087 -6.164 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.654 -6.040 4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.417 -5.055 3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.410 -7.317 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.837 -6.293 1.313 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.972 -8.063 1.437 1.00 0.00 H new ATOM 904 N GLN A 57 6.607 -4.667 4.638 1.00 0.00 N ATOM 905 CA GLN A 57 7.133 -3.318 4.548 1.00 0.00 C ATOM 906 C GLN A 57 8.643 -3.317 4.716 1.00 0.00 C ATOM 907 O GLN A 57 9.375 -2.866 3.836 1.00 0.00 O ATOM 908 CB GLN A 57 6.496 -2.432 5.616 1.00 0.00 C ATOM 909 CG GLN A 57 6.910 -0.970 5.536 1.00 0.00 C ATOM 910 CD GLN A 57 6.390 -0.152 6.702 1.00 0.00 C ATOM 911 OE1 GLN A 57 6.239 -0.653 7.816 1.00 0.00 O ATOM 912 NE2 GLN A 57 6.103 1.105 6.451 1.00 0.00 N ATOM 0 H GLN A 57 6.011 -4.828 5.450 1.00 0.00 H new ATOM 0 HA GLN A 57 6.891 -2.923 3.561 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.412 -2.497 5.528 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.760 -2.820 6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.998 -0.905 5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.541 -0.542 4.604 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.242 1.483 5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.741 1.703 7.193 1.00 0.00 H new ATOM 921 N ASN A 58 9.101 -3.854 5.841 1.00 0.00 N ATOM 922 CA ASN A 58 10.531 -3.891 6.162 1.00 0.00 C ATOM 923 C ASN A 58 11.253 -4.987 5.396 1.00 0.00 C ATOM 924 O ASN A 58 12.455 -5.184 5.558 1.00 0.00 O ATOM 925 CB ASN A 58 10.747 -4.072 7.664 1.00 0.00 C ATOM 926 CG ASN A 58 10.380 -2.840 8.459 1.00 0.00 C ATOM 927 OD1 ASN A 58 9.240 -2.684 8.894 1.00 0.00 O ATOM 928 ND2 ASN A 58 11.339 -1.960 8.656 1.00 0.00 N ATOM 0 H ASN A 58 8.502 -4.273 6.553 1.00 0.00 H new ATOM 0 HA ASN A 58 10.953 -2.934 5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.152 -4.916 8.013 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.792 -4.321 7.849 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.150 -1.110 9.187 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.271 -2.128 8.278 1.00 0.00 H new ATOM 935 N CYS A 59 10.516 -5.715 4.585 1.00 0.00 N ATOM 936 CA CYS A 59 11.104 -6.738 3.755 1.00 0.00 C ATOM 937 C CYS A 59 11.353 -6.159 2.353 1.00 0.00 C ATOM 938 O CYS A 59 12.050 -6.750 1.530 1.00 0.00 O ATOM 939 CB CYS A 59 10.193 -7.967 3.708 1.00 0.00 C ATOM 940 SG CYS A 59 10.982 -9.472 3.087 1.00 0.00 S ATOM 0 H CYS A 59 9.506 -5.615 4.484 1.00 0.00 H new ATOM 0 HA CYS A 59 12.058 -7.059 4.172 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.814 -8.160 4.712 1.00 0.00 H new ATOM 0 HB3 CYS A 59 9.331 -7.740 3.080 1.00 0.00 H new ATOM 0 HG CYS A 59 10.301 -10.510 3.473 1.00 0.00 H new ATOM 946 N ASP A 60 10.759 -4.982 2.117 1.00 0.00 N ATOM 947 CA ASP A 60 10.943 -4.191 0.886 1.00 0.00 C ATOM 948 C ASP A 60 10.684 -4.962 -0.405 1.00 0.00 C ATOM 949 O ASP A 60 11.462 -4.862 -1.355 1.00 0.00 O ATOM 950 CB ASP A 60 12.336 -3.552 0.846 1.00 0.00 C ATOM 951 CG ASP A 60 12.515 -2.478 1.893 1.00 0.00 C ATOM 952 OD1 ASP A 60 11.888 -1.408 1.766 1.00 0.00 O ATOM 953 OD2 ASP A 60 13.297 -2.694 2.843 1.00 0.00 O1- ATOM 0 H ASP A 60 10.126 -4.542 2.785 1.00 0.00 H new ATOM 0 HA ASP A 60 10.180 -3.414 0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.090 -4.325 0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.506 -3.123 -0.141 1.00 0.00 H new ATOM 958 N LEU A 61 9.569 -5.683 -0.470 1.00 0.00 N ATOM 959 CA LEU A 61 9.199 -6.397 -1.708 1.00 0.00 C ATOM 960 C LEU A 61 8.678 -5.403 -2.744 1.00 0.00 C ATOM 961 O LEU A 61 8.267 -5.772 -3.843 1.00 0.00 O ATOM 962 CB LEU A 61 8.136 -7.481 -1.450 1.00 0.00 C ATOM 963 CG LEU A 61 8.561 -8.670 -0.578 1.00 0.00 C ATOM 964 CD1 LEU A 61 9.903 -9.218 -1.022 1.00 0.00 C ATOM 965 CD2 LEU A 61 8.596 -8.289 0.877 1.00 0.00 C ATOM 0 H LEU A 61 8.910 -5.794 0.300 1.00 0.00 H new ATOM 0 HA LEU A 61 10.095 -6.891 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.273 -7.007 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.803 -7.867 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 61 7.816 -9.456 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.180 -10.060 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.835 -9.551 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.660 -8.438 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.900 -9.150 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.308 -7.477 1.023 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.605 -7.963 1.192 1.00 0.00 H new ATOM 977 N ASP A 62 8.689 -4.143 -2.360 1.00 0.00 N ATOM 978 CA ASP A 62 8.265 -3.049 -3.212 1.00 0.00 C ATOM 979 C ASP A 62 9.334 -2.741 -4.257 1.00 0.00 C ATOM 980 O ASP A 62 9.026 -2.373 -5.392 1.00 0.00 O ATOM 981 CB ASP A 62 8.000 -1.810 -2.344 1.00 0.00 C ATOM 982 CG ASP A 62 7.703 -0.560 -3.145 1.00 0.00 C ATOM 983 OD1 ASP A 62 6.557 -0.389 -3.578 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.612 0.269 -3.318 1.00 0.00 O1- ATOM 0 H ASP A 62 8.997 -3.845 -1.434 1.00 0.00 H new ATOM 0 HA ASP A 62 7.351 -3.332 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.159 -2.015 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.868 -1.628 -1.711 1.00 0.00 H new ATOM 989 N GLN A 63 10.595 -2.921 -3.872 1.00 0.00 N ATOM 990 CA GLN A 63 11.712 -2.613 -4.757 1.00 0.00 C ATOM 991 C GLN A 63 12.641 -3.808 -4.943 1.00 0.00 C ATOM 992 O GLN A 63 13.143 -4.042 -6.041 1.00 0.00 O ATOM 993 CB GLN A 63 12.499 -1.414 -4.222 1.00 0.00 C ATOM 994 CG GLN A 63 11.679 -0.138 -4.134 1.00 0.00 C ATOM 995 CD GLN A 63 11.233 0.370 -5.493 1.00 0.00 C ATOM 996 OE1 GLN A 63 11.938 0.218 -6.493 1.00 0.00 O ATOM 997 NE2 GLN A 63 10.054 0.945 -5.547 1.00 0.00 N ATOM 0 H GLN A 63 10.867 -3.277 -2.956 1.00 0.00 H new ATOM 0 HA GLN A 63 11.294 -2.366 -5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.886 -1.656 -3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.360 -1.239 -4.867 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.802 -0.318 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.268 0.634 -3.638 1.00 0.00 H new ATOM 0 HE21 GLN A 63 9.500 1.053 -4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 63 9.692 1.284 -6.438 1.00 0.00 H new ATOM 1006 N GLN A 64 12.857 -4.564 -3.878 1.00 0.00 N ATOM 1007 CA GLN A 64 13.767 -5.700 -3.929 1.00 0.00 C ATOM 1008 C GLN A 64 13.136 -6.902 -4.615 1.00 0.00 C ATOM 1009 O GLN A 64 12.380 -7.645 -3.997 1.00 0.00 O ATOM 1010 CB GLN A 64 14.237 -6.085 -2.523 1.00 0.00 C ATOM 1011 CG GLN A 64 15.158 -5.063 -1.877 1.00 0.00 C ATOM 1012 CD GLN A 64 16.478 -4.925 -2.611 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.616 -4.111 -3.521 1.00 0.00 O ATOM 1014 NE2 GLN A 64 17.454 -5.725 -2.225 1.00 0.00 N ATOM 0 H GLN A 64 12.417 -4.413 -2.970 1.00 0.00 H new ATOM 0 HA GLN A 64 14.630 -5.392 -4.520 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.364 -6.226 -1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.754 -7.044 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.658 -4.095 -1.849 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.349 -5.353 -0.844 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.300 -6.388 -1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.362 -5.681 -2.687 1.00 0.00 H new ATOM 1037 N ILE A 66 11.049 -9.622 -6.938 1.00 0.00 N ATOM 1038 CA ILE A 66 9.660 -9.988 -6.905 1.00 0.00 C ATOM 1039 C ILE A 66 9.520 -11.309 -6.145 1.00 0.00 C ATOM 1040 O ILE A 66 10.425 -12.145 -6.180 1.00 0.00 O ATOM 1041 CB ILE A 66 9.088 -10.113 -8.351 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.576 -10.279 -8.334 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.734 -11.269 -9.095 1.00 0.00 C ATOM 1044 CD1 ILE A 66 6.939 -10.181 -9.705 1.00 0.00 C ATOM 0 HA ILE A 66 9.088 -9.213 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 66 9.325 -9.188 -8.876 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.330 -11.247 -7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.143 -9.517 -7.686 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.317 -11.333 -10.100 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.810 -11.105 -9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.539 -12.199 -8.561 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.860 -10.309 -9.615 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.154 -9.204 -10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.344 -10.960 -10.351 1.00 0.00 H new ATOM 1056 N VAL A 67 8.417 -11.486 -5.446 1.00 0.00 N ATOM 1057 CA VAL A 67 8.213 -12.699 -4.660 1.00 0.00 C ATOM 1058 C VAL A 67 7.723 -13.838 -5.544 1.00 0.00 C ATOM 1059 O VAL A 67 6.791 -13.669 -6.313 1.00 0.00 O ATOM 1060 CB VAL A 67 7.191 -12.472 -3.523 1.00 0.00 C ATOM 1061 CG1 VAL A 67 7.106 -13.692 -2.615 1.00 0.00 C ATOM 1062 CG2 VAL A 67 7.545 -11.234 -2.722 1.00 0.00 C ATOM 0 H VAL A 67 7.650 -10.815 -5.402 1.00 0.00 H new ATOM 0 HA VAL A 67 9.176 -12.962 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 67 6.212 -12.319 -3.977 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.380 -13.506 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.794 -14.558 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.083 -13.885 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.813 -11.093 -1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.536 -11.355 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.541 -10.363 -3.377 1.00 0.00 H new ATOM 1072 N HIS A 68 8.360 -14.988 -5.434 1.00 0.00 N ATOM 1073 CA HIS A 68 7.965 -16.159 -6.203 1.00 0.00 C ATOM 1074 C HIS A 68 7.155 -17.096 -5.326 1.00 0.00 C ATOM 1075 O HIS A 68 7.693 -17.727 -4.422 1.00 0.00 O ATOM 1076 CB HIS A 68 9.195 -16.903 -6.744 1.00 0.00 C ATOM 1077 CG HIS A 68 9.961 -16.173 -7.815 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.542 -16.852 -8.860 1.00 0.00 N ATOM 1079 CD2 HIS A 68 10.240 -14.852 -7.939 1.00 0.00 C ATOM 1080 CE1 HIS A 68 11.162 -15.935 -9.589 1.00 0.00 C ATOM 1081 NE2 HIS A 68 11.004 -14.715 -9.070 1.00 0.00 N ATOM 0 H HIS A 68 9.158 -15.140 -4.817 1.00 0.00 H new ATOM 0 HA HIS A 68 7.362 -15.826 -7.048 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.870 -17.110 -5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.873 -17.866 -7.141 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.922 -14.061 -7.276 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.723 -16.147 -10.487 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.381 -13.844 -9.444 1.00 0.00 H new ATOM 1089 N ILE A 69 5.871 -17.176 -5.575 1.00 0.00 N ATOM 1090 CA ILE A 69 5.016 -18.028 -4.781 1.00 0.00 C ATOM 1091 C ILE A 69 4.508 -19.211 -5.597 1.00 0.00 C ATOM 1092 O ILE A 69 3.820 -19.041 -6.607 1.00 0.00 O ATOM 1093 CB ILE A 69 3.823 -17.242 -4.202 1.00 0.00 C ATOM 1094 CG1 ILE A 69 4.321 -16.085 -3.331 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.926 -18.159 -3.402 1.00 0.00 C ATOM 1096 CD1 ILE A 69 3.218 -15.349 -2.600 1.00 0.00 C ATOM 0 H ILE A 69 5.395 -16.664 -6.318 1.00 0.00 H new ATOM 0 HA ILE A 69 5.617 -18.405 -3.954 1.00 0.00 H new ATOM 0 HB ILE A 69 3.244 -16.829 -5.028 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.032 -16.472 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.863 -15.377 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.089 -17.589 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.548 -18.952 -4.047 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.493 -18.598 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.650 -14.544 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.519 -14.930 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.690 -16.042 -1.945 1.00 0.00 H new ATOM 1108 N VAL A 70 4.845 -20.407 -5.158 1.00 0.00 N ATOM 1109 CA VAL A 70 4.429 -21.613 -5.844 1.00 0.00 C ATOM 1110 C VAL A 70 3.587 -22.491 -4.929 1.00 0.00 C ATOM 1111 O VAL A 70 3.781 -22.507 -3.714 1.00 0.00 O ATOM 1112 CB VAL A 70 5.639 -22.425 -6.381 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.389 -21.631 -7.443 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.582 -22.819 -5.247 1.00 0.00 C ATOM 0 H VAL A 70 5.409 -20.570 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 70 3.828 -21.300 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 70 5.255 -23.338 -6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.233 -22.217 -7.807 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.718 -21.408 -8.272 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.753 -20.699 -7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.420 -23.386 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.955 -21.921 -4.756 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.045 -23.432 -4.523 1.00 0.00 H new ATOM 1124 N GLN A 71 2.644 -23.208 -5.509 1.00 0.00 N ATOM 1125 CA GLN A 71 1.775 -24.078 -4.741 1.00 0.00 C ATOM 1126 C GLN A 71 2.312 -25.497 -4.748 1.00 0.00 C ATOM 1127 O GLN A 71 2.784 -25.987 -5.775 1.00 0.00 O ATOM 1128 CB GLN A 71 0.362 -24.069 -5.326 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.682 -24.723 -4.429 1.00 0.00 C ATOM 1130 CD GLN A 71 -1.975 -25.025 -5.158 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.322 -24.365 -6.141 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -2.709 -26.012 -4.676 1.00 0.00 N ATOM 0 H GLN A 71 2.460 -23.205 -6.512 1.00 0.00 H new ATOM 0 HA GLN A 71 1.742 -23.710 -3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.066 -23.038 -5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.374 -24.583 -6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.276 -25.648 -4.021 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.891 -24.067 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.388 -26.535 -3.861 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.596 -26.251 -5.119 1.00 0.00 H new