USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 695 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 143 CYS SG : rot 4:sc= -2.01! USER MOD Set 1.2: B 473 CYS SG : rot 71:sc= 0.64 USER MOD Set 2.1: A 116 ASN : amide:sc= -0.055 K(o=-1.6,f=-2.8!) USER MOD Set 2.2: A 119 GLN : amide:sc= -1.53! C(o=-1.6!,f=-4.2!) USER MOD Set 3.1: A 90 GLN : amide:sc= 0 X(o=0.25,f=-0.19) USER MOD Set 3.2: A 91 ASN : amide:sc= 0.249 K(o=0.25,f=-6.4!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -0.185 X(o=-0.19,f=-0.11) USER MOD Single : A 98 SER OG : rot -170:sc= 0.0617 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 109 HIS : no HD1:sc= 0.678 K(o=0.68,f=-5.4!) USER MOD Single : A 112 GLN : amide:sc= -2.28! K(o=-2.3!,f=-0.037) USER MOD Single : A 114 MET CE :methyl 144:sc= -0.182 (180deg=-0.843) USER MOD Single : A 123 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0496) USER MOD Single : A 125 LYS NZ :NH3+ 151:sc= 1.21 (180deg=1.04) USER MOD Single : A 127 MET CE :methyl 175:sc= -0.256 (180deg=-0.297) USER MOD Single : A 130 TYR OH : rot 15:sc= -0.0343 USER MOD Single : A 131 MET CE :methyl 149:sc= -1.67! (180deg=-3.81!) USER MOD Single : A 132 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 142 CYS SG : rot 84:sc= 0.297 USER MOD Single : B 465 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-1) USER MOD Single : B 468 ASN : amide:sc= -2.83! C(o=-2.8!,f=-3.8!) USER MOD Single : B 472 GLN : amide:sc= -2.8! K(o=-2.8!,f=-1.3) USER MOD Single : B 476 TYR OH : rot 109:sc= 0.223 USER MOD Single : B 479 LYS NZ :NH3+ -167:sc= -0.0204 (180deg=-0.191) USER MOD Single : B 480 LYS NZ :NH3+ -171:sc=-0.00137 (180deg=-0.086) USER MOD ----------------------------------------------------------------- ATOM 70 N ARG A 86 -1.417 -11.962 -0.400 1.00 0.00 N ATOM 71 CA ARG A 86 -0.740 -11.093 -1.343 1.00 0.00 C ATOM 72 C ARG A 86 -1.714 -10.702 -2.442 1.00 0.00 C ATOM 73 O ARG A 86 -2.587 -11.486 -2.817 1.00 0.00 O ATOM 74 CB ARG A 86 0.487 -11.784 -1.944 1.00 0.00 C ATOM 75 CG ARG A 86 1.290 -12.592 -0.935 1.00 0.00 C ATOM 76 CD ARG A 86 1.755 -11.748 0.242 1.00 0.00 C ATOM 77 NE ARG A 86 2.258 -12.584 1.331 1.00 0.00 N ATOM 78 CZ ARG A 86 2.283 -12.220 2.612 1.00 0.00 C ATOM 79 NH1 ARG A 86 1.912 -10.998 2.970 1.00 0.00 N ATOM 80 NH2 ARG A 86 2.700 -13.078 3.533 1.00 0.00 N ATOM 0 HA ARG A 86 -0.395 -10.201 -0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.163 -12.444 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.135 -11.030 -2.391 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.682 -13.419 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.157 -13.029 -1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.538 -11.064 -0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.928 -11.136 0.603 1.00 0.00 H new ATOM 0 HE ARG A 86 2.614 -13.510 1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.605 -10.330 2.263 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.934 -10.726 3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.000 -14.014 3.260 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.720 -12.802 4.515 1.00 0.00 H new ATOM 94 N VAL A 87 -1.569 -9.495 -2.952 1.00 0.00 N ATOM 95 CA VAL A 87 -2.497 -8.981 -3.943 1.00 0.00 C ATOM 96 C VAL A 87 -1.924 -9.141 -5.343 1.00 0.00 C ATOM 97 O VAL A 87 -0.787 -8.749 -5.609 1.00 0.00 O ATOM 98 CB VAL A 87 -2.838 -7.499 -3.689 1.00 0.00 C ATOM 99 CG1 VAL A 87 -3.878 -7.014 -4.684 1.00 0.00 C ATOM 100 CG2 VAL A 87 -3.325 -7.296 -2.265 1.00 0.00 C ATOM 0 H VAL A 87 -0.819 -8.852 -2.698 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.416 -9.561 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.930 -6.911 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.107 -5.966 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.489 -7.119 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -4.786 -7.609 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.560 -6.243 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.219 -7.896 -2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.546 -7.602 -1.567 1.00 0.00 H new ATOM 110 N SER A 88 -2.718 -9.730 -6.224 1.00 0.00 N ATOM 111 CA SER A 88 -2.316 -9.956 -7.601 1.00 0.00 C ATOM 112 C SER A 88 -2.211 -8.630 -8.353 1.00 0.00 C ATOM 113 O SER A 88 -2.929 -7.672 -8.055 1.00 0.00 O ATOM 114 CB SER A 88 -3.325 -10.883 -8.279 1.00 0.00 C ATOM 115 OG SER A 88 -3.423 -12.115 -7.583 1.00 0.00 O ATOM 0 H SER A 88 -3.656 -10.063 -6.004 1.00 0.00 H new ATOM 0 HA SER A 88 -1.334 -10.428 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.302 -10.401 -8.314 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.022 -11.066 -9.310 1.00 0.00 H new ATOM 0 HG SER A 88 -4.075 -12.693 -8.032 1.00 0.00 H new ATOM 121 N LEU A 89 -1.315 -8.600 -9.336 1.00 0.00 N ATOM 122 CA LEU A 89 -0.989 -7.385 -10.070 1.00 0.00 C ATOM 123 C LEU A 89 -2.210 -6.823 -10.782 1.00 0.00 C ATOM 124 O LEU A 89 -2.355 -5.609 -10.895 1.00 0.00 O ATOM 125 CB LEU A 89 0.124 -7.664 -11.088 1.00 0.00 C ATOM 126 CG LEU A 89 1.323 -6.705 -11.048 1.00 0.00 C ATOM 127 CD1 LEU A 89 0.884 -5.265 -11.259 1.00 0.00 C ATOM 128 CD2 LEU A 89 2.080 -6.846 -9.735 1.00 0.00 C ATOM 0 H LEU A 89 -0.794 -9.421 -9.645 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.644 -6.643 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.489 -8.679 -10.930 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.308 -7.633 -12.088 1.00 0.00 H new ATOM 0 HG LEU A 89 1.993 -6.974 -11.865 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.755 -4.610 -11.225 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.397 -5.172 -12.230 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.185 -4.979 -10.473 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.926 -6.158 -9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.414 -6.612 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 89 2.443 -7.869 -9.632 1.00 0.00 H new ATOM 140 N GLN A 90 -3.089 -7.702 -11.255 1.00 0.00 N ATOM 141 CA GLN A 90 -4.310 -7.264 -11.921 1.00 0.00 C ATOM 142 C GLN A 90 -5.154 -6.419 -10.975 1.00 0.00 C ATOM 143 O GLN A 90 -5.716 -5.406 -11.375 1.00 0.00 O ATOM 144 CB GLN A 90 -5.128 -8.456 -12.428 1.00 0.00 C ATOM 145 CG GLN A 90 -5.650 -9.366 -11.326 1.00 0.00 C ATOM 146 CD GLN A 90 -6.499 -10.503 -11.853 1.00 0.00 C ATOM 147 OE1 GLN A 90 -6.274 -11.007 -12.953 1.00 0.00 O ATOM 148 NE2 GLN A 90 -7.487 -10.907 -11.073 1.00 0.00 N ATOM 0 H GLN A 90 -2.980 -8.714 -11.190 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.021 -6.660 -12.781 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.973 -8.083 -13.007 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.511 -9.044 -13.108 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.807 -9.776 -10.771 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.238 -8.776 -10.623 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.638 -10.461 -10.168 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.099 -11.665 -11.376 1.00 0.00 H new ATOM 157 N ASN A 91 -5.207 -6.831 -9.712 1.00 0.00 N ATOM 158 CA ASN A 91 -5.968 -6.112 -8.700 1.00 0.00 C ATOM 159 C ASN A 91 -5.318 -4.770 -8.414 1.00 0.00 C ATOM 160 O ASN A 91 -6.002 -3.763 -8.246 1.00 0.00 O ATOM 161 CB ASN A 91 -6.062 -6.921 -7.400 1.00 0.00 C ATOM 162 CG ASN A 91 -6.984 -8.121 -7.495 1.00 0.00 C ATOM 163 OD1 ASN A 91 -7.119 -8.745 -8.548 1.00 0.00 O ATOM 164 ND2 ASN A 91 -7.624 -8.462 -6.388 1.00 0.00 N ATOM 0 H ASN A 91 -4.729 -7.663 -9.366 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.975 -5.957 -9.086 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.065 -7.261 -7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -6.411 -6.268 -6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.253 -9.265 -6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.488 -7.922 -5.533 1.00 0.00 H new ATOM 171 N LEU A 92 -3.992 -4.765 -8.393 1.00 0.00 N ATOM 172 CA LEU A 92 -3.230 -3.564 -8.084 1.00 0.00 C ATOM 173 C LEU A 92 -3.351 -2.539 -9.205 1.00 0.00 C ATOM 174 O LEU A 92 -3.401 -1.340 -8.958 1.00 0.00 O ATOM 175 CB LEU A 92 -1.759 -3.916 -7.845 1.00 0.00 C ATOM 176 CG LEU A 92 -1.507 -4.851 -6.666 1.00 0.00 C ATOM 177 CD1 LEU A 92 -0.037 -5.232 -6.596 1.00 0.00 C ATOM 178 CD2 LEU A 92 -1.949 -4.190 -5.370 1.00 0.00 C ATOM 0 H LEU A 92 -3.419 -5.586 -8.588 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.641 -3.125 -7.175 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.359 -4.377 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.201 -2.994 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.090 -5.761 -6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.126 -5.899 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.252 -5.737 -7.517 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.566 -4.333 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.765 -4.866 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.386 -3.268 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.013 -3.961 -5.423 1.00 0.00 H new ATOM 190 N LYS A 93 -3.422 -3.024 -10.436 1.00 0.00 N ATOM 191 CA LYS A 93 -3.486 -2.150 -11.605 1.00 0.00 C ATOM 192 C LYS A 93 -4.698 -1.214 -11.582 1.00 0.00 C ATOM 193 O LYS A 93 -4.626 -0.096 -12.095 1.00 0.00 O ATOM 194 CB LYS A 93 -3.500 -2.980 -12.883 1.00 0.00 C ATOM 195 CG LYS A 93 -2.158 -3.599 -13.227 1.00 0.00 C ATOM 196 CD LYS A 93 -2.242 -4.398 -14.512 1.00 0.00 C ATOM 197 CE LYS A 93 -0.900 -4.997 -14.892 1.00 0.00 C ATOM 198 NZ LYS A 93 -0.968 -5.719 -16.189 1.00 0.00 N ATOM 0 H LYS A 93 -3.437 -4.020 -10.655 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.594 -1.524 -11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.240 -3.774 -12.781 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -3.821 -2.349 -13.711 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.408 -2.815 -13.330 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.833 -4.246 -12.413 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.976 -5.195 -14.397 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.594 -3.754 -15.318 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.153 -4.206 -14.955 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.573 -5.683 -14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.033 -6.114 -16.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.663 -6.490 -16.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.256 -5.059 -16.939 1.00 0.00 H new ATOM 212 N ASN A 94 -5.802 -1.656 -10.981 1.00 0.00 N ATOM 213 CA ASN A 94 -7.028 -0.852 -10.957 1.00 0.00 C ATOM 214 C ASN A 94 -6.857 0.384 -10.086 1.00 0.00 C ATOM 215 O ASN A 94 -7.615 1.341 -10.207 1.00 0.00 O ATOM 216 CB ASN A 94 -8.226 -1.643 -10.423 1.00 0.00 C ATOM 217 CG ASN A 94 -8.383 -3.007 -11.044 1.00 0.00 C ATOM 218 OD1 ASN A 94 -9.012 -3.166 -12.089 1.00 0.00 O ATOM 219 ND2 ASN A 94 -7.838 -4.005 -10.379 1.00 0.00 N ATOM 0 H ASN A 94 -5.875 -2.557 -10.508 1.00 0.00 H new ATOM 0 HA ASN A 94 -7.218 -0.563 -11.991 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.123 -1.756 -9.344 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.135 -1.068 -10.598 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.929 -4.960 -10.727 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.325 -3.823 -9.516 1.00 0.00 H new ATOM 226 N LEU A 95 -5.870 0.361 -9.201 1.00 0.00 N ATOM 227 CA LEU A 95 -5.636 1.476 -8.295 1.00 0.00 C ATOM 228 C LEU A 95 -5.248 2.724 -9.071 1.00 0.00 C ATOM 229 O LEU A 95 -5.680 3.830 -8.748 1.00 0.00 O ATOM 230 CB LEU A 95 -4.550 1.122 -7.281 1.00 0.00 C ATOM 231 CG LEU A 95 -4.979 0.180 -6.149 1.00 0.00 C ATOM 232 CD1 LEU A 95 -5.471 -1.150 -6.677 1.00 0.00 C ATOM 233 CD2 LEU A 95 -3.822 -0.037 -5.202 1.00 0.00 C ATOM 0 H LEU A 95 -5.219 -0.417 -9.091 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.561 1.679 -7.756 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.717 0.664 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.177 2.046 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.808 0.650 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.765 -1.787 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.329 -0.988 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.674 -1.635 -7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.130 -0.707 -4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.987 -0.480 -5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.514 0.919 -4.779 1.00 0.00 H new ATOM 245 N GLY A 96 -4.444 2.536 -10.109 1.00 0.00 N ATOM 246 CA GLY A 96 -4.084 3.639 -10.976 1.00 0.00 C ATOM 247 C GLY A 96 -5.247 4.063 -11.852 1.00 0.00 C ATOM 248 O GLY A 96 -5.266 5.176 -12.376 1.00 0.00 O ATOM 0 H GLY A 96 -4.035 1.638 -10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -3.755 4.485 -10.372 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.242 3.349 -11.604 1.00 0.00 H new ATOM 252 N GLU A 97 -6.223 3.171 -11.994 1.00 0.00 N ATOM 253 CA GLU A 97 -7.403 3.439 -12.804 1.00 0.00 C ATOM 254 C GLU A 97 -8.436 4.214 -11.996 1.00 0.00 C ATOM 255 O GLU A 97 -9.271 4.929 -12.552 1.00 0.00 O ATOM 256 CB GLU A 97 -8.030 2.129 -13.291 1.00 0.00 C ATOM 257 CG GLU A 97 -7.051 1.186 -13.968 1.00 0.00 C ATOM 258 CD GLU A 97 -7.738 -0.002 -14.608 1.00 0.00 C ATOM 259 OE1 GLU A 97 -8.589 0.208 -15.498 1.00 0.00 O ATOM 260 OE2 GLU A 97 -7.418 -1.150 -14.243 1.00 0.00 O ATOM 0 H GLU A 97 -6.218 2.251 -11.554 1.00 0.00 H new ATOM 0 HA GLU A 97 -7.093 4.033 -13.664 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.482 1.617 -12.441 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.835 2.361 -13.988 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.493 1.732 -14.729 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.327 0.831 -13.234 1.00 0.00 H new ATOM 267 N SER A 98 -8.362 4.070 -10.681 1.00 0.00 N ATOM 268 CA SER A 98 -9.310 4.702 -9.783 1.00 0.00 C ATOM 269 C SER A 98 -8.992 6.179 -9.616 1.00 0.00 C ATOM 270 O SER A 98 -7.974 6.542 -9.023 1.00 0.00 O ATOM 271 CB SER A 98 -9.291 4.004 -8.419 1.00 0.00 C ATOM 272 OG SER A 98 -10.205 4.609 -7.516 1.00 0.00 O ATOM 0 H SER A 98 -7.647 3.515 -10.211 1.00 0.00 H new ATOM 0 HA SER A 98 -10.306 4.610 -10.217 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.543 2.951 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.285 4.044 -8.002 1.00 0.00 H new ATOM 0 HG SER A 98 -10.060 4.251 -6.615 1.00 0.00 H new ATOM 278 N ALA A 99 -9.869 7.027 -10.138 1.00 0.00 N ATOM 279 CA ALA A 99 -9.708 8.465 -10.014 1.00 0.00 C ATOM 280 C ALA A 99 -9.966 8.904 -8.579 1.00 0.00 C ATOM 281 O ALA A 99 -9.519 9.970 -8.152 1.00 0.00 O ATOM 282 CB ALA A 99 -10.640 9.188 -10.974 1.00 0.00 C ATOM 0 H ALA A 99 -10.701 6.740 -10.653 1.00 0.00 H new ATOM 0 HA ALA A 99 -8.682 8.725 -10.273 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.507 10.265 -10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.409 8.892 -11.997 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.673 8.926 -10.745 1.00 0.00 H new ATOM 288 N THR A 100 -10.685 8.071 -7.840 1.00 0.00 N ATOM 289 CA THR A 100 -10.967 8.339 -6.442 1.00 0.00 C ATOM 290 C THR A 100 -9.713 8.169 -5.590 1.00 0.00 C ATOM 291 O THR A 100 -9.386 9.028 -4.771 1.00 0.00 O ATOM 292 CB THR A 100 -12.065 7.401 -5.909 1.00 0.00 C ATOM 293 OG1 THR A 100 -13.241 7.519 -6.720 1.00 0.00 O ATOM 294 CG2 THR A 100 -12.398 7.728 -4.459 1.00 0.00 C ATOM 0 H THR A 100 -11.084 7.200 -8.190 1.00 0.00 H new ATOM 0 HA THR A 100 -11.312 9.371 -6.375 1.00 0.00 H new ATOM 0 HB THR A 100 -11.697 6.376 -5.954 1.00 0.00 H new ATOM 0 HG1 THR A 100 -13.936 6.919 -6.378 1.00 0.00 H new ATOM 0 HG21 THR A 100 -13.176 7.053 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 100 -11.505 7.609 -3.845 1.00 0.00 H new ATOM 0 HG23 THR A 100 -12.751 8.757 -4.390 1.00 0.00 H new ATOM 302 N LEU A 101 -8.998 7.070 -5.807 1.00 0.00 N ATOM 303 CA LEU A 101 -7.835 6.756 -4.993 1.00 0.00 C ATOM 304 C LEU A 101 -6.709 7.743 -5.250 1.00 0.00 C ATOM 305 O LEU A 101 -6.166 8.326 -4.318 1.00 0.00 O ATOM 306 CB LEU A 101 -7.349 5.330 -5.252 1.00 0.00 C ATOM 307 CG LEU A 101 -6.077 4.940 -4.491 1.00 0.00 C ATOM 308 CD1 LEU A 101 -6.289 5.062 -2.991 1.00 0.00 C ATOM 309 CD2 LEU A 101 -5.647 3.531 -4.855 1.00 0.00 C ATOM 0 H LEU A 101 -9.204 6.387 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.136 6.834 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.145 4.635 -4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.168 5.210 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.283 5.628 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -5.374 4.780 -2.470 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -6.546 6.092 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.100 4.401 -2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.742 3.273 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.441 2.830 -4.597 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.448 3.476 -5.925 1.00 0.00 H new ATOM 321 N ARG A 102 -6.373 7.942 -6.519 1.00 0.00 N ATOM 322 CA ARG A 102 -5.284 8.840 -6.884 1.00 0.00 C ATOM 323 C ARG A 102 -5.542 10.262 -6.403 1.00 0.00 C ATOM 324 O ARG A 102 -4.602 10.999 -6.121 1.00 0.00 O ATOM 325 CB ARG A 102 -5.055 8.837 -8.390 1.00 0.00 C ATOM 326 CG ARG A 102 -6.319 9.032 -9.197 1.00 0.00 C ATOM 327 CD ARG A 102 -6.004 9.430 -10.624 1.00 0.00 C ATOM 328 NE ARG A 102 -5.047 8.523 -11.254 1.00 0.00 N ATOM 329 CZ ARG A 102 -4.633 8.640 -12.515 1.00 0.00 C ATOM 330 NH1 ARG A 102 -5.097 9.618 -13.278 1.00 0.00 N ATOM 331 NH2 ARG A 102 -3.756 7.778 -13.011 1.00 0.00 N ATOM 0 H ARG A 102 -6.837 7.495 -7.310 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.386 8.470 -6.389 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.348 9.627 -8.643 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.593 7.892 -8.677 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.901 8.110 -9.194 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -6.936 9.800 -8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.925 9.445 -11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -5.603 10.443 -10.636 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.674 7.755 -10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.772 10.283 -12.900 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -4.779 9.706 -14.243 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.397 7.023 -12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.441 7.870 -13.977 1.00 0.00 H new ATOM 345 N SER A 103 -6.816 10.634 -6.284 1.00 0.00 N ATOM 346 CA SER A 103 -7.185 11.959 -5.799 1.00 0.00 C ATOM 347 C SER A 103 -6.690 12.159 -4.364 1.00 0.00 C ATOM 348 O SER A 103 -6.482 13.287 -3.914 1.00 0.00 O ATOM 349 CB SER A 103 -8.704 12.135 -5.868 1.00 0.00 C ATOM 350 OG SER A 103 -9.095 13.441 -5.477 1.00 0.00 O ATOM 0 H SER A 103 -7.608 10.035 -6.517 1.00 0.00 H new ATOM 0 HA SER A 103 -6.714 12.710 -6.433 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.048 11.940 -6.884 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.186 11.401 -5.222 1.00 0.00 H new ATOM 0 HG SER A 103 -10.070 13.521 -5.534 1.00 0.00 H new ATOM 356 N LEU A 104 -6.486 11.056 -3.655 1.00 0.00 N ATOM 357 CA LEU A 104 -6.005 11.109 -2.283 1.00 0.00 C ATOM 358 C LEU A 104 -4.487 11.265 -2.267 1.00 0.00 C ATOM 359 O LEU A 104 -3.911 11.790 -1.316 1.00 0.00 O ATOM 360 CB LEU A 104 -6.411 9.841 -1.529 1.00 0.00 C ATOM 361 CG LEU A 104 -7.877 9.428 -1.688 1.00 0.00 C ATOM 362 CD1 LEU A 104 -8.193 8.227 -0.815 1.00 0.00 C ATOM 363 CD2 LEU A 104 -8.806 10.587 -1.364 1.00 0.00 C ATOM 0 H LEU A 104 -6.647 10.113 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 104 -6.455 11.969 -1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.780 9.019 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.204 9.986 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.038 9.147 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.239 7.950 -0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.558 7.390 -1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.009 8.478 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.841 10.268 -1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.642 10.908 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.601 11.417 -2.040 1.00 0.00 H new ATOM 375 N LEU A 105 -3.847 10.824 -3.345 1.00 0.00 N ATOM 376 CA LEU A 105 -2.395 10.921 -3.478 1.00 0.00 C ATOM 377 C LEU A 105 -1.982 12.355 -3.801 1.00 0.00 C ATOM 378 O LEU A 105 -0.796 12.691 -3.807 1.00 0.00 O ATOM 379 CB LEU A 105 -1.879 9.965 -4.560 1.00 0.00 C ATOM 380 CG LEU A 105 -1.760 8.487 -4.154 1.00 0.00 C ATOM 381 CD1 LEU A 105 -3.112 7.876 -3.837 1.00 0.00 C ATOM 382 CD2 LEU A 105 -1.072 7.700 -5.255 1.00 0.00 C ATOM 0 H LEU A 105 -4.313 10.394 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.949 10.634 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.543 10.032 -5.422 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.898 10.312 -4.885 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.160 8.440 -3.245 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.982 6.831 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.573 8.420 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.754 7.937 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.992 6.654 -4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.655 7.774 -6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.075 8.107 -5.424 1.00 0.00 H new ATOM 394 N LEU A 106 -2.975 13.196 -4.079 1.00 0.00 N ATOM 395 CA LEU A 106 -2.750 14.627 -4.248 1.00 0.00 C ATOM 396 C LEU A 106 -2.340 15.248 -2.918 1.00 0.00 C ATOM 397 O LEU A 106 -1.708 16.304 -2.880 1.00 0.00 O ATOM 398 CB LEU A 106 -4.015 15.318 -4.776 1.00 0.00 C ATOM 399 CG LEU A 106 -4.210 15.311 -6.300 1.00 0.00 C ATOM 400 CD1 LEU A 106 -3.156 16.169 -6.975 1.00 0.00 C ATOM 401 CD2 LEU A 106 -4.169 13.900 -6.860 1.00 0.00 C ATOM 0 H LEU A 106 -3.947 12.908 -4.192 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.950 14.766 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.882 14.841 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.005 16.354 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.195 15.728 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.310 16.152 -8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -3.235 17.194 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.165 15.778 -6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.310 13.933 -7.940 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.204 13.447 -6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.963 13.306 -6.408 1.00 0.00 H new ATOM 413 N ASN A 107 -2.707 14.576 -1.831 1.00 0.00 N ATOM 414 CA ASN A 107 -2.336 15.009 -0.491 1.00 0.00 C ATOM 415 C ASN A 107 -0.845 14.783 -0.268 1.00 0.00 C ATOM 416 O ASN A 107 -0.384 13.639 -0.234 1.00 0.00 O ATOM 417 CB ASN A 107 -3.145 14.236 0.561 1.00 0.00 C ATOM 418 CG ASN A 107 -4.637 14.503 0.480 1.00 0.00 C ATOM 419 OD1 ASN A 107 -5.071 15.598 0.125 1.00 0.00 O ATOM 420 ND2 ASN A 107 -5.437 13.500 0.803 1.00 0.00 N ATOM 0 H ASN A 107 -3.266 13.723 -1.855 1.00 0.00 H new ATOM 0 HA ASN A 107 -2.556 16.072 -0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.966 13.168 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.787 14.505 1.555 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.449 13.621 0.762 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.042 12.606 1.093 1.00 0.00 H new ATOM 427 N PRO A 108 -0.067 15.869 -0.111 1.00 0.00 N ATOM 428 CA PRO A 108 1.393 15.793 0.016 1.00 0.00 C ATOM 429 C PRO A 108 1.840 15.002 1.239 1.00 0.00 C ATOM 430 O PRO A 108 2.946 14.466 1.269 1.00 0.00 O ATOM 431 CB PRO A 108 1.832 17.257 0.131 1.00 0.00 C ATOM 432 CG PRO A 108 0.612 17.996 0.557 1.00 0.00 C ATOM 433 CD PRO A 108 -0.547 17.261 -0.050 1.00 0.00 C ATOM 0 HA PRO A 108 1.837 15.271 -0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.636 17.371 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.207 17.632 -0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 108 0.531 18.023 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.642 19.030 0.214 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -1.445 17.351 0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.794 17.646 -1.039 1.00 0.00 H new ATOM 441 N HIS A 109 0.984 14.927 2.241 1.00 0.00 N ATOM 442 CA HIS A 109 1.288 14.150 3.429 1.00 0.00 C ATOM 443 C HIS A 109 1.063 12.664 3.164 1.00 0.00 C ATOM 444 O HIS A 109 1.873 11.824 3.555 1.00 0.00 O ATOM 445 CB HIS A 109 0.431 14.617 4.609 1.00 0.00 C ATOM 446 CG HIS A 109 0.633 13.809 5.851 1.00 0.00 C ATOM 447 ND1 HIS A 109 1.522 14.191 6.824 1.00 0.00 N ATOM 448 CD2 HIS A 109 0.046 12.648 6.216 1.00 0.00 C ATOM 449 CE1 HIS A 109 1.456 13.254 7.754 1.00 0.00 C ATOM 450 NE2 HIS A 109 0.576 12.302 7.429 1.00 0.00 N ATOM 0 H HIS A 109 0.076 15.392 2.257 1.00 0.00 H new ATOM 0 HA HIS A 109 2.337 14.303 3.682 1.00 0.00 H new ATOM 0 HB2 HIS A 109 0.660 15.661 4.823 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -0.620 14.573 4.324 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -0.698 12.099 5.658 1.00 0.00 H new ATOM 0 HE1 HIS A 109 2.040 13.257 8.663 1.00 0.00 H new ATOM 0 HE2 HIS A 109 0.344 11.476 7.980 1.00 0.00 H new ATOM 458 N LEU A 110 -0.030 12.354 2.482 1.00 0.00 N ATOM 459 CA LEU A 110 -0.409 10.974 2.221 1.00 0.00 C ATOM 460 C LEU A 110 0.625 10.310 1.314 1.00 0.00 C ATOM 461 O LEU A 110 1.043 9.176 1.554 1.00 0.00 O ATOM 462 CB LEU A 110 -1.804 10.938 1.580 1.00 0.00 C ATOM 463 CG LEU A 110 -2.605 9.646 1.778 1.00 0.00 C ATOM 464 CD1 LEU A 110 -4.038 9.843 1.313 1.00 0.00 C ATOM 465 CD2 LEU A 110 -1.969 8.486 1.027 1.00 0.00 C ATOM 0 H LEU A 110 -0.674 13.045 2.097 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.442 10.421 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.387 11.768 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.694 11.113 0.510 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.602 9.406 2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.598 8.919 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.501 10.643 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.044 10.109 0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.558 7.583 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.937 8.716 -0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -0.955 8.327 1.394 1.00 0.00 H new ATOM 477 N ARG A 111 1.058 11.036 0.292 1.00 0.00 N ATOM 478 CA ARG A 111 2.035 10.510 -0.648 1.00 0.00 C ATOM 479 C ARG A 111 3.388 10.320 0.032 1.00 0.00 C ATOM 480 O ARG A 111 4.139 9.405 -0.303 1.00 0.00 O ATOM 481 CB ARG A 111 2.147 11.426 -1.870 1.00 0.00 C ATOM 482 CG ARG A 111 2.445 12.875 -1.542 1.00 0.00 C ATOM 483 CD ARG A 111 2.308 13.745 -2.779 1.00 0.00 C ATOM 484 NE ARG A 111 3.231 13.341 -3.830 1.00 0.00 N ATOM 485 CZ ARG A 111 2.912 13.286 -5.124 1.00 0.00 C ATOM 486 NH1 ARG A 111 1.659 13.487 -5.518 1.00 0.00 N ATOM 487 NH2 ARG A 111 3.846 13.004 -6.025 1.00 0.00 N ATOM 0 H ARG A 111 0.749 11.988 0.094 1.00 0.00 H new ATOM 0 HA ARG A 111 1.698 9.532 -0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.932 11.045 -2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 111 1.214 11.378 -2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 111 1.763 13.225 -0.768 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.455 12.962 -1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.285 13.688 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.493 14.786 -2.513 1.00 0.00 H new ATOM 0 HE ARG A 111 4.180 13.084 -3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.933 13.685 -4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.423 13.443 -6.509 1.00 0.00 H new ATOM 0 HH21 ARG A 111 4.806 12.830 -5.727 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.603 12.962 -7.015 1.00 0.00 H new ATOM 501 N GLN A 112 3.681 11.176 1.009 1.00 0.00 N ATOM 502 CA GLN A 112 4.876 11.021 1.831 1.00 0.00 C ATOM 503 C GLN A 112 4.808 9.729 2.627 1.00 0.00 C ATOM 504 O GLN A 112 5.794 9.002 2.727 1.00 0.00 O ATOM 505 CB GLN A 112 5.031 12.201 2.791 1.00 0.00 C ATOM 506 CG GLN A 112 5.761 13.392 2.197 1.00 0.00 C ATOM 507 CD GLN A 112 7.273 13.251 2.254 1.00 0.00 C ATOM 508 OE1 GLN A 112 7.986 14.247 2.360 1.00 0.00 O ATOM 509 NE2 GLN A 112 7.775 12.027 2.197 1.00 0.00 N ATOM 0 H GLN A 112 3.106 11.984 1.250 1.00 0.00 H new ATOM 0 HA GLN A 112 5.739 10.990 1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.042 12.521 3.119 1.00 0.00 H new ATOM 0 HB3 GLN A 112 5.568 11.865 3.678 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.452 13.520 1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.466 14.295 2.731 1.00 0.00 H new ATOM 0 HE21 GLN A 112 7.152 11.224 2.109 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.784 11.887 2.241 1.00 0.00 H new ATOM 518 N LEU A 113 3.638 9.449 3.188 1.00 0.00 N ATOM 519 CA LEU A 113 3.430 8.232 3.958 1.00 0.00 C ATOM 520 C LEU A 113 3.742 7.004 3.111 1.00 0.00 C ATOM 521 O LEU A 113 4.499 6.131 3.532 1.00 0.00 O ATOM 522 CB LEU A 113 1.994 8.171 4.489 1.00 0.00 C ATOM 523 CG LEU A 113 1.653 9.201 5.571 1.00 0.00 C ATOM 524 CD1 LEU A 113 0.188 9.103 5.959 1.00 0.00 C ATOM 525 CD2 LEU A 113 2.532 8.998 6.793 1.00 0.00 C ATOM 0 H LEU A 113 2.817 10.051 3.123 1.00 0.00 H new ATOM 0 HA LEU A 113 4.110 8.243 4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.308 8.306 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.814 7.174 4.890 1.00 0.00 H new ATOM 0 HG LEU A 113 1.840 10.196 5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.035 9.842 6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.434 9.292 5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -0.020 8.105 6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 113 2.277 9.738 7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.372 7.997 7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 113 3.579 9.113 6.512 1.00 0.00 H new ATOM 537 N MET A 114 3.183 6.957 1.908 1.00 0.00 N ATOM 538 CA MET A 114 3.446 5.859 0.982 1.00 0.00 C ATOM 539 C MET A 114 4.946 5.689 0.743 1.00 0.00 C ATOM 540 O MET A 114 5.480 4.588 0.868 1.00 0.00 O ATOM 541 CB MET A 114 2.719 6.102 -0.343 1.00 0.00 C ATOM 542 CG MET A 114 1.232 5.793 -0.285 1.00 0.00 C ATOM 543 SD MET A 114 0.335 6.447 -1.705 1.00 0.00 S ATOM 544 CE MET A 114 1.151 5.589 -3.046 1.00 0.00 C ATOM 0 H MET A 114 2.544 7.666 1.549 1.00 0.00 H new ATOM 0 HA MET A 114 3.070 4.938 1.429 1.00 0.00 H new ATOM 0 HB2 MET A 114 2.854 7.143 -0.637 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.179 5.489 -1.118 1.00 0.00 H new ATOM 0 HG2 MET A 114 1.090 4.713 -0.236 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.813 6.212 0.630 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.423 5.348 -3.820 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.929 6.226 -3.465 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.599 4.669 -2.670 1.00 0.00 H new ATOM 554 N VAL A 115 5.622 6.790 0.437 1.00 0.00 N ATOM 555 CA VAL A 115 7.053 6.782 0.178 1.00 0.00 C ATOM 556 C VAL A 115 7.838 6.287 1.398 1.00 0.00 C ATOM 557 O VAL A 115 8.801 5.530 1.269 1.00 0.00 O ATOM 558 CB VAL A 115 7.515 8.201 -0.214 1.00 0.00 C ATOM 559 CG1 VAL A 115 9.021 8.309 -0.206 1.00 0.00 C ATOM 560 CG2 VAL A 115 6.964 8.579 -1.579 1.00 0.00 C ATOM 0 H VAL A 115 5.192 7.712 0.362 1.00 0.00 H new ATOM 0 HA VAL A 115 7.250 6.094 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 115 7.125 8.898 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.315 9.321 -0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.396 8.086 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.441 7.599 -0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.299 9.583 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.323 7.870 -2.325 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.875 8.556 -1.551 1.00 0.00 H new ATOM 570 N ASN A 116 7.403 6.707 2.574 1.00 0.00 N ATOM 571 CA ASN A 116 8.065 6.350 3.825 1.00 0.00 C ATOM 572 C ASN A 116 7.906 4.869 4.130 1.00 0.00 C ATOM 573 O ASN A 116 8.827 4.216 4.619 1.00 0.00 O ATOM 574 CB ASN A 116 7.490 7.177 4.974 1.00 0.00 C ATOM 575 CG ASN A 116 8.058 8.577 5.031 1.00 0.00 C ATOM 576 OD1 ASN A 116 9.210 8.810 4.674 1.00 0.00 O ATOM 577 ND2 ASN A 116 7.251 9.521 5.483 1.00 0.00 N ATOM 0 H ASN A 116 6.584 7.303 2.692 1.00 0.00 H new ATOM 0 HA ASN A 116 9.128 6.564 3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 116 6.407 7.234 4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 116 7.692 6.669 5.917 1.00 0.00 H new ATOM 0 HD21 ASN A 116 7.578 10.485 5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 116 6.301 9.286 5.770 1.00 0.00 H new ATOM 584 N LEU A 117 6.732 4.345 3.836 1.00 0.00 N ATOM 585 CA LEU A 117 6.429 2.949 4.111 1.00 0.00 C ATOM 586 C LEU A 117 7.140 2.017 3.135 1.00 0.00 C ATOM 587 O LEU A 117 7.733 1.019 3.548 1.00 0.00 O ATOM 588 CB LEU A 117 4.917 2.719 4.049 1.00 0.00 C ATOM 589 CG LEU A 117 4.448 1.296 4.357 1.00 0.00 C ATOM 590 CD1 LEU A 117 4.829 0.897 5.775 1.00 0.00 C ATOM 591 CD2 LEU A 117 2.944 1.182 4.156 1.00 0.00 C ATOM 0 H LEU A 117 5.968 4.865 3.405 1.00 0.00 H new ATOM 0 HA LEU A 117 6.790 2.720 5.114 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.436 3.400 4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.568 2.989 3.052 1.00 0.00 H new ATOM 0 HG LEU A 117 4.945 0.613 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.485 -0.119 5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 117 5.912 0.942 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 117 4.363 1.582 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.623 0.164 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 117 2.434 1.877 4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.696 1.423 3.122 1.00 0.00 H new ATOM 603 N ASP A 118 7.110 2.358 1.850 1.00 0.00 N ATOM 604 CA ASP A 118 7.596 1.446 0.811 1.00 0.00 C ATOM 605 C ASP A 118 9.115 1.307 0.842 1.00 0.00 C ATOM 606 O ASP A 118 9.657 0.267 0.463 1.00 0.00 O ATOM 607 CB ASP A 118 7.146 1.902 -0.577 1.00 0.00 C ATOM 608 CG ASP A 118 7.356 0.825 -1.629 1.00 0.00 C ATOM 609 OD1 ASP A 118 6.781 -0.275 -1.474 1.00 0.00 O ATOM 610 OD2 ASP A 118 8.087 1.073 -2.616 1.00 0.00 O ATOM 0 H ASP A 118 6.758 3.250 1.502 1.00 0.00 H new ATOM 0 HA ASP A 118 7.161 0.469 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.091 2.175 -0.544 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.699 2.798 -0.861 1.00 0.00 H new ATOM 615 N GLN A 119 9.804 2.345 1.310 1.00 0.00 N ATOM 616 CA GLN A 119 11.260 2.297 1.416 1.00 0.00 C ATOM 617 C GLN A 119 11.690 1.302 2.493 1.00 0.00 C ATOM 618 O GLN A 119 12.843 0.874 2.544 1.00 0.00 O ATOM 619 CB GLN A 119 11.838 3.685 1.702 1.00 0.00 C ATOM 620 CG GLN A 119 11.327 4.319 2.982 1.00 0.00 C ATOM 621 CD GLN A 119 11.816 5.733 3.171 1.00 0.00 C ATOM 622 OE1 GLN A 119 12.860 5.972 3.782 1.00 0.00 O ATOM 623 NE2 GLN A 119 11.068 6.679 2.648 1.00 0.00 N ATOM 0 H GLN A 119 9.383 3.221 1.619 1.00 0.00 H new ATOM 0 HA GLN A 119 11.655 1.959 0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.924 3.610 1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 119 11.604 4.343 0.865 1.00 0.00 H new ATOM 0 HG2 GLN A 119 10.237 4.315 2.974 1.00 0.00 H new ATOM 0 HG3 GLN A 119 11.642 3.714 3.832 1.00 0.00 H new ATOM 0 HE21 GLN A 119 10.212 6.435 2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 119 11.344 7.657 2.740 1.00 0.00 H new ATOM 632 N GLY A 120 10.744 0.953 3.358 1.00 0.00 N ATOM 633 CA GLY A 120 10.941 -0.122 4.313 1.00 0.00 C ATOM 634 C GLY A 120 11.980 0.182 5.372 1.00 0.00 C ATOM 635 O GLY A 120 12.625 -0.731 5.884 1.00 0.00 O ATOM 0 H GLY A 120 9.831 1.404 3.414 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.991 -0.340 4.801 1.00 0.00 H new ATOM 0 HA3 GLY A 120 11.237 -1.023 3.775 1.00 0.00 H new ATOM 639 N GLU A 121 12.139 1.451 5.709 1.00 0.00 N ATOM 640 CA GLU A 121 13.098 1.847 6.731 1.00 0.00 C ATOM 641 C GLU A 121 12.567 1.553 8.126 1.00 0.00 C ATOM 642 O GLU A 121 13.233 0.906 8.931 1.00 0.00 O ATOM 643 CB GLU A 121 13.441 3.329 6.590 1.00 0.00 C ATOM 644 CG GLU A 121 14.409 3.616 5.457 1.00 0.00 C ATOM 645 CD GLU A 121 15.812 3.129 5.759 1.00 0.00 C ATOM 646 OE1 GLU A 121 16.717 3.976 5.904 1.00 0.00 O ATOM 647 OE2 GLU A 121 16.018 1.904 5.870 1.00 0.00 O ATOM 0 H GLU A 121 11.619 2.223 5.292 1.00 0.00 H new ATOM 0 HA GLU A 121 14.006 1.261 6.588 1.00 0.00 H new ATOM 0 HB2 GLU A 121 12.523 3.893 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 121 13.872 3.686 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 121 14.050 3.138 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 121 14.433 4.689 5.266 1.00 0.00 H new ATOM 654 N ASP A 122 11.361 2.022 8.409 1.00 0.00 N ATOM 655 CA ASP A 122 10.745 1.803 9.713 1.00 0.00 C ATOM 656 C ASP A 122 9.315 1.331 9.552 1.00 0.00 C ATOM 657 O ASP A 122 8.433 1.683 10.338 1.00 0.00 O ATOM 658 CB ASP A 122 10.795 3.078 10.559 1.00 0.00 C ATOM 659 CG ASP A 122 12.185 3.381 11.082 1.00 0.00 C ATOM 660 OD1 ASP A 122 12.836 4.312 10.561 1.00 0.00 O ATOM 661 OD2 ASP A 122 12.634 2.691 12.017 1.00 0.00 O ATOM 0 H ASP A 122 10.788 2.556 7.755 1.00 0.00 H new ATOM 0 HA ASP A 122 11.310 1.028 10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 122 10.445 3.919 9.961 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.109 2.978 11.400 1.00 0.00 H new ATOM 666 N LYS A 123 9.117 0.511 8.528 1.00 0.00 N ATOM 667 CA LYS A 123 7.818 -0.076 8.198 1.00 0.00 C ATOM 668 C LYS A 123 7.102 -0.643 9.426 1.00 0.00 C ATOM 669 O LYS A 123 5.878 -0.575 9.511 1.00 0.00 O ATOM 670 CB LYS A 123 7.981 -1.187 7.142 1.00 0.00 C ATOM 671 CG LYS A 123 8.821 -2.381 7.599 1.00 0.00 C ATOM 672 CD LYS A 123 10.306 -2.050 7.661 1.00 0.00 C ATOM 673 CE LYS A 123 11.117 -3.164 8.301 1.00 0.00 C ATOM 674 NZ LYS A 123 10.985 -4.449 7.566 1.00 0.00 N ATOM 0 H LYS A 123 9.863 0.229 7.892 1.00 0.00 H new ATOM 0 HA LYS A 123 7.204 0.730 7.797 1.00 0.00 H new ATOM 0 HB2 LYS A 123 6.992 -1.544 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 123 8.438 -0.758 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 123 8.482 -2.706 8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 123 8.665 -3.216 6.916 1.00 0.00 H new ATOM 0 HD2 LYS A 123 10.678 -1.866 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 123 10.448 -1.129 8.226 1.00 0.00 H new ATOM 0 HE2 LYS A 123 12.167 -2.873 8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 123 10.791 -3.302 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 11.607 -5.162 7.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 9.999 -4.776 7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.256 -4.310 6.572 1.00 0.00 H new ATOM 688 N ALA A 124 7.863 -1.185 10.377 1.00 0.00 N ATOM 689 CA ALA A 124 7.276 -1.818 11.552 1.00 0.00 C ATOM 690 C ALA A 124 6.431 -0.832 12.354 1.00 0.00 C ATOM 691 O ALA A 124 5.300 -1.132 12.730 1.00 0.00 O ATOM 692 CB ALA A 124 8.355 -2.426 12.434 1.00 0.00 C ATOM 0 H ALA A 124 8.883 -1.197 10.355 1.00 0.00 H new ATOM 0 HA ALA A 124 6.621 -2.615 11.201 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.893 -2.892 13.304 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.906 -3.178 11.869 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.040 -1.644 12.762 1.00 0.00 H new ATOM 698 N LYS A 125 6.979 0.352 12.594 1.00 0.00 N ATOM 699 CA LYS A 125 6.270 1.370 13.354 1.00 0.00 C ATOM 700 C LYS A 125 5.288 2.107 12.454 1.00 0.00 C ATOM 701 O LYS A 125 4.195 2.476 12.881 1.00 0.00 O ATOM 702 CB LYS A 125 7.241 2.368 14.004 1.00 0.00 C ATOM 703 CG LYS A 125 8.058 1.790 15.157 1.00 0.00 C ATOM 704 CD LYS A 125 9.209 0.912 14.677 1.00 0.00 C ATOM 705 CE LYS A 125 10.281 1.732 13.980 1.00 0.00 C ATOM 706 NZ LYS A 125 11.420 0.895 13.518 1.00 0.00 N ATOM 0 H LYS A 125 7.907 0.629 12.275 1.00 0.00 H new ATOM 0 HA LYS A 125 5.722 0.869 14.152 1.00 0.00 H new ATOM 0 HB2 LYS A 125 7.924 2.741 13.241 1.00 0.00 H new ATOM 0 HB3 LYS A 125 6.673 3.224 14.370 1.00 0.00 H new ATOM 0 HG2 LYS A 125 8.455 2.606 15.761 1.00 0.00 H new ATOM 0 HG3 LYS A 125 7.404 1.204 15.803 1.00 0.00 H new ATOM 0 HD2 LYS A 125 9.646 0.387 15.526 1.00 0.00 H new ATOM 0 HD3 LYS A 125 8.828 0.153 13.994 1.00 0.00 H new ATOM 0 HE2 LYS A 125 9.843 2.248 13.126 1.00 0.00 H new ATOM 0 HE3 LYS A 125 10.649 2.499 14.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.852 1.330 12.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.129 0.826 14.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 11.076 -0.057 13.277 1.00 0.00 H new ATOM 720 N LEU A 126 5.679 2.295 11.198 1.00 0.00 N ATOM 721 CA LEU A 126 4.840 2.991 10.230 1.00 0.00 C ATOM 722 C LEU A 126 3.505 2.275 10.047 1.00 0.00 C ATOM 723 O LEU A 126 2.457 2.906 10.039 1.00 0.00 O ATOM 724 CB LEU A 126 5.563 3.114 8.885 1.00 0.00 C ATOM 725 CG LEU A 126 6.879 3.896 8.920 1.00 0.00 C ATOM 726 CD1 LEU A 126 7.590 3.804 7.582 1.00 0.00 C ATOM 727 CD2 LEU A 126 6.647 5.352 9.291 1.00 0.00 C ATOM 0 H LEU A 126 6.573 1.974 10.826 1.00 0.00 H new ATOM 0 HA LEU A 126 4.641 3.991 10.615 1.00 0.00 H new ATOM 0 HB2 LEU A 126 5.765 2.112 8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.892 3.595 8.173 1.00 0.00 H new ATOM 0 HG LEU A 126 7.510 3.447 9.687 1.00 0.00 H new ATOM 0 HD11 LEU A 126 8.523 4.366 7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 126 7.806 2.760 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.953 4.220 6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.601 5.880 9.307 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.989 5.814 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.185 5.407 10.277 1.00 0.00 H new ATOM 739 N MET A 127 3.541 0.952 9.930 1.00 0.00 N ATOM 740 CA MET A 127 2.321 0.157 9.765 1.00 0.00 C ATOM 741 C MET A 127 1.313 0.428 10.877 1.00 0.00 C ATOM 742 O MET A 127 0.107 0.307 10.676 1.00 0.00 O ATOM 743 CB MET A 127 2.651 -1.330 9.741 1.00 0.00 C ATOM 744 CG MET A 127 3.095 -1.847 8.382 1.00 0.00 C ATOM 745 SD MET A 127 1.770 -2.687 7.479 1.00 0.00 S ATOM 746 CE MET A 127 0.575 -1.370 7.256 1.00 0.00 C ATOM 0 H MET A 127 4.401 0.403 9.946 1.00 0.00 H new ATOM 0 HA MET A 127 1.875 0.451 8.815 1.00 0.00 H new ATOM 0 HB2 MET A 127 3.439 -1.528 10.468 1.00 0.00 H new ATOM 0 HB3 MET A 127 1.773 -1.891 10.062 1.00 0.00 H new ATOM 0 HG2 MET A 127 3.463 -1.013 7.784 1.00 0.00 H new ATOM 0 HG3 MET A 127 3.929 -2.535 8.516 1.00 0.00 H new ATOM 0 HE1 MET A 127 -0.249 -1.727 6.638 1.00 0.00 H new ATOM 0 HE2 MET A 127 0.192 -1.058 8.228 1.00 0.00 H new ATOM 0 HE3 MET A 127 1.055 -0.522 6.766 1.00 0.00 H new ATOM 756 N ARG A 128 1.812 0.773 12.051 1.00 0.00 N ATOM 757 CA ARG A 128 0.950 1.122 13.170 1.00 0.00 C ATOM 758 C ARG A 128 0.519 2.580 13.075 1.00 0.00 C ATOM 759 O ARG A 128 -0.670 2.896 13.147 1.00 0.00 O ATOM 760 CB ARG A 128 1.676 0.880 14.494 1.00 0.00 C ATOM 761 CG ARG A 128 2.056 -0.572 14.729 1.00 0.00 C ATOM 762 CD ARG A 128 0.827 -1.455 14.857 1.00 0.00 C ATOM 763 NE ARG A 128 1.175 -2.853 15.095 1.00 0.00 N ATOM 764 CZ ARG A 128 0.282 -3.808 15.343 1.00 0.00 C ATOM 765 NH1 ARG A 128 -1.017 -3.522 15.351 1.00 0.00 N ATOM 766 NH2 ARG A 128 0.684 -5.048 15.574 1.00 0.00 N ATOM 0 H ARG A 128 2.810 0.819 12.256 1.00 0.00 H new ATOM 0 HA ARG A 128 0.063 0.490 13.131 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.579 1.491 14.520 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.040 1.216 15.313 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.675 -0.925 13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.657 -0.650 15.635 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.205 -1.093 15.676 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.232 -1.380 13.947 1.00 0.00 H new ATOM 0 HE ARG A 128 2.161 -3.113 15.070 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.331 -2.569 15.167 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -1.700 -4.256 15.541 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.679 -5.272 15.562 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.001 -5.779 15.764 1.00 0.00 H new ATOM 780 N ALA A 129 1.494 3.459 12.885 1.00 0.00 N ATOM 781 CA ALA A 129 1.249 4.895 12.845 1.00 0.00 C ATOM 782 C ALA A 129 0.350 5.292 11.677 1.00 0.00 C ATOM 783 O ALA A 129 -0.395 6.256 11.766 1.00 0.00 O ATOM 784 CB ALA A 129 2.569 5.645 12.768 1.00 0.00 C ATOM 0 H ALA A 129 2.472 3.199 12.755 1.00 0.00 H new ATOM 0 HA ALA A 129 0.728 5.165 13.763 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.377 6.718 12.738 1.00 0.00 H new ATOM 0 HB2 ALA A 129 3.173 5.409 13.644 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.105 5.347 11.866 1.00 0.00 H new ATOM 790 N TYR A 130 0.408 4.545 10.587 1.00 0.00 N ATOM 791 CA TYR A 130 -0.372 4.884 9.402 1.00 0.00 C ATOM 792 C TYR A 130 -1.851 4.582 9.606 1.00 0.00 C ATOM 793 O TYR A 130 -2.708 5.157 8.939 1.00 0.00 O ATOM 794 CB TYR A 130 0.149 4.129 8.182 1.00 0.00 C ATOM 795 CG TYR A 130 1.468 4.643 7.647 1.00 0.00 C ATOM 796 CD1 TYR A 130 1.799 4.468 6.316 1.00 0.00 C ATOM 797 CD2 TYR A 130 2.380 5.299 8.465 1.00 0.00 C ATOM 798 CE1 TYR A 130 2.996 4.920 5.818 1.00 0.00 C ATOM 799 CE2 TYR A 130 3.578 5.755 7.972 1.00 0.00 C ATOM 800 CZ TYR A 130 3.882 5.561 6.648 1.00 0.00 C ATOM 801 OH TYR A 130 5.073 6.010 6.149 1.00 0.00 O ATOM 0 H TYR A 130 0.981 3.706 10.495 1.00 0.00 H new ATOM 0 HA TYR A 130 -0.262 5.955 9.232 1.00 0.00 H new ATOM 0 HB2 TYR A 130 0.261 3.076 8.442 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -0.597 4.184 7.389 1.00 0.00 H new ATOM 0 HD1 TYR A 130 1.105 3.968 5.657 1.00 0.00 H new ATOM 0 HD2 TYR A 130 2.142 5.453 9.507 1.00 0.00 H new ATOM 0 HE1 TYR A 130 3.240 4.772 4.776 1.00 0.00 H new ATOM 0 HE2 TYR A 130 4.276 6.263 8.622 1.00 0.00 H new ATOM 0 HH TYR A 130 5.037 6.014 5.170 1.00 0.00 H new ATOM 811 N MET A 131 -2.147 3.697 10.544 1.00 0.00 N ATOM 812 CA MET A 131 -3.522 3.285 10.784 1.00 0.00 C ATOM 813 C MET A 131 -4.222 4.253 11.729 1.00 0.00 C ATOM 814 O MET A 131 -5.420 4.133 11.983 1.00 0.00 O ATOM 815 CB MET A 131 -3.562 1.865 11.350 1.00 0.00 C ATOM 816 CG MET A 131 -2.970 0.809 10.424 1.00 0.00 C ATOM 817 SD MET A 131 -4.133 0.173 9.189 1.00 0.00 S ATOM 818 CE MET A 131 -4.371 1.579 8.104 1.00 0.00 C ATOM 0 H MET A 131 -1.458 3.251 11.150 1.00 0.00 H new ATOM 0 HA MET A 131 -4.052 3.297 9.831 1.00 0.00 H new ATOM 0 HB2 MET A 131 -3.021 1.847 12.296 1.00 0.00 H new ATOM 0 HB3 MET A 131 -4.597 1.602 11.569 1.00 0.00 H new ATOM 0 HG2 MET A 131 -2.108 1.234 9.910 1.00 0.00 H new ATOM 0 HG3 MET A 131 -2.605 -0.023 11.026 1.00 0.00 H new ATOM 0 HE1 MET A 131 -4.567 1.228 7.091 1.00 0.00 H new ATOM 0 HE2 MET A 131 -5.218 2.169 8.454 1.00 0.00 H new ATOM 0 HE3 MET A 131 -3.473 2.197 8.107 1.00 0.00 H new ATOM 828 N GLN A 132 -3.472 5.213 12.251 1.00 0.00 N ATOM 829 CA GLN A 132 -4.049 6.234 13.116 1.00 0.00 C ATOM 830 C GLN A 132 -4.205 7.546 12.352 1.00 0.00 C ATOM 831 O GLN A 132 -4.786 8.506 12.857 1.00 0.00 O ATOM 832 CB GLN A 132 -3.175 6.451 14.353 1.00 0.00 C ATOM 833 CG GLN A 132 -1.866 7.147 14.046 1.00 0.00 C ATOM 834 CD GLN A 132 -0.968 7.296 15.251 1.00 0.00 C ATOM 835 OE1 GLN A 132 -0.983 6.469 16.166 1.00 0.00 O ATOM 836 NE2 GLN A 132 -0.175 8.349 15.252 1.00 0.00 N ATOM 0 H GLN A 132 -2.469 5.307 12.093 1.00 0.00 H new ATOM 0 HA GLN A 132 -5.032 5.892 13.441 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -3.730 7.041 15.083 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.966 5.486 14.816 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -1.337 6.586 13.275 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -2.076 8.134 13.634 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -0.198 9.006 14.472 1.00 0.00 H new ATOM 0 HE22 GLN A 132 0.462 8.507 16.033 1.00 0.00 H new ATOM 845 N GLU A 133 -3.685 7.582 11.131 1.00 0.00 N ATOM 846 CA GLU A 133 -3.722 8.788 10.328 1.00 0.00 C ATOM 847 C GLU A 133 -4.958 8.795 9.452 1.00 0.00 C ATOM 848 O GLU A 133 -5.136 7.912 8.612 1.00 0.00 O ATOM 849 CB GLU A 133 -2.477 8.893 9.455 1.00 0.00 C ATOM 850 CG GLU A 133 -1.186 8.770 10.231 1.00 0.00 C ATOM 851 CD GLU A 133 -0.115 9.704 9.716 1.00 0.00 C ATOM 852 OE1 GLU A 133 -0.458 10.840 9.326 1.00 0.00 O ATOM 853 OE2 GLU A 133 1.075 9.323 9.725 1.00 0.00 O ATOM 0 H GLU A 133 -3.233 6.787 10.679 1.00 0.00 H new ATOM 0 HA GLU A 133 -3.752 9.644 11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -2.510 8.114 8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -2.488 9.850 8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -1.375 8.983 11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -0.827 7.742 10.174 1.00 0.00 H new ATOM 860 N PRO A 134 -5.816 9.811 9.618 1.00 0.00 N ATOM 861 CA PRO A 134 -7.093 9.894 8.906 1.00 0.00 C ATOM 862 C PRO A 134 -6.911 9.944 7.395 1.00 0.00 C ATOM 863 O PRO A 134 -7.826 9.614 6.646 1.00 0.00 O ATOM 864 CB PRO A 134 -7.715 11.198 9.416 1.00 0.00 C ATOM 865 CG PRO A 134 -6.579 11.980 9.976 1.00 0.00 C ATOM 866 CD PRO A 134 -5.601 10.971 10.500 1.00 0.00 C ATOM 0 HA PRO A 134 -7.714 9.017 9.090 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -8.207 11.741 8.609 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.471 11.003 10.176 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -6.121 12.606 9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -6.917 12.645 10.771 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -4.576 11.336 10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -5.795 10.725 11.544 1.00 0.00 H new ATOM 874 N LEU A 135 -5.720 10.336 6.955 1.00 0.00 N ATOM 875 CA LEU A 135 -5.438 10.436 5.532 1.00 0.00 C ATOM 876 C LEU A 135 -5.078 9.074 4.958 1.00 0.00 C ATOM 877 O LEU A 135 -5.575 8.691 3.898 1.00 0.00 O ATOM 878 CB LEU A 135 -4.308 11.435 5.260 1.00 0.00 C ATOM 879 CG LEU A 135 -4.607 12.888 5.639 1.00 0.00 C ATOM 880 CD1 LEU A 135 -3.460 13.791 5.217 1.00 0.00 C ATOM 881 CD2 LEU A 135 -5.910 13.355 5.008 1.00 0.00 C ATOM 0 H LEU A 135 -4.940 10.588 7.562 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.341 10.798 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -3.421 11.111 5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -4.062 11.398 4.199 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.715 12.943 6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -3.687 14.821 5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -2.545 13.475 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -3.324 13.726 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -6.101 14.390 5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -5.835 13.284 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.729 12.726 5.357 1.00 0.00 H new ATOM 893 N PHE A 136 -4.243 8.324 5.669 1.00 0.00 N ATOM 894 CA PHE A 136 -3.794 7.036 5.166 1.00 0.00 C ATOM 895 C PHE A 136 -4.921 6.020 5.259 1.00 0.00 C ATOM 896 O PHE A 136 -5.022 5.113 4.435 1.00 0.00 O ATOM 897 CB PHE A 136 -2.566 6.539 5.930 1.00 0.00 C ATOM 898 CG PHE A 136 -1.898 5.364 5.272 1.00 0.00 C ATOM 899 CD1 PHE A 136 -2.161 4.068 5.690 1.00 0.00 C ATOM 900 CD2 PHE A 136 -1.005 5.558 4.228 1.00 0.00 C ATOM 901 CE1 PHE A 136 -1.548 2.990 5.079 1.00 0.00 C ATOM 902 CE2 PHE A 136 -0.388 4.485 3.615 1.00 0.00 C ATOM 903 CZ PHE A 136 -0.659 3.200 4.041 1.00 0.00 C ATOM 0 H PHE A 136 -3.869 8.583 6.582 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.509 7.160 4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -1.848 7.354 6.021 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -2.863 6.261 6.941 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -2.853 3.899 6.502 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.790 6.561 3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -1.763 1.985 5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 136 0.305 4.651 2.804 1.00 0.00 H new ATOM 0 HZ PHE A 136 -0.177 2.360 3.564 1.00 0.00 H new ATOM 913 N VAL A 137 -5.773 6.190 6.260 1.00 0.00 N ATOM 914 CA VAL A 137 -6.938 5.335 6.425 1.00 0.00 C ATOM 915 C VAL A 137 -7.857 5.441 5.206 1.00 0.00 C ATOM 916 O VAL A 137 -8.383 4.435 4.731 1.00 0.00 O ATOM 917 CB VAL A 137 -7.717 5.687 7.712 1.00 0.00 C ATOM 918 CG1 VAL A 137 -9.006 4.885 7.805 1.00 0.00 C ATOM 919 CG2 VAL A 137 -6.852 5.435 8.939 1.00 0.00 C ATOM 0 H VAL A 137 -5.678 6.915 6.972 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.585 4.308 6.514 1.00 0.00 H new ATOM 0 HB VAL A 137 -7.976 6.745 7.673 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -9.535 5.152 8.720 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -9.636 5.107 6.944 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -8.772 3.820 7.818 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -7.414 5.687 9.838 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -6.566 4.384 8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -5.956 6.053 8.886 1.00 0.00 H new ATOM 929 N GLU A 138 -8.017 6.655 4.681 1.00 0.00 N ATOM 930 CA GLU A 138 -8.825 6.865 3.484 1.00 0.00 C ATOM 931 C GLU A 138 -8.211 6.131 2.303 1.00 0.00 C ATOM 932 O GLU A 138 -8.901 5.435 1.564 1.00 0.00 O ATOM 933 CB GLU A 138 -8.935 8.352 3.164 1.00 0.00 C ATOM 934 CG GLU A 138 -9.626 9.155 4.248 1.00 0.00 C ATOM 935 CD GLU A 138 -11.078 8.765 4.430 1.00 0.00 C ATOM 936 OE1 GLU A 138 -11.367 7.920 5.299 1.00 0.00 O ATOM 937 OE2 GLU A 138 -11.942 9.305 3.706 1.00 0.00 O ATOM 0 H GLU A 138 -7.600 7.503 5.064 1.00 0.00 H new ATOM 0 HA GLU A 138 -9.824 6.472 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -7.935 8.756 3.005 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -9.481 8.475 2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -9.096 9.016 5.190 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -9.567 10.215 4.002 1.00 0.00 H new ATOM 944 N PHE A 139 -6.901 6.290 2.148 1.00 0.00 N ATOM 945 CA PHE A 139 -6.156 5.626 1.087 1.00 0.00 C ATOM 946 C PHE A 139 -6.323 4.116 1.187 1.00 0.00 C ATOM 947 O PHE A 139 -6.677 3.448 0.213 1.00 0.00 O ATOM 948 CB PHE A 139 -4.673 6.006 1.188 1.00 0.00 C ATOM 949 CG PHE A 139 -3.756 5.178 0.329 1.00 0.00 C ATOM 950 CD1 PHE A 139 -3.597 5.462 -1.015 1.00 0.00 C ATOM 951 CD2 PHE A 139 -3.053 4.117 0.875 1.00 0.00 C ATOM 952 CE1 PHE A 139 -2.753 4.699 -1.801 1.00 0.00 C ATOM 953 CE2 PHE A 139 -2.208 3.352 0.094 1.00 0.00 C ATOM 954 CZ PHE A 139 -2.059 3.643 -1.246 1.00 0.00 C ATOM 0 H PHE A 139 -6.329 6.880 2.752 1.00 0.00 H new ATOM 0 HA PHE A 139 -6.544 5.950 0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 139 -4.560 7.054 0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 139 -4.358 5.914 2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 139 -4.137 6.287 -1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 139 -3.167 3.885 1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 139 -2.637 4.930 -2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 139 -1.665 2.528 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 139 -1.401 3.046 -1.860 1.00 0.00 H new ATOM 964 N ALA A 140 -6.096 3.599 2.384 1.00 0.00 N ATOM 965 CA ALA A 140 -6.131 2.170 2.625 1.00 0.00 C ATOM 966 C ALA A 140 -7.522 1.601 2.399 1.00 0.00 C ATOM 967 O ALA A 140 -7.682 0.621 1.677 1.00 0.00 O ATOM 968 CB ALA A 140 -5.652 1.868 4.037 1.00 0.00 C ATOM 0 H ALA A 140 -5.883 4.157 3.211 1.00 0.00 H new ATOM 0 HA ALA A 140 -5.461 1.690 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.682 0.792 4.209 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -4.630 2.227 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -6.301 2.368 4.756 1.00 0.00 H new ATOM 974 N ASP A 141 -8.528 2.240 2.979 1.00 0.00 N ATOM 975 CA ASP A 141 -9.894 1.737 2.897 1.00 0.00 C ATOM 976 C ASP A 141 -10.375 1.750 1.455 1.00 0.00 C ATOM 977 O ASP A 141 -11.169 0.908 1.042 1.00 0.00 O ATOM 978 CB ASP A 141 -10.828 2.573 3.771 1.00 0.00 C ATOM 979 CG ASP A 141 -12.238 2.017 3.815 1.00 0.00 C ATOM 980 OD1 ASP A 141 -12.470 1.033 4.548 1.00 0.00 O ATOM 981 OD2 ASP A 141 -13.125 2.568 3.131 1.00 0.00 O ATOM 0 H ASP A 141 -8.426 3.105 3.510 1.00 0.00 H new ATOM 0 HA ASP A 141 -9.905 0.710 3.262 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -10.428 2.619 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -10.856 3.595 3.393 1.00 0.00 H new ATOM 986 N CYS A 142 -9.858 2.697 0.688 1.00 0.00 N ATOM 987 CA CYS A 142 -10.204 2.810 -0.716 1.00 0.00 C ATOM 988 C CYS A 142 -9.606 1.660 -1.515 1.00 0.00 C ATOM 989 O CYS A 142 -10.316 0.971 -2.246 1.00 0.00 O ATOM 990 CB CYS A 142 -9.726 4.147 -1.276 1.00 0.00 C ATOM 991 SG CYS A 142 -10.710 5.565 -0.740 1.00 0.00 S ATOM 0 H CYS A 142 -9.196 3.399 1.017 1.00 0.00 H new ATOM 0 HA CYS A 142 -11.289 2.761 -0.804 1.00 0.00 H new ATOM 0 HB2 CYS A 142 -8.689 4.304 -0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 142 -9.741 4.099 -2.365 1.00 0.00 H new ATOM 0 HG CYS A 142 -10.291 5.970 0.422 1.00 0.00 H new ATOM 997 N CYS A 143 -8.306 1.431 -1.353 1.00 0.00 N ATOM 998 CA CYS A 143 -7.622 0.409 -2.131 1.00 0.00 C ATOM 999 C CYS A 143 -8.116 -0.989 -1.764 1.00 0.00 C ATOM 1000 O CYS A 143 -8.059 -1.901 -2.584 1.00 0.00 O ATOM 1001 CB CYS A 143 -6.103 0.519 -1.966 1.00 0.00 C ATOM 1002 SG CYS A 143 -5.517 0.427 -0.262 1.00 0.00 S ATOM 0 H CYS A 143 -7.711 1.936 -0.695 1.00 0.00 H new ATOM 0 HA CYS A 143 -7.858 0.577 -3.182 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.631 -0.278 -2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -5.772 1.463 -2.398 1.00 0.00 H new ATOM 0 HG CYS A 143 -6.522 0.201 0.531 1.00 0.00 H new ATOM 1008 N LEU A 144 -8.631 -1.143 -0.544 1.00 0.00 N ATOM 1009 CA LEU A 144 -9.190 -2.421 -0.103 1.00 0.00 C ATOM 1010 C LEU A 144 -10.308 -2.874 -1.036 1.00 0.00 C ATOM 1011 O LEU A 144 -10.368 -4.036 -1.432 1.00 0.00 O ATOM 1012 CB LEU A 144 -9.733 -2.319 1.326 1.00 0.00 C ATOM 1013 CG LEU A 144 -8.701 -1.966 2.396 1.00 0.00 C ATOM 1014 CD1 LEU A 144 -9.340 -1.960 3.773 1.00 0.00 C ATOM 1015 CD2 LEU A 144 -7.531 -2.933 2.349 1.00 0.00 C ATOM 0 H LEU A 144 -8.673 -0.401 0.155 1.00 0.00 H new ATOM 0 HA LEU A 144 -8.385 -3.155 -0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -10.522 -1.567 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -10.194 -3.271 1.590 1.00 0.00 H new ATOM 0 HG LEU A 144 -8.323 -0.964 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.589 -1.707 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -10.142 -1.222 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -9.749 -2.947 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -6.807 -2.665 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -7.890 -3.947 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -7.056 -2.882 1.369 1.00 0.00 H new ATOM 1027 N GLY A 145 -11.176 -1.938 -1.401 1.00 0.00 N ATOM 1028 CA GLY A 145 -12.291 -2.257 -2.271 1.00 0.00 C ATOM 1029 C GLY A 145 -11.868 -2.402 -3.718 1.00 0.00 C ATOM 1030 O GLY A 145 -12.620 -2.911 -4.548 1.00 0.00 O ATOM 0 H GLY A 145 -11.127 -0.962 -1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 145 -12.756 -3.184 -1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 145 -13.046 -1.475 -2.192 1.00 0.00 H new ATOM 1034 N ILE A 146 -10.667 -1.938 -4.025 1.00 0.00 N ATOM 1035 CA ILE A 146 -10.140 -2.029 -5.374 1.00 0.00 C ATOM 1036 C ILE A 146 -9.339 -3.320 -5.565 1.00 0.00 C ATOM 1037 O ILE A 146 -9.290 -3.874 -6.664 1.00 0.00 O ATOM 1038 CB ILE A 146 -9.259 -0.809 -5.705 1.00 0.00 C ATOM 1039 CG1 ILE A 146 -10.002 0.484 -5.362 1.00 0.00 C ATOM 1040 CG2 ILE A 146 -8.879 -0.820 -7.175 1.00 0.00 C ATOM 1041 CD1 ILE A 146 -9.148 1.726 -5.483 1.00 0.00 C ATOM 0 H ILE A 146 -10.039 -1.494 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 146 -10.988 -2.042 -6.058 1.00 0.00 H new ATOM 0 HB ILE A 146 -8.349 -0.861 -5.108 1.00 0.00 H new ATOM 0 HG12 ILE A 146 -10.865 0.582 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -10.384 0.414 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -8.257 0.047 -7.396 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -8.325 -1.731 -7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -9.782 -0.784 -7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 146 -9.742 2.603 -5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -8.298 1.651 -4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 146 -8.787 1.821 -6.507 1.00 0.00 H new ATOM 1053 N VAL A 147 -8.736 -3.818 -4.489 1.00 0.00 N ATOM 1054 CA VAL A 147 -7.924 -5.023 -4.571 1.00 0.00 C ATOM 1055 C VAL A 147 -8.701 -6.222 -4.074 1.00 0.00 C ATOM 1056 O VAL A 147 -8.158 -7.321 -3.964 1.00 0.00 O ATOM 1057 CB VAL A 147 -6.609 -4.917 -3.768 1.00 0.00 C ATOM 1058 CG1 VAL A 147 -5.785 -3.733 -4.237 1.00 0.00 C ATOM 1059 CG2 VAL A 147 -6.879 -4.837 -2.271 1.00 0.00 C ATOM 0 H VAL A 147 -8.795 -3.407 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 147 -7.668 -5.144 -5.624 1.00 0.00 H new ATOM 0 HB VAL A 147 -6.033 -5.824 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 147 -4.864 -3.678 -3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 147 -5.543 -3.854 -5.293 1.00 0.00 H new ATOM 0 HG13 VAL A 147 -6.356 -2.815 -4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 147 -5.933 -4.763 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 147 -7.487 -3.958 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 147 -7.410 -5.733 -1.949 1.00 0.00 H new ATOM 1069 N GLU A 148 -9.969 -6.006 -3.768 1.00 0.00 N ATOM 1070 CA GLU A 148 -10.817 -7.083 -3.323 1.00 0.00 C ATOM 1071 C GLU A 148 -11.005 -8.090 -4.453 1.00 0.00 C ATOM 1072 O GLU A 148 -11.159 -7.722 -5.622 1.00 0.00 O ATOM 1073 CB GLU A 148 -12.174 -6.567 -2.832 1.00 0.00 C ATOM 1074 CG GLU A 148 -13.080 -6.034 -3.929 1.00 0.00 C ATOM 1075 CD GLU A 148 -14.539 -6.075 -3.530 1.00 0.00 C ATOM 1076 OE1 GLU A 148 -15.090 -7.186 -3.429 1.00 0.00 O ATOM 1077 OE2 GLU A 148 -15.143 -5.006 -3.316 1.00 0.00 O ATOM 0 H GLU A 148 -10.427 -5.096 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 148 -10.331 -7.573 -2.479 1.00 0.00 H new ATOM 0 HB2 GLU A 148 -12.690 -7.375 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 148 -12.005 -5.776 -2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 148 -12.798 -5.008 -4.166 1.00 0.00 H new ATOM 0 HG3 GLU A 148 -12.936 -6.622 -4.836 1.00 0.00 H new ATOM 1197 N ILE B 463 -8.259 -7.475 9.628 1.00 0.00 N ATOM 1198 CA ILE B 463 -7.597 -6.183 9.648 1.00 0.00 C ATOM 1199 C ILE B 463 -6.110 -6.294 9.334 1.00 0.00 C ATOM 1200 O ILE B 463 -5.550 -5.420 8.675 1.00 0.00 O ATOM 1201 CB ILE B 463 -7.782 -5.483 11.012 1.00 0.00 C ATOM 1202 CG1 ILE B 463 -9.271 -5.294 11.313 1.00 0.00 C ATOM 1203 CG2 ILE B 463 -7.063 -4.140 11.025 1.00 0.00 C ATOM 1204 CD1 ILE B 463 -9.550 -4.740 12.692 1.00 0.00 C ATOM 0 HA ILE B 463 -8.067 -5.584 8.868 1.00 0.00 H new ATOM 0 HB ILE B 463 -7.347 -6.114 11.787 1.00 0.00 H new ATOM 0 HG12 ILE B 463 -9.700 -4.623 10.569 1.00 0.00 H new ATOM 0 HG13 ILE B 463 -9.778 -6.253 11.208 1.00 0.00 H new ATOM 0 HG21 ILE B 463 -7.204 -3.661 11.994 1.00 0.00 H new ATOM 0 HG22 ILE B 463 -5.999 -4.295 10.849 1.00 0.00 H new ATOM 0 HG23 ILE B 463 -7.471 -3.501 10.242 1.00 0.00 H new ATOM 0 HD11 ILE B 463 -10.626 -4.634 12.831 1.00 0.00 H new ATOM 0 HD12 ILE B 463 -9.152 -5.420 13.445 1.00 0.00 H new ATOM 0 HD13 ILE B 463 -9.073 -3.765 12.796 1.00 0.00 H new ATOM 1216 N ARG B 464 -5.468 -7.374 9.762 1.00 0.00 N ATOM 1217 CA ARG B 464 -4.024 -7.476 9.575 1.00 0.00 C ATOM 1218 C ARG B 464 -3.713 -7.828 8.129 1.00 0.00 C ATOM 1219 O ARG B 464 -2.679 -7.432 7.593 1.00 0.00 O ATOM 1220 CB ARG B 464 -3.348 -8.454 10.556 1.00 0.00 C ATOM 1221 CG ARG B 464 -4.041 -9.796 10.735 1.00 0.00 C ATOM 1222 CD ARG B 464 -5.114 -9.738 11.812 1.00 0.00 C ATOM 1223 NE ARG B 464 -4.574 -9.306 13.100 1.00 0.00 N ATOM 1224 CZ ARG B 464 -5.322 -9.028 14.167 1.00 0.00 C ATOM 1225 NH1 ARG B 464 -6.644 -9.161 14.115 1.00 0.00 N ATOM 1226 NH2 ARG B 464 -4.747 -8.625 15.293 1.00 0.00 N ATOM 0 H ARG B 464 -5.906 -8.169 10.227 1.00 0.00 H new ATOM 0 HA ARG B 464 -3.599 -6.499 9.804 1.00 0.00 H new ATOM 0 HB2 ARG B 464 -2.329 -8.635 10.214 1.00 0.00 H new ATOM 0 HB3 ARG B 464 -3.276 -7.970 11.530 1.00 0.00 H new ATOM 0 HG2 ARG B 464 -4.490 -10.102 9.790 1.00 0.00 H new ATOM 0 HG3 ARG B 464 -3.303 -10.554 10.997 1.00 0.00 H new ATOM 0 HD2 ARG B 464 -5.903 -9.053 11.501 1.00 0.00 H new ATOM 0 HD3 ARG B 464 -5.571 -10.721 11.922 1.00 0.00 H new ATOM 0 HE ARG B 464 -3.562 -9.212 13.187 1.00 0.00 H new ATOM 0 HH11 ARG B 464 -7.091 -9.478 13.255 1.00 0.00 H new ATOM 0 HH12 ARG B 464 -7.211 -8.947 14.935 1.00 0.00 H new ATOM 0 HH21 ARG B 464 -3.733 -8.528 15.341 1.00 0.00 H new ATOM 0 HH22 ARG B 464 -5.319 -8.412 16.110 1.00 0.00 H new ATOM 1240 N HIS B 465 -4.634 -8.542 7.497 1.00 0.00 N ATOM 1241 CA HIS B 465 -4.568 -8.791 6.068 1.00 0.00 C ATOM 1242 C HIS B 465 -4.732 -7.477 5.314 1.00 0.00 C ATOM 1243 O HIS B 465 -3.949 -7.155 4.424 1.00 0.00 O ATOM 1244 CB HIS B 465 -5.655 -9.797 5.660 1.00 0.00 C ATOM 1245 CG HIS B 465 -5.910 -9.874 4.185 1.00 0.00 C ATOM 1246 ND1 HIS B 465 -5.227 -10.725 3.347 1.00 0.00 N ATOM 1247 CD2 HIS B 465 -6.778 -9.190 3.403 1.00 0.00 C ATOM 1248 CE1 HIS B 465 -5.660 -10.558 2.109 1.00 0.00 C ATOM 1249 NE2 HIS B 465 -6.602 -9.635 2.116 1.00 0.00 N ATOM 0 H HIS B 465 -5.441 -8.961 7.958 1.00 0.00 H new ATOM 0 HA HIS B 465 -3.598 -9.218 5.816 1.00 0.00 H new ATOM 0 HB2 HIS B 465 -5.370 -10.786 6.018 1.00 0.00 H new ATOM 0 HB3 HIS B 465 -6.585 -9.532 6.163 1.00 0.00 H new ATOM 0 HD2 HIS B 465 -7.478 -8.435 3.730 1.00 0.00 H new ATOM 0 HE1 HIS B 465 -5.303 -11.088 1.239 1.00 0.00 H new ATOM 0 HE2 HIS B 465 -7.116 -9.306 1.299 1.00 0.00 H new ATOM 1258 N GLU B 466 -5.745 -6.715 5.700 1.00 0.00 N ATOM 1259 CA GLU B 466 -6.039 -5.435 5.066 1.00 0.00 C ATOM 1260 C GLU B 466 -4.887 -4.446 5.245 1.00 0.00 C ATOM 1261 O GLU B 466 -4.762 -3.496 4.484 1.00 0.00 O ATOM 1262 CB GLU B 466 -7.332 -4.850 5.637 1.00 0.00 C ATOM 1263 CG GLU B 466 -8.567 -5.680 5.318 1.00 0.00 C ATOM 1264 CD GLU B 466 -9.797 -5.230 6.083 1.00 0.00 C ATOM 1265 OE1 GLU B 466 -10.221 -5.946 7.015 1.00 0.00 O ATOM 1266 OE2 GLU B 466 -10.355 -4.165 5.755 1.00 0.00 O ATOM 0 H GLU B 466 -6.383 -6.963 6.456 1.00 0.00 H new ATOM 0 HA GLU B 466 -6.166 -5.610 3.998 1.00 0.00 H new ATOM 0 HB2 GLU B 466 -7.234 -4.760 6.719 1.00 0.00 H new ATOM 0 HB3 GLU B 466 -7.470 -3.842 5.245 1.00 0.00 H new ATOM 0 HG2 GLU B 466 -8.770 -5.623 4.249 1.00 0.00 H new ATOM 0 HG3 GLU B 466 -8.365 -6.726 5.549 1.00 0.00 H new ATOM 1273 N ARG B 467 -4.059 -4.659 6.255 1.00 0.00 N ATOM 1274 CA ARG B 467 -2.892 -3.812 6.467 1.00 0.00 C ATOM 1275 C ARG B 467 -1.746 -4.186 5.528 1.00 0.00 C ATOM 1276 O ARG B 467 -1.126 -3.310 4.925 1.00 0.00 O ATOM 1277 CB ARG B 467 -2.431 -3.891 7.920 1.00 0.00 C ATOM 1278 CG ARG B 467 -3.389 -3.220 8.886 1.00 0.00 C ATOM 1279 CD ARG B 467 -3.063 -3.554 10.330 1.00 0.00 C ATOM 1280 NE ARG B 467 -1.866 -2.868 10.812 1.00 0.00 N ATOM 1281 CZ ARG B 467 -0.686 -3.457 10.987 1.00 0.00 C ATOM 1282 NH1 ARG B 467 -0.501 -4.715 10.613 1.00 0.00 N ATOM 1283 NH2 ARG B 467 0.318 -2.774 11.520 1.00 0.00 N ATOM 0 H ARG B 467 -4.171 -5.407 6.939 1.00 0.00 H new ATOM 0 HA ARG B 467 -3.186 -2.787 6.243 1.00 0.00 H new ATOM 0 HB2 ARG B 467 -2.314 -4.938 8.201 1.00 0.00 H new ATOM 0 HB3 ARG B 467 -1.449 -3.426 8.009 1.00 0.00 H new ATOM 0 HG2 ARG B 467 -3.349 -2.140 8.745 1.00 0.00 H new ATOM 0 HG3 ARG B 467 -4.409 -3.533 8.662 1.00 0.00 H new ATOM 0 HD2 ARG B 467 -3.910 -3.284 10.961 1.00 0.00 H new ATOM 0 HD3 ARG B 467 -2.923 -4.631 10.427 1.00 0.00 H new ATOM 0 HE ARG B 467 -1.940 -1.874 11.028 1.00 0.00 H new ATOM 0 HH11 ARG B 467 -1.266 -5.238 10.188 1.00 0.00 H new ATOM 0 HH12 ARG B 467 0.407 -5.160 10.750 1.00 0.00 H new ATOM 0 HH21 ARG B 467 0.184 -1.801 11.794 1.00 0.00 H new ATOM 0 HH22 ARG B 467 1.224 -3.222 11.656 1.00 0.00 H new ATOM 1297 N ASN B 468 -1.471 -5.478 5.381 1.00 0.00 N ATOM 1298 CA ASN B 468 -0.336 -5.907 4.575 1.00 0.00 C ATOM 1299 C ASN B 468 -0.657 -5.847 3.084 1.00 0.00 C ATOM 1300 O ASN B 468 0.246 -5.818 2.253 1.00 0.00 O ATOM 1301 CB ASN B 468 0.129 -7.317 4.964 1.00 0.00 C ATOM 1302 CG ASN B 468 -0.845 -8.409 4.571 1.00 0.00 C ATOM 1303 OD1 ASN B 468 -1.703 -8.802 5.350 1.00 0.00 O ATOM 1304 ND2 ASN B 468 -0.708 -8.920 3.360 1.00 0.00 N ATOM 0 H ASN B 468 -2.009 -6.235 5.802 1.00 0.00 H new ATOM 0 HA ASN B 468 0.479 -5.212 4.777 1.00 0.00 H new ATOM 0 HB2 ASN B 468 1.092 -7.515 4.494 1.00 0.00 H new ATOM 0 HB3 ASN B 468 0.287 -7.354 6.042 1.00 0.00 H new ATOM 0 HD21 ASN B 468 -1.329 -9.667 3.048 1.00 0.00 H new ATOM 0 HD22 ASN B 468 0.019 -8.568 2.737 1.00 0.00 H new ATOM 1311 N VAL B 469 -1.941 -5.829 2.739 1.00 0.00 N ATOM 1312 CA VAL B 469 -2.342 -5.700 1.342 1.00 0.00 C ATOM 1313 C VAL B 469 -2.064 -4.289 0.834 1.00 0.00 C ATOM 1314 O VAL B 469 -1.908 -4.067 -0.368 1.00 0.00 O ATOM 1315 CB VAL B 469 -3.829 -6.056 1.118 1.00 0.00 C ATOM 1316 CG1 VAL B 469 -4.075 -7.521 1.409 1.00 0.00 C ATOM 1317 CG2 VAL B 469 -4.738 -5.177 1.951 1.00 0.00 C ATOM 0 H VAL B 469 -2.715 -5.901 3.400 1.00 0.00 H new ATOM 0 HA VAL B 469 -1.746 -6.416 0.776 1.00 0.00 H new ATOM 0 HB VAL B 469 -4.065 -5.871 0.070 1.00 0.00 H new ATOM 0 HG11 VAL B 469 -5.128 -7.753 1.246 1.00 0.00 H new ATOM 0 HG12 VAL B 469 -3.462 -8.132 0.746 1.00 0.00 H new ATOM 0 HG13 VAL B 469 -3.813 -7.735 2.445 1.00 0.00 H new ATOM 0 HG21 VAL B 469 -5.777 -5.453 1.770 1.00 0.00 H new ATOM 0 HG22 VAL B 469 -4.506 -5.311 3.007 1.00 0.00 H new ATOM 0 HG23 VAL B 469 -4.587 -4.133 1.676 1.00 0.00 H new ATOM 1327 N ILE B 470 -1.977 -3.342 1.764 1.00 0.00 N ATOM 1328 CA ILE B 470 -1.664 -1.963 1.425 1.00 0.00 C ATOM 1329 C ILE B 470 -0.240 -1.871 0.891 1.00 0.00 C ATOM 1330 O ILE B 470 0.066 -1.036 0.042 1.00 0.00 O ATOM 1331 CB ILE B 470 -1.805 -1.022 2.643 1.00 0.00 C ATOM 1332 CG1 ILE B 470 -3.146 -1.240 3.345 1.00 0.00 C ATOM 1333 CG2 ILE B 470 -1.673 0.431 2.214 1.00 0.00 C ATOM 1334 CD1 ILE B 470 -4.346 -1.064 2.443 1.00 0.00 C ATOM 0 H ILE B 470 -2.120 -3.508 2.760 1.00 0.00 H new ATOM 0 HA ILE B 470 -2.377 -1.646 0.664 1.00 0.00 H new ATOM 0 HB ILE B 470 -1.004 -1.256 3.344 1.00 0.00 H new ATOM 0 HG12 ILE B 470 -3.165 -2.245 3.766 1.00 0.00 H new ATOM 0 HG13 ILE B 470 -3.226 -0.543 4.179 1.00 0.00 H new ATOM 0 HG21 ILE B 470 -1.775 1.078 3.085 1.00 0.00 H new ATOM 0 HG22 ILE B 470 -0.696 0.588 1.758 1.00 0.00 H new ATOM 0 HG23 ILE B 470 -2.454 0.669 1.491 1.00 0.00 H new ATOM 0 HD11 ILE B 470 -5.259 -1.235 3.014 1.00 0.00 H new ATOM 0 HD12 ILE B 470 -4.354 -0.051 2.041 1.00 0.00 H new ATOM 0 HD13 ILE B 470 -4.292 -1.779 1.622 1.00 0.00 H new ATOM 1346 N LEU B 471 0.619 -2.760 1.383 1.00 0.00 N ATOM 1347 CA LEU B 471 2.015 -2.801 0.963 1.00 0.00 C ATOM 1348 C LEU B 471 2.122 -3.061 -0.538 1.00 0.00 C ATOM 1349 O LEU B 471 2.977 -2.495 -1.216 1.00 0.00 O ATOM 1350 CB LEU B 471 2.767 -3.882 1.744 1.00 0.00 C ATOM 1351 CG LEU B 471 2.728 -3.731 3.268 1.00 0.00 C ATOM 1352 CD1 LEU B 471 3.405 -4.914 3.938 1.00 0.00 C ATOM 1353 CD2 LEU B 471 3.392 -2.431 3.696 1.00 0.00 C ATOM 0 H LEU B 471 0.370 -3.465 2.077 1.00 0.00 H new ATOM 0 HA LEU B 471 2.467 -1.832 1.174 1.00 0.00 H new ATOM 0 HB2 LEU B 471 2.351 -4.854 1.480 1.00 0.00 H new ATOM 0 HB3 LEU B 471 3.808 -3.883 1.421 1.00 0.00 H new ATOM 0 HG LEU B 471 1.684 -3.705 3.581 1.00 0.00 H new ATOM 0 HD11 LEU B 471 3.368 -4.790 5.020 1.00 0.00 H new ATOM 0 HD12 LEU B 471 2.889 -5.833 3.661 1.00 0.00 H new ATOM 0 HD13 LEU B 471 4.444 -4.969 3.615 1.00 0.00 H new ATOM 0 HD21 LEU B 471 3.354 -2.343 4.782 1.00 0.00 H new ATOM 0 HD22 LEU B 471 4.432 -2.428 3.368 1.00 0.00 H new ATOM 0 HD23 LEU B 471 2.867 -1.589 3.245 1.00 0.00 H new ATOM 1365 N GLN B 472 1.246 -3.917 -1.053 1.00 0.00 N ATOM 1366 CA GLN B 472 1.198 -4.194 -2.487 1.00 0.00 C ATOM 1367 C GLN B 472 0.705 -2.968 -3.240 1.00 0.00 C ATOM 1368 O GLN B 472 1.214 -2.632 -4.309 1.00 0.00 O ATOM 1369 CB GLN B 472 0.286 -5.383 -2.795 1.00 0.00 C ATOM 1370 CG GLN B 472 0.879 -6.742 -2.454 1.00 0.00 C ATOM 1371 CD GLN B 472 1.059 -6.955 -0.967 1.00 0.00 C ATOM 1372 OE1 GLN B 472 2.120 -6.693 -0.410 1.00 0.00 O ATOM 1373 NE2 GLN B 472 0.007 -7.411 -0.310 1.00 0.00 N ATOM 0 H GLN B 472 0.560 -4.431 -0.501 1.00 0.00 H new ATOM 0 HA GLN B 472 2.208 -4.443 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN B 472 -0.647 -5.260 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN B 472 0.035 -5.367 -3.856 1.00 0.00 H new ATOM 0 HG2 GLN B 472 0.232 -7.524 -2.851 1.00 0.00 H new ATOM 0 HG3 GLN B 472 1.845 -6.845 -2.949 1.00 0.00 H new ATOM 0 HE21 GLN B 472 -0.857 -7.617 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN B 472 0.059 -7.557 0.698 1.00 0.00 H new ATOM 1382 N CYS B 473 -0.280 -2.303 -2.657 1.00 0.00 N ATOM 1383 CA CYS B 473 -0.889 -1.127 -3.255 1.00 0.00 C ATOM 1384 C CYS B 473 0.142 -0.012 -3.412 1.00 0.00 C ATOM 1385 O CYS B 473 0.386 0.477 -4.518 1.00 0.00 O ATOM 1386 CB CYS B 473 -2.056 -0.665 -2.380 1.00 0.00 C ATOM 1387 SG CYS B 473 -3.286 -1.956 -2.059 1.00 0.00 S ATOM 0 H CYS B 473 -0.679 -2.564 -1.756 1.00 0.00 H new ATOM 0 HA CYS B 473 -1.263 -1.378 -4.248 1.00 0.00 H new ATOM 0 HB2 CYS B 473 -1.664 -0.305 -1.429 1.00 0.00 H new ATOM 0 HB3 CYS B 473 -2.547 0.180 -2.863 1.00 0.00 H new ATOM 0 HG CYS B 473 -2.785 -2.842 -1.250 1.00 0.00 H new ATOM 1393 N VAL B 474 0.746 0.367 -2.294 1.00 0.00 N ATOM 1394 CA VAL B 474 1.799 1.368 -2.264 1.00 0.00 C ATOM 1395 C VAL B 474 2.921 1.030 -3.243 1.00 0.00 C ATOM 1396 O VAL B 474 3.317 1.875 -4.050 1.00 0.00 O ATOM 1397 CB VAL B 474 2.388 1.497 -0.843 1.00 0.00 C ATOM 1398 CG1 VAL B 474 3.510 2.515 -0.811 1.00 0.00 C ATOM 1399 CG2 VAL B 474 1.304 1.867 0.156 1.00 0.00 C ATOM 0 H VAL B 474 0.516 -0.015 -1.377 1.00 0.00 H new ATOM 0 HA VAL B 474 1.350 2.316 -2.561 1.00 0.00 H new ATOM 0 HB VAL B 474 2.801 0.528 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL B 474 3.907 2.587 0.201 1.00 0.00 H new ATOM 0 HG12 VAL B 474 4.303 2.204 -1.491 1.00 0.00 H new ATOM 0 HG13 VAL B 474 3.128 3.488 -1.120 1.00 0.00 H new ATOM 0 HG21 VAL B 474 1.740 1.953 1.151 1.00 0.00 H new ATOM 0 HG22 VAL B 474 0.857 2.820 -0.128 1.00 0.00 H new ATOM 0 HG23 VAL B 474 0.536 1.094 0.162 1.00 0.00 H new ATOM 1409 N ARG B 475 3.409 -0.211 -3.188 1.00 0.00 N ATOM 1410 CA ARG B 475 4.538 -0.630 -3.999 1.00 0.00 C ATOM 1411 C ARG B 475 4.238 -0.479 -5.481 1.00 0.00 C ATOM 1412 O ARG B 475 5.069 0.008 -6.242 1.00 0.00 O ATOM 1413 CB ARG B 475 4.894 -2.084 -3.703 1.00 0.00 C ATOM 1414 CG ARG B 475 6.076 -2.581 -4.510 1.00 0.00 C ATOM 1415 CD ARG B 475 7.355 -1.873 -4.103 1.00 0.00 C ATOM 1416 NE ARG B 475 8.285 -2.792 -3.462 1.00 0.00 N ATOM 1417 CZ ARG B 475 9.433 -2.421 -2.902 1.00 0.00 C ATOM 1418 NH1 ARG B 475 9.695 -1.137 -2.696 1.00 0.00 N ATOM 1419 NH2 ARG B 475 10.290 -3.342 -2.482 1.00 0.00 N ATOM 0 H ARG B 475 3.033 -0.942 -2.584 1.00 0.00 H new ATOM 0 HA ARG B 475 5.381 0.012 -3.746 1.00 0.00 H new ATOM 0 HB2 ARG B 475 5.117 -2.189 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG B 475 4.029 -2.714 -3.911 1.00 0.00 H new ATOM 0 HG2 ARG B 475 6.191 -3.656 -4.368 1.00 0.00 H new ATOM 0 HG3 ARG B 475 5.889 -2.418 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG B 475 7.824 -1.431 -4.982 1.00 0.00 H new ATOM 0 HD3 ARG B 475 7.120 -1.055 -3.422 1.00 0.00 H new ATOM 0 HE ARG B 475 8.041 -3.782 -3.441 1.00 0.00 H new ATOM 0 HH11 ARG B 475 9.014 -0.428 -2.967 1.00 0.00 H new ATOM 0 HH12 ARG B 475 10.577 -0.859 -2.266 1.00 0.00 H new ATOM 0 HH21 ARG B 475 10.068 -4.332 -2.589 1.00 0.00 H new ATOM 0 HH22 ARG B 475 11.171 -3.061 -2.052 1.00 0.00 H new ATOM 1433 N TYR B 476 3.047 -0.898 -5.881 1.00 0.00 N ATOM 1434 CA TYR B 476 2.654 -0.852 -7.273 1.00 0.00 C ATOM 1435 C TYR B 476 2.626 0.587 -7.781 1.00 0.00 C ATOM 1436 O TYR B 476 3.157 0.887 -8.852 1.00 0.00 O ATOM 1437 CB TYR B 476 1.285 -1.514 -7.442 1.00 0.00 C ATOM 1438 CG TYR B 476 0.456 -0.890 -8.536 1.00 0.00 C ATOM 1439 CD1 TYR B 476 0.668 -1.205 -9.872 1.00 0.00 C ATOM 1440 CD2 TYR B 476 -0.518 0.042 -8.223 1.00 0.00 C ATOM 1441 CE1 TYR B 476 -0.071 -0.602 -10.871 1.00 0.00 C ATOM 1442 CE2 TYR B 476 -1.266 0.648 -9.211 1.00 0.00 C ATOM 1443 CZ TYR B 476 -1.040 0.324 -10.534 1.00 0.00 C ATOM 1444 OH TYR B 476 -1.779 0.933 -11.522 1.00 0.00 O ATOM 0 H TYR B 476 2.336 -1.275 -5.254 1.00 0.00 H new ATOM 0 HA TYR B 476 3.387 -1.399 -7.866 1.00 0.00 H new ATOM 0 HB2 TYR B 476 1.425 -2.573 -7.660 1.00 0.00 H new ATOM 0 HB3 TYR B 476 0.739 -1.451 -6.501 1.00 0.00 H new ATOM 0 HD1 TYR B 476 1.422 -1.932 -10.134 1.00 0.00 H new ATOM 0 HD2 TYR B 476 -0.695 0.299 -7.189 1.00 0.00 H new ATOM 0 HE1 TYR B 476 0.107 -0.852 -11.907 1.00 0.00 H new ATOM 0 HE2 TYR B 476 -2.024 1.372 -8.951 1.00 0.00 H new ATOM 0 HH TYR B 476 -2.696 0.588 -11.504 1.00 0.00 H new ATOM 1454 N ILE B 477 2.011 1.472 -7.009 1.00 0.00 N ATOM 1455 CA ILE B 477 1.889 2.866 -7.407 1.00 0.00 C ATOM 1456 C ILE B 477 3.258 3.516 -7.459 1.00 0.00 C ATOM 1457 O ILE B 477 3.664 4.050 -8.489 1.00 0.00 O ATOM 1458 CB ILE B 477 0.989 3.658 -6.440 1.00 0.00 C ATOM 1459 CG1 ILE B 477 -0.387 3.000 -6.345 1.00 0.00 C ATOM 1460 CG2 ILE B 477 0.863 5.103 -6.903 1.00 0.00 C ATOM 1461 CD1 ILE B 477 -1.277 3.612 -5.291 1.00 0.00 C ATOM 0 H ILE B 477 1.590 1.250 -6.107 1.00 0.00 H new ATOM 0 HA ILE B 477 1.430 2.883 -8.396 1.00 0.00 H new ATOM 0 HB ILE B 477 1.443 3.653 -5.449 1.00 0.00 H new ATOM 0 HG12 ILE B 477 -0.882 3.071 -7.313 1.00 0.00 H new ATOM 0 HG13 ILE B 477 -0.259 1.939 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE B 477 0.224 5.652 -6.211 1.00 0.00 H new ATOM 0 HG22 ILE B 477 1.850 5.564 -6.929 1.00 0.00 H new ATOM 0 HG23 ILE B 477 0.424 5.129 -7.900 1.00 0.00 H new ATOM 0 HD11 ILE B 477 -2.237 3.095 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE B 477 -0.803 3.517 -4.314 1.00 0.00 H new ATOM 0 HD13 ILE B 477 -1.435 4.667 -5.516 1.00 0.00 H new ATOM 1473 N ILE B 478 3.980 3.421 -6.350 1.00 0.00 N ATOM 1474 CA ILE B 478 5.310 4.002 -6.235 1.00 0.00 C ATOM 1475 C ILE B 478 6.239 3.467 -7.315 1.00 0.00 C ATOM 1476 O ILE B 478 7.143 4.170 -7.770 1.00 0.00 O ATOM 1477 CB ILE B 478 5.904 3.734 -4.831 1.00 0.00 C ATOM 1478 CG1 ILE B 478 5.162 4.580 -3.793 1.00 0.00 C ATOM 1479 CG2 ILE B 478 7.404 4.002 -4.781 1.00 0.00 C ATOM 1480 CD1 ILE B 478 5.819 4.591 -2.434 1.00 0.00 C ATOM 0 H ILE B 478 3.661 2.941 -5.508 1.00 0.00 H new ATOM 0 HA ILE B 478 5.216 5.079 -6.373 1.00 0.00 H new ATOM 0 HB ILE B 478 5.769 2.677 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE B 478 5.088 5.604 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE B 478 4.144 4.203 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE B 478 7.776 3.800 -3.777 1.00 0.00 H new ATOM 0 HG22 ILE B 478 7.913 3.354 -5.494 1.00 0.00 H new ATOM 0 HG23 ILE B 478 7.596 5.044 -5.037 1.00 0.00 H new ATOM 0 HD11 ILE B 478 5.236 5.211 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE B 478 5.869 3.574 -2.046 1.00 0.00 H new ATOM 0 HD13 ILE B 478 6.827 4.996 -2.521 1.00 0.00 H new ATOM 1492 N LYS B 479 5.975 2.246 -7.752 1.00 0.00 N ATOM 1493 CA LYS B 479 6.810 1.574 -8.732 1.00 0.00 C ATOM 1494 C LYS B 479 6.900 2.355 -10.040 1.00 0.00 C ATOM 1495 O LYS B 479 7.970 2.436 -10.641 1.00 0.00 O ATOM 1496 CB LYS B 479 6.287 0.161 -8.988 1.00 0.00 C ATOM 1497 CG LYS B 479 7.286 -0.749 -9.672 1.00 0.00 C ATOM 1498 CD LYS B 479 8.498 -0.997 -8.790 1.00 0.00 C ATOM 1499 CE LYS B 479 9.480 -1.946 -9.448 1.00 0.00 C ATOM 1500 NZ LYS B 479 8.906 -3.305 -9.638 1.00 0.00 N ATOM 0 H LYS B 479 5.177 1.694 -7.437 1.00 0.00 H new ATOM 0 HA LYS B 479 7.818 1.515 -8.321 1.00 0.00 H new ATOM 0 HB2 LYS B 479 5.995 -0.286 -8.037 1.00 0.00 H new ATOM 0 HB3 LYS B 479 5.388 0.223 -9.601 1.00 0.00 H new ATOM 0 HG2 LYS B 479 6.810 -1.699 -9.915 1.00 0.00 H new ATOM 0 HG3 LYS B 479 7.604 -0.302 -10.614 1.00 0.00 H new ATOM 0 HD2 LYS B 479 8.993 -0.050 -8.576 1.00 0.00 H new ATOM 0 HD3 LYS B 479 8.175 -1.411 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS B 479 9.781 -1.542 -10.415 1.00 0.00 H new ATOM 0 HE3 LYS B 479 10.380 -2.016 -8.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 479 9.666 -3.972 -9.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 479 8.444 -3.613 -8.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 479 8.206 -3.282 -10.407 1.00 0.00 H new ATOM 1514 N LYS B 480 5.792 2.931 -10.486 1.00 0.00 N ATOM 1515 CA LYS B 480 5.805 3.676 -11.739 1.00 0.00 C ATOM 1516 C LYS B 480 5.607 5.168 -11.497 1.00 0.00 C ATOM 1517 O LYS B 480 5.917 5.994 -12.359 1.00 0.00 O ATOM 1518 CB LYS B 480 4.707 3.172 -12.694 1.00 0.00 C ATOM 1519 CG LYS B 480 4.752 1.676 -12.986 1.00 0.00 C ATOM 1520 CD LYS B 480 4.070 0.866 -11.895 1.00 0.00 C ATOM 1521 CE LYS B 480 4.306 -0.627 -12.070 1.00 0.00 C ATOM 1522 NZ LYS B 480 3.860 -1.108 -13.400 1.00 0.00 N ATOM 0 H LYS B 480 4.890 2.899 -10.011 1.00 0.00 H new ATOM 0 HA LYS B 480 6.782 3.515 -12.195 1.00 0.00 H new ATOM 0 HB2 LYS B 480 3.734 3.416 -12.267 1.00 0.00 H new ATOM 0 HB3 LYS B 480 4.787 3.715 -13.636 1.00 0.00 H new ATOM 0 HG2 LYS B 480 4.268 1.478 -13.942 1.00 0.00 H new ATOM 0 HG3 LYS B 480 5.789 1.356 -13.082 1.00 0.00 H new ATOM 0 HD2 LYS B 480 4.443 1.181 -10.921 1.00 0.00 H new ATOM 0 HD3 LYS B 480 2.999 1.069 -11.907 1.00 0.00 H new ATOM 0 HE2 LYS B 480 5.367 -0.844 -11.943 1.00 0.00 H new ATOM 0 HE3 LYS B 480 3.774 -1.172 -11.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 480 3.896 -2.147 -13.423 1.00 0.00 H new ATOM 0 HZ2 LYS B 480 2.885 -0.791 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 480 4.486 -0.723 -14.136 1.00 0.00 H new