USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 831 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 Single : A 2 HIS : no HD1:sc= -0.778 X(o=-0.78,f=-0.65) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.885 K(o=-0.88,f=-0.0062) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00147 USER MOD Single : A 40 CYS SG : rot 60:sc= -5.75! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.991 K(o=0.99,f=-0.0068) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 0.4 (180deg=0.292) USER MOD Single : A 63 SER OG : rot -31:sc= 1.23 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 172:sc= 0 (180deg=-0.08) USER MOD Single : A 85 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.73) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 105:sc= 0.455 USER MOD Single : A 99 HIS : no HD1:sc= -0.938 K(o=-0.94,f=-1.6) USER MOD Single : A 103 THR OG1 : rot 10:sc= 1.17 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= 0.0102 K(o=0.01,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 1.695 -20.422 1.390 1.00 0.00 N ATOM 9 CA HIS A 2 1.829 -18.967 1.315 1.00 0.00 C ATOM 10 C HIS A 2 2.014 -18.459 2.756 1.00 0.00 C ATOM 11 O HIS A 2 1.803 -19.206 3.711 1.00 0.00 O ATOM 12 CB HIS A 2 0.619 -18.386 0.563 1.00 0.00 C ATOM 13 CG HIS A 2 0.650 -18.613 -0.937 1.00 0.00 C ATOM 14 ND1 HIS A 2 1.522 -19.419 -1.650 1.00 0.00 N ATOM 15 CD2 HIS A 2 -0.114 -17.941 -1.852 1.00 0.00 C ATOM 16 CE1 HIS A 2 1.266 -19.259 -2.957 1.00 0.00 C ATOM 17 NE2 HIS A 2 0.257 -18.387 -3.124 1.00 0.00 N ATOM 0 HA HIS A 2 2.697 -18.638 0.744 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.292 -18.828 0.967 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.566 -17.314 0.756 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.868 -17.200 -1.631 1.00 0.00 H new ATOM 0 HE1 HIS A 2 1.793 -19.757 -3.757 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.159 -18.104 -4.011 1.00 0.00 H new ATOM 25 N VAL A 3 2.454 -17.216 2.936 1.00 0.00 N ATOM 26 CA VAL A 3 2.748 -16.636 4.253 1.00 0.00 C ATOM 27 C VAL A 3 1.508 -15.846 4.678 1.00 0.00 C ATOM 28 O VAL A 3 1.148 -14.911 3.965 1.00 0.00 O ATOM 29 CB VAL A 3 4.002 -15.716 4.207 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.952 -15.950 5.382 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.849 -15.789 2.936 1.00 0.00 C ATOM 0 H VAL A 3 2.620 -16.571 2.164 1.00 0.00 H new ATOM 0 HA VAL A 3 2.974 -17.425 4.971 1.00 0.00 H new ATOM 0 HB VAL A 3 3.542 -14.729 4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.808 -15.281 5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.429 -15.753 6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.297 -16.984 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.693 -15.105 3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.218 -16.806 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.240 -15.509 2.076 1.00 0.00 H new ATOM 41 N GLN A 4 0.817 -16.189 5.770 1.00 0.00 N ATOM 42 CA GLN A 4 -0.290 -15.367 6.244 1.00 0.00 C ATOM 43 C GLN A 4 0.236 -14.040 6.774 1.00 0.00 C ATOM 44 O GLN A 4 1.286 -14.019 7.422 1.00 0.00 O ATOM 45 CB GLN A 4 -1.123 -16.116 7.296 1.00 0.00 C ATOM 46 CG GLN A 4 -2.574 -15.646 7.182 1.00 0.00 C ATOM 47 CD GLN A 4 -3.530 -16.399 8.097 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.648 -17.623 8.013 1.00 0.00 O ATOM 49 NE2 GLN A 4 -4.264 -15.699 8.946 1.00 0.00 N ATOM 0 H GLN A 4 1.004 -17.019 6.332 1.00 0.00 H new ATOM 0 HA GLN A 4 -0.955 -15.155 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.059 -17.192 7.136 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.737 -15.919 8.296 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.622 -14.582 7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.905 -15.761 6.150 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.153 -14.687 9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -4.941 -16.172 9.545 1.00 0.00 H new ATOM 58 N LEU A 5 -0.500 -12.956 6.521 1.00 0.00 N ATOM 59 CA LEU A 5 -0.213 -11.604 6.978 1.00 0.00 C ATOM 60 C LEU A 5 -1.499 -10.939 7.446 1.00 0.00 C ATOM 61 O LEU A 5 -2.609 -11.370 7.113 1.00 0.00 O ATOM 62 CB LEU A 5 0.457 -10.769 5.869 1.00 0.00 C ATOM 63 CG LEU A 5 1.808 -11.298 5.348 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.282 -10.416 4.187 1.00 0.00 C ATOM 65 CD2 LEU A 5 2.892 -11.306 6.427 1.00 0.00 C ATOM 0 H LEU A 5 -1.353 -13.005 5.964 1.00 0.00 H new ATOM 0 HA LEU A 5 0.486 -11.662 7.813 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.232 -10.699 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.606 -9.756 6.244 1.00 0.00 H new ATOM 0 HG LEU A 5 1.649 -12.327 5.026 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.237 -10.786 3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.545 -10.444 3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.401 -9.390 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.822 -11.688 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.049 -10.291 6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.579 -11.945 7.253 1.00 0.00 H new ATOM 77 N SER A 6 -1.338 -9.879 8.222 1.00 0.00 N ATOM 78 CA SER A 6 -2.368 -9.131 8.907 1.00 0.00 C ATOM 79 C SER A 6 -1.937 -7.667 8.890 1.00 0.00 C ATOM 80 O SER A 6 -0.736 -7.396 8.969 1.00 0.00 O ATOM 81 CB SER A 6 -2.468 -9.648 10.348 1.00 0.00 C ATOM 82 OG SER A 6 -1.273 -10.234 10.854 1.00 0.00 O ATOM 0 H SER A 6 -0.410 -9.494 8.400 1.00 0.00 H new ATOM 0 HA SER A 6 -3.342 -9.241 8.431 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.754 -8.821 10.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.269 -10.386 10.400 1.00 0.00 H new ATOM 0 HG SER A 6 -1.421 -10.535 11.775 1.00 0.00 H new ATOM 88 N LEU A 7 -2.885 -6.733 8.771 1.00 0.00 N ATOM 89 CA LEU A 7 -2.600 -5.297 8.781 1.00 0.00 C ATOM 90 C LEU A 7 -3.738 -4.537 9.458 1.00 0.00 C ATOM 91 O LEU A 7 -4.865 -5.031 9.427 1.00 0.00 O ATOM 92 CB LEU A 7 -2.449 -4.780 7.338 1.00 0.00 C ATOM 93 CG LEU A 7 -1.166 -5.237 6.631 1.00 0.00 C ATOM 94 CD1 LEU A 7 -1.196 -4.733 5.187 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.097 -4.708 7.330 1.00 0.00 C ATOM 0 H LEU A 7 -3.875 -6.953 8.665 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.673 -5.135 9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.308 -5.111 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.474 -3.690 7.351 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.128 -6.326 6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.289 -5.051 4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.067 -5.144 4.676 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.253 -3.645 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.981 -5.056 6.796 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.081 -3.618 7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.125 -5.074 8.356 1.00 0.00 H new ATOM 107 N PRO A 8 -3.490 -3.331 10.000 1.00 0.00 N ATOM 108 CA PRO A 8 -4.556 -2.427 10.414 1.00 0.00 C ATOM 109 C PRO A 8 -5.309 -1.924 9.178 1.00 0.00 C ATOM 110 O PRO A 8 -4.838 -2.048 8.041 1.00 0.00 O ATOM 111 CB PRO A 8 -3.851 -1.304 11.177 1.00 0.00 C ATOM 112 CG PRO A 8 -2.485 -1.215 10.507 1.00 0.00 C ATOM 113 CD PRO A 8 -2.198 -2.651 10.073 1.00 0.00 C ATOM 0 HA PRO A 8 -5.306 -2.900 11.048 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.397 -0.364 11.100 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.762 -1.535 12.238 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.501 -0.535 9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.725 -0.846 11.196 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.695 -2.670 9.106 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.539 -3.147 10.786 1.00 0.00 H new ATOM 121 N VAL A 9 -6.439 -1.263 9.388 1.00 0.00 N ATOM 122 CA VAL A 9 -7.204 -0.535 8.388 1.00 0.00 C ATOM 123 C VAL A 9 -7.450 0.843 8.984 1.00 0.00 C ATOM 124 O VAL A 9 -7.883 0.931 10.136 1.00 0.00 O ATOM 125 CB VAL A 9 -8.514 -1.255 8.023 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.111 -0.608 6.771 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.285 -2.746 7.724 1.00 0.00 C ATOM 0 H VAL A 9 -6.869 -1.219 10.312 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.659 -0.465 7.446 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.186 -1.168 8.877 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.040 -1.114 6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.315 0.445 6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.404 -0.693 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.235 -3.216 7.471 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.595 -2.847 6.886 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.862 -3.233 8.603 1.00 0.00 H new ATOM 137 N LEU A 10 -7.131 1.894 8.230 1.00 0.00 N ATOM 138 CA LEU A 10 -7.179 3.293 8.649 1.00 0.00 C ATOM 139 C LEU A 10 -8.222 3.986 7.768 1.00 0.00 C ATOM 140 O LEU A 10 -8.494 3.513 6.655 1.00 0.00 O ATOM 141 CB LEU A 10 -5.783 3.934 8.472 1.00 0.00 C ATOM 142 CG LEU A 10 -4.662 3.269 9.306 1.00 0.00 C ATOM 143 CD1 LEU A 10 -3.276 3.434 8.670 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.611 3.769 10.739 1.00 0.00 C ATOM 0 H LEU A 10 -6.817 1.788 7.265 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.453 3.390 9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.508 3.891 7.418 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.844 4.988 8.743 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.922 2.210 9.318 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.528 2.949 9.297 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.273 2.976 7.681 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.041 4.495 8.580 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.805 3.265 11.272 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.432 4.844 10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.560 3.557 11.232 1.00 0.00 H new ATOM 156 N GLN A 11 -8.815 5.091 8.234 1.00 0.00 N ATOM 157 CA GLN A 11 -9.607 5.921 7.335 1.00 0.00 C ATOM 158 C GLN A 11 -8.644 6.661 6.429 1.00 0.00 C ATOM 159 O GLN A 11 -7.632 7.169 6.903 1.00 0.00 O ATOM 160 CB GLN A 11 -10.489 6.943 8.068 1.00 0.00 C ATOM 161 CG GLN A 11 -11.642 6.282 8.813 1.00 0.00 C ATOM 162 CD GLN A 11 -12.929 7.095 8.725 1.00 0.00 C ATOM 163 OE1 GLN A 11 -13.043 8.206 9.234 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.923 6.581 8.026 1.00 0.00 N ATOM 0 H GLN A 11 -8.762 5.420 9.198 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.282 5.269 6.781 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.879 7.506 8.774 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.887 7.659 7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.814 5.287 8.402 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.368 6.151 9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.826 5.657 7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -14.789 7.107 7.908 1.00 0.00 H new ATOM 173 N VAL A 12 -9.007 6.842 5.163 1.00 0.00 N ATOM 174 CA VAL A 12 -8.238 7.608 4.196 1.00 0.00 C ATOM 175 C VAL A 12 -7.966 9.020 4.733 1.00 0.00 C ATOM 176 O VAL A 12 -6.909 9.598 4.476 1.00 0.00 O ATOM 177 CB VAL A 12 -8.998 7.573 2.852 1.00 0.00 C ATOM 178 CG1 VAL A 12 -10.406 8.204 2.887 1.00 0.00 C ATOM 179 CG2 VAL A 12 -8.155 8.196 1.740 1.00 0.00 C ATOM 0 H VAL A 12 -9.865 6.450 4.775 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.252 7.175 4.027 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.164 6.516 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.861 8.133 1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.025 7.673 3.611 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.328 9.252 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.708 8.162 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.930 9.233 1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.224 7.639 1.633 1.00 0.00 H new ATOM 189 N ARG A 13 -8.882 9.556 5.551 1.00 0.00 N ATOM 190 CA ARG A 13 -8.716 10.893 6.087 1.00 0.00 C ATOM 191 C ARG A 13 -7.626 10.951 7.151 1.00 0.00 C ATOM 192 O ARG A 13 -6.920 11.955 7.228 1.00 0.00 O ATOM 193 CB ARG A 13 -10.034 11.476 6.608 1.00 0.00 C ATOM 194 CG ARG A 13 -10.845 10.528 7.507 1.00 0.00 C ATOM 195 CD ARG A 13 -11.563 11.282 8.624 1.00 0.00 C ATOM 196 NE ARG A 13 -10.644 11.576 9.734 1.00 0.00 N ATOM 197 CZ ARG A 13 -10.364 12.768 10.267 1.00 0.00 C ATOM 198 NH1 ARG A 13 -10.580 13.885 9.586 1.00 0.00 N ATOM 199 NH2 ARG A 13 -9.887 12.834 11.501 1.00 0.00 N ATOM 0 H ARG A 13 -9.735 9.081 5.848 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.393 11.520 5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.817 12.387 7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.651 11.763 5.756 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.576 9.991 6.903 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.180 9.781 7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.977 12.212 8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.401 10.688 8.988 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.164 10.775 10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.965 13.841 8.642 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.361 14.789 10.006 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.736 11.979 12.036 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.670 13.740 11.916 1.00 0.00 H new ATOM 213 N ASP A 14 -7.446 9.891 7.933 1.00 0.00 N ATOM 214 CA ASP A 14 -6.514 9.893 9.056 1.00 0.00 C ATOM 215 C ASP A 14 -5.083 9.841 8.531 1.00 0.00 C ATOM 216 O ASP A 14 -4.170 10.422 9.116 1.00 0.00 O ATOM 217 CB ASP A 14 -6.776 8.695 9.983 1.00 0.00 C ATOM 218 CG ASP A 14 -7.922 8.936 10.966 1.00 0.00 C ATOM 219 OD1 ASP A 14 -8.959 9.521 10.590 1.00 0.00 O ATOM 220 OD2 ASP A 14 -7.822 8.481 12.127 1.00 0.00 O ATOM 0 H ASP A 14 -7.941 9.008 7.807 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.659 10.808 9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.003 7.818 9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.867 8.470 10.542 1.00 0.00 H new ATOM 225 N VAL A 15 -4.907 9.160 7.401 1.00 0.00 N ATOM 226 CA VAL A 15 -3.682 8.871 6.681 1.00 0.00 C ATOM 227 C VAL A 15 -3.135 10.116 5.984 1.00 0.00 C ATOM 228 O VAL A 15 -3.163 10.226 4.762 1.00 0.00 O ATOM 229 CB VAL A 15 -3.870 7.656 5.740 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.521 7.151 5.237 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.536 6.425 6.378 1.00 0.00 C ATOM 0 H VAL A 15 -5.711 8.756 6.920 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.914 8.581 7.398 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.518 8.048 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.675 6.297 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.016 7.946 4.689 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.907 6.848 6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.621 5.631 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.930 6.076 7.215 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.530 6.694 6.737 1.00 0.00 H new ATOM 241 N LEU A 16 -2.751 11.129 6.752 1.00 0.00 N ATOM 242 CA LEU A 16 -2.068 12.332 6.281 1.00 0.00 C ATOM 243 C LEU A 16 -1.107 12.111 5.110 1.00 0.00 C ATOM 244 O LEU A 16 -1.098 12.917 4.177 1.00 0.00 O ATOM 245 CB LEU A 16 -1.254 12.918 7.435 1.00 0.00 C ATOM 246 CG LEU A 16 -2.087 13.484 8.588 1.00 0.00 C ATOM 247 CD1 LEU A 16 -1.135 14.113 9.604 1.00 0.00 C ATOM 248 CD2 LEU A 16 -3.119 14.500 8.090 1.00 0.00 C ATOM 0 H LEU A 16 -2.912 11.137 7.759 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.856 12.996 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.596 12.142 7.827 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.615 13.710 7.044 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.650 12.679 9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.709 14.523 10.435 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.448 13.354 9.977 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.568 14.912 9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.692 14.881 8.935 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.607 15.326 7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.793 14.017 7.383 1.00 0.00 H new ATOM 260 N VAL A 17 -0.296 11.051 5.155 1.00 0.00 N ATOM 261 CA VAL A 17 0.571 10.665 4.054 1.00 0.00 C ATOM 262 C VAL A 17 0.245 9.229 3.667 1.00 0.00 C ATOM 263 O VAL A 17 0.481 8.297 4.436 1.00 0.00 O ATOM 264 CB VAL A 17 2.050 10.985 4.350 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.619 10.294 5.598 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.921 10.673 3.129 1.00 0.00 C ATOM 0 H VAL A 17 -0.227 10.436 5.966 1.00 0.00 H new ATOM 0 HA VAL A 17 0.381 11.266 3.165 1.00 0.00 H new ATOM 0 HB VAL A 17 2.075 12.053 4.569 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.664 10.578 5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.049 10.600 6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.549 9.213 5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.962 10.905 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.831 9.616 2.878 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.591 11.276 2.283 1.00 0.00 H new ATOM 276 N ARG A 18 -0.399 9.066 2.509 1.00 0.00 N ATOM 277 CA ARG A 18 -0.834 7.766 1.988 1.00 0.00 C ATOM 278 C ARG A 18 0.276 7.096 1.188 1.00 0.00 C ATOM 279 O ARG A 18 0.266 5.882 1.008 1.00 0.00 O ATOM 280 CB ARG A 18 -2.118 7.862 1.166 1.00 0.00 C ATOM 281 CG ARG A 18 -3.179 8.760 1.813 1.00 0.00 C ATOM 282 CD ARG A 18 -3.009 10.176 1.275 1.00 0.00 C ATOM 283 NE ARG A 18 -3.457 11.225 2.188 1.00 0.00 N ATOM 284 CZ ARG A 18 -3.453 12.540 1.940 1.00 0.00 C ATOM 285 NH1 ARG A 18 -2.881 13.004 0.836 1.00 0.00 N ATOM 286 NH2 ARG A 18 -4.021 13.380 2.794 1.00 0.00 N ATOM 0 H ARG A 18 -0.637 9.846 1.896 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.060 7.143 2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.880 8.247 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.531 6.862 1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.178 8.387 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.072 8.752 2.898 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.957 10.339 1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.561 10.265 0.339 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.805 10.927 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.445 12.358 0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.877 14.006 0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.462 13.024 3.642 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.017 14.382 2.603 1.00 0.00 H new ATOM 300 N GLY A 19 1.238 7.882 0.714 1.00 0.00 N ATOM 301 CA GLY A 19 2.274 7.443 -0.184 1.00 0.00 C ATOM 302 C GLY A 19 3.407 6.839 0.612 1.00 0.00 C ATOM 303 O GLY A 19 3.792 7.364 1.655 1.00 0.00 O ATOM 0 H GLY A 19 1.311 8.870 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.876 6.709 -0.885 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.638 8.283 -0.775 1.00 0.00 H new ATOM 307 N PHE A 20 4.007 5.792 0.067 1.00 0.00 N ATOM 308 CA PHE A 20 5.389 5.470 0.380 1.00 0.00 C ATOM 309 C PHE A 20 6.369 6.287 -0.460 1.00 0.00 C ATOM 310 O PHE A 20 7.516 6.469 -0.051 1.00 0.00 O ATOM 311 CB PHE A 20 5.621 3.988 0.176 1.00 0.00 C ATOM 312 CG PHE A 20 4.674 3.079 0.920 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.472 3.239 2.300 1.00 0.00 C ATOM 314 CD2 PHE A 20 4.049 2.023 0.238 1.00 0.00 C ATOM 315 CE1 PHE A 20 3.637 2.341 2.981 1.00 0.00 C ATOM 316 CE2 PHE A 20 3.188 1.148 0.919 1.00 0.00 C ATOM 317 CZ PHE A 20 2.982 1.308 2.298 1.00 0.00 C ATOM 0 H PHE A 20 3.560 5.154 -0.591 1.00 0.00 H new ATOM 0 HA PHE A 20 5.570 5.728 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.547 3.769 -0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.640 3.751 0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.955 4.045 2.832 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.232 1.883 -0.817 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.497 2.447 4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.686 0.355 0.384 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.322 0.638 2.830 1.00 0.00 H new ATOM 327 N GLY A 21 5.926 6.800 -1.608 1.00 0.00 N ATOM 328 CA GLY A 21 6.803 7.268 -2.672 1.00 0.00 C ATOM 329 C GLY A 21 6.104 8.246 -3.592 1.00 0.00 C ATOM 330 O GLY A 21 5.057 8.798 -3.236 1.00 0.00 O ATOM 0 H GLY A 21 4.934 6.902 -1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.681 7.744 -2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.158 6.415 -3.251 1.00 0.00 H new ATOM 334 N ASP A 22 6.710 8.470 -4.760 1.00 0.00 N ATOM 335 CA ASP A 22 6.215 9.396 -5.783 1.00 0.00 C ATOM 336 C ASP A 22 6.308 8.825 -7.207 1.00 0.00 C ATOM 337 O ASP A 22 5.862 9.473 -8.155 1.00 0.00 O ATOM 338 CB ASP A 22 6.943 10.748 -5.668 1.00 0.00 C ATOM 339 CG ASP A 22 5.937 11.886 -5.509 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.418 12.403 -6.526 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.687 12.287 -4.351 1.00 0.00 O ATOM 0 H ASP A 22 7.577 8.003 -5.027 1.00 0.00 H new ATOM 0 HA ASP A 22 5.152 9.549 -5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.620 10.731 -4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.553 10.916 -6.555 1.00 0.00 H new ATOM 346 N SER A 23 6.819 7.597 -7.360 1.00 0.00 N ATOM 347 CA SER A 23 6.707 6.790 -8.573 1.00 0.00 C ATOM 348 C SER A 23 6.247 5.380 -8.174 1.00 0.00 C ATOM 349 O SER A 23 6.402 5.000 -7.012 1.00 0.00 O ATOM 350 CB SER A 23 8.052 6.728 -9.305 1.00 0.00 C ATOM 351 OG SER A 23 8.550 8.017 -9.627 1.00 0.00 O ATOM 0 H SER A 23 7.337 7.127 -6.618 1.00 0.00 H new ATOM 0 HA SER A 23 5.982 7.240 -9.251 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.778 6.206 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.939 6.146 -10.220 1.00 0.00 H new ATOM 0 HG SER A 23 9.409 7.929 -10.091 1.00 0.00 H new ATOM 357 N VAL A 24 5.693 4.581 -9.094 1.00 0.00 N ATOM 358 CA VAL A 24 5.126 3.283 -8.784 1.00 0.00 C ATOM 359 C VAL A 24 6.147 2.370 -8.153 1.00 0.00 C ATOM 360 O VAL A 24 5.879 1.780 -7.113 1.00 0.00 O ATOM 361 CB VAL A 24 4.469 2.664 -10.019 1.00 0.00 C ATOM 362 CG1 VAL A 24 3.373 3.557 -10.549 1.00 0.00 C ATOM 363 CG2 VAL A 24 5.398 2.309 -11.177 1.00 0.00 C ATOM 0 H VAL A 24 5.630 4.829 -10.081 1.00 0.00 H new ATOM 0 HA VAL A 24 4.340 3.424 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 24 4.082 1.717 -9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.921 3.096 -11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.613 3.696 -9.780 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.793 4.525 -10.823 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.816 1.879 -11.992 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.903 3.209 -11.528 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.140 1.585 -10.840 1.00 0.00 H new ATOM 373 N GLU A 25 7.306 2.241 -8.786 1.00 0.00 N ATOM 374 CA GLU A 25 8.239 1.215 -8.395 1.00 0.00 C ATOM 375 C GLU A 25 8.927 1.578 -7.083 1.00 0.00 C ATOM 376 O GLU A 25 9.286 0.673 -6.334 1.00 0.00 O ATOM 377 CB GLU A 25 9.235 0.966 -9.528 1.00 0.00 C ATOM 378 CG GLU A 25 8.579 0.169 -10.668 1.00 0.00 C ATOM 379 CD GLU A 25 9.536 -0.787 -11.385 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.681 -0.412 -11.732 1.00 0.00 O ATOM 381 OE2 GLU A 25 9.115 -1.932 -11.665 1.00 0.00 O ATOM 0 H GLU A 25 7.612 2.830 -9.561 1.00 0.00 H new ATOM 0 HA GLU A 25 7.701 0.284 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.604 1.918 -9.910 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.098 0.420 -9.146 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.744 -0.403 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.165 0.867 -11.396 1.00 0.00 H new ATOM 388 N GLU A 26 9.009 2.874 -6.779 1.00 0.00 N ATOM 389 CA GLU A 26 9.437 3.385 -5.488 1.00 0.00 C ATOM 390 C GLU A 26 8.505 2.865 -4.406 1.00 0.00 C ATOM 391 O GLU A 26 8.922 2.081 -3.553 1.00 0.00 O ATOM 392 CB GLU A 26 9.466 4.925 -5.491 1.00 0.00 C ATOM 393 CG GLU A 26 10.545 5.478 -6.424 1.00 0.00 C ATOM 394 CD GLU A 26 11.942 4.905 -6.140 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.289 4.634 -4.963 1.00 0.00 O ATOM 396 OE2 GLU A 26 12.681 4.668 -7.120 1.00 0.00 O ATOM 0 H GLU A 26 8.773 3.611 -7.444 1.00 0.00 H new ATOM 0 HA GLU A 26 10.450 3.037 -5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.492 5.305 -5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.644 5.286 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.272 5.258 -7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.578 6.563 -6.328 1.00 0.00 H new ATOM 403 N ALA A 27 7.232 3.252 -4.489 1.00 0.00 N ATOM 404 CA ALA A 27 6.249 2.902 -3.484 1.00 0.00 C ATOM 405 C ALA A 27 6.145 1.378 -3.373 1.00 0.00 C ATOM 406 O ALA A 27 6.004 0.862 -2.269 1.00 0.00 O ATOM 407 CB ALA A 27 4.906 3.552 -3.838 1.00 0.00 C ATOM 0 H ALA A 27 6.862 3.815 -5.255 1.00 0.00 H new ATOM 0 HA ALA A 27 6.553 3.280 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.165 3.290 -3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.023 4.635 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.574 3.194 -4.812 1.00 0.00 H new ATOM 413 N LEU A 28 6.251 0.642 -4.488 1.00 0.00 N ATOM 414 CA LEU A 28 6.224 -0.817 -4.465 1.00 0.00 C ATOM 415 C LEU A 28 7.428 -1.417 -3.722 1.00 0.00 C ATOM 416 O LEU A 28 7.255 -2.391 -2.981 1.00 0.00 O ATOM 417 CB LEU A 28 6.144 -1.366 -5.899 1.00 0.00 C ATOM 418 CG LEU A 28 5.085 -2.467 -6.058 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.115 -2.988 -7.496 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.265 -3.637 -5.098 1.00 0.00 C ATOM 0 H LEU A 28 6.357 1.042 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 28 5.333 -1.117 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.917 -0.549 -6.584 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.118 -1.761 -6.186 1.00 0.00 H new ATOM 0 HG LEU A 28 4.124 -2.012 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.365 -3.770 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.899 -2.170 -8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.102 -3.395 -7.715 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.480 -4.373 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.238 -4.098 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.205 -3.277 -4.071 1.00 0.00 H new ATOM 432 N SER A 29 8.638 -0.864 -3.896 1.00 0.00 N ATOM 433 CA SER A 29 9.806 -1.285 -3.121 1.00 0.00 C ATOM 434 C SER A 29 9.502 -1.110 -1.644 1.00 0.00 C ATOM 435 O SER A 29 9.544 -2.091 -0.891 1.00 0.00 O ATOM 436 CB SER A 29 11.074 -0.481 -3.460 1.00 0.00 C ATOM 437 OG SER A 29 11.809 -1.105 -4.498 1.00 0.00 O ATOM 0 H SER A 29 8.829 -0.122 -4.570 1.00 0.00 H new ATOM 0 HA SER A 29 10.003 -2.327 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.798 0.529 -3.762 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.699 -0.389 -2.572 1.00 0.00 H new ATOM 0 HG SER A 29 12.609 -0.575 -4.697 1.00 0.00 H new ATOM 443 N GLU A 30 9.190 0.125 -1.252 1.00 0.00 N ATOM 444 CA GLU A 30 8.952 0.465 0.136 1.00 0.00 C ATOM 445 C GLU A 30 7.864 -0.425 0.704 1.00 0.00 C ATOM 446 O GLU A 30 8.032 -0.900 1.817 1.00 0.00 O ATOM 447 CB GLU A 30 8.486 1.917 0.258 1.00 0.00 C ATOM 448 CG GLU A 30 9.454 2.971 -0.267 1.00 0.00 C ATOM 449 CD GLU A 30 10.893 2.830 0.232 1.00 0.00 C ATOM 450 OE1 GLU A 30 11.079 2.638 1.455 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.835 3.006 -0.578 1.00 0.00 O ATOM 0 H GLU A 30 9.097 0.912 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 30 9.884 0.327 0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.541 2.021 -0.275 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.285 2.127 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.457 2.930 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.082 3.956 0.014 1.00 0.00 H new ATOM 458 N ALA A 31 6.790 -0.699 -0.046 1.00 0.00 N ATOM 459 CA ALA A 31 5.674 -1.514 0.412 1.00 0.00 C ATOM 460 C ALA A 31 6.188 -2.834 0.952 1.00 0.00 C ATOM 461 O ALA A 31 5.986 -3.158 2.123 1.00 0.00 O ATOM 462 CB ALA A 31 4.659 -1.694 -0.708 1.00 0.00 C ATOM 0 H ALA A 31 6.676 -0.354 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 31 5.158 -1.009 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.830 -2.305 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.284 -0.719 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.136 -2.187 -1.555 1.00 0.00 H new ATOM 468 N ARG A 32 6.926 -3.575 0.126 1.00 0.00 N ATOM 469 CA ARG A 32 7.502 -4.867 0.500 1.00 0.00 C ATOM 470 C ARG A 32 8.448 -4.749 1.695 1.00 0.00 C ATOM 471 O ARG A 32 8.720 -5.746 2.371 1.00 0.00 O ATOM 472 CB ARG A 32 8.252 -5.456 -0.706 1.00 0.00 C ATOM 473 CG ARG A 32 7.412 -5.602 -1.988 1.00 0.00 C ATOM 474 CD ARG A 32 8.288 -5.588 -3.247 1.00 0.00 C ATOM 475 NE ARG A 32 9.087 -6.816 -3.394 1.00 0.00 N ATOM 476 CZ ARG A 32 8.621 -8.031 -3.708 1.00 0.00 C ATOM 477 NH1 ARG A 32 7.350 -8.206 -4.050 1.00 0.00 N ATOM 478 NH2 ARG A 32 9.437 -9.072 -3.693 1.00 0.00 N ATOM 0 H ARG A 32 7.143 -3.293 -0.830 1.00 0.00 H new ATOM 0 HA ARG A 32 6.686 -5.527 0.795 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.112 -4.823 -0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.639 -6.437 -0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.847 -6.533 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.686 -4.791 -2.041 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.654 -5.464 -4.125 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.955 -4.727 -3.211 1.00 0.00 H new ATOM 0 HE ARG A 32 10.092 -6.733 -3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.714 -7.409 -4.076 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.009 -9.138 -4.287 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.418 -8.948 -3.443 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.085 -9.999 -3.932 1.00 0.00 H new ATOM 492 N GLU A 33 8.939 -3.546 1.967 1.00 0.00 N ATOM 493 CA GLU A 33 9.734 -3.197 3.114 1.00 0.00 C ATOM 494 C GLU A 33 8.881 -2.896 4.348 1.00 0.00 C ATOM 495 O GLU A 33 9.054 -3.589 5.354 1.00 0.00 O ATOM 496 CB GLU A 33 10.702 -2.055 2.727 1.00 0.00 C ATOM 497 CG GLU A 33 12.055 -2.648 2.370 1.00 0.00 C ATOM 498 CD GLU A 33 12.881 -1.886 1.331 1.00 0.00 C ATOM 499 OE1 GLU A 33 12.776 -2.209 0.122 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.803 -1.138 1.721 1.00 0.00 O ATOM 0 H GLU A 33 8.778 -2.749 1.351 1.00 0.00 H new ATOM 0 HA GLU A 33 10.334 -4.056 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.303 -1.494 1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.806 -1.354 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.645 -2.727 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.897 -3.662 2.003 1.00 0.00 H new ATOM 507 N HIS A 34 7.968 -1.914 4.328 1.00 0.00 N ATOM 508 CA HIS A 34 7.214 -1.530 5.516 1.00 0.00 C ATOM 509 C HIS A 34 6.334 -2.692 5.942 1.00 0.00 C ATOM 510 O HIS A 34 6.070 -2.837 7.131 1.00 0.00 O ATOM 511 CB HIS A 34 6.297 -0.328 5.315 1.00 0.00 C ATOM 512 CG HIS A 34 6.905 1.036 5.099 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.090 1.368 4.471 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.201 2.197 5.281 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.098 2.698 4.290 1.00 0.00 C ATOM 516 NE2 HIS A 34 6.971 3.248 4.777 1.00 0.00 N ATOM 0 H HIS A 34 7.738 -1.373 3.495 1.00 0.00 H new ATOM 0 HA HIS A 34 7.960 -1.260 6.264 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.659 -0.542 4.457 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.647 -0.262 6.187 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.224 2.284 5.734 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.898 3.250 3.819 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.727 4.238 4.778 1.00 0.00 H new ATOM 524 N LEU A 35 5.897 -3.514 4.983 1.00 0.00 N ATOM 525 CA LEU A 35 5.110 -4.698 5.241 1.00 0.00 C ATOM 526 C LEU A 35 5.847 -5.556 6.267 1.00 0.00 C ATOM 527 O LEU A 35 5.383 -5.735 7.389 1.00 0.00 O ATOM 528 CB LEU A 35 4.871 -5.486 3.939 1.00 0.00 C ATOM 529 CG LEU A 35 3.729 -4.879 3.115 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.715 -5.371 1.674 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.380 -5.254 3.698 1.00 0.00 C ATOM 0 H LEU A 35 6.090 -3.362 3.993 1.00 0.00 H new ATOM 0 HA LEU A 35 4.134 -4.414 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.785 -5.494 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.637 -6.523 4.178 1.00 0.00 H new ATOM 0 HG LEU A 35 3.900 -3.803 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.886 -4.908 1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.654 -5.103 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.596 -6.454 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.587 -4.811 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.273 -6.339 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.309 -4.882 4.720 1.00 0.00 H new ATOM 543 N LYS A 36 7.041 -6.020 5.894 1.00 0.00 N ATOM 544 CA LYS A 36 7.893 -6.895 6.684 1.00 0.00 C ATOM 545 C LYS A 36 8.333 -6.198 7.969 1.00 0.00 C ATOM 546 O LYS A 36 8.374 -6.845 9.020 1.00 0.00 O ATOM 547 CB LYS A 36 9.044 -7.332 5.767 1.00 0.00 C ATOM 548 CG LYS A 36 9.834 -8.560 6.235 1.00 0.00 C ATOM 549 CD LYS A 36 10.847 -8.355 7.371 1.00 0.00 C ATOM 550 CE LYS A 36 11.771 -7.151 7.168 1.00 0.00 C ATOM 551 NZ LYS A 36 12.747 -7.334 6.078 1.00 0.00 N ATOM 0 H LYS A 36 7.454 -5.782 4.992 1.00 0.00 H new ATOM 0 HA LYS A 36 7.371 -7.788 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.637 -7.539 4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.736 -6.497 5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.120 -9.319 6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.368 -8.965 5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.306 -8.231 8.309 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.455 -9.255 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.165 -6.270 6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.308 -6.955 8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.339 -6.483 5.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.349 -8.156 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.242 -7.492 5.183 1.00 0.00 H new ATOM 565 N ASN A 37 8.625 -4.894 7.909 1.00 0.00 N ATOM 566 CA ASN A 37 8.911 -4.071 9.085 1.00 0.00 C ATOM 567 C ASN A 37 7.712 -4.013 10.044 1.00 0.00 C ATOM 568 O ASN A 37 7.900 -3.693 11.215 1.00 0.00 O ATOM 569 CB ASN A 37 9.255 -2.624 8.692 1.00 0.00 C ATOM 570 CG ASN A 37 10.586 -2.422 7.985 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.622 -2.894 8.433 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.631 -1.662 6.901 1.00 0.00 N ATOM 0 H ASN A 37 8.669 -4.376 7.031 1.00 0.00 H new ATOM 0 HA ASN A 37 9.762 -4.542 9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.462 -2.246 8.046 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.249 -2.013 9.594 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.525 -1.474 6.446 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.772 -1.265 6.521 1.00 0.00 H new ATOM 579 N GLY A 38 6.489 -4.291 9.580 1.00 0.00 N ATOM 580 CA GLY A 38 5.258 -4.186 10.349 1.00 0.00 C ATOM 581 C GLY A 38 4.694 -2.763 10.383 1.00 0.00 C ATOM 582 O GLY A 38 3.725 -2.523 11.098 1.00 0.00 O ATOM 0 H GLY A 38 6.330 -4.606 8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.512 -4.857 9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.444 -4.522 11.369 1.00 0.00 H new ATOM 586 N THR A 39 5.246 -1.815 9.623 1.00 0.00 N ATOM 587 CA THR A 39 4.988 -0.379 9.758 1.00 0.00 C ATOM 588 C THR A 39 4.200 0.117 8.554 1.00 0.00 C ATOM 589 O THR A 39 4.362 1.246 8.077 1.00 0.00 O ATOM 590 CB THR A 39 6.363 0.313 9.892 1.00 0.00 C ATOM 591 OG1 THR A 39 7.194 -0.054 8.806 1.00 0.00 O ATOM 592 CG2 THR A 39 7.124 -0.076 11.159 1.00 0.00 C ATOM 0 H THR A 39 5.904 -2.031 8.874 1.00 0.00 H new ATOM 0 HA THR A 39 4.384 -0.152 10.636 1.00 0.00 H new ATOM 0 HB THR A 39 6.146 1.381 9.919 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.064 0.389 8.895 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.079 0.448 11.185 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.536 0.198 12.035 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.300 -1.152 11.162 1.00 0.00 H new ATOM 600 N CYS A 40 3.265 -0.706 8.090 1.00 0.00 N ATOM 601 CA CYS A 40 2.433 -0.389 6.956 1.00 0.00 C ATOM 602 C CYS A 40 0.999 -0.633 7.428 1.00 0.00 C ATOM 603 O CYS A 40 0.774 -1.309 8.446 1.00 0.00 O ATOM 604 CB CYS A 40 2.870 -1.271 5.773 1.00 0.00 C ATOM 605 SG CYS A 40 1.866 -2.728 5.559 1.00 0.00 S ATOM 0 H CYS A 40 3.069 -1.619 8.501 1.00 0.00 H new ATOM 0 HA CYS A 40 2.516 0.639 6.604 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.837 -0.680 4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.907 -1.573 5.920 1.00 0.00 H new ATOM 0 HG CYS A 40 0.632 -2.378 5.348 1.00 0.00 H new ATOM 611 N GLY A 41 0.037 -0.124 6.672 1.00 0.00 N ATOM 612 CA GLY A 41 -1.369 -0.352 6.886 1.00 0.00 C ATOM 613 C GLY A 41 -2.086 -0.463 5.534 1.00 0.00 C ATOM 614 O GLY A 41 -1.473 -0.311 4.476 1.00 0.00 O ATOM 0 H GLY A 41 0.228 0.477 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.516 -1.265 7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.795 0.465 7.469 1.00 0.00 H new ATOM 618 N LEU A 42 -3.383 -0.753 5.564 1.00 0.00 N ATOM 619 CA LEU A 42 -4.311 -0.812 4.441 1.00 0.00 C ATOM 620 C LEU A 42 -5.307 0.350 4.517 1.00 0.00 C ATOM 621 O LEU A 42 -5.749 0.717 5.607 1.00 0.00 O ATOM 622 CB LEU A 42 -5.059 -2.159 4.547 1.00 0.00 C ATOM 623 CG LEU A 42 -5.946 -2.515 3.342 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.081 -2.905 2.138 1.00 0.00 C ATOM 625 CD2 LEU A 42 -6.889 -3.678 3.700 1.00 0.00 C ATOM 0 H LEU A 42 -3.849 -0.970 6.445 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.780 -0.734 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.325 -2.953 4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.681 -2.141 5.442 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.541 -1.639 3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.724 -3.154 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.435 -2.070 1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.468 -3.769 2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.511 -3.920 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.300 -4.552 3.979 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.524 -3.387 4.536 1.00 0.00 H new ATOM 637 N VAL A 43 -5.742 0.839 3.361 1.00 0.00 N ATOM 638 CA VAL A 43 -6.906 1.687 3.152 1.00 0.00 C ATOM 639 C VAL A 43 -7.766 0.960 2.119 1.00 0.00 C ATOM 640 O VAL A 43 -7.240 0.430 1.135 1.00 0.00 O ATOM 641 CB VAL A 43 -6.424 3.079 2.697 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.523 3.937 2.053 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.871 3.861 3.892 1.00 0.00 C ATOM 0 H VAL A 43 -5.256 0.639 2.487 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.502 1.856 4.049 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.659 2.888 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.107 4.901 1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.914 3.427 1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.329 4.093 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.533 4.843 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.653 3.981 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.032 3.317 4.326 1.00 0.00 H new ATOM 653 N GLU A 44 -9.074 0.865 2.359 1.00 0.00 N ATOM 654 CA GLU A 44 -9.982 0.169 1.454 1.00 0.00 C ATOM 655 C GLU A 44 -10.367 1.097 0.292 1.00 0.00 C ATOM 656 O GLU A 44 -10.286 2.322 0.407 1.00 0.00 O ATOM 657 CB GLU A 44 -11.213 -0.325 2.221 1.00 0.00 C ATOM 658 CG GLU A 44 -10.869 -1.308 3.350 1.00 0.00 C ATOM 659 CD GLU A 44 -12.120 -1.766 4.102 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.025 -2.358 3.477 1.00 0.00 O ATOM 661 OE2 GLU A 44 -12.198 -1.586 5.338 1.00 0.00 O ATOM 0 H GLU A 44 -9.529 1.265 3.180 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.485 -0.705 1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.739 0.532 2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.898 -0.808 1.524 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.357 -2.175 2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.178 -0.834 4.047 1.00 0.00 H new ATOM 668 N LEU A 45 -10.764 0.522 -0.845 1.00 0.00 N ATOM 669 CA LEU A 45 -10.942 1.272 -2.088 1.00 0.00 C ATOM 670 C LEU A 45 -12.361 1.800 -2.236 1.00 0.00 C ATOM 671 O LEU A 45 -13.203 1.190 -2.902 1.00 0.00 O ATOM 672 CB LEU A 45 -10.500 0.432 -3.297 1.00 0.00 C ATOM 673 CG LEU A 45 -9.008 0.629 -3.603 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.540 -0.484 -4.538 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.764 1.997 -4.256 1.00 0.00 C ATOM 0 H LEU A 45 -10.970 -0.473 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.297 2.150 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.696 -0.622 -3.100 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.091 0.709 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.445 0.591 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.481 -0.351 -4.760 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.692 -1.451 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.113 -0.446 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.701 2.116 -4.464 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.326 2.061 -5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.092 2.787 -3.580 1.00 0.00 H new ATOM 687 N GLU A 46 -12.616 2.970 -1.656 1.00 0.00 N ATOM 688 CA GLU A 46 -13.914 3.618 -1.766 1.00 0.00 C ATOM 689 C GLU A 46 -14.046 4.331 -3.118 1.00 0.00 C ATOM 690 O GLU A 46 -13.059 4.676 -3.779 1.00 0.00 O ATOM 691 CB GLU A 46 -14.134 4.664 -0.663 1.00 0.00 C ATOM 692 CG GLU A 46 -13.917 4.156 0.767 1.00 0.00 C ATOM 693 CD GLU A 46 -13.859 5.282 1.806 1.00 0.00 C ATOM 694 OE1 GLU A 46 -14.182 6.449 1.492 1.00 0.00 O ATOM 695 OE2 GLU A 46 -13.489 4.987 2.967 1.00 0.00 O ATOM 0 H GLU A 46 -11.934 3.489 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.660 2.830 -1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.461 5.503 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.151 5.048 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.723 3.471 1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.989 3.586 0.806 1.00 0.00 H new ATOM 702 N LYS A 47 -15.291 4.676 -3.450 1.00 0.00 N ATOM 703 CA LYS A 47 -15.714 5.474 -4.598 1.00 0.00 C ATOM 704 C LYS A 47 -14.891 6.760 -4.748 1.00 0.00 C ATOM 705 O LYS A 47 -14.555 7.150 -5.873 1.00 0.00 O ATOM 706 CB LYS A 47 -17.210 5.776 -4.387 1.00 0.00 C ATOM 707 CG LYS A 47 -17.908 6.424 -5.586 1.00 0.00 C ATOM 708 CD LYS A 47 -18.227 5.418 -6.694 1.00 0.00 C ATOM 709 CE LYS A 47 -18.657 6.162 -7.958 1.00 0.00 C ATOM 710 NZ LYS A 47 -19.227 5.249 -8.965 1.00 0.00 N ATOM 0 H LYS A 47 -16.086 4.383 -2.882 1.00 0.00 H new ATOM 0 HA LYS A 47 -15.551 4.925 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.724 4.846 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.316 6.433 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.832 6.897 -5.252 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -17.273 7.213 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.352 4.803 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -19.020 4.744 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.394 6.923 -7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.798 6.682 -8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.506 5.792 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.516 4.538 -9.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.062 4.772 -8.568 1.00 0.00 H new ATOM 724 N GLY A 48 -14.560 7.403 -3.627 1.00 0.00 N ATOM 725 CA GLY A 48 -13.882 8.685 -3.571 1.00 0.00 C ATOM 726 C GLY A 48 -12.467 8.598 -3.011 1.00 0.00 C ATOM 727 O GLY A 48 -11.923 9.640 -2.664 1.00 0.00 O ATOM 0 H GLY A 48 -14.768 7.025 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.842 9.111 -4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.466 9.370 -2.957 1.00 0.00 H new ATOM 731 N VAL A 49 -11.854 7.415 -2.883 1.00 0.00 N ATOM 732 CA VAL A 49 -10.533 7.276 -2.257 1.00 0.00 C ATOM 733 C VAL A 49 -9.399 7.688 -3.173 1.00 0.00 C ATOM 734 O VAL A 49 -8.554 8.467 -2.755 1.00 0.00 O ATOM 735 CB VAL A 49 -10.381 5.839 -1.716 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.986 5.199 -1.754 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.837 5.802 -0.250 1.00 0.00 C ATOM 0 H VAL A 49 -12.255 6.535 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.468 7.971 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.992 5.256 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.037 4.191 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.635 5.152 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.294 5.799 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.732 4.789 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.222 6.482 0.340 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.881 6.109 -0.186 1.00 0.00 H new ATOM 747 N LEU A 50 -9.350 7.199 -4.407 1.00 0.00 N ATOM 748 CA LEU A 50 -8.253 7.521 -5.315 1.00 0.00 C ATOM 749 C LEU A 50 -8.023 9.041 -5.462 1.00 0.00 C ATOM 750 O LEU A 50 -6.875 9.460 -5.322 1.00 0.00 O ATOM 751 CB LEU A 50 -8.519 6.865 -6.670 1.00 0.00 C ATOM 752 CG LEU A 50 -8.089 5.387 -6.807 1.00 0.00 C ATOM 753 CD1 LEU A 50 -7.858 5.068 -8.287 1.00 0.00 C ATOM 754 CD2 LEU A 50 -6.856 4.958 -6.005 1.00 0.00 C ATOM 0 H LEU A 50 -10.056 6.578 -4.802 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.332 7.124 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.586 6.932 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.006 7.444 -7.438 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.913 4.818 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.554 4.026 -8.392 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.780 5.235 -8.843 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.075 5.716 -8.681 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.655 3.902 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.995 5.549 -6.317 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.039 5.118 -4.942 1.00 0.00 H new ATOM 766 N PRO A 51 -9.050 9.901 -5.640 1.00 0.00 N ATOM 767 CA PRO A 51 -8.866 11.351 -5.687 1.00 0.00 C ATOM 768 C PRO A 51 -8.563 11.982 -4.304 1.00 0.00 C ATOM 769 O PRO A 51 -8.666 13.202 -4.148 1.00 0.00 O ATOM 770 CB PRO A 51 -10.143 11.887 -6.347 1.00 0.00 C ATOM 771 CG PRO A 51 -11.228 10.887 -5.960 1.00 0.00 C ATOM 772 CD PRO A 51 -10.472 9.588 -5.681 1.00 0.00 C ATOM 0 HA PRO A 51 -7.980 11.624 -6.261 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.382 12.889 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.032 11.952 -7.429 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.780 11.221 -5.082 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.954 10.759 -6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.795 9.154 -4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.679 8.851 -6.457 1.00 0.00 H new ATOM 780 N GLN A 52 -8.235 11.181 -3.281 1.00 0.00 N ATOM 781 CA GLN A 52 -7.748 11.584 -1.961 1.00 0.00 C ATOM 782 C GLN A 52 -6.412 10.892 -1.610 1.00 0.00 C ATOM 783 O GLN A 52 -5.818 11.223 -0.580 1.00 0.00 O ATOM 784 CB GLN A 52 -8.797 11.272 -0.873 1.00 0.00 C ATOM 785 CG GLN A 52 -10.130 11.999 -1.085 1.00 0.00 C ATOM 786 CD GLN A 52 -11.121 11.750 0.051 1.00 0.00 C ATOM 787 OE1 GLN A 52 -11.003 12.286 1.151 1.00 0.00 O ATOM 788 NE2 GLN A 52 -12.122 10.923 -0.176 1.00 0.00 N ATOM 0 H GLN A 52 -8.309 10.167 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.576 12.660 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.978 10.197 -0.851 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.392 11.548 0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.946 13.070 -1.174 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.572 11.673 -2.026 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.219 10.479 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.799 10.727 0.561 1.00 0.00 H new ATOM 797 N LEU A 53 -5.926 9.955 -2.430 1.00 0.00 N ATOM 798 CA LEU A 53 -4.629 9.276 -2.321 1.00 0.00 C ATOM 799 C LEU A 53 -3.590 10.089 -3.100 1.00 0.00 C ATOM 800 O LEU A 53 -3.916 11.138 -3.660 1.00 0.00 O ATOM 801 CB LEU A 53 -4.791 7.822 -2.812 1.00 0.00 C ATOM 802 CG LEU A 53 -5.361 6.814 -1.781 1.00 0.00 C ATOM 803 CD1 LEU A 53 -4.263 5.998 -1.100 1.00 0.00 C ATOM 804 CD2 LEU A 53 -6.175 7.408 -0.634 1.00 0.00 C ATOM 0 H LEU A 53 -6.459 9.630 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.275 9.218 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.443 7.825 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.817 7.461 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.017 6.215 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.712 5.307 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.709 5.435 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.583 6.669 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.520 6.607 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.552 8.098 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.035 7.943 -1.037 1.00 0.00 H new ATOM 816 N GLU A 54 -2.332 9.662 -3.061 1.00 0.00 N ATOM 817 CA GLU A 54 -1.226 10.244 -3.821 1.00 0.00 C ATOM 818 C GLU A 54 -1.398 9.979 -5.314 1.00 0.00 C ATOM 819 O GLU A 54 -2.055 10.761 -5.996 1.00 0.00 O ATOM 820 CB GLU A 54 0.159 9.916 -3.295 1.00 0.00 C ATOM 821 CG GLU A 54 0.203 8.791 -2.316 1.00 0.00 C ATOM 822 CD GLU A 54 -0.416 7.487 -2.818 1.00 0.00 C ATOM 823 OE1 GLU A 54 0.010 7.006 -3.885 1.00 0.00 O ATOM 824 OE2 GLU A 54 -1.433 7.096 -2.201 1.00 0.00 O ATOM 0 H GLU A 54 -2.042 8.875 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.286 11.321 -3.668 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.805 9.671 -4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.574 10.807 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.242 8.604 -2.044 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.314 9.097 -1.407 1.00 0.00 H new ATOM 831 N GLN A 55 -0.801 8.903 -5.820 1.00 0.00 N ATOM 832 CA GLN A 55 -0.688 8.588 -7.225 1.00 0.00 C ATOM 833 C GLN A 55 -0.194 7.147 -7.379 1.00 0.00 C ATOM 834 O GLN A 55 -0.969 6.375 -7.926 1.00 0.00 O ATOM 835 CB GLN A 55 0.245 9.577 -7.943 1.00 0.00 C ATOM 836 CG GLN A 55 -0.477 10.728 -8.664 1.00 0.00 C ATOM 837 CD GLN A 55 0.013 10.889 -10.097 1.00 0.00 C ATOM 838 OE1 GLN A 55 0.720 11.835 -10.445 1.00 0.00 O ATOM 839 NE2 GLN A 55 -0.367 9.976 -10.978 1.00 0.00 N ATOM 0 H GLN A 55 -0.365 8.199 -5.225 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.669 8.680 -7.692 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.936 9.999 -7.214 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.844 9.029 -8.670 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.551 10.540 -8.665 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.317 11.657 -8.118 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.953 9.195 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.074 10.054 -11.952 1.00 0.00 H new ATOM 848 N PRO A 56 1.037 6.744 -6.984 1.00 0.00 N ATOM 849 CA PRO A 56 1.472 5.369 -7.168 1.00 0.00 C ATOM 850 C PRO A 56 0.808 4.442 -6.148 1.00 0.00 C ATOM 851 O PRO A 56 1.421 4.007 -5.172 1.00 0.00 O ATOM 852 CB PRO A 56 2.994 5.402 -7.116 1.00 0.00 C ATOM 853 CG PRO A 56 3.356 6.623 -6.283 1.00 0.00 C ATOM 854 CD PRO A 56 2.143 7.549 -6.461 1.00 0.00 C ATOM 0 HA PRO A 56 1.164 4.950 -8.126 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.389 4.491 -6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.418 5.473 -8.118 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.513 6.363 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.275 7.092 -6.636 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.867 8.004 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.381 8.362 -7.147 1.00 0.00 H new ATOM 862 N TYR A 57 -0.434 4.064 -6.438 1.00 0.00 N ATOM 863 CA TYR A 57 -1.297 3.382 -5.493 1.00 0.00 C ATOM 864 C TYR A 57 -0.861 1.916 -5.452 1.00 0.00 C ATOM 865 O TYR A 57 -1.103 1.156 -6.398 1.00 0.00 O ATOM 866 CB TYR A 57 -2.775 3.481 -5.922 1.00 0.00 C ATOM 867 CG TYR A 57 -3.263 4.819 -6.448 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.240 5.965 -5.626 1.00 0.00 C ATOM 869 CD2 TYR A 57 -3.740 4.906 -7.773 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.710 7.197 -6.123 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.181 6.137 -8.286 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.169 7.286 -7.458 1.00 0.00 C ATOM 873 OH TYR A 57 -4.603 8.481 -7.942 1.00 0.00 O ATOM 0 H TYR A 57 -0.869 4.227 -7.346 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.212 3.844 -4.509 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.953 2.731 -6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.393 3.210 -5.066 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.862 5.898 -4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.766 4.023 -8.395 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.720 8.070 -5.487 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.527 6.207 -9.307 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.884 8.374 -8.875 1.00 0.00 H new ATOM 883 N VAL A 58 -0.164 1.516 -4.388 1.00 0.00 N ATOM 884 CA VAL A 58 0.279 0.142 -4.191 1.00 0.00 C ATOM 885 C VAL A 58 -0.936 -0.725 -3.842 1.00 0.00 C ATOM 886 O VAL A 58 -1.347 -0.786 -2.680 1.00 0.00 O ATOM 887 CB VAL A 58 1.386 0.057 -3.124 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.933 -1.378 -3.046 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.554 1.005 -3.431 1.00 0.00 C ATOM 0 H VAL A 58 0.110 2.145 -3.633 1.00 0.00 H new ATOM 0 HA VAL A 58 0.722 -0.236 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 58 0.938 0.351 -2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.715 -1.428 -2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.126 -2.061 -2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.346 -1.663 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.312 0.912 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.990 0.745 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.190 2.032 -3.463 1.00 0.00 H new ATOM 899 N PHE A 59 -1.554 -1.359 -4.833 1.00 0.00 N ATOM 900 CA PHE A 59 -2.752 -2.158 -4.647 1.00 0.00 C ATOM 901 C PHE A 59 -2.438 -3.566 -4.192 1.00 0.00 C ATOM 902 O PHE A 59 -1.362 -4.122 -4.437 1.00 0.00 O ATOM 903 CB PHE A 59 -3.527 -2.255 -5.967 1.00 0.00 C ATOM 904 CG PHE A 59 -4.168 -1.000 -6.532 1.00 0.00 C ATOM 905 CD1 PHE A 59 -4.868 -0.114 -5.699 1.00 0.00 C ATOM 906 CD2 PHE A 59 -4.078 -0.722 -7.909 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.439 1.053 -6.240 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.653 0.440 -8.452 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.344 1.325 -7.614 1.00 0.00 C ATOM 0 H PHE A 59 -1.230 -1.330 -5.800 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.342 -1.661 -3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.845 -2.646 -6.722 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.315 -2.997 -5.834 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.968 -0.327 -4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.559 -1.412 -8.558 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.955 1.746 -5.592 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.563 0.649 -9.508 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.802 2.213 -8.024 1.00 0.00 H new ATOM 919 N ILE A 60 -3.487 -4.167 -3.634 1.00 0.00 N ATOM 920 CA ILE A 60 -3.583 -5.583 -3.385 1.00 0.00 C ATOM 921 C ILE A 60 -4.743 -6.118 -4.205 1.00 0.00 C ATOM 922 O ILE A 60 -5.902 -5.768 -3.974 1.00 0.00 O ATOM 923 CB ILE A 60 -3.674 -5.884 -1.882 1.00 0.00 C ATOM 924 CG1 ILE A 60 -4.970 -5.437 -1.179 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.467 -5.276 -1.188 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.068 -5.828 0.296 1.00 0.00 C ATOM 0 H ILE A 60 -4.317 -3.653 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.679 -6.102 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.689 -6.971 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.055 -4.353 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.821 -5.864 -1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.520 -5.483 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.555 -5.710 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.459 -4.198 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.013 -5.471 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.019 -6.913 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.242 -5.379 0.847 1.00 0.00 H new ATOM 938 N LYS A 61 -4.440 -6.945 -5.196 1.00 0.00 N ATOM 939 CA LYS A 61 -5.449 -7.678 -5.951 1.00 0.00 C ATOM 940 C LYS A 61 -5.395 -9.112 -5.496 1.00 0.00 C ATOM 941 O LYS A 61 -4.316 -9.633 -5.213 1.00 0.00 O ATOM 942 CB LYS A 61 -5.287 -7.533 -7.475 1.00 0.00 C ATOM 943 CG LYS A 61 -3.896 -7.136 -7.954 1.00 0.00 C ATOM 944 CD LYS A 61 -3.758 -7.219 -9.483 1.00 0.00 C ATOM 945 CE LYS A 61 -2.610 -8.162 -9.833 1.00 0.00 C ATOM 946 NZ LYS A 61 -2.510 -8.502 -11.269 1.00 0.00 N ATOM 0 H LYS A 61 -3.484 -7.128 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.434 -7.257 -5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.556 -8.480 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.000 -6.788 -7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.678 -6.119 -7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.155 -7.786 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.687 -7.578 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.570 -6.229 -9.897 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.672 -7.706 -9.515 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.727 -9.083 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.624 -9.017 -11.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.317 -9.099 -11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.519 -7.629 -11.834 1.00 0.00 H new ATOM 960 N ARG A 62 -6.562 -9.739 -5.372 1.00 0.00 N ATOM 961 CA ARG A 62 -6.617 -11.132 -4.988 1.00 0.00 C ATOM 962 C ARG A 62 -6.095 -11.971 -6.151 1.00 0.00 C ATOM 963 O ARG A 62 -6.720 -12.058 -7.210 1.00 0.00 O ATOM 964 CB ARG A 62 -7.981 -11.490 -4.365 1.00 0.00 C ATOM 965 CG ARG A 62 -9.077 -12.019 -5.292 1.00 0.00 C ATOM 966 CD ARG A 62 -10.402 -12.149 -4.519 1.00 0.00 C ATOM 967 NE ARG A 62 -11.287 -13.164 -5.108 1.00 0.00 N ATOM 968 CZ ARG A 62 -12.485 -13.560 -4.664 1.00 0.00 C ATOM 969 NH1 ARG A 62 -13.081 -12.970 -3.633 1.00 0.00 N ATOM 970 NH2 ARG A 62 -13.080 -14.581 -5.263 1.00 0.00 N ATOM 0 H ARG A 62 -7.470 -9.303 -5.532 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.948 -11.372 -4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.809 -12.238 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.365 -10.599 -3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.205 -11.345 -6.139 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.786 -12.988 -5.697 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.192 -12.409 -3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.912 -11.186 -4.509 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.948 -13.620 -5.955 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.624 -12.192 -3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.995 -13.295 -3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.624 -15.049 -6.047 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.994 -14.899 -4.941 1.00 0.00 H new ATOM 984 N SER A 63 -4.878 -12.482 -5.988 1.00 0.00 N ATOM 985 CA SER A 63 -4.290 -13.512 -6.814 1.00 0.00 C ATOM 986 C SER A 63 -5.349 -14.565 -7.155 1.00 0.00 C ATOM 987 O SER A 63 -5.964 -15.159 -6.263 1.00 0.00 O ATOM 988 CB SER A 63 -3.143 -14.147 -6.047 1.00 0.00 C ATOM 989 OG SER A 63 -2.090 -13.207 -5.902 1.00 0.00 O ATOM 0 H SER A 63 -4.255 -12.171 -5.243 1.00 0.00 H new ATOM 0 HA SER A 63 -3.916 -13.084 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.486 -14.478 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.785 -15.031 -6.574 1.00 0.00 H new ATOM 0 HG SER A 63 -2.081 -12.605 -6.675 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.149 -16.311 0.801 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.123 -15.279 -0.245 1.00 0.00 C ATOM 1118 C LYS A 73 -6.765 -14.589 -0.326 1.00 0.00 C ATOM 1119 O LYS A 73 -6.565 -13.477 0.173 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.281 -14.288 -0.091 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.617 -14.987 -0.385 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.708 -13.983 -0.751 1.00 0.00 C ATOM 1123 CE LYS A 73 -12.157 -13.169 0.462 1.00 0.00 C ATOM 1124 NZ LYS A 73 -13.284 -12.281 0.129 1.00 0.00 N ATOM 0 HA LYS A 73 -8.270 -15.780 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.289 -13.881 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.144 -13.448 -0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.485 -15.696 -1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.928 -15.561 0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.338 -13.310 -1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.563 -14.512 -1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.450 -13.844 1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.321 -12.575 0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.564 -11.743 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.996 -11.621 -0.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.089 -12.851 -0.201 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.821 -15.309 -0.912 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.441 -14.870 -1.006 1.00 0.00 C ATOM 1140 C VAL A 74 -4.376 -13.661 -1.956 1.00 0.00 C ATOM 1141 O VAL A 74 -5.159 -13.579 -2.908 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.538 -16.072 -1.378 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -3.965 -17.377 -0.673 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.470 -16.404 -2.864 1.00 0.00 C ATOM 0 H VAL A 74 -5.994 -16.220 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.049 -14.517 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.559 -15.727 -1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.298 -18.186 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.912 -17.241 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.987 -17.627 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.812 -17.260 -3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.468 -16.644 -3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.081 -15.545 -3.411 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.477 -12.707 -1.701 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.343 -11.508 -2.528 1.00 0.00 C ATOM 1156 C VAL A 75 -1.870 -11.252 -2.822 1.00 0.00 C ATOM 1157 O VAL A 75 -0.992 -11.971 -2.341 1.00 0.00 O ATOM 1158 CB VAL A 75 -4.065 -10.288 -1.926 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.487 -10.609 -1.461 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.308 -9.600 -0.790 1.00 0.00 C ATOM 0 H VAL A 75 -2.824 -12.745 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.849 -11.683 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.109 -9.587 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.945 -9.711 -1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.077 -10.959 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.453 -11.386 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.889 -8.753 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.151 -10.308 0.024 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.344 -9.248 -1.156 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.586 -10.238 -3.624 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.247 -9.903 -4.072 1.00 0.00 C ATOM 1172 C GLU A 76 -0.039 -8.384 -3.945 1.00 0.00 C ATOM 1173 O GLU A 76 -0.895 -7.703 -3.376 1.00 0.00 O ATOM 1174 CB GLU A 76 -0.051 -10.450 -5.478 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.966 -9.862 -6.546 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.751 -10.655 -7.821 1.00 0.00 C ATOM 1177 OE1 GLU A 76 0.234 -10.350 -8.533 1.00 0.00 O ATOM 1178 OE2 GLU A 76 -1.532 -11.609 -8.046 1.00 0.00 O ATOM 0 H GLU A 76 -2.301 -9.609 -3.990 1.00 0.00 H new ATOM 0 HA GLU A 76 0.520 -10.365 -3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.983 -10.277 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.199 -11.530 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.008 -9.919 -6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.738 -8.808 -6.707 1.00 0.00 H new ATOM 1185 N LEU A 77 1.089 -7.856 -4.432 1.00 0.00 N ATOM 1186 CA LEU A 77 1.429 -6.432 -4.448 1.00 0.00 C ATOM 1187 C LEU A 77 1.609 -6.005 -5.894 1.00 0.00 C ATOM 1188 O LEU A 77 2.175 -6.747 -6.706 1.00 0.00 O ATOM 1189 CB LEU A 77 2.742 -6.152 -3.699 1.00 0.00 C ATOM 1190 CG LEU A 77 2.625 -6.286 -2.177 1.00 0.00 C ATOM 1191 CD1 LEU A 77 3.991 -6.575 -1.545 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.022 -5.036 -1.537 1.00 0.00 C ATOM 0 H LEU A 77 1.821 -8.436 -4.843 1.00 0.00 H new ATOM 0 HA LEU A 77 0.627 -5.881 -3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.508 -6.840 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.080 -5.144 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 77 1.955 -7.124 -1.987 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.880 -6.666 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.389 -7.506 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.677 -5.759 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.958 -5.175 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.654 -4.175 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.024 -4.866 -1.941 1.00 0.00 H new ATOM 1204 N VAL A 78 1.123 -4.809 -6.197 1.00 0.00 N ATOM 1205 CA VAL A 78 1.083 -4.178 -7.507 1.00 0.00 C ATOM 1206 C VAL A 78 1.290 -2.682 -7.214 1.00 0.00 C ATOM 1207 O VAL A 78 1.126 -2.269 -6.065 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.295 -4.499 -8.143 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.478 -4.155 -9.621 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -0.678 -5.971 -8.018 1.00 0.00 C ATOM 0 H VAL A 78 0.716 -4.210 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 78 1.837 -4.523 -8.214 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.935 -3.841 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.484 -4.431 -9.937 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.333 -3.085 -9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.252 -4.704 -10.216 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.651 -6.134 -8.481 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.070 -6.585 -8.519 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.727 -6.246 -6.964 1.00 0.00 H new ATOM 1220 N ALA A 79 1.639 -1.863 -8.206 1.00 0.00 N ATOM 1221 CA ALA A 79 1.590 -0.403 -8.097 1.00 0.00 C ATOM 1222 C ALA A 79 1.079 0.159 -9.425 1.00 0.00 C ATOM 1223 O ALA A 79 1.290 -0.447 -10.477 1.00 0.00 O ATOM 1224 CB ALA A 79 2.945 0.169 -7.664 1.00 0.00 C ATOM 0 H ALA A 79 1.966 -2.195 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 79 0.897 -0.099 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.876 1.254 -7.592 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.220 -0.242 -6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.704 -0.098 -8.399 1.00 0.00 H new ATOM 1230 N GLU A 80 0.330 1.259 -9.385 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.383 1.811 -10.530 1.00 0.00 C ATOM 1232 C GLU A 80 -0.518 3.309 -10.281 1.00 0.00 C ATOM 1233 O GLU A 80 -1.138 3.671 -9.288 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.766 1.141 -10.688 1.00 0.00 C ATOM 1235 CG GLU A 80 -1.977 0.524 -12.080 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.642 1.500 -13.205 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -2.053 2.678 -13.117 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -0.900 1.110 -14.131 1.00 0.00 O ATOM 0 H GLU A 80 0.200 1.804 -8.532 1.00 0.00 H new ATOM 0 HA GLU A 80 0.159 1.625 -11.457 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.876 0.364 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.545 1.880 -10.502 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.356 -0.366 -12.178 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.014 0.202 -12.179 1.00 0.00 H new ATOM 1245 N MET A 81 0.093 4.163 -11.108 1.00 0.00 N ATOM 1246 CA MET A 81 0.080 5.606 -10.879 1.00 0.00 C ATOM 1247 C MET A 81 -1.232 6.281 -11.284 1.00 0.00 C ATOM 1248 O MET A 81 -1.466 7.430 -10.906 1.00 0.00 O ATOM 1249 CB MET A 81 1.265 6.301 -11.553 1.00 0.00 C ATOM 1250 CG MET A 81 1.294 6.160 -13.081 1.00 0.00 C ATOM 1251 SD MET A 81 1.558 7.732 -13.940 1.00 0.00 S ATOM 1252 CE MET A 81 3.200 8.151 -13.303 1.00 0.00 C ATOM 0 H MET A 81 0.603 3.876 -11.943 1.00 0.00 H new ATOM 0 HA MET A 81 0.173 5.722 -9.799 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.243 7.361 -11.298 1.00 0.00 H new ATOM 0 HB3 MET A 81 2.190 5.894 -11.145 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.085 5.464 -13.360 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.353 5.724 -13.417 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.585 9.021 -13.834 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.131 8.377 -12.239 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.874 7.308 -13.452 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.060 5.619 -12.093 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.334 6.168 -12.574 1.00 0.00 C ATOM 1264 C ASP A 82 -4.483 5.236 -12.169 1.00 0.00 C ATOM 1265 O ASP A 82 -5.654 5.624 -12.093 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.272 6.352 -14.101 1.00 0.00 C ATOM 1267 CG ASP A 82 -3.825 7.704 -14.551 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -4.993 8.038 -14.251 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -3.084 8.430 -15.256 1.00 0.00 O ATOM 0 H ASP A 82 -1.866 4.679 -12.437 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.514 7.143 -12.121 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.238 6.257 -14.433 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.836 5.554 -14.583 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.142 3.985 -11.865 1.00 0.00 N ATOM 1275 CA GLY A 83 -5.058 2.896 -11.635 1.00 0.00 C ATOM 1276 C GLY A 83 -5.630 2.387 -12.953 1.00 0.00 C ATOM 1277 O GLY A 83 -6.814 2.049 -12.980 1.00 0.00 O ATOM 0 H GLY A 83 -3.167 3.701 -11.770 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.545 2.085 -11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.868 3.226 -10.985 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.792 2.301 -14.004 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.087 1.766 -15.347 1.00 0.00 C ATOM 1283 C ILE A 84 -6.060 0.594 -15.242 1.00 0.00 C ATOM 1284 O ILE A 84 -7.101 0.567 -15.898 1.00 0.00 O ATOM 1285 CB ILE A 84 -3.769 1.300 -16.036 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -2.858 2.470 -16.471 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -3.983 0.305 -17.200 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -3.235 3.116 -17.808 1.00 0.00 C ATOM 0 H ILE A 84 -3.827 2.625 -13.933 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.544 2.553 -15.947 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.246 0.753 -15.251 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.878 3.235 -15.695 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.832 2.108 -16.535 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.018 0.030 -17.626 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.483 -0.589 -16.827 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.599 0.771 -17.969 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.540 3.926 -18.029 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.185 2.369 -18.600 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.248 3.513 -17.747 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.688 -0.377 -14.414 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.429 -1.578 -14.111 1.00 0.00 C ATOM 1302 C GLN A 85 -6.401 -1.760 -12.597 1.00 0.00 C ATOM 1303 O GLN A 85 -5.840 -0.944 -11.853 1.00 0.00 O ATOM 1304 CB GLN A 85 -5.791 -2.761 -14.874 1.00 0.00 C ATOM 1305 CG GLN A 85 -6.229 -2.817 -16.342 1.00 0.00 C ATOM 1306 CD GLN A 85 -7.684 -3.246 -16.483 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -8.612 -2.446 -16.382 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -7.946 -4.524 -16.673 1.00 0.00 N ATOM 0 H GLN A 85 -4.803 -0.335 -13.909 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.470 -1.520 -14.430 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.705 -2.678 -14.825 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.061 -3.695 -14.382 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.093 -1.837 -16.799 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.591 -3.514 -16.885 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.182 -5.194 -16.758 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.913 -4.843 -16.735 1.00 0.00 H new ATOM 1317 N TYR A 86 -6.986 -2.870 -12.151 1.00 0.00 N ATOM 1318 CA TYR A 86 -6.960 -3.370 -10.791 1.00 0.00 C ATOM 1319 C TYR A 86 -7.886 -2.544 -9.907 1.00 0.00 C ATOM 1320 O TYR A 86 -8.904 -3.078 -9.461 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.536 -3.451 -10.214 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.451 -3.835 -11.200 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -4.470 -5.099 -11.814 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.395 -2.942 -11.468 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -3.376 -5.524 -12.584 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.327 -3.335 -12.287 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.293 -4.642 -12.805 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.183 -5.044 -13.471 1.00 0.00 O ATOM 0 H TYR A 86 -7.521 -3.476 -12.773 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.328 -4.396 -10.812 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.283 -2.483 -9.781 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.534 -4.175 -9.399 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.328 -5.744 -11.693 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.408 -1.950 -11.041 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.362 -6.518 -13.005 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.535 -2.638 -12.519 1.00 0.00 H new ATOM 0 HH TYR A 86 -0.547 -4.300 -13.526 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.542 -1.289 -9.614 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.171 -0.451 -8.604 1.00 0.00 C ATOM 1340 C GLY A 87 -9.691 -0.492 -8.687 1.00 0.00 C ATOM 1341 O GLY A 87 -10.361 -0.950 -7.757 1.00 0.00 O ATOM 0 H GLY A 87 -6.782 -0.812 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.854 -0.779 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.830 0.577 -8.724 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.237 -0.084 -9.832 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.679 -0.028 -10.058 1.00 0.00 C ATOM 1347 C ARG A 88 -12.287 -1.391 -10.400 1.00 0.00 C ATOM 1348 O ARG A 88 -13.512 -1.511 -10.412 1.00 0.00 O ATOM 1349 CB ARG A 88 -11.971 1.027 -11.151 1.00 0.00 C ATOM 1350 CG ARG A 88 -13.063 2.018 -10.721 1.00 0.00 C ATOM 1351 CD ARG A 88 -12.565 2.952 -9.602 1.00 0.00 C ATOM 1352 NE ARG A 88 -13.504 2.995 -8.474 1.00 0.00 N ATOM 1353 CZ ARG A 88 -13.455 2.325 -7.319 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -12.353 1.685 -6.932 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -14.547 2.295 -6.567 1.00 0.00 N ATOM 0 H ARG A 88 -9.686 0.219 -10.635 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.161 0.268 -9.126 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.056 1.573 -11.380 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.280 0.523 -12.067 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.377 2.612 -11.580 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.939 1.469 -10.376 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.590 2.613 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.428 3.957 -10.001 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.301 3.621 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.521 1.699 -7.522 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.341 1.181 -6.046 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.392 2.775 -6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.542 1.792 -5.680 1.00 0.00 H new ATOM 1369 N SER A 89 -11.475 -2.411 -10.671 1.00 0.00 N ATOM 1370 CA SER A 89 -11.882 -3.675 -11.276 1.00 0.00 C ATOM 1371 C SER A 89 -12.803 -4.505 -10.371 1.00 0.00 C ATOM 1372 O SER A 89 -13.751 -5.106 -10.868 1.00 0.00 O ATOM 1373 CB SER A 89 -10.601 -4.433 -11.644 1.00 0.00 C ATOM 1374 OG SER A 89 -10.795 -5.514 -12.529 1.00 0.00 O ATOM 0 H SER A 89 -10.476 -2.377 -10.467 1.00 0.00 H new ATOM 0 HA SER A 89 -12.481 -3.478 -12.165 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.896 -3.733 -12.094 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.140 -4.807 -10.730 1.00 0.00 H new ATOM 0 HG SER A 89 -9.934 -5.943 -12.715 1.00 0.00 H new ATOM 1380 N GLY A 90 -12.558 -4.542 -9.057 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.332 -5.341 -8.106 1.00 0.00 C ATOM 1382 C GLY A 90 -12.468 -6.364 -7.365 1.00 0.00 C ATOM 1383 O GLY A 90 -12.625 -6.539 -6.152 1.00 0.00 O ATOM 0 H GLY A 90 -11.806 -4.010 -8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.808 -4.679 -7.382 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.130 -5.860 -8.637 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.501 -6.972 -8.065 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.440 -7.851 -7.541 1.00 0.00 C ATOM 1389 C ILE A 91 -9.615 -7.203 -6.416 1.00 0.00 C ATOM 1390 O ILE A 91 -8.951 -7.903 -5.644 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.539 -8.283 -8.729 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.447 -9.293 -8.368 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -8.888 -7.097 -9.479 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.683 -9.808 -9.594 1.00 0.00 C ATOM 0 H ILE A 91 -11.432 -6.858 -9.076 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.908 -8.722 -7.082 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.250 -8.777 -9.391 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.744 -8.829 -7.676 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.898 -10.137 -7.846 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.273 -7.476 -10.295 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.667 -6.449 -9.882 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.264 -6.529 -8.789 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.922 -10.520 -9.276 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.377 -10.299 -10.276 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.206 -8.971 -10.103 1.00 0.00 H new ATOM 1406 N THR A 92 -9.631 -5.874 -6.327 1.00 0.00 N ATOM 1407 CA THR A 92 -8.633 -5.120 -5.592 1.00 0.00 C ATOM 1408 C THR A 92 -9.217 -4.645 -4.271 1.00 0.00 C ATOM 1409 O THR A 92 -10.234 -3.943 -4.239 1.00 0.00 O ATOM 1410 CB THR A 92 -8.093 -3.995 -6.469 1.00 0.00 C ATOM 1411 OG1 THR A 92 -7.694 -4.571 -7.691 1.00 0.00 O ATOM 1412 CG2 THR A 92 -6.875 -3.343 -5.842 1.00 0.00 C ATOM 0 H THR A 92 -10.344 -5.292 -6.768 1.00 0.00 H new ATOM 0 HA THR A 92 -7.780 -5.750 -5.339 1.00 0.00 H new ATOM 0 HB THR A 92 -8.866 -3.238 -6.597 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.356 -4.362 -8.383 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.514 -2.545 -6.492 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.144 -2.927 -4.871 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.090 -4.088 -5.712 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.608 -5.098 -3.180 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.195 -5.065 -1.847 1.00 0.00 C ATOM 1422 C LEU A 93 -8.831 -3.776 -1.113 1.00 0.00 C ATOM 1423 O LEU A 93 -9.590 -3.333 -0.252 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.764 -6.290 -1.034 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.808 -7.615 -1.814 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.373 -8.729 -0.877 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -10.189 -7.949 -2.387 1.00 0.00 C ATOM 0 H LEU A 93 -7.674 -5.506 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.279 -5.091 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.749 -6.130 -0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.408 -6.376 -0.159 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.139 -7.513 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.396 -9.681 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.360 -8.534 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.051 -8.773 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.141 -8.897 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.911 -8.028 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.499 -7.160 -3.072 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.693 -3.158 -1.452 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.291 -1.875 -0.904 1.00 0.00 C ATOM 1441 C GLY A 94 -5.965 -1.423 -1.504 1.00 0.00 C ATOM 1442 O GLY A 94 -5.473 -2.030 -2.463 1.00 0.00 O ATOM 0 H GLY A 94 -7.026 -3.545 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.060 -1.130 -1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.199 -1.950 0.179 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.415 -0.359 -0.928 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.104 0.217 -1.200 1.00 0.00 C ATOM 1448 C VAL A 95 -3.340 0.200 0.115 1.00 0.00 C ATOM 1449 O VAL A 95 -3.923 0.394 1.187 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.258 1.653 -1.758 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -2.911 2.329 -2.039 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.078 1.785 -3.035 1.00 0.00 C ATOM 0 H VAL A 95 -5.912 0.161 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.561 -0.352 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.797 2.143 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.082 3.333 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.335 2.391 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.357 1.745 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.119 2.832 -3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -4.613 1.199 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.089 1.418 -2.858 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.045 -0.077 0.030 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.146 0.002 1.157 1.00 0.00 C ATOM 1464 C LEU A 96 -0.750 1.450 1.392 1.00 0.00 C ATOM 1465 O LEU A 96 -0.461 2.187 0.449 1.00 0.00 O ATOM 1466 CB LEU A 96 0.136 -0.792 0.895 1.00 0.00 C ATOM 1467 CG LEU A 96 0.124 -2.306 1.131 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -0.554 -2.736 2.437 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -0.542 -3.012 -0.034 1.00 0.00 C ATOM 0 H LEU A 96 -1.592 -0.365 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.663 -0.411 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.425 -0.621 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.922 -0.366 1.519 1.00 0.00 H new ATOM 0 HG LEU A 96 1.171 -2.596 1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.518 -3.822 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.033 -2.286 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.593 -2.406 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.544 -4.087 0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.568 -2.659 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.007 -2.798 -0.951 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.653 1.816 2.663 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.227 3.120 3.146 1.00 0.00 C ATOM 1483 C VAL A 97 0.762 2.901 4.292 1.00 0.00 C ATOM 1484 O VAL A 97 0.855 1.784 4.820 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.461 3.937 3.581 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.422 4.181 2.403 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.245 3.279 4.732 1.00 0.00 C ATOM 0 H VAL A 97 -0.882 1.176 3.424 1.00 0.00 H new ATOM 0 HA VAL A 97 0.273 3.691 2.363 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.064 4.887 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.280 4.759 2.747 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.903 4.732 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.764 3.224 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.101 3.902 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.594 2.295 4.419 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.596 3.174 5.601 1.00 0.00 H new ATOM 1497 N PRO A 98 1.542 3.910 4.696 1.00 0.00 N ATOM 1498 CA PRO A 98 2.301 3.806 5.933 1.00 0.00 C ATOM 1499 C PRO A 98 1.354 3.774 7.129 1.00 0.00 C ATOM 1500 O PRO A 98 0.308 4.418 7.117 1.00 0.00 O ATOM 1501 CB PRO A 98 3.269 4.985 5.948 1.00 0.00 C ATOM 1502 CG PRO A 98 2.981 5.806 4.685 1.00 0.00 C ATOM 1503 CD PRO A 98 1.837 5.122 3.949 1.00 0.00 C ATOM 0 HA PRO A 98 2.872 2.880 5.997 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.128 5.590 6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.302 4.638 5.957 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.712 6.830 4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 98 3.867 5.860 4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.963 5.771 3.899 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.119 4.888 2.923 1.00 0.00 H new ATOM 1511 N HIS A 99 1.730 3.021 8.167 1.00 0.00 N ATOM 1512 CA HIS A 99 1.096 3.091 9.474 1.00 0.00 C ATOM 1513 C HIS A 99 2.037 3.816 10.430 1.00 0.00 C ATOM 1514 O HIS A 99 3.046 3.224 10.822 1.00 0.00 O ATOM 1515 CB HIS A 99 0.804 1.680 10.011 1.00 0.00 C ATOM 1516 CG HIS A 99 -0.033 1.663 11.267 1.00 0.00 C ATOM 1517 ND1 HIS A 99 0.026 0.704 12.253 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -1.002 2.564 11.626 1.00 0.00 C ATOM 1519 CE1 HIS A 99 -0.910 1.001 13.169 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -1.566 2.122 12.825 1.00 0.00 N ATOM 0 H HIS A 99 2.490 2.342 8.117 1.00 0.00 H new ATOM 0 HA HIS A 99 0.151 3.628 9.389 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.293 1.107 9.238 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.749 1.175 10.210 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -1.279 3.454 11.081 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -1.108 0.420 14.058 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.328 2.564 13.339 1.00 0.00 H new ATOM 1528 N VAL A 100 1.719 5.044 10.850 1.00 0.00 N ATOM 1529 CA VAL A 100 2.468 5.688 11.938 1.00 0.00 C ATOM 1530 C VAL A 100 1.780 5.429 13.286 1.00 0.00 C ATOM 1531 O VAL A 100 1.722 6.299 14.152 1.00 0.00 O ATOM 1532 CB VAL A 100 2.800 7.166 11.619 1.00 0.00 C ATOM 1533 CG1 VAL A 100 3.471 7.284 10.237 1.00 0.00 C ATOM 1534 CG2 VAL A 100 1.611 8.132 11.644 1.00 0.00 C ATOM 0 H VAL A 100 0.961 5.606 10.462 1.00 0.00 H new ATOM 0 HA VAL A 100 3.452 5.228 12.029 1.00 0.00 H new ATOM 0 HB VAL A 100 3.466 7.463 12.429 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.697 8.330 10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.395 6.705 10.230 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.797 6.900 9.471 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.955 9.139 11.407 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.872 7.818 10.907 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.159 8.127 12.636 1.00 0.00 H new ATOM 1544 N GLY A 101 1.249 4.217 13.488 1.00 0.00 N ATOM 1545 CA GLY A 101 0.487 3.871 14.683 1.00 0.00 C ATOM 1546 C GLY A 101 -0.819 4.654 14.843 1.00 0.00 C ATOM 1547 O GLY A 101 -1.443 4.556 15.894 1.00 0.00 O ATOM 0 H GLY A 101 1.339 3.450 12.822 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.258 2.806 14.659 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.111 4.043 15.560 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.189 5.442 13.831 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.140 6.544 13.804 1.00 0.00 C ATOM 1553 C GLU A 102 -3.413 6.242 14.586 1.00 0.00 C ATOM 1554 O GLU A 102 -3.462 6.538 15.781 1.00 0.00 O ATOM 1555 CB GLU A 102 -2.319 6.918 12.323 1.00 0.00 C ATOM 1556 CG GLU A 102 -2.932 8.294 12.028 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.962 9.202 11.272 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -1.499 8.797 10.174 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -1.687 10.327 11.758 1.00 0.00 O ATOM 0 H GLU A 102 -0.779 5.303 12.907 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.772 7.422 14.336 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.343 6.870 11.840 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.945 6.159 11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.842 8.167 11.442 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -3.220 8.771 12.965 1.00 0.00 H new ATOM 1566 N THR A 103 -4.446 5.696 13.948 1.00 0.00 N ATOM 1567 CA THR A 103 -5.735 5.407 14.559 1.00 0.00 C ATOM 1568 C THR A 103 -6.505 4.484 13.598 1.00 0.00 C ATOM 1569 O THR A 103 -7.173 4.959 12.675 1.00 0.00 O ATOM 1570 CB THR A 103 -6.450 6.740 14.871 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.896 7.308 16.038 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.922 6.579 15.194 1.00 0.00 C ATOM 0 H THR A 103 -4.405 5.436 12.963 1.00 0.00 H new ATOM 0 HA THR A 103 -5.647 4.885 15.512 1.00 0.00 H new ATOM 0 HB THR A 103 -6.326 7.347 13.974 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.092 6.809 16.295 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.358 7.556 15.402 1.00 0.00 H new ATOM 0 HG22 THR A 103 -8.434 6.127 14.344 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.035 5.938 16.068 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.381 3.152 13.727 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.127 2.233 12.883 1.00 0.00 C ATOM 1582 C PRO A 104 -8.586 2.127 13.318 1.00 0.00 C ATOM 1583 O PRO A 104 -8.940 2.502 14.436 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.366 0.914 12.958 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.595 0.959 14.277 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.484 2.446 14.627 1.00 0.00 C ATOM 0 HA PRO A 104 -7.191 2.575 11.850 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.049 0.065 12.932 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.688 0.804 12.111 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.119 0.409 15.058 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.610 0.504 14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.761 2.621 15.667 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.459 2.797 14.507 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.424 1.584 12.436 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.810 1.226 12.716 1.00 0.00 C ATOM 1596 C ILE A 105 -11.012 -0.291 12.712 1.00 0.00 C ATOM 1597 O ILE A 105 -11.999 -0.755 13.282 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.794 1.903 11.732 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.546 1.541 10.242 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.877 3.415 11.997 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.669 2.513 9.455 1.00 0.00 C ATOM 0 H ILE A 105 -9.146 1.375 11.477 1.00 0.00 H new ATOM 0 HA ILE A 105 -11.030 1.598 13.717 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.781 1.486 11.933 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.087 0.553 10.200 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.511 1.466 9.741 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.574 3.870 11.294 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -12.225 3.587 13.016 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.891 3.861 11.870 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.565 2.160 8.429 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -11.131 3.500 9.454 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.685 2.573 9.920 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.129 -1.058 12.065 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.268 -2.496 11.874 1.00 0.00 C ATOM 1615 C ALA A 106 -8.917 -3.097 11.494 1.00 0.00 C ATOM 1616 O ALA A 106 -7.934 -2.362 11.402 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.325 -2.759 10.788 1.00 0.00 C ATOM 0 H ALA A 106 -9.277 -0.681 11.650 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.597 -2.970 12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.435 -3.833 10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.280 -2.337 11.100 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.010 -2.294 9.854 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.863 -4.412 11.262 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.666 -5.141 10.835 1.00 0.00 C ATOM 1625 C TYR A 107 -8.046 -6.121 9.721 1.00 0.00 C ATOM 1626 O TYR A 107 -9.009 -6.871 9.885 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.044 -5.898 12.023 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.942 -5.148 12.748 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.226 -3.970 13.466 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.618 -5.629 12.698 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.191 -3.268 14.107 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.589 -4.959 13.379 1.00 0.00 C ATOM 1633 CZ TYR A 107 -3.874 -3.776 14.096 1.00 0.00 C ATOM 1634 OH TYR A 107 -2.900 -3.147 14.808 1.00 0.00 O ATOM 0 H TYR A 107 -9.677 -5.017 11.370 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.927 -4.433 10.460 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.832 -6.136 12.737 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.643 -6.845 11.662 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.241 -3.606 13.524 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.393 -6.520 12.131 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.404 -2.336 14.610 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.582 -5.347 13.355 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.052 -3.625 14.695 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.301 -6.150 8.611 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.512 -7.031 7.463 1.00 0.00 C ATOM 1646 C ARG A 108 -6.453 -8.135 7.505 1.00 0.00 C ATOM 1647 O ARG A 108 -5.391 -7.954 8.096 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.423 -6.213 6.165 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.214 -6.826 4.996 1.00 0.00 C ATOM 1650 CD ARG A 108 -9.736 -6.620 5.134 1.00 0.00 C ATOM 1651 NE ARG A 108 -10.305 -6.021 3.911 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.540 -5.515 3.786 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -12.516 -5.853 4.619 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -11.777 -4.653 2.807 1.00 0.00 N ATOM 0 H ARG A 108 -6.500 -5.532 8.485 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.501 -7.488 7.499 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.793 -5.205 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.376 -6.119 5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.875 -6.381 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.000 -7.893 4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.219 -7.577 5.332 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.943 -5.975 5.988 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.705 -5.989 3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.335 -6.512 5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.447 -5.454 4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.027 -4.388 2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -12.709 -4.255 2.692 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.691 -9.263 6.842 1.00 0.00 N ATOM 1669 CA ASN A 109 -5.836 -10.427 6.771 1.00 0.00 C ATOM 1670 C ASN A 109 -5.769 -10.960 5.338 1.00 0.00 C ATOM 1671 O ASN A 109 -6.749 -10.912 4.587 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.417 -11.516 7.679 1.00 0.00 C ATOM 1673 CG ASN A 109 -7.897 -11.868 7.505 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -8.605 -11.379 6.627 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -8.412 -12.709 8.375 1.00 0.00 N ATOM 0 H ASN A 109 -7.549 -9.389 6.305 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.831 -10.152 7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -5.835 -12.425 7.528 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -6.264 -11.208 8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.400 -12.956 8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.823 -13.114 9.103 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.616 -11.499 4.952 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.339 -12.042 3.623 1.00 0.00 C ATOM 1684 C VAL A 110 -3.315 -13.176 3.756 1.00 0.00 C ATOM 1685 O VAL A 110 -2.762 -13.384 4.837 1.00 0.00 O ATOM 1686 CB VAL A 110 -3.808 -10.926 2.688 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -4.845 -9.825 2.421 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -2.511 -10.266 3.187 1.00 0.00 C ATOM 0 H VAL A 110 -3.816 -11.573 5.581 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.256 -12.435 3.185 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.592 -11.451 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.415 -9.072 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -5.726 -10.261 1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.132 -9.359 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.200 -9.495 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -2.685 -9.815 4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -1.728 -11.020 3.270 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.013 -13.886 2.665 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.778 -14.644 2.520 1.00 0.00 C ATOM 1700 C LEU A 111 -0.950 -13.959 1.429 1.00 0.00 C ATOM 1701 O LEU A 111 -1.506 -13.248 0.589 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.097 -16.054 2.016 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.659 -17.160 2.911 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.640 -17.783 3.857 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.941 -16.771 3.632 1.00 0.00 C ATOM 0 H LEU A 111 -3.628 -13.948 1.853 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.255 -14.691 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.803 -15.935 1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.173 -16.444 1.588 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.927 -17.948 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.123 -18.557 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.829 -18.224 3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.238 -17.014 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.280 -17.605 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.753 -15.905 4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.710 -16.525 2.900 1.00 0.00 H new ATOM 1717 N LEU A 112 0.346 -14.265 1.397 1.00 0.00 N ATOM 1718 CA LEU A 112 1.385 -13.729 0.526 1.00 0.00 C ATOM 1719 C LEU A 112 2.041 -14.890 -0.216 1.00 0.00 C ATOM 1720 O LEU A 112 2.551 -15.825 0.402 1.00 0.00 O ATOM 1721 CB LEU A 112 2.400 -12.954 1.394 1.00 0.00 C ATOM 1722 CG LEU A 112 3.576 -12.233 0.694 1.00 0.00 C ATOM 1723 CD1 LEU A 112 4.882 -13.033 0.728 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.291 -11.799 -0.744 1.00 0.00 C ATOM 0 H LEU A 112 0.728 -14.958 2.040 1.00 0.00 H new ATOM 0 HA LEU A 112 0.974 -13.041 -0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.846 -12.208 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.823 -13.655 2.114 1.00 0.00 H new ATOM 0 HG LEU A 112 3.697 -11.329 1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.666 -12.471 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.174 -13.209 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.736 -13.989 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.170 -11.303 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.053 -12.675 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.446 -11.110 -0.756 1.00 0.00 H new ATOM 1736 N ARG A 113 2.004 -14.862 -1.545 1.00 0.00 N ATOM 1737 CA ARG A 113 2.636 -15.829 -2.430 1.00 0.00 C ATOM 1738 C ARG A 113 4.138 -15.893 -2.184 1.00 0.00 C ATOM 1739 O ARG A 113 4.836 -14.885 -2.279 1.00 0.00 O ATOM 1740 CB ARG A 113 2.265 -15.406 -3.856 1.00 0.00 C ATOM 1741 CG ARG A 113 2.707 -16.321 -4.990 1.00 0.00 C ATOM 1742 CD ARG A 113 1.908 -15.941 -6.249 1.00 0.00 C ATOM 1743 NE ARG A 113 2.284 -16.783 -7.408 1.00 0.00 N ATOM 1744 CZ ARG A 113 3.183 -16.486 -8.358 1.00 0.00 C ATOM 1745 NH1 ARG A 113 3.840 -15.335 -8.332 1.00 0.00 N ATOM 1746 NH2 ARG A 113 3.441 -17.348 -9.331 1.00 0.00 N ATOM 0 H ARG A 113 1.509 -14.130 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 113 2.286 -16.845 -2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.181 -15.304 -3.907 1.00 0.00 H new ATOM 0 HB3 ARG A 113 2.687 -14.417 -4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.776 -16.214 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.531 -17.364 -4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.842 -16.049 -6.050 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.083 -14.892 -6.489 1.00 0.00 H new ATOM 0 HE ARG A 113 1.810 -17.682 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.664 -14.664 -7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 113 4.521 -15.120 -9.060 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.955 -18.244 -9.361 1.00 0.00 H new ATOM 0 HH22 ARG A 113 4.126 -17.115 -10.050 1.00 0.00 H new