USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 739 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 82 THR OG1 : rot -47:sc= 0.295 USER MOD Set 1.2: A 87 ASN : amide:sc= -0.772 K(o=-0.48,f=-5!) USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 43 ASN : amide:sc= -1.13 X(o=-0.67,f=-1.1!) USER MOD Set 3.2: A 45 THR OG1 : rot -40:sc= 0.464 USER MOD Set 4.1: A 29 CYS SG : rot 174:sc= 0.853 USER MOD Set 4.2: A 79 CYS SG : rot 110:sc= 1.27 USER MOD Set 5.1: A 24 MET CE :methyl 146:sc= -0.0449 (180deg=0) USER MOD Set 5.2: A 65 ASN : amide:sc= -1.99 K(o=-2,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.00676 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 0.917 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.525 USER MOD Single : A 6 SER OG : rot 56:sc= 0.214 USER MOD Single : A 11 MET CE :methyl -118:sc= -0.0118 (180deg=-0.928) USER MOD Single : A 18 ASN : amide:sc= -1.23! C(o=-1.2!,f=-4.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 130:sc= 0 USER MOD Single : A 34 MET CE :methyl -178:sc= 0 (180deg=-0.00372) USER MOD Single : A 35 SER OG : rot -95:sc= 1.07 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 33:sc= 0.876 USER MOD Single : A 49 HIS : no HE2:sc= 0.481 K(o=0.48,f=-2.1!) USER MOD Single : A 51 SER OG : rot -74:sc= 0.54 USER MOD Single : A 53 HIS : no HD1:sc= -0.95 K(o=-0.95,f=-4.7!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.12) USER MOD Single : A 63 THR OG1 : rot 90:sc= 0.453 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -1.56 F(o=-2.7,f=-1.6) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 77 TYR OH : rot -35:sc= 0.562 USER MOD Single : A 80 MET CE :methyl 166:sc= -0.798 (180deg=-1.29) USER MOD Single : A 83 ASN : amide:sc= 0.1 K(o=0.1,f=-5.1!) USER MOD Single : A 88 SER OG : rot 26:sc= 0.501 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.54 K(o=-0.54,f=-3.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.079 11.809 6.530 1.00 0.00 N ATOM 2 CA GLY A 1 13.201 11.036 7.030 1.00 0.00 C ATOM 3 C GLY A 1 14.528 11.516 6.477 1.00 0.00 C ATOM 4 O GLY A 1 14.746 12.717 6.323 1.00 0.00 O ATOM 0 H1 GLY A 1 11.344 11.868 7.263 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.400 12.767 6.283 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.688 11.346 5.685 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.222 11.094 8.118 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.060 9.987 6.769 1.00 0.00 H new ATOM 8 N SER A 2 15.418 10.574 6.178 1.00 0.00 N ATOM 9 CA SER A 2 16.733 10.908 5.644 1.00 0.00 C ATOM 10 C SER A 2 16.724 10.879 4.119 1.00 0.00 C ATOM 11 O SER A 2 16.531 9.827 3.508 1.00 0.00 O ATOM 12 CB SER A 2 17.786 9.934 6.178 1.00 0.00 C ATOM 13 OG SER A 2 17.645 8.655 5.584 1.00 0.00 O ATOM 0 H SER A 2 15.252 9.575 6.297 1.00 0.00 H new ATOM 0 HA SER A 2 16.984 11.918 5.969 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.783 10.325 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.691 9.848 7.260 1.00 0.00 H new ATOM 0 HG SER A 2 17.053 8.719 4.806 1.00 0.00 H new ATOM 19 N SER A 3 16.933 12.041 3.510 1.00 0.00 N ATOM 20 CA SER A 3 16.945 12.151 2.055 1.00 0.00 C ATOM 21 C SER A 3 18.158 11.437 1.467 1.00 0.00 C ATOM 22 O SER A 3 19.083 11.063 2.187 1.00 0.00 O ATOM 23 CB SER A 3 16.950 13.622 1.634 1.00 0.00 C ATOM 24 OG SER A 3 15.696 14.230 1.890 1.00 0.00 O ATOM 0 H SER A 3 17.096 12.920 4.001 1.00 0.00 H new ATOM 0 HA SER A 3 16.043 11.674 1.671 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.733 14.155 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.185 13.699 0.572 1.00 0.00 H new ATOM 0 HG SER A 3 15.726 15.170 1.614 1.00 0.00 H new ATOM 30 N GLY A 4 18.147 11.252 0.150 1.00 0.00 N ATOM 31 CA GLY A 4 19.250 10.583 -0.514 1.00 0.00 C ATOM 32 C GLY A 4 18.849 9.244 -1.100 1.00 0.00 C ATOM 33 O GLY A 4 19.431 8.213 -0.765 1.00 0.00 O ATOM 0 H GLY A 4 17.394 11.554 -0.468 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.634 11.223 -1.308 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.063 10.436 0.197 1.00 0.00 H new ATOM 37 N SER A 5 17.851 9.259 -1.977 1.00 0.00 N ATOM 38 CA SER A 5 17.368 8.035 -2.607 1.00 0.00 C ATOM 39 C SER A 5 17.852 7.940 -4.051 1.00 0.00 C ATOM 40 O SER A 5 17.235 8.492 -4.962 1.00 0.00 O ATOM 41 CB SER A 5 15.840 7.984 -2.565 1.00 0.00 C ATOM 42 OG SER A 5 15.364 6.690 -2.895 1.00 0.00 O ATOM 0 H SER A 5 17.361 10.105 -2.268 1.00 0.00 H new ATOM 0 HA SER A 5 17.768 7.187 -2.051 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.491 8.261 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.429 8.715 -3.262 1.00 0.00 H new ATOM 0 HG SER A 5 14.385 6.683 -2.860 1.00 0.00 H new ATOM 48 N SER A 6 18.961 7.236 -4.251 1.00 0.00 N ATOM 49 CA SER A 6 19.531 7.071 -5.583 1.00 0.00 C ATOM 50 C SER A 6 18.785 5.993 -6.364 1.00 0.00 C ATOM 51 O SER A 6 19.283 4.882 -6.541 1.00 0.00 O ATOM 52 CB SER A 6 21.015 6.710 -5.485 1.00 0.00 C ATOM 53 OG SER A 6 21.217 5.617 -4.606 1.00 0.00 O ATOM 0 H SER A 6 19.483 6.771 -3.508 1.00 0.00 H new ATOM 0 HA SER A 6 19.428 8.017 -6.114 1.00 0.00 H new ATOM 0 HB2 SER A 6 21.398 6.460 -6.475 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.580 7.573 -5.133 1.00 0.00 H new ATOM 0 HG SER A 6 20.677 4.855 -4.902 1.00 0.00 H new ATOM 59 N GLY A 7 17.586 6.330 -6.828 1.00 0.00 N ATOM 60 CA GLY A 7 16.789 5.381 -7.584 1.00 0.00 C ATOM 61 C GLY A 7 16.897 3.971 -7.040 1.00 0.00 C ATOM 62 O GLY A 7 17.668 3.148 -7.535 1.00 0.00 O ATOM 0 H GLY A 7 17.152 7.243 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.745 5.694 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.109 5.391 -8.626 1.00 0.00 H new ATOM 66 N PRO A 8 16.110 3.674 -5.995 1.00 0.00 N ATOM 67 CA PRO A 8 16.103 2.353 -5.359 1.00 0.00 C ATOM 68 C PRO A 8 15.485 1.283 -6.253 1.00 0.00 C ATOM 69 O PRO A 8 15.179 1.535 -7.419 1.00 0.00 O ATOM 70 CB PRO A 8 15.245 2.565 -4.109 1.00 0.00 C ATOM 71 CG PRO A 8 14.360 3.715 -4.448 1.00 0.00 C ATOM 72 CD PRO A 8 15.166 4.605 -5.354 1.00 0.00 C ATOM 0 HA PRO A 8 17.111 1.998 -5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 8 14.663 1.674 -3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 8 15.862 2.784 -3.238 1.00 0.00 H new ATOM 0 HG2 PRO A 8 13.451 3.375 -4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 8 14.053 4.249 -3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.536 5.107 -6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 8 15.686 5.383 -4.795 1.00 0.00 H new ATOM 80 N PHE A 9 15.305 0.088 -5.700 1.00 0.00 N ATOM 81 CA PHE A 9 14.725 -1.021 -6.448 1.00 0.00 C ATOM 82 C PHE A 9 13.260 -0.748 -6.776 1.00 0.00 C ATOM 83 O PHE A 9 12.733 -1.243 -7.773 1.00 0.00 O ATOM 84 CB PHE A 9 14.847 -2.321 -5.651 1.00 0.00 C ATOM 85 CG PHE A 9 16.229 -2.911 -5.675 1.00 0.00 C ATOM 86 CD1 PHE A 9 17.225 -2.408 -4.853 1.00 0.00 C ATOM 87 CD2 PHE A 9 16.531 -3.968 -6.518 1.00 0.00 C ATOM 88 CE1 PHE A 9 18.497 -2.949 -4.873 1.00 0.00 C ATOM 89 CE2 PHE A 9 17.801 -4.513 -6.542 1.00 0.00 C ATOM 90 CZ PHE A 9 18.785 -4.003 -5.718 1.00 0.00 C ATOM 0 H PHE A 9 15.553 -0.137 -4.736 1.00 0.00 H new ATOM 0 HA PHE A 9 15.276 -1.123 -7.383 1.00 0.00 H new ATOM 0 HB2 PHE A 9 14.559 -2.132 -4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.142 -3.050 -6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 9 17.005 -1.585 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 9 15.765 -4.371 -7.164 1.00 0.00 H new ATOM 0 HE1 PHE A 9 19.265 -2.548 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 9 18.024 -5.337 -7.204 1.00 0.00 H new ATOM 0 HZ PHE A 9 19.778 -4.428 -5.734 1.00 0.00 H new ATOM 100 N ILE A 10 12.608 0.042 -5.930 1.00 0.00 N ATOM 101 CA ILE A 10 11.204 0.381 -6.129 1.00 0.00 C ATOM 102 C ILE A 10 11.018 1.238 -7.376 1.00 0.00 C ATOM 103 O ILE A 10 11.008 2.467 -7.301 1.00 0.00 O ATOM 104 CB ILE A 10 10.628 1.131 -4.913 1.00 0.00 C ATOM 105 CG1 ILE A 10 10.737 0.267 -3.655 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.180 1.522 -5.170 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.597 1.051 -2.370 1.00 0.00 C ATOM 0 H ILE A 10 13.029 0.459 -5.100 1.00 0.00 H new ATOM 0 HA ILE A 10 10.666 -0.559 -6.253 1.00 0.00 H new ATOM 0 HB ILE A 10 11.208 2.041 -4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.968 -0.504 -3.686 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.700 -0.243 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.786 2.051 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.128 2.170 -6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.587 0.625 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.685 0.375 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.382 1.805 -2.316 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.623 1.540 -2.346 1.00 0.00 H new ATOM 119 N MET A 11 10.868 0.582 -8.522 1.00 0.00 N ATOM 120 CA MET A 11 10.678 1.284 -9.786 1.00 0.00 C ATOM 121 C MET A 11 9.675 2.422 -9.630 1.00 0.00 C ATOM 122 O MET A 11 9.793 3.461 -10.281 1.00 0.00 O ATOM 123 CB MET A 11 10.202 0.313 -10.867 1.00 0.00 C ATOM 124 CG MET A 11 11.080 -0.920 -11.006 1.00 0.00 C ATOM 125 SD MET A 11 12.830 -0.513 -11.156 1.00 0.00 S ATOM 126 CE MET A 11 13.581 -2.068 -10.680 1.00 0.00 C ATOM 0 H MET A 11 10.874 -0.435 -8.601 1.00 0.00 H new ATOM 0 HA MET A 11 11.637 1.707 -10.086 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.183 -0.000 -10.639 1.00 0.00 H new ATOM 0 HB3 MET A 11 10.169 0.835 -11.823 1.00 0.00 H new ATOM 0 HG2 MET A 11 10.934 -1.565 -10.139 1.00 0.00 H new ATOM 0 HG3 MET A 11 10.767 -1.488 -11.882 1.00 0.00 H new ATOM 0 HE1 MET A 11 14.183 -1.922 -9.783 1.00 0.00 H new ATOM 0 HE2 MET A 11 12.801 -2.802 -10.478 1.00 0.00 H new ATOM 0 HE3 MET A 11 14.217 -2.428 -11.489 1.00 0.00 H new ATOM 136 N ASP A 12 8.688 2.220 -8.764 1.00 0.00 N ATOM 137 CA ASP A 12 7.664 3.230 -8.522 1.00 0.00 C ATOM 138 C ASP A 12 7.232 3.227 -7.059 1.00 0.00 C ATOM 139 O ASP A 12 6.677 2.244 -6.568 1.00 0.00 O ATOM 140 CB ASP A 12 6.453 2.986 -9.424 1.00 0.00 C ATOM 141 CG ASP A 12 6.563 3.713 -10.750 1.00 0.00 C ATOM 142 OD1 ASP A 12 7.275 3.211 -11.645 1.00 0.00 O ATOM 143 OD2 ASP A 12 5.937 4.784 -10.892 1.00 0.00 O ATOM 0 H ASP A 12 8.575 1.366 -8.218 1.00 0.00 H new ATOM 0 HA ASP A 12 8.090 4.206 -8.754 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.349 1.916 -9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.549 3.310 -8.909 1.00 0.00 H new ATOM 148 N ALA A 13 7.492 4.332 -6.368 1.00 0.00 N ATOM 149 CA ALA A 13 7.130 4.457 -4.962 1.00 0.00 C ATOM 150 C ALA A 13 5.741 5.067 -4.805 1.00 0.00 C ATOM 151 O ALA A 13 5.332 5.944 -5.566 1.00 0.00 O ATOM 152 CB ALA A 13 8.163 5.294 -4.223 1.00 0.00 C ATOM 0 H ALA A 13 7.952 5.154 -6.760 1.00 0.00 H new ATOM 0 HA ALA A 13 7.111 3.458 -4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.880 5.379 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.140 4.816 -4.297 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.211 6.288 -4.667 1.00 0.00 H new ATOM 158 N PRO A 14 4.996 4.593 -3.795 1.00 0.00 N ATOM 159 CA PRO A 14 3.642 5.078 -3.514 1.00 0.00 C ATOM 160 C PRO A 14 3.636 6.505 -2.979 1.00 0.00 C ATOM 161 O PRO A 14 4.623 6.967 -2.405 1.00 0.00 O ATOM 162 CB PRO A 14 3.130 4.105 -2.449 1.00 0.00 C ATOM 163 CG PRO A 14 4.359 3.592 -1.783 1.00 0.00 C ATOM 164 CD PRO A 14 5.420 3.548 -2.848 1.00 0.00 C ATOM 0 HA PRO A 14 3.026 5.110 -4.413 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.474 4.606 -1.737 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.555 3.295 -2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.658 4.243 -0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.189 2.602 -1.360 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.409 3.754 -2.439 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.470 2.569 -3.325 1.00 0.00 H new ATOM 172 N ARG A 15 2.519 7.200 -3.169 1.00 0.00 N ATOM 173 CA ARG A 15 2.386 8.575 -2.705 1.00 0.00 C ATOM 174 C ARG A 15 1.053 8.782 -1.992 1.00 0.00 C ATOM 175 O ARG A 15 0.034 8.212 -2.382 1.00 0.00 O ATOM 176 CB ARG A 15 2.504 9.546 -3.881 1.00 0.00 C ATOM 177 CG ARG A 15 2.964 10.938 -3.478 1.00 0.00 C ATOM 178 CD ARG A 15 3.554 11.693 -4.659 1.00 0.00 C ATOM 179 NE ARG A 15 2.535 12.431 -5.400 1.00 0.00 N ATOM 180 CZ ARG A 15 2.044 13.602 -5.008 1.00 0.00 C ATOM 181 NH1 ARG A 15 2.476 14.164 -3.888 1.00 0.00 N ATOM 182 NH2 ARG A 15 1.118 14.212 -5.737 1.00 0.00 N ATOM 0 H ARG A 15 1.693 6.833 -3.641 1.00 0.00 H new ATOM 0 HA ARG A 15 3.191 8.773 -1.997 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.205 9.138 -4.609 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.536 9.622 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.121 11.497 -3.071 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.708 10.861 -2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.316 12.386 -4.302 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.050 10.990 -5.328 1.00 0.00 H new ATOM 0 HE ARG A 15 2.181 12.025 -6.266 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.187 13.698 -3.325 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.097 15.063 -3.589 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.783 13.782 -6.599 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.742 15.111 -5.435 1.00 0.00 H new ATOM 196 N ASP A 16 1.068 9.602 -0.947 1.00 0.00 N ATOM 197 CA ASP A 16 -0.140 9.885 -0.180 1.00 0.00 C ATOM 198 C ASP A 16 -1.367 9.903 -1.086 1.00 0.00 C ATOM 199 O ASP A 16 -1.335 10.463 -2.183 1.00 0.00 O ATOM 200 CB ASP A 16 -0.007 11.224 0.546 1.00 0.00 C ATOM 201 CG ASP A 16 0.115 12.393 -0.413 1.00 0.00 C ATOM 202 OD1 ASP A 16 0.677 12.202 -1.511 1.00 0.00 O ATOM 203 OD2 ASP A 16 -0.351 13.498 -0.064 1.00 0.00 O ATOM 0 H ASP A 16 1.903 10.082 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.267 9.092 0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.875 11.374 1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.869 11.197 1.195 1.00 0.00 H new ATOM 208 N LEU A 17 -2.448 9.286 -0.621 1.00 0.00 N ATOM 209 CA LEU A 17 -3.687 9.230 -1.390 1.00 0.00 C ATOM 210 C LEU A 17 -4.881 9.626 -0.528 1.00 0.00 C ATOM 211 O LEU A 17 -5.053 9.121 0.581 1.00 0.00 O ATOM 212 CB LEU A 17 -3.896 7.824 -1.956 1.00 0.00 C ATOM 213 CG LEU A 17 -5.285 7.528 -2.521 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.360 7.917 -3.989 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.632 6.057 -2.339 1.00 0.00 C ATOM 0 H LEU A 17 -2.492 8.818 0.284 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.606 9.939 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.162 7.659 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.685 7.102 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.014 8.124 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.357 7.699 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.156 8.983 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.621 7.349 -4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.624 5.864 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.899 5.443 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.622 5.809 -1.278 1.00 0.00 H new ATOM 227 N ASN A 18 -5.705 10.531 -1.046 1.00 0.00 N ATOM 228 CA ASN A 18 -6.884 10.994 -0.324 1.00 0.00 C ATOM 229 C ASN A 18 -8.157 10.419 -0.938 1.00 0.00 C ATOM 230 O ASN A 18 -8.565 10.815 -2.030 1.00 0.00 O ATOM 231 CB ASN A 18 -6.946 12.522 -0.332 1.00 0.00 C ATOM 232 CG ASN A 18 -7.428 13.075 -1.660 1.00 0.00 C ATOM 233 OD1 ASN A 18 -6.986 12.639 -2.723 1.00 0.00 O ATOM 234 ND2 ASN A 18 -8.338 14.040 -1.604 1.00 0.00 N ATOM 0 H ASN A 18 -5.578 10.958 -1.963 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.808 10.646 0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.612 12.860 0.462 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.957 12.924 -0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.699 14.451 -2.465 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -8.676 14.370 -0.700 1.00 0.00 H new ATOM 241 N ILE A 19 -8.781 9.485 -0.227 1.00 0.00 N ATOM 242 CA ILE A 19 -10.008 8.857 -0.701 1.00 0.00 C ATOM 243 C ILE A 19 -11.094 8.896 0.369 1.00 0.00 C ATOM 244 O ILE A 19 -10.801 8.937 1.564 1.00 0.00 O ATOM 245 CB ILE A 19 -9.767 7.395 -1.120 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.039 6.799 -1.726 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.307 6.571 0.074 1.00 0.00 C ATOM 248 CD1 ILE A 19 -10.807 5.496 -2.459 1.00 0.00 C ATOM 0 H ILE A 19 -8.457 9.147 0.679 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.338 9.425 -1.571 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.982 7.374 -1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.767 6.635 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.476 7.521 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.141 5.540 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.378 6.986 0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.072 6.596 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.752 5.132 -2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.103 5.658 -3.275 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.399 4.758 -1.769 1.00 0.00 H new ATOM 260 N SER A 20 -12.349 8.881 -0.068 1.00 0.00 N ATOM 261 CA SER A 20 -13.479 8.916 0.852 1.00 0.00 C ATOM 262 C SER A 20 -13.725 7.540 1.463 1.00 0.00 C ATOM 263 O SER A 20 -13.247 6.528 0.952 1.00 0.00 O ATOM 264 CB SER A 20 -14.738 9.398 0.128 1.00 0.00 C ATOM 265 OG SER A 20 -14.624 10.761 -0.242 1.00 0.00 O ATOM 0 H SER A 20 -12.609 8.845 -1.054 1.00 0.00 H new ATOM 0 HA SER A 20 -13.241 9.613 1.655 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.905 8.790 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.606 9.265 0.774 1.00 0.00 H new ATOM 0 HG SER A 20 -15.440 11.044 -0.704 1.00 0.00 H new ATOM 271 N GLU A 21 -14.475 7.513 2.561 1.00 0.00 N ATOM 272 CA GLU A 21 -14.784 6.261 3.243 1.00 0.00 C ATOM 273 C GLU A 21 -15.749 5.416 2.417 1.00 0.00 C ATOM 274 O GLU A 21 -16.598 5.945 1.700 1.00 0.00 O ATOM 275 CB GLU A 21 -15.384 6.541 4.622 1.00 0.00 C ATOM 276 CG GLU A 21 -15.987 5.313 5.284 1.00 0.00 C ATOM 277 CD GLU A 21 -17.449 5.119 4.932 1.00 0.00 C ATOM 278 OE1 GLU A 21 -18.109 6.114 4.567 1.00 0.00 O ATOM 279 OE2 GLU A 21 -17.933 3.971 5.021 1.00 0.00 O ATOM 0 H GLU A 21 -14.879 8.342 2.996 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.855 5.704 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.609 6.949 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.154 7.306 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.424 4.429 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.886 5.402 6.366 1.00 0.00 H new ATOM 286 N GLY A 22 -15.613 4.098 2.524 1.00 0.00 N ATOM 287 CA GLY A 22 -16.479 3.200 1.782 1.00 0.00 C ATOM 288 C GLY A 22 -16.226 3.253 0.289 1.00 0.00 C ATOM 289 O GLY A 22 -17.145 3.072 -0.510 1.00 0.00 O ATOM 0 H GLY A 22 -14.919 3.636 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.329 2.180 2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.519 3.457 1.980 1.00 0.00 H new ATOM 293 N ARG A 23 -14.977 3.504 -0.090 1.00 0.00 N ATOM 294 CA ARG A 23 -14.607 3.584 -1.498 1.00 0.00 C ATOM 295 C ARG A 23 -13.405 2.692 -1.796 1.00 0.00 C ATOM 296 O ARG A 23 -12.757 2.182 -0.882 1.00 0.00 O ATOM 297 CB ARG A 23 -14.290 5.030 -1.883 1.00 0.00 C ATOM 298 CG ARG A 23 -15.476 5.971 -1.746 1.00 0.00 C ATOM 299 CD ARG A 23 -15.348 7.167 -2.676 1.00 0.00 C ATOM 300 NE ARG A 23 -16.449 8.112 -2.506 1.00 0.00 N ATOM 301 CZ ARG A 23 -16.404 9.374 -2.919 1.00 0.00 C ATOM 302 NH1 ARG A 23 -15.319 9.840 -3.523 1.00 0.00 N ATOM 303 NH2 ARG A 23 -17.446 10.173 -2.728 1.00 0.00 N ATOM 0 H ARG A 23 -14.204 3.655 0.558 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.453 3.235 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.475 5.393 -1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.936 5.053 -2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.397 5.432 -1.969 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.550 6.317 -0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.402 7.674 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.323 6.822 -3.710 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.298 7.785 -2.045 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.516 9.229 -3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.288 10.809 -3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.282 9.818 -2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.411 11.142 -3.045 1.00 0.00 H new ATOM 317 N MET A 24 -13.115 2.508 -3.080 1.00 0.00 N ATOM 318 CA MET A 24 -11.991 1.679 -3.497 1.00 0.00 C ATOM 319 C MET A 24 -10.721 2.513 -3.635 1.00 0.00 C ATOM 320 O MET A 24 -10.719 3.552 -4.294 1.00 0.00 O ATOM 321 CB MET A 24 -12.306 0.986 -4.824 1.00 0.00 C ATOM 322 CG MET A 24 -11.598 -0.348 -4.997 1.00 0.00 C ATOM 323 SD MET A 24 -12.326 -1.358 -6.301 1.00 0.00 S ATOM 324 CE MET A 24 -11.810 -2.995 -5.790 1.00 0.00 C ATOM 0 H MET A 24 -13.643 2.922 -3.849 1.00 0.00 H new ATOM 0 HA MET A 24 -11.826 0.923 -2.730 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.382 0.829 -4.896 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.025 1.646 -5.645 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.547 -0.170 -5.225 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.632 -0.897 -4.056 1.00 0.00 H new ATOM 0 HE1 MET A 24 -12.583 -3.718 -6.050 1.00 0.00 H new ATOM 0 HE2 MET A 24 -10.882 -3.259 -6.297 1.00 0.00 H new ATOM 0 HE3 MET A 24 -11.651 -3.006 -4.712 1.00 0.00 H new ATOM 334 N ALA A 25 -9.643 2.050 -3.009 1.00 0.00 N ATOM 335 CA ALA A 25 -8.368 2.753 -3.064 1.00 0.00 C ATOM 336 C ALA A 25 -7.244 1.819 -3.501 1.00 0.00 C ATOM 337 O ALA A 25 -7.367 0.598 -3.401 1.00 0.00 O ATOM 338 CB ALA A 25 -8.047 3.371 -1.711 1.00 0.00 C ATOM 0 H ALA A 25 -9.628 1.191 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.452 3.549 -3.804 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.092 3.893 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.831 4.077 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.988 2.586 -0.957 1.00 0.00 H new ATOM 344 N GLU A 26 -6.152 2.400 -3.985 1.00 0.00 N ATOM 345 CA GLU A 26 -5.008 1.618 -4.439 1.00 0.00 C ATOM 346 C GLU A 26 -3.711 2.406 -4.276 1.00 0.00 C ATOM 347 O GLU A 26 -3.677 3.618 -4.490 1.00 0.00 O ATOM 348 CB GLU A 26 -5.189 1.209 -5.902 1.00 0.00 C ATOM 349 CG GLU A 26 -6.437 0.379 -6.152 1.00 0.00 C ATOM 350 CD GLU A 26 -6.573 -0.049 -7.600 1.00 0.00 C ATOM 351 OE1 GLU A 26 -6.697 0.837 -8.472 1.00 0.00 O ATOM 352 OE2 GLU A 26 -6.554 -1.270 -7.862 1.00 0.00 O ATOM 0 H GLU A 26 -6.035 3.409 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.947 0.720 -3.824 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.230 2.107 -6.519 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.315 0.642 -6.223 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.413 -0.506 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.316 0.955 -5.863 1.00 0.00 H new ATOM 359 N LEU A 27 -2.646 1.708 -3.896 1.00 0.00 N ATOM 360 CA LEU A 27 -1.346 2.341 -3.704 1.00 0.00 C ATOM 361 C LEU A 27 -0.383 1.958 -4.822 1.00 0.00 C ATOM 362 O LEU A 27 -0.036 0.787 -4.984 1.00 0.00 O ATOM 363 CB LEU A 27 -0.757 1.942 -2.349 1.00 0.00 C ATOM 364 CG LEU A 27 -1.174 2.804 -1.157 1.00 0.00 C ATOM 365 CD1 LEU A 27 -0.934 2.061 0.148 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.422 4.127 -1.165 1.00 0.00 C ATOM 0 H LEU A 27 -2.657 0.704 -3.715 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.489 3.421 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.040 0.910 -2.142 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.330 1.966 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.240 3.015 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.236 2.690 0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.518 1.141 0.155 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.125 1.819 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.732 4.727 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.650 3.937 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.644 4.666 -2.086 1.00 0.00 H new ATOM 378 N LYS A 28 0.049 2.951 -5.592 1.00 0.00 N ATOM 379 CA LYS A 28 0.975 2.720 -6.693 1.00 0.00 C ATOM 380 C LYS A 28 2.363 2.360 -6.171 1.00 0.00 C ATOM 381 O LYS A 28 3.075 3.210 -5.636 1.00 0.00 O ATOM 382 CB LYS A 28 1.061 3.961 -7.584 1.00 0.00 C ATOM 383 CG LYS A 28 -0.266 4.351 -8.213 1.00 0.00 C ATOM 384 CD LYS A 28 -0.680 3.368 -9.296 1.00 0.00 C ATOM 385 CE LYS A 28 -1.991 3.779 -9.949 1.00 0.00 C ATOM 386 NZ LYS A 28 -2.371 2.858 -11.055 1.00 0.00 N ATOM 0 H LYS A 28 -0.228 3.925 -5.473 1.00 0.00 H new ATOM 0 HA LYS A 28 0.598 1.883 -7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.433 4.798 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.789 3.781 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.037 4.392 -7.443 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.188 5.351 -8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.102 3.308 -10.053 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.783 2.372 -8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.782 3.792 -9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.902 4.794 -10.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.270 3.171 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.628 2.864 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.481 1.894 -10.681 1.00 0.00 H new ATOM 400 N CYS A 29 2.740 1.096 -6.331 1.00 0.00 N ATOM 401 CA CYS A 29 4.043 0.624 -5.876 1.00 0.00 C ATOM 402 C CYS A 29 4.563 -0.489 -6.779 1.00 0.00 C ATOM 403 O CYS A 29 3.887 -1.496 -6.994 1.00 0.00 O ATOM 404 CB CYS A 29 3.953 0.126 -4.433 1.00 0.00 C ATOM 405 SG CYS A 29 5.516 -0.491 -3.766 1.00 0.00 S ATOM 0 H CYS A 29 2.162 0.380 -6.772 1.00 0.00 H new ATOM 0 HA CYS A 29 4.741 1.460 -5.921 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.596 0.939 -3.801 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.209 -0.669 -4.380 1.00 0.00 H new ATOM 0 HG CYS A 29 5.369 -0.770 -2.505 1.00 0.00 H new ATOM 411 N ARG A 30 5.768 -0.301 -7.307 1.00 0.00 N ATOM 412 CA ARG A 30 6.379 -1.288 -8.190 1.00 0.00 C ATOM 413 C ARG A 30 7.561 -1.971 -7.508 1.00 0.00 C ATOM 414 O ARG A 30 8.371 -1.320 -6.846 1.00 0.00 O ATOM 415 CB ARG A 30 6.839 -0.626 -9.490 1.00 0.00 C ATOM 416 CG ARG A 30 5.695 -0.226 -10.407 1.00 0.00 C ATOM 417 CD ARG A 30 5.234 -1.394 -11.265 1.00 0.00 C ATOM 418 NE ARG A 30 4.660 -0.950 -12.532 1.00 0.00 N ATOM 419 CZ ARG A 30 5.361 -0.345 -13.485 1.00 0.00 C ATOM 420 NH1 ARG A 30 6.655 -0.115 -13.315 1.00 0.00 N ATOM 421 NH2 ARG A 30 4.767 0.029 -14.611 1.00 0.00 N ATOM 0 H ARG A 30 6.341 0.526 -7.139 1.00 0.00 H new ATOM 0 HA ARG A 30 5.629 -2.044 -8.421 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.427 0.260 -9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.498 -1.311 -10.023 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.860 0.140 -9.810 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.012 0.596 -11.049 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.078 -2.055 -11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.494 -1.977 -10.716 1.00 0.00 H new ATOM 0 HE ARG A 30 3.666 -1.113 -12.694 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.115 -0.403 -12.451 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.191 0.350 -14.048 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.771 -0.148 -14.746 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.306 0.493 -15.342 1.00 0.00 H new ATOM 435 N THR A 31 7.654 -3.287 -7.672 1.00 0.00 N ATOM 436 CA THR A 31 8.735 -4.058 -7.072 1.00 0.00 C ATOM 437 C THR A 31 9.443 -4.916 -8.114 1.00 0.00 C ATOM 438 O THR A 31 8.860 -5.322 -9.119 1.00 0.00 O ATOM 439 CB THR A 31 8.216 -4.967 -5.941 1.00 0.00 C ATOM 440 OG1 THR A 31 7.014 -5.625 -6.355 1.00 0.00 O ATOM 441 CG2 THR A 31 7.950 -4.161 -4.678 1.00 0.00 C ATOM 0 H THR A 31 6.993 -3.841 -8.216 1.00 0.00 H new ATOM 0 HA THR A 31 9.442 -3.340 -6.656 1.00 0.00 H new ATOM 0 HB THR A 31 8.981 -5.712 -5.723 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.091 -6.586 -6.181 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.584 -4.824 -3.894 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.874 -3.684 -4.349 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.201 -3.397 -4.885 1.00 0.00 H new ATOM 449 N PRO A 32 10.731 -5.200 -7.871 1.00 0.00 N ATOM 450 CA PRO A 32 11.546 -6.015 -8.777 1.00 0.00 C ATOM 451 C PRO A 32 11.122 -7.479 -8.781 1.00 0.00 C ATOM 452 O PRO A 32 10.350 -7.929 -7.933 1.00 0.00 O ATOM 453 CB PRO A 32 12.960 -5.869 -8.209 1.00 0.00 C ATOM 454 CG PRO A 32 12.759 -5.554 -6.767 1.00 0.00 C ATOM 455 CD PRO A 32 11.490 -4.750 -6.692 1.00 0.00 C ATOM 0 HA PRO A 32 11.452 -5.690 -9.813 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.535 -6.786 -8.337 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.510 -5.075 -8.715 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.679 -6.466 -6.176 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.603 -4.990 -6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 32 10.947 -4.942 -5.767 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.690 -3.679 -6.728 1.00 0.00 H new ATOM 463 N PRO A 33 11.636 -8.242 -9.757 1.00 0.00 N ATOM 464 CA PRO A 33 11.324 -9.668 -9.893 1.00 0.00 C ATOM 465 C PRO A 33 11.941 -10.506 -8.779 1.00 0.00 C ATOM 466 O PRO A 33 13.051 -10.231 -8.325 1.00 0.00 O ATOM 467 CB PRO A 33 11.941 -10.038 -11.245 1.00 0.00 C ATOM 468 CG PRO A 33 13.034 -9.046 -11.446 1.00 0.00 C ATOM 469 CD PRO A 33 12.561 -7.773 -10.801 1.00 0.00 C ATOM 0 HA PRO A 33 10.253 -9.858 -9.831 1.00 0.00 H new ATOM 0 HB2 PRO A 33 12.328 -11.057 -11.238 1.00 0.00 H new ATOM 0 HB3 PRO A 33 11.203 -9.982 -12.046 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.963 -9.392 -10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.234 -8.895 -12.507 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.390 -7.205 -10.378 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.061 -7.121 -11.518 1.00 0.00 H new ATOM 477 N MET A 34 11.214 -11.529 -8.342 1.00 0.00 N ATOM 478 CA MET A 34 11.692 -12.408 -7.281 1.00 0.00 C ATOM 479 C MET A 34 11.921 -11.628 -5.991 1.00 0.00 C ATOM 480 O MET A 34 12.912 -11.842 -5.292 1.00 0.00 O ATOM 481 CB MET A 34 12.987 -13.101 -7.708 1.00 0.00 C ATOM 482 CG MET A 34 12.834 -13.962 -8.952 1.00 0.00 C ATOM 483 SD MET A 34 14.057 -15.284 -9.036 1.00 0.00 S ATOM 484 CE MET A 34 15.563 -14.339 -9.253 1.00 0.00 C ATOM 0 H MET A 34 10.292 -11.770 -8.706 1.00 0.00 H new ATOM 0 HA MET A 34 10.928 -13.163 -7.097 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.751 -12.345 -7.891 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.344 -13.723 -6.887 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.834 -14.396 -8.968 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.923 -13.333 -9.838 1.00 0.00 H new ATOM 0 HE1 MET A 34 16.408 -15.020 -9.358 1.00 0.00 H new ATOM 0 HE2 MET A 34 15.480 -13.723 -10.149 1.00 0.00 H new ATOM 0 HE3 MET A 34 15.719 -13.698 -8.385 1.00 0.00 H new ATOM 494 N SER A 35 10.998 -10.723 -5.680 1.00 0.00 N ATOM 495 CA SER A 35 11.102 -9.908 -4.475 1.00 0.00 C ATOM 496 C SER A 35 9.871 -10.086 -3.591 1.00 0.00 C ATOM 497 O SER A 35 8.799 -10.458 -4.068 1.00 0.00 O ATOM 498 CB SER A 35 11.269 -8.433 -4.845 1.00 0.00 C ATOM 499 OG SER A 35 10.033 -7.862 -5.240 1.00 0.00 O ATOM 0 H SER A 35 10.170 -10.536 -6.246 1.00 0.00 H new ATOM 0 HA SER A 35 11.979 -10.237 -3.918 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.671 -7.885 -3.993 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.992 -8.338 -5.655 1.00 0.00 H new ATOM 0 HG SER A 35 9.951 -7.902 -6.216 1.00 0.00 H new ATOM 505 N SER A 36 10.034 -9.817 -2.300 1.00 0.00 N ATOM 506 CA SER A 36 8.939 -9.951 -1.347 1.00 0.00 C ATOM 507 C SER A 36 8.195 -8.628 -1.184 1.00 0.00 C ATOM 508 O SER A 36 8.807 -7.582 -0.965 1.00 0.00 O ATOM 509 CB SER A 36 9.469 -10.421 0.009 1.00 0.00 C ATOM 510 OG SER A 36 9.965 -11.746 -0.069 1.00 0.00 O ATOM 0 H SER A 36 10.914 -9.505 -1.890 1.00 0.00 H new ATOM 0 HA SER A 36 8.242 -10.695 -1.734 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.261 -9.752 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.673 -10.371 0.752 1.00 0.00 H new ATOM 0 HG SER A 36 10.299 -12.022 0.810 1.00 0.00 H new ATOM 516 N VAL A 37 6.872 -8.683 -1.294 1.00 0.00 N ATOM 517 CA VAL A 37 6.043 -7.491 -1.158 1.00 0.00 C ATOM 518 C VAL A 37 5.193 -7.554 0.106 1.00 0.00 C ATOM 519 O VAL A 37 4.496 -8.539 0.351 1.00 0.00 O ATOM 520 CB VAL A 37 5.120 -7.308 -2.377 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.183 -6.128 -2.165 1.00 0.00 C ATOM 522 CG2 VAL A 37 5.940 -7.127 -3.645 1.00 0.00 C ATOM 0 H VAL A 37 6.351 -9.540 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 37 6.720 -6.639 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 37 4.514 -8.207 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.538 -6.014 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.570 -6.304 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.768 -5.219 -2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.271 -6.999 -4.496 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.573 -6.246 -3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.564 -8.006 -3.803 1.00 0.00 H new ATOM 532 N LYS A 38 5.254 -6.495 0.906 1.00 0.00 N ATOM 533 CA LYS A 38 4.488 -6.427 2.145 1.00 0.00 C ATOM 534 C LYS A 38 4.028 -4.999 2.422 1.00 0.00 C ATOM 535 O LYS A 38 4.562 -4.044 1.859 1.00 0.00 O ATOM 536 CB LYS A 38 5.329 -6.939 3.317 1.00 0.00 C ATOM 537 CG LYS A 38 5.883 -8.337 3.102 1.00 0.00 C ATOM 538 CD LYS A 38 6.284 -8.986 4.416 1.00 0.00 C ATOM 539 CE LYS A 38 5.106 -9.690 5.072 1.00 0.00 C ATOM 540 NZ LYS A 38 5.474 -10.274 6.392 1.00 0.00 N ATOM 0 H LYS A 38 5.826 -5.672 0.718 1.00 0.00 H new ATOM 0 HA LYS A 38 3.607 -7.059 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.157 -6.251 3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.719 -6.934 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.134 -8.953 2.604 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.748 -8.289 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.085 -9.703 4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.679 -8.228 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.287 -8.982 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.742 -10.479 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.645 -10.745 6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.238 -10.968 6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.797 -9.517 7.028 1.00 0.00 H new ATOM 554 N TRP A 39 3.036 -4.862 3.294 1.00 0.00 N ATOM 555 CA TRP A 39 2.505 -3.550 3.647 1.00 0.00 C ATOM 556 C TRP A 39 2.182 -3.476 5.135 1.00 0.00 C ATOM 557 O TRP A 39 1.390 -4.267 5.649 1.00 0.00 O ATOM 558 CB TRP A 39 1.251 -3.246 2.825 1.00 0.00 C ATOM 559 CG TRP A 39 1.548 -2.891 1.399 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.715 -3.757 0.357 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.714 -1.575 0.860 1.00 0.00 C ATOM 562 NE1 TRP A 39 1.975 -3.059 -0.798 1.00 0.00 N ATOM 563 CE2 TRP A 39 1.979 -1.719 -0.516 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.662 -0.290 1.406 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.192 -0.625 -1.350 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.874 0.795 0.576 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.136 0.622 -0.789 1.00 0.00 C ATOM 0 H TRP A 39 2.583 -5.642 3.770 1.00 0.00 H new ATOM 0 HA TRP A 39 3.268 -2.805 3.422 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.592 -4.114 2.846 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.710 -2.423 3.292 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.652 -4.833 0.430 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.138 -3.472 -1.716 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.460 -0.147 2.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.394 -0.756 -2.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.837 1.793 0.987 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.297 1.490 -1.411 1.00 0.00 H new ATOM 578 N LEU A 40 2.798 -2.521 5.823 1.00 0.00 N ATOM 579 CA LEU A 40 2.575 -2.343 7.254 1.00 0.00 C ATOM 580 C LEU A 40 1.457 -1.338 7.510 1.00 0.00 C ATOM 581 O LEU A 40 1.346 -0.326 6.816 1.00 0.00 O ATOM 582 CB LEU A 40 3.862 -1.877 7.936 1.00 0.00 C ATOM 583 CG LEU A 40 3.855 -1.893 9.465 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.264 -2.089 10.004 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.249 -0.608 10.009 1.00 0.00 C ATOM 0 H LEU A 40 3.456 -1.858 5.413 1.00 0.00 H new ATOM 0 HA LEU A 40 2.277 -3.304 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.682 -2.507 7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.078 -0.861 7.604 1.00 0.00 H new ATOM 0 HG LEU A 40 3.241 -2.730 9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.239 -2.098 11.094 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.663 -3.037 9.643 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.901 -1.273 9.662 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.252 -0.637 11.099 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.836 0.244 9.667 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.224 -0.509 9.652 1.00 0.00 H new ATOM 597 N LEU A 41 0.632 -1.621 8.512 1.00 0.00 N ATOM 598 CA LEU A 41 -0.477 -0.741 8.862 1.00 0.00 C ATOM 599 C LEU A 41 -0.127 0.122 10.071 1.00 0.00 C ATOM 600 O LEU A 41 0.690 -0.250 10.914 1.00 0.00 O ATOM 601 CB LEU A 41 -1.734 -1.562 9.155 1.00 0.00 C ATOM 602 CG LEU A 41 -2.174 -2.530 8.055 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.206 -1.827 6.707 1.00 0.00 C ATOM 604 CD2 LEU A 41 -1.251 -3.738 8.007 1.00 0.00 C ATOM 0 H LEU A 41 0.710 -2.453 9.096 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.669 -0.085 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.566 -2.133 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.555 -0.874 9.356 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.181 -2.877 8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.521 -2.531 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.909 -0.995 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.211 -1.451 6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.579 -4.416 7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.232 -3.409 7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.279 -4.256 8.966 1.00 0.00 H new ATOM 616 N PRO A 42 -0.759 1.301 10.160 1.00 0.00 N ATOM 617 CA PRO A 42 -0.533 2.239 11.263 1.00 0.00 C ATOM 618 C PRO A 42 -1.095 1.727 12.584 1.00 0.00 C ATOM 619 O PRO A 42 -1.060 2.426 13.597 1.00 0.00 O ATOM 620 CB PRO A 42 -1.280 3.499 10.816 1.00 0.00 C ATOM 621 CG PRO A 42 -2.334 3.004 9.887 1.00 0.00 C ATOM 622 CD PRO A 42 -1.745 1.809 9.191 1.00 0.00 C ATOM 0 HA PRO A 42 0.529 2.400 11.450 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.716 4.023 11.666 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.611 4.200 10.318 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.238 2.732 10.432 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.615 3.775 9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.505 1.062 8.962 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.275 2.085 8.247 1.00 0.00 H new ATOM 630 N ASN A 43 -1.612 0.503 12.567 1.00 0.00 N ATOM 631 CA ASN A 43 -2.182 -0.103 13.766 1.00 0.00 C ATOM 632 C ASN A 43 -1.201 -1.086 14.397 1.00 0.00 C ATOM 633 O ASN A 43 -1.369 -1.496 15.545 1.00 0.00 O ATOM 634 CB ASN A 43 -3.491 -0.818 13.427 1.00 0.00 C ATOM 635 CG ASN A 43 -3.273 -2.265 13.028 1.00 0.00 C ATOM 636 OD1 ASN A 43 -2.927 -3.104 13.859 1.00 0.00 O ATOM 637 ND2 ASN A 43 -3.476 -2.562 11.749 1.00 0.00 N ATOM 0 H ASN A 43 -1.648 -0.089 11.737 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.385 0.692 14.484 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.157 -0.778 14.289 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.990 -0.291 12.614 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.345 -3.519 11.421 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.762 -1.833 11.095 1.00 0.00 H new ATOM 644 N GLY A 44 -0.174 -1.459 13.639 1.00 0.00 N ATOM 645 CA GLY A 44 0.819 -2.390 14.141 1.00 0.00 C ATOM 646 C GLY A 44 0.668 -3.776 13.546 1.00 0.00 C ATOM 647 O GLY A 44 0.441 -4.749 14.266 1.00 0.00 O ATOM 0 H GLY A 44 -0.012 -1.133 12.686 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.815 -2.009 13.918 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.738 -2.453 15.226 1.00 0.00 H new ATOM 651 N THR A 45 0.792 -3.868 12.225 1.00 0.00 N ATOM 652 CA THR A 45 0.665 -5.144 11.532 1.00 0.00 C ATOM 653 C THR A 45 1.173 -5.044 10.099 1.00 0.00 C ATOM 654 O THR A 45 1.454 -3.953 9.603 1.00 0.00 O ATOM 655 CB THR A 45 -0.796 -5.630 11.514 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.393 -5.437 12.801 1.00 0.00 O ATOM 657 CG2 THR A 45 -0.873 -7.100 11.130 1.00 0.00 C ATOM 0 H THR A 45 0.980 -3.073 11.614 1.00 0.00 H new ATOM 0 HA THR A 45 1.273 -5.864 12.081 1.00 0.00 H new ATOM 0 HB THR A 45 -1.340 -5.047 10.770 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.744 -5.663 13.500 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.915 -7.420 11.124 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.445 -7.240 10.137 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.315 -7.695 11.853 1.00 0.00 H new ATOM 665 N VAL A 46 1.290 -6.191 9.436 1.00 0.00 N ATOM 666 CA VAL A 46 1.763 -6.232 8.057 1.00 0.00 C ATOM 667 C VAL A 46 1.103 -7.367 7.284 1.00 0.00 C ATOM 668 O VAL A 46 0.891 -8.457 7.818 1.00 0.00 O ATOM 669 CB VAL A 46 3.292 -6.403 7.994 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.782 -6.304 6.557 1.00 0.00 C ATOM 671 CG2 VAL A 46 3.981 -5.371 8.873 1.00 0.00 C ATOM 0 H VAL A 46 1.064 -7.104 9.832 1.00 0.00 H new ATOM 0 HA VAL A 46 1.492 -5.280 7.600 1.00 0.00 H new ATOM 0 HB VAL A 46 3.545 -7.394 8.371 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.865 -6.427 6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.314 -7.086 5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.519 -5.328 6.149 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.061 -5.507 8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.723 -4.369 8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.654 -5.496 9.905 1.00 0.00 H new ATOM 681 N LEU A 47 0.779 -7.106 6.022 1.00 0.00 N ATOM 682 CA LEU A 47 0.142 -8.107 5.172 1.00 0.00 C ATOM 683 C LEU A 47 1.064 -8.515 4.028 1.00 0.00 C ATOM 684 O LEU A 47 2.152 -7.962 3.866 1.00 0.00 O ATOM 685 CB LEU A 47 -1.175 -7.566 4.614 1.00 0.00 C ATOM 686 CG LEU A 47 -2.284 -7.314 5.635 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.447 -6.577 4.989 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.756 -8.626 6.246 1.00 0.00 C ATOM 0 H LEU A 47 0.947 -6.210 5.565 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.063 -8.988 5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.969 -6.631 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.547 -8.270 3.870 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.882 -6.689 6.432 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.227 -6.406 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.100 -5.619 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.849 -7.176 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.546 -8.427 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.140 -9.276 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.920 -9.116 6.746 1.00 0.00 H new ATOM 700 N SER A 48 0.620 -9.486 3.235 1.00 0.00 N ATOM 701 CA SER A 48 1.406 -9.970 2.106 1.00 0.00 C ATOM 702 C SER A 48 0.525 -10.723 1.114 1.00 0.00 C ATOM 703 O SER A 48 -0.624 -11.053 1.412 1.00 0.00 O ATOM 704 CB SER A 48 2.535 -10.878 2.595 1.00 0.00 C ATOM 705 OG SER A 48 3.644 -10.834 1.714 1.00 0.00 O ATOM 0 H SER A 48 -0.279 -9.952 3.354 1.00 0.00 H new ATOM 0 HA SER A 48 1.838 -9.107 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.847 -10.570 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.172 -11.903 2.677 1.00 0.00 H new ATOM 0 HG SER A 48 3.715 -9.939 1.322 1.00 0.00 H new ATOM 711 N HIS A 49 1.071 -10.993 -0.067 1.00 0.00 N ATOM 712 CA HIS A 49 0.336 -11.708 -1.104 1.00 0.00 C ATOM 713 C HIS A 49 -0.417 -12.897 -0.514 1.00 0.00 C ATOM 714 O HIS A 49 -1.451 -13.311 -1.038 1.00 0.00 O ATOM 715 CB HIS A 49 1.291 -12.186 -2.198 1.00 0.00 C ATOM 716 CG HIS A 49 0.658 -12.265 -3.553 1.00 0.00 C ATOM 717 ND1 HIS A 49 -0.623 -12.731 -3.759 1.00 0.00 N ATOM 718 CD2 HIS A 49 1.136 -11.932 -4.775 1.00 0.00 C ATOM 719 CE1 HIS A 49 -0.905 -12.683 -5.049 1.00 0.00 C ATOM 720 NE2 HIS A 49 0.146 -12.201 -5.687 1.00 0.00 N ATOM 0 H HIS A 49 2.020 -10.727 -0.330 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.389 -11.021 -1.540 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.145 -11.510 -2.244 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.676 -13.169 -1.928 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -1.255 -13.061 -3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.114 -11.529 -4.992 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -1.836 -12.986 -5.504 1.00 0.00 H new ATOM 729 N ALA A 50 0.110 -13.443 0.577 1.00 0.00 N ATOM 730 CA ALA A 50 -0.512 -14.583 1.238 1.00 0.00 C ATOM 731 C ALA A 50 -1.787 -14.167 1.965 1.00 0.00 C ATOM 732 O ALA A 50 -2.846 -14.763 1.771 1.00 0.00 O ATOM 733 CB ALA A 50 0.465 -15.228 2.210 1.00 0.00 C ATOM 0 H ALA A 50 0.967 -13.114 1.022 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.781 -15.312 0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.013 -16.078 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.346 -15.569 1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.763 -14.499 2.964 1.00 0.00 H new ATOM 739 N SER A 51 -1.677 -13.141 2.803 1.00 0.00 N ATOM 740 CA SER A 51 -2.821 -12.649 3.562 1.00 0.00 C ATOM 741 C SER A 51 -4.107 -12.778 2.753 1.00 0.00 C ATOM 742 O SER A 51 -4.104 -12.616 1.532 1.00 0.00 O ATOM 743 CB SER A 51 -2.602 -11.189 3.964 1.00 0.00 C ATOM 744 OG SER A 51 -2.981 -10.310 2.919 1.00 0.00 O ATOM 0 H SER A 51 -0.808 -12.635 2.973 1.00 0.00 H new ATOM 0 HA SER A 51 -2.917 -13.257 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.181 -10.965 4.860 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.553 -11.031 4.214 1.00 0.00 H new ATOM 0 HG SER A 51 -2.306 -10.335 2.209 1.00 0.00 H new ATOM 750 N ARG A 52 -5.205 -13.072 3.441 1.00 0.00 N ATOM 751 CA ARG A 52 -6.499 -13.225 2.787 1.00 0.00 C ATOM 752 C ARG A 52 -7.404 -12.033 3.087 1.00 0.00 C ATOM 753 O ARG A 52 -8.622 -12.106 2.917 1.00 0.00 O ATOM 754 CB ARG A 52 -7.175 -14.519 3.242 1.00 0.00 C ATOM 755 CG ARG A 52 -8.188 -15.060 2.247 1.00 0.00 C ATOM 756 CD ARG A 52 -8.496 -16.527 2.506 1.00 0.00 C ATOM 757 NE ARG A 52 -9.825 -16.900 2.029 1.00 0.00 N ATOM 758 CZ ARG A 52 -10.116 -17.097 0.748 1.00 0.00 C ATOM 759 NH1 ARG A 52 -9.178 -16.958 -0.178 1.00 0.00 N ATOM 760 NH2 ARG A 52 -11.349 -17.435 0.391 1.00 0.00 N ATOM 0 H ARG A 52 -5.224 -13.209 4.452 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.331 -13.270 1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.411 -15.276 3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.673 -14.343 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.107 -14.478 2.309 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.804 -14.941 1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.747 -17.147 2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.425 -16.729 3.575 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.570 -17.015 2.716 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.229 -16.699 0.092 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.405 -17.110 -1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.074 -17.544 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.572 -17.586 -0.593 1.00 0.00 H new ATOM 774 N HIS A 53 -6.801 -10.937 3.535 1.00 0.00 N ATOM 775 CA HIS A 53 -7.552 -9.729 3.859 1.00 0.00 C ATOM 776 C HIS A 53 -8.460 -9.326 2.700 1.00 0.00 C ATOM 777 O HIS A 53 -8.035 -9.243 1.548 1.00 0.00 O ATOM 778 CB HIS A 53 -6.597 -8.584 4.196 1.00 0.00 C ATOM 779 CG HIS A 53 -7.187 -7.564 5.121 1.00 0.00 C ATOM 780 ND1 HIS A 53 -8.181 -6.687 4.739 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.919 -7.285 6.418 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.497 -5.912 5.761 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.746 -6.255 6.793 1.00 0.00 N ATOM 0 H HIS A 53 -5.795 -10.860 3.682 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.174 -9.940 4.728 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.695 -8.996 4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.293 -8.092 3.272 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -6.190 -7.780 7.042 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.243 -5.131 5.754 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.776 -5.825 7.717 1.00 0.00 H new ATOM 792 N PRO A 54 -9.739 -9.072 3.011 1.00 0.00 N ATOM 793 CA PRO A 54 -10.733 -8.674 2.009 1.00 0.00 C ATOM 794 C PRO A 54 -10.482 -7.270 1.469 1.00 0.00 C ATOM 795 O PRO A 54 -10.426 -7.062 0.257 1.00 0.00 O ATOM 796 CB PRO A 54 -12.054 -8.722 2.781 1.00 0.00 C ATOM 797 CG PRO A 54 -11.668 -8.516 4.205 1.00 0.00 C ATOM 798 CD PRO A 54 -10.315 -9.152 4.364 1.00 0.00 C ATOM 0 HA PRO A 54 -10.711 -9.323 1.134 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.740 -7.946 2.441 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.559 -9.678 2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.631 -7.454 4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.395 -8.973 4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.704 -8.620 5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.394 -10.184 4.707 1.00 0.00 H new ATOM 806 N ARG A 55 -10.332 -6.311 2.376 1.00 0.00 N ATOM 807 CA ARG A 55 -10.088 -4.926 1.990 1.00 0.00 C ATOM 808 C ARG A 55 -8.683 -4.761 1.418 1.00 0.00 C ATOM 809 O ARG A 55 -8.515 -4.497 0.227 1.00 0.00 O ATOM 810 CB ARG A 55 -10.272 -3.999 3.193 1.00 0.00 C ATOM 811 CG ARG A 55 -11.680 -4.015 3.765 1.00 0.00 C ATOM 812 CD ARG A 55 -11.804 -3.094 4.968 1.00 0.00 C ATOM 813 NE ARG A 55 -10.611 -3.130 5.810 1.00 0.00 N ATOM 814 CZ ARG A 55 -9.540 -2.371 5.600 1.00 0.00 C ATOM 815 NH1 ARG A 55 -9.514 -1.522 4.582 1.00 0.00 N ATOM 816 NH2 ARG A 55 -8.493 -2.461 6.411 1.00 0.00 N ATOM 0 H ARG A 55 -10.375 -6.467 3.383 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.810 -4.657 1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.568 -4.287 3.974 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.021 -2.980 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.389 -3.708 2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.944 -5.032 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -11.976 -2.073 4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.673 -3.384 5.558 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.599 -3.772 6.602 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.317 -1.450 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.691 -0.941 4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.510 -3.113 7.196 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.671 -1.879 6.250 1.00 0.00 H new ATOM 830 N ILE A 56 -7.679 -4.918 2.273 1.00 0.00 N ATOM 831 CA ILE A 56 -6.289 -4.786 1.852 1.00 0.00 C ATOM 832 C ILE A 56 -5.864 -5.967 0.986 1.00 0.00 C ATOM 833 O ILE A 56 -5.573 -7.050 1.495 1.00 0.00 O ATOM 834 CB ILE A 56 -5.342 -4.683 3.062 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.870 -3.656 4.065 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.939 -4.312 2.605 1.00 0.00 C ATOM 837 CD1 ILE A 56 -5.245 -3.774 5.437 1.00 0.00 C ATOM 0 H ILE A 56 -7.801 -5.137 3.262 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.221 -3.868 1.269 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.298 -5.654 3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.688 -2.654 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.950 -3.771 4.156 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.281 -4.243 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.564 -5.076 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.966 -3.351 2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.667 -3.015 6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.450 -4.763 5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.167 -3.629 5.360 1.00 0.00 H new ATOM 849 N SER A 57 -5.827 -5.750 -0.324 1.00 0.00 N ATOM 850 CA SER A 57 -5.439 -6.797 -1.262 1.00 0.00 C ATOM 851 C SER A 57 -4.107 -6.463 -1.928 1.00 0.00 C ATOM 852 O SER A 57 -3.984 -5.457 -2.627 1.00 0.00 O ATOM 853 CB SER A 57 -6.521 -6.985 -2.327 1.00 0.00 C ATOM 854 OG SER A 57 -7.639 -7.679 -1.800 1.00 0.00 O ATOM 0 H SER A 57 -6.061 -4.858 -0.761 1.00 0.00 H new ATOM 0 HA SER A 57 -5.324 -7.726 -0.704 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.837 -6.013 -2.704 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.111 -7.537 -3.173 1.00 0.00 H new ATOM 0 HG SER A 57 -8.317 -7.785 -2.499 1.00 0.00 H new ATOM 860 N VAL A 58 -3.111 -7.315 -1.706 1.00 0.00 N ATOM 861 CA VAL A 58 -1.788 -7.113 -2.284 1.00 0.00 C ATOM 862 C VAL A 58 -1.693 -7.738 -3.671 1.00 0.00 C ATOM 863 O VAL A 58 -1.503 -8.947 -3.808 1.00 0.00 O ATOM 864 CB VAL A 58 -0.687 -7.709 -1.388 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.683 -7.498 -2.013 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.746 -7.100 0.005 1.00 0.00 C ATOM 0 H VAL A 58 -3.196 -8.152 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.638 -6.036 -2.363 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.857 -8.782 -1.298 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.448 -7.926 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.718 -7.986 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.867 -6.431 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.039 -7.533 0.625 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.602 -6.022 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.718 -7.309 0.452 1.00 0.00 H new ATOM 876 N LEU A 59 -1.827 -6.907 -4.699 1.00 0.00 N ATOM 877 CA LEU A 59 -1.756 -7.377 -6.078 1.00 0.00 C ATOM 878 C LEU A 59 -0.342 -7.834 -6.425 1.00 0.00 C ATOM 879 O LEU A 59 0.639 -7.252 -5.965 1.00 0.00 O ATOM 880 CB LEU A 59 -2.197 -6.272 -7.038 1.00 0.00 C ATOM 881 CG LEU A 59 -3.496 -5.549 -6.679 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.756 -4.406 -7.647 1.00 0.00 C ATOM 883 CD2 LEU A 59 -4.664 -6.524 -6.675 1.00 0.00 C ATOM 0 H LEU A 59 -1.985 -5.904 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.429 -8.228 -6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.399 -5.533 -7.100 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.309 -6.705 -8.032 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.393 -5.132 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.684 -3.903 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.931 -3.695 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.839 -4.799 -8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.580 -5.993 -6.418 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.769 -6.970 -7.664 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.481 -7.308 -5.941 1.00 0.00 H new ATOM 895 N ASN A 60 -0.247 -8.879 -7.241 1.00 0.00 N ATOM 896 CA ASN A 60 1.046 -9.413 -7.651 1.00 0.00 C ATOM 897 C ASN A 60 2.015 -8.286 -7.998 1.00 0.00 C ATOM 898 O ASN A 60 3.056 -8.131 -7.361 1.00 0.00 O ATOM 899 CB ASN A 60 0.878 -10.345 -8.854 1.00 0.00 C ATOM 900 CG ASN A 60 2.104 -10.362 -9.747 1.00 0.00 C ATOM 901 OD1 ASN A 60 2.043 -9.962 -10.910 1.00 0.00 O ATOM 902 ND2 ASN A 60 3.224 -10.827 -9.206 1.00 0.00 N ATOM 0 H ASN A 60 -1.050 -9.372 -7.631 1.00 0.00 H new ATOM 0 HA ASN A 60 1.459 -9.979 -6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.675 -11.356 -8.501 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.012 -10.030 -9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.081 -10.863 -9.759 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.228 -11.148 -8.238 1.00 0.00 H new ATOM 909 N ASP A 61 1.663 -7.503 -9.012 1.00 0.00 N ATOM 910 CA ASP A 61 2.500 -6.389 -9.443 1.00 0.00 C ATOM 911 C ASP A 61 3.163 -5.713 -8.247 1.00 0.00 C ATOM 912 O ASP A 61 4.336 -5.344 -8.301 1.00 0.00 O ATOM 913 CB ASP A 61 1.668 -5.371 -10.224 1.00 0.00 C ATOM 914 CG ASP A 61 0.301 -5.145 -9.608 1.00 0.00 C ATOM 915 OD1 ASP A 61 0.210 -4.368 -8.634 1.00 0.00 O ATOM 916 OD2 ASP A 61 -0.677 -5.746 -10.099 1.00 0.00 O ATOM 0 H ASP A 61 0.805 -7.619 -9.550 1.00 0.00 H new ATOM 0 HA ASP A 61 3.281 -6.783 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.205 -4.423 -10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.548 -5.716 -11.251 1.00 0.00 H new ATOM 921 N GLY A 62 2.403 -5.552 -7.168 1.00 0.00 N ATOM 922 CA GLY A 62 2.934 -4.919 -5.975 1.00 0.00 C ATOM 923 C GLY A 62 2.152 -3.683 -5.577 1.00 0.00 C ATOM 924 O GLY A 62 2.734 -2.654 -5.232 1.00 0.00 O ATOM 0 H GLY A 62 1.430 -5.849 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.921 -5.634 -5.152 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.976 -4.647 -6.145 1.00 0.00 H new ATOM 928 N THR A 63 0.827 -3.781 -5.628 1.00 0.00 N ATOM 929 CA THR A 63 -0.037 -2.662 -5.273 1.00 0.00 C ATOM 930 C THR A 63 -0.989 -3.039 -4.144 1.00 0.00 C ATOM 931 O THR A 63 -1.486 -4.164 -4.086 1.00 0.00 O ATOM 932 CB THR A 63 -0.858 -2.181 -6.484 1.00 0.00 C ATOM 933 OG1 THR A 63 0.016 -1.677 -7.500 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.844 -1.097 -6.073 1.00 0.00 C ATOM 0 H THR A 63 0.329 -4.625 -5.912 1.00 0.00 H new ATOM 0 HA THR A 63 0.613 -1.853 -4.940 1.00 0.00 H new ATOM 0 HB THR A 63 -1.418 -3.030 -6.876 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.270 -2.406 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.413 -0.773 -6.945 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.527 -1.492 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.300 -0.248 -5.659 1.00 0.00 H new ATOM 942 N LEU A 64 -1.242 -2.090 -3.249 1.00 0.00 N ATOM 943 CA LEU A 64 -2.137 -2.323 -2.121 1.00 0.00 C ATOM 944 C LEU A 64 -3.526 -1.759 -2.402 1.00 0.00 C ATOM 945 O LEU A 64 -3.734 -0.547 -2.365 1.00 0.00 O ATOM 946 CB LEU A 64 -1.565 -1.689 -0.851 1.00 0.00 C ATOM 947 CG LEU A 64 -2.085 -2.250 0.472 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.708 -3.717 0.615 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.545 -1.442 1.643 1.00 0.00 C ATOM 0 H LEU A 64 -0.840 -1.153 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.224 -3.400 -1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.481 -1.802 -0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.775 -0.620 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.172 -2.174 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.087 -4.099 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.144 -4.286 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.623 -3.818 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.926 -1.856 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.456 -1.486 1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.866 -0.405 1.548 1.00 0.00 H new ATOM 961 N ASN A 65 -4.474 -2.647 -2.682 1.00 0.00 N ATOM 962 CA ASN A 65 -5.845 -2.238 -2.969 1.00 0.00 C ATOM 963 C ASN A 65 -6.706 -2.303 -1.711 1.00 0.00 C ATOM 964 O ASN A 65 -6.462 -3.117 -0.820 1.00 0.00 O ATOM 965 CB ASN A 65 -6.447 -3.127 -4.059 1.00 0.00 C ATOM 966 CG ASN A 65 -7.879 -2.751 -4.386 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.760 -2.815 -3.529 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.117 -2.356 -5.632 1.00 0.00 N ATOM 0 H ASN A 65 -4.319 -3.655 -2.716 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.824 -1.207 -3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.840 -3.053 -4.961 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.412 -4.167 -3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.061 -2.090 -5.911 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.355 -2.318 -6.309 1.00 0.00 H new ATOM 975 N PHE A 66 -7.715 -1.441 -1.646 1.00 0.00 N ATOM 976 CA PHE A 66 -8.612 -1.400 -0.498 1.00 0.00 C ATOM 977 C PHE A 66 -10.071 -1.401 -0.948 1.00 0.00 C ATOM 978 O PHE A 66 -10.580 -0.396 -1.442 1.00 0.00 O ATOM 979 CB PHE A 66 -8.331 -0.159 0.352 1.00 0.00 C ATOM 980 CG PHE A 66 -6.949 -0.137 0.941 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.832 -0.141 0.121 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.767 -0.112 2.314 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.559 -0.121 0.659 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.497 -0.091 2.858 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.392 -0.096 2.030 1.00 0.00 C ATOM 0 H PHE A 66 -7.932 -0.761 -2.375 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.434 -2.292 0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.470 0.731 -0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.062 -0.108 1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.958 -0.160 -0.951 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.627 -0.109 2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.697 -0.125 0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.369 -0.071 3.930 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.399 -0.080 2.454 1.00 0.00 H new ATOM 995 N SER A 67 -10.736 -2.539 -0.772 1.00 0.00 N ATOM 996 CA SER A 67 -12.134 -2.674 -1.164 1.00 0.00 C ATOM 997 C SER A 67 -12.953 -1.481 -0.678 1.00 0.00 C ATOM 998 O SER A 67 -13.629 -0.816 -1.463 1.00 0.00 O ATOM 999 CB SER A 67 -12.720 -3.971 -0.602 1.00 0.00 C ATOM 1000 OG SER A 67 -13.952 -4.287 -1.227 1.00 0.00 O ATOM 0 H SER A 67 -10.330 -3.379 -0.361 1.00 0.00 H new ATOM 0 HA SER A 67 -12.179 -2.704 -2.253 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.013 -4.787 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.869 -3.870 0.473 1.00 0.00 H new ATOM 0 HG SER A 67 -14.305 -5.121 -0.852 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.886 -1.216 0.623 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.619 -0.103 1.215 1.00 0.00 C ATOM 1008 C HIS A 68 -12.892 0.434 2.444 1.00 0.00 C ATOM 1009 O HIS A 68 -12.890 -0.196 3.502 1.00 0.00 O ATOM 1010 CB HIS A 68 -15.034 -0.542 1.596 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.067 -1.617 2.639 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.302 -1.551 3.971 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.838 -2.947 2.357 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.213 -2.830 4.463 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.933 -3.653 3.470 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.332 -1.757 1.287 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.681 0.694 0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.588 0.323 1.960 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.548 -0.898 0.703 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.616 -3.349 1.380 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.350 -3.116 5.495 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.811 -4.663 3.548 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.275 1.602 2.297 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.545 2.224 3.395 1.00 0.00 C ATOM 1026 C VAL A 69 -12.499 2.754 4.460 1.00 0.00 C ATOM 1027 O VAL A 69 -13.674 3.002 4.187 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.658 3.381 2.895 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.606 2.866 1.925 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.509 4.462 2.247 1.00 0.00 C ATOM 0 H VAL A 69 -12.266 2.136 1.428 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.911 1.452 3.831 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.145 3.819 3.751 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.989 3.697 1.582 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.978 2.130 2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.096 2.401 1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.867 5.271 1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.051 4.040 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.220 4.851 2.976 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.986 2.924 5.673 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.793 3.425 6.781 1.00 0.00 C ATOM 1042 C LEU A 70 -12.055 4.525 7.538 1.00 0.00 C ATOM 1043 O LEU A 70 -10.844 4.694 7.385 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.149 2.284 7.735 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.506 0.949 7.080 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.150 -0.208 8.000 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.983 0.910 6.718 1.00 0.00 C ATOM 0 H LEU A 70 -11.016 2.723 5.915 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.710 3.845 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.306 2.122 8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.991 2.601 8.350 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.926 0.849 6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.411 -1.150 7.518 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.080 -0.191 8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.703 -0.113 8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.219 -0.047 6.253 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.582 1.032 7.620 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.208 1.717 6.021 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.790 5.268 8.357 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.205 6.350 9.142 1.00 0.00 C ATOM 1061 C LEU A 71 -11.159 5.814 10.113 1.00 0.00 C ATOM 1062 O LEU A 71 -10.322 6.564 10.616 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.297 7.096 9.910 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.388 7.751 9.062 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.430 8.412 9.950 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.781 8.765 8.103 1.00 0.00 C ATOM 0 H LEU A 71 -13.793 5.141 8.495 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.715 7.041 8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.771 6.396 10.598 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.824 7.868 10.516 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.880 6.975 8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.198 8.873 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.887 7.662 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.953 9.176 10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.572 9.221 7.508 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.263 9.538 8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.073 8.263 7.443 1.00 0.00 H new ATOM 1078 N SER A 72 -11.210 4.511 10.371 1.00 0.00 N ATOM 1079 CA SER A 72 -10.267 3.875 11.284 1.00 0.00 C ATOM 1080 C SER A 72 -9.012 3.426 10.542 1.00 0.00 C ATOM 1081 O SER A 72 -8.016 3.047 11.158 1.00 0.00 O ATOM 1082 CB SER A 72 -10.922 2.676 11.973 1.00 0.00 C ATOM 1083 OG SER A 72 -11.751 3.093 13.044 1.00 0.00 O ATOM 0 H SER A 72 -11.894 3.875 9.961 1.00 0.00 H new ATOM 0 HA SER A 72 -9.980 4.607 12.039 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.513 2.115 11.249 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.151 2.002 12.347 1.00 0.00 H new ATOM 0 HG SER A 72 -12.159 2.308 13.466 1.00 0.00 H new ATOM 1089 N ASP A 73 -9.068 3.473 9.216 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.936 3.072 8.388 1.00 0.00 C ATOM 1091 C ASP A 73 -6.996 4.250 8.147 1.00 0.00 C ATOM 1092 O ASP A 73 -5.865 4.073 7.692 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.426 2.512 7.052 1.00 0.00 C ATOM 1094 CG ASP A 73 -8.979 1.107 7.181 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -8.181 0.174 7.414 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -10.209 0.939 7.051 1.00 0.00 O ATOM 0 H ASP A 73 -9.885 3.785 8.691 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.387 2.294 8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.198 3.167 6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.603 2.511 6.338 1.00 0.00 H new ATOM 1101 N THR A 74 -7.472 5.453 8.453 1.00 0.00 N ATOM 1102 CA THR A 74 -6.676 6.659 8.267 1.00 0.00 C ATOM 1103 C THR A 74 -5.352 6.565 9.017 1.00 0.00 C ATOM 1104 O THR A 74 -5.319 6.224 10.198 1.00 0.00 O ATOM 1105 CB THR A 74 -7.435 7.912 8.745 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.630 8.084 7.975 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.563 9.152 8.621 1.00 0.00 C ATOM 0 H THR A 74 -8.405 5.618 8.831 1.00 0.00 H new ATOM 0 HA THR A 74 -6.480 6.747 7.198 1.00 0.00 H new ATOM 0 HB THR A 74 -7.696 7.774 9.794 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.108 8.881 8.286 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.120 10.024 8.964 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.668 9.030 9.231 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.276 9.292 7.579 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.260 6.871 8.321 1.00 0.00 N ATOM 1116 CA GLY A 75 -2.948 6.815 8.938 1.00 0.00 C ATOM 1117 C GLY A 75 -1.827 6.839 7.918 1.00 0.00 C ATOM 1118 O GLY A 75 -1.828 7.661 7.002 1.00 0.00 O ATOM 0 H GLY A 75 -4.261 7.156 7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.834 7.658 9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.870 5.908 9.538 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.865 5.935 8.077 1.00 0.00 N ATOM 1123 CA VAL A 76 0.268 5.855 7.163 1.00 0.00 C ATOM 1124 C VAL A 76 0.599 4.407 6.822 1.00 0.00 C ATOM 1125 O VAL A 76 0.694 3.556 7.707 1.00 0.00 O ATOM 1126 CB VAL A 76 1.519 6.529 7.759 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.688 6.437 6.791 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.224 7.978 8.116 1.00 0.00 C ATOM 0 H VAL A 76 -0.848 5.248 8.831 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.022 6.382 6.254 1.00 0.00 H new ATOM 0 HB VAL A 76 1.794 6.002 8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.562 6.918 7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.913 5.389 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.428 6.937 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.118 8.439 8.536 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.923 8.520 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.419 8.015 8.849 1.00 0.00 H new ATOM 1138 N TYR A 77 0.773 4.133 5.534 1.00 0.00 N ATOM 1139 CA TYR A 77 1.091 2.786 5.075 1.00 0.00 C ATOM 1140 C TYR A 77 2.518 2.716 4.540 1.00 0.00 C ATOM 1141 O TYR A 77 2.844 3.326 3.522 1.00 0.00 O ATOM 1142 CB TYR A 77 0.106 2.349 3.990 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.319 2.222 4.480 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -2.093 3.350 4.725 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.891 0.975 4.698 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.395 3.239 5.174 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.192 0.854 5.146 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.940 1.989 5.382 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.237 1.874 5.828 1.00 0.00 O ATOM 0 H TYR A 77 0.699 4.826 4.789 1.00 0.00 H new ATOM 0 HA TYR A 77 1.007 2.110 5.926 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.137 3.069 3.172 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.428 1.390 3.584 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.670 4.330 4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.308 0.085 4.514 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.983 4.126 5.361 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.621 -0.123 5.311 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.436 2.607 6.447 1.00 0.00 H new ATOM 1159 N THR A 78 3.367 1.965 5.236 1.00 0.00 N ATOM 1160 CA THR A 78 4.760 1.814 4.833 1.00 0.00 C ATOM 1161 C THR A 78 4.966 0.530 4.038 1.00 0.00 C ATOM 1162 O THR A 78 4.759 -0.570 4.552 1.00 0.00 O ATOM 1163 CB THR A 78 5.699 1.805 6.054 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.473 2.970 6.855 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.155 1.759 5.615 1.00 0.00 C ATOM 0 H THR A 78 3.114 1.452 6.081 1.00 0.00 H new ATOM 0 HA THR A 78 5.002 2.670 4.203 1.00 0.00 H new ATOM 0 HB THR A 78 5.485 0.913 6.643 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.073 2.956 7.630 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.800 1.753 6.494 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.330 0.856 5.030 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.379 2.635 5.006 1.00 0.00 H new ATOM 1173 N CYS A 79 5.375 0.676 2.783 1.00 0.00 N ATOM 1174 CA CYS A 79 5.609 -0.474 1.916 1.00 0.00 C ATOM 1175 C CYS A 79 7.034 -0.992 2.074 1.00 0.00 C ATOM 1176 O CYS A 79 7.993 -0.221 2.045 1.00 0.00 O ATOM 1177 CB CYS A 79 5.348 -0.099 0.456 1.00 0.00 C ATOM 1178 SG CYS A 79 5.601 -1.457 -0.711 1.00 0.00 S ATOM 0 H CYS A 79 5.552 1.579 2.343 1.00 0.00 H new ATOM 0 HA CYS A 79 4.920 -1.266 2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.323 0.261 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.003 0.728 0.182 1.00 0.00 H new ATOM 0 HG CYS A 79 4.453 -1.845 -1.181 1.00 0.00 H new ATOM 1184 N MET A 80 7.166 -2.304 2.243 1.00 0.00 N ATOM 1185 CA MET A 80 8.475 -2.925 2.406 1.00 0.00 C ATOM 1186 C MET A 80 8.885 -3.670 1.139 1.00 0.00 C ATOM 1187 O MET A 80 8.053 -4.282 0.470 1.00 0.00 O ATOM 1188 CB MET A 80 8.462 -3.887 3.595 1.00 0.00 C ATOM 1189 CG MET A 80 7.873 -3.282 4.860 1.00 0.00 C ATOM 1190 SD MET A 80 8.421 -4.129 6.355 1.00 0.00 S ATOM 1191 CE MET A 80 6.911 -4.124 7.319 1.00 0.00 C ATOM 0 H MET A 80 6.383 -2.957 2.271 1.00 0.00 H new ATOM 0 HA MET A 80 9.203 -2.136 2.594 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.890 -4.776 3.327 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.482 -4.214 3.799 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.153 -2.230 4.920 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.785 -3.320 4.804 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.010 -4.819 8.153 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.727 -3.120 7.702 1.00 0.00 H new ATOM 0 HE3 MET A 80 6.076 -4.430 6.689 1.00 0.00 H new ATOM 1201 N VAL A 81 10.173 -3.612 0.815 1.00 0.00 N ATOM 1202 CA VAL A 81 10.694 -4.282 -0.371 1.00 0.00 C ATOM 1203 C VAL A 81 12.010 -4.989 -0.070 1.00 0.00 C ATOM 1204 O VAL A 81 13.037 -4.346 0.153 1.00 0.00 O ATOM 1205 CB VAL A 81 10.910 -3.288 -1.527 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.475 -4.001 -2.746 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.609 -2.579 -1.870 1.00 0.00 C ATOM 0 H VAL A 81 10.875 -3.108 1.357 1.00 0.00 H new ATOM 0 HA VAL A 81 9.950 -5.020 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 81 11.633 -2.538 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.621 -3.283 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.431 -4.458 -2.490 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.779 -4.774 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.780 -1.880 -2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.862 -3.314 -2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.251 -2.034 -0.997 1.00 0.00 H new ATOM 1217 N THR A 82 11.975 -6.318 -0.065 1.00 0.00 N ATOM 1218 CA THR A 82 13.165 -7.113 0.210 1.00 0.00 C ATOM 1219 C THR A 82 13.520 -7.999 -0.979 1.00 0.00 C ATOM 1220 O THR A 82 12.664 -8.692 -1.526 1.00 0.00 O ATOM 1221 CB THR A 82 12.974 -7.998 1.456 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.427 -7.223 2.528 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.296 -8.613 1.891 1.00 0.00 C ATOM 0 H THR A 82 11.135 -6.866 -0.248 1.00 0.00 H new ATOM 0 HA THR A 82 13.979 -6.411 0.393 1.00 0.00 H new ATOM 0 HB THR A 82 12.284 -8.802 1.201 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.920 -6.380 2.607 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.136 -9.234 2.773 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.695 -9.226 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.005 -7.820 2.129 1.00 0.00 H new ATOM 1231 N ASN A 83 14.789 -7.970 -1.374 1.00 0.00 N ATOM 1232 CA ASN A 83 15.258 -8.772 -2.499 1.00 0.00 C ATOM 1233 C ASN A 83 16.651 -9.330 -2.225 1.00 0.00 C ATOM 1234 O ASN A 83 17.255 -9.043 -1.192 1.00 0.00 O ATOM 1235 CB ASN A 83 15.275 -7.932 -3.778 1.00 0.00 C ATOM 1236 CG ASN A 83 15.057 -8.770 -5.022 1.00 0.00 C ATOM 1237 OD1 ASN A 83 14.980 -9.997 -4.953 1.00 0.00 O ATOM 1238 ND2 ASN A 83 14.956 -8.110 -6.170 1.00 0.00 N ATOM 0 H ASN A 83 15.511 -7.400 -0.932 1.00 0.00 H new ATOM 0 HA ASN A 83 14.571 -9.608 -2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.500 -7.168 -3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.230 -7.413 -3.856 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.809 -8.621 -7.041 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.026 -7.092 -6.181 1.00 0.00 H new ATOM 1245 N VAL A 84 17.156 -10.130 -3.160 1.00 0.00 N ATOM 1246 CA VAL A 84 18.478 -10.728 -3.021 1.00 0.00 C ATOM 1247 C VAL A 84 19.570 -9.752 -3.446 1.00 0.00 C ATOM 1248 O VAL A 84 20.746 -9.951 -3.144 1.00 0.00 O ATOM 1249 CB VAL A 84 18.602 -12.015 -3.858 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.001 -11.814 -5.240 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.058 -12.447 -3.957 1.00 0.00 C ATOM 0 H VAL A 84 16.669 -10.378 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 84 18.605 -10.975 -1.967 1.00 0.00 H new ATOM 0 HB VAL A 84 18.045 -12.808 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.098 -12.734 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 84 16.946 -11.556 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.527 -11.008 -5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.128 -13.358 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.640 -11.658 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.450 -12.635 -2.958 1.00 0.00 H new ATOM 1261 N ALA A 85 19.172 -8.696 -4.147 1.00 0.00 N ATOM 1262 CA ALA A 85 20.116 -7.687 -4.611 1.00 0.00 C ATOM 1263 C ALA A 85 20.206 -6.526 -3.627 1.00 0.00 C ATOM 1264 O ALA A 85 21.291 -6.012 -3.356 1.00 0.00 O ATOM 1265 CB ALA A 85 19.714 -7.182 -5.989 1.00 0.00 C ATOM 0 H ALA A 85 18.202 -8.517 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 85 21.100 -8.150 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.428 -6.429 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.707 -8.014 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.718 -6.741 -5.939 1.00 0.00 H new ATOM 1271 N GLY A 86 19.059 -6.117 -3.093 1.00 0.00 N ATOM 1272 CA GLY A 86 19.032 -5.019 -2.145 1.00 0.00 C ATOM 1273 C GLY A 86 17.702 -4.905 -1.427 1.00 0.00 C ATOM 1274 O GLY A 86 16.813 -5.735 -1.618 1.00 0.00 O ATOM 0 H GLY A 86 18.148 -6.527 -3.300 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.827 -5.157 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.240 -4.086 -2.669 1.00 0.00 H new ATOM 1278 N ASN A 87 17.564 -3.876 -0.598 1.00 0.00 N ATOM 1279 CA ASN A 87 16.333 -3.659 0.153 1.00 0.00 C ATOM 1280 C ASN A 87 15.948 -2.182 0.151 1.00 0.00 C ATOM 1281 O ASN A 87 16.809 -1.306 0.073 1.00 0.00 O ATOM 1282 CB ASN A 87 16.495 -4.153 1.592 1.00 0.00 C ATOM 1283 CG ASN A 87 15.217 -4.016 2.398 1.00 0.00 C ATOM 1284 OD1 ASN A 87 14.300 -4.827 2.271 1.00 0.00 O ATOM 1285 ND2 ASN A 87 15.152 -2.985 3.232 1.00 0.00 N ATOM 0 H ASN A 87 18.289 -3.179 -0.429 1.00 0.00 H new ATOM 0 HA ASN A 87 15.537 -4.225 -0.331 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.805 -5.198 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 87 17.291 -3.590 2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.317 -2.840 3.800 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.937 -2.338 3.305 1.00 0.00 H new ATOM 1292 N SER A 88 14.649 -1.915 0.237 1.00 0.00 N ATOM 1293 CA SER A 88 14.149 -0.545 0.242 1.00 0.00 C ATOM 1294 C SER A 88 12.792 -0.465 0.935 1.00 0.00 C ATOM 1295 O SER A 88 12.211 -1.484 1.307 1.00 0.00 O ATOM 1296 CB SER A 88 14.035 -0.017 -1.189 1.00 0.00 C ATOM 1297 OG SER A 88 15.282 0.473 -1.652 1.00 0.00 O ATOM 0 H SER A 88 13.924 -2.629 0.304 1.00 0.00 H new ATOM 0 HA SER A 88 14.857 0.073 0.795 1.00 0.00 H new ATOM 0 HB2 SER A 88 13.686 -0.813 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.291 0.778 -1.228 1.00 0.00 H new ATOM 0 HG SER A 88 16.009 0.026 -1.169 1.00 0.00 H new ATOM 1303 N ASN A 89 12.293 0.755 1.106 1.00 0.00 N ATOM 1304 CA ASN A 89 11.005 0.971 1.755 1.00 0.00 C ATOM 1305 C ASN A 89 10.379 2.285 1.298 1.00 0.00 C ATOM 1306 O ASN A 89 11.056 3.143 0.732 1.00 0.00 O ATOM 1307 CB ASN A 89 11.171 0.972 3.276 1.00 0.00 C ATOM 1308 CG ASN A 89 12.381 1.769 3.724 1.00 0.00 C ATOM 1309 OD1 ASN A 89 13.477 1.227 3.868 1.00 0.00 O ATOM 1310 ND2 ASN A 89 12.187 3.063 3.949 1.00 0.00 N ATOM 0 H ASN A 89 12.761 1.609 0.804 1.00 0.00 H new ATOM 0 HA ASN A 89 10.341 0.155 1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.275 1.387 3.736 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.264 -0.055 3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.964 3.650 4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.261 3.470 3.817 1.00 0.00 H new ATOM 1317 N ALA A 90 9.083 2.436 1.550 1.00 0.00 N ATOM 1318 CA ALA A 90 8.366 3.646 1.168 1.00 0.00 C ATOM 1319 C ALA A 90 7.185 3.901 2.098 1.00 0.00 C ATOM 1320 O ALA A 90 6.681 2.982 2.744 1.00 0.00 O ATOM 1321 CB ALA A 90 7.893 3.546 -0.275 1.00 0.00 C ATOM 0 H ALA A 90 8.508 1.735 2.017 1.00 0.00 H new ATOM 0 HA ALA A 90 9.052 4.488 1.256 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.359 4.457 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.754 3.420 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.227 2.690 -0.381 1.00 0.00 H new ATOM 1327 N SER A 91 6.748 5.155 2.161 1.00 0.00 N ATOM 1328 CA SER A 91 5.628 5.531 3.016 1.00 0.00 C ATOM 1329 C SER A 91 4.537 6.226 2.208 1.00 0.00 C ATOM 1330 O SER A 91 4.751 6.613 1.059 1.00 0.00 O ATOM 1331 CB SER A 91 6.106 6.449 4.144 1.00 0.00 C ATOM 1332 OG SER A 91 7.095 5.813 4.934 1.00 0.00 O ATOM 0 H SER A 91 7.152 5.927 1.631 1.00 0.00 H new ATOM 0 HA SER A 91 5.212 4.621 3.449 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.510 7.369 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.260 6.730 4.771 1.00 0.00 H new ATOM 0 HG SER A 91 7.385 6.420 5.646 1.00 0.00 H new ATOM 1338 N ALA A 92 3.366 6.382 2.817 1.00 0.00 N ATOM 1339 CA ALA A 92 2.241 7.032 2.155 1.00 0.00 C ATOM 1340 C ALA A 92 1.074 7.221 3.118 1.00 0.00 C ATOM 1341 O ALA A 92 0.623 6.271 3.758 1.00 0.00 O ATOM 1342 CB ALA A 92 1.803 6.223 0.943 1.00 0.00 C ATOM 0 H ALA A 92 3.172 6.067 3.768 1.00 0.00 H new ATOM 0 HA ALA A 92 2.566 8.017 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.962 6.720 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.632 6.143 0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.500 5.225 1.261 1.00 0.00 H new ATOM 1348 N TYR A 93 0.588 8.454 3.216 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.525 8.768 4.103 1.00 0.00 C ATOM 1350 C TYR A 93 -1.860 8.603 3.382 1.00 0.00 C ATOM 1351 O TYR A 93 -2.003 8.984 2.219 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.394 10.197 4.634 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.343 10.511 5.769 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.614 11.012 5.519 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -0.968 10.304 7.091 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.483 11.301 6.553 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -1.831 10.589 8.131 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.087 11.088 7.857 1.00 0.00 C ATOM 1359 OH TYR A 93 -3.951 11.373 8.890 1.00 0.00 O ATOM 0 H TYR A 93 0.948 9.252 2.692 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.496 8.071 4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.630 10.357 4.973 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.573 10.897 3.818 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.928 11.178 4.499 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.015 9.914 7.309 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.467 11.692 6.342 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.524 10.422 9.153 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.519 11.166 9.745 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.835 8.032 4.080 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.160 7.815 3.509 1.00 0.00 C ATOM 1371 C LEU A 94 -5.229 8.536 4.324 1.00 0.00 C ATOM 1372 O LEU A 94 -5.495 8.179 5.471 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.472 6.319 3.447 1.00 0.00 C ATOM 1374 CG LEU A 94 -5.905 5.948 3.066 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.097 6.035 1.560 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.247 4.553 3.569 1.00 0.00 C ATOM 0 H LEU A 94 -2.733 7.711 5.043 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.164 8.222 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.795 5.856 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.251 5.881 4.421 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.582 6.659 3.540 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.123 5.767 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.895 7.053 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.411 5.348 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.271 4.306 3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.564 3.829 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.151 4.524 4.654 1.00 0.00 H new ATOM 1388 N ASN A 95 -5.839 9.552 3.722 1.00 0.00 N ATOM 1389 CA ASN A 95 -6.881 10.323 4.392 1.00 0.00 C ATOM 1390 C ASN A 95 -8.265 9.790 4.035 1.00 0.00 C ATOM 1391 O ASN A 95 -8.613 9.672 2.860 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.776 11.800 4.010 1.00 0.00 C ATOM 1393 CG ASN A 95 -7.877 12.638 4.633 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.576 12.188 5.541 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.035 13.863 4.146 1.00 0.00 N ATOM 0 H ASN A 95 -5.630 9.861 2.772 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.739 10.223 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.807 12.186 4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.820 11.896 2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.759 14.473 4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.432 14.194 3.393 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.052 9.471 5.058 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.400 8.953 4.854 1.00 0.00 C ATOM 1404 C VAL A 96 -11.444 9.883 5.461 1.00 0.00 C ATOM 1405 O VAL A 96 -11.460 10.110 6.670 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.560 7.549 5.466 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -11.928 6.973 5.132 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.451 6.627 4.982 1.00 0.00 C ATOM 0 H VAL A 96 -8.779 9.562 6.037 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.556 8.891 3.777 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.483 7.634 6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.022 5.981 5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.705 7.624 5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.038 6.901 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.580 5.639 5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.493 6.546 3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.484 7.034 5.278 1.00 0.00 H new ATOM 1418 N SER A 97 -12.316 10.419 4.612 1.00 0.00 N ATOM 1419 CA SER A 97 -13.363 11.328 5.064 1.00 0.00 C ATOM 1420 C SER A 97 -14.742 10.704 4.876 1.00 0.00 C ATOM 1421 O SER A 97 -15.068 10.204 3.799 1.00 0.00 O ATOM 1422 CB SER A 97 -13.281 12.652 4.303 1.00 0.00 C ATOM 1423 OG SER A 97 -14.381 13.489 4.616 1.00 0.00 O ATOM 0 H SER A 97 -12.318 10.239 3.608 1.00 0.00 H new ATOM 0 HA SER A 97 -13.212 11.518 6.127 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.350 13.161 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.261 12.458 3.231 1.00 0.00 H new ATOM 0 HG SER A 97 -14.304 14.330 4.118 1.00 0.00 H new ATOM 1429 N SER A 98 -15.549 10.737 5.932 1.00 0.00 N ATOM 1430 CA SER A 98 -16.892 10.172 5.885 1.00 0.00 C ATOM 1431 C SER A 98 -17.639 10.647 4.642 1.00 0.00 C ATOM 1432 O SER A 98 -17.480 11.787 4.206 1.00 0.00 O ATOM 1433 CB SER A 98 -17.675 10.558 7.142 1.00 0.00 C ATOM 1434 OG SER A 98 -18.888 9.832 7.231 1.00 0.00 O ATOM 0 H SER A 98 -15.296 11.149 6.830 1.00 0.00 H new ATOM 0 HA SER A 98 -16.801 9.087 5.840 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.067 10.366 8.026 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.888 11.627 7.128 1.00 0.00 H new ATOM 0 HG SER A 98 -19.368 10.096 8.043 1.00 0.00 H new ATOM 1440 N GLY A 99 -18.455 9.763 4.076 1.00 0.00 N ATOM 1441 CA GLY A 99 -19.214 10.109 2.888 1.00 0.00 C ATOM 1442 C GLY A 99 -20.680 10.349 3.187 1.00 0.00 C ATOM 1443 O GLY A 99 -21.161 10.092 4.291 1.00 0.00 O ATOM 0 H GLY A 99 -18.604 8.814 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -18.787 11.004 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -19.122 9.307 2.155 1.00 0.00 H new ATOM 1447 N PRO A 100 -21.417 10.854 2.187 1.00 0.00 N ATOM 1448 CA PRO A 100 -22.848 11.141 2.325 1.00 0.00 C ATOM 1449 C PRO A 100 -23.686 9.872 2.431 1.00 0.00 C ATOM 1450 O PRO A 100 -24.791 9.889 2.975 1.00 0.00 O ATOM 1451 CB PRO A 100 -23.184 11.897 1.036 1.00 0.00 C ATOM 1452 CG PRO A 100 -22.163 11.441 0.052 1.00 0.00 C ATOM 1453 CD PRO A 100 -20.910 11.184 0.844 1.00 0.00 C ATOM 0 HA PRO A 100 -23.065 11.702 3.234 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -24.193 11.668 0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -23.136 12.976 1.186 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -22.492 10.538 -0.462 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -21.993 12.199 -0.713 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -20.328 10.365 0.421 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -20.260 12.059 0.864 1.00 0.00 H new ATOM 1461 N SER A 101 -23.154 8.771 1.910 1.00 0.00 N ATOM 1462 CA SER A 101 -23.855 7.493 1.943 1.00 0.00 C ATOM 1463 C SER A 101 -24.342 7.177 3.355 1.00 0.00 C ATOM 1464 O SER A 101 -23.603 7.333 4.327 1.00 0.00 O ATOM 1465 CB SER A 101 -22.941 6.372 1.445 1.00 0.00 C ATOM 1466 OG SER A 101 -22.460 6.649 0.140 1.00 0.00 O ATOM 0 H SER A 101 -22.239 8.738 1.460 1.00 0.00 H new ATOM 0 HA SER A 101 -24.721 7.565 1.285 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.100 6.253 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 101 -23.486 5.428 1.443 1.00 0.00 H new ATOM 0 HG SER A 101 -21.877 5.919 -0.155 1.00 0.00 H new ATOM 1472 N SER A 102 -25.590 6.733 3.458 1.00 0.00 N ATOM 1473 CA SER A 102 -26.178 6.399 4.750 1.00 0.00 C ATOM 1474 C SER A 102 -26.707 4.968 4.752 1.00 0.00 C ATOM 1475 O SER A 102 -27.741 4.676 4.153 1.00 0.00 O ATOM 1476 CB SER A 102 -27.309 7.373 5.086 1.00 0.00 C ATOM 1477 OG SER A 102 -26.833 8.707 5.140 1.00 0.00 O ATOM 0 H SER A 102 -26.214 6.596 2.663 1.00 0.00 H new ATOM 0 HA SER A 102 -25.399 6.481 5.508 1.00 0.00 H new ATOM 0 HB2 SER A 102 -28.096 7.294 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 102 -27.753 7.103 6.044 1.00 0.00 H new ATOM 0 HG SER A 102 -27.575 9.311 5.355 1.00 0.00 H new ATOM 1483 N GLY A 103 -25.989 4.079 5.431 1.00 0.00 N ATOM 1484 CA GLY A 103 -26.400 2.689 5.499 1.00 0.00 C ATOM 1485 C GLY A 103 -26.054 1.920 4.240 1.00 0.00 C ATOM 1486 O GLY A 103 -26.931 1.607 3.435 1.00 0.00 O ATOM 0 H GLY A 103 -25.130 4.297 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -25.921 2.213 6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -27.476 2.639 5.667 1.00 0.00 H new TER 1490 GLY A 103