USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 0 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 63 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.5!) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 39 GLN : amide:sc= 0.894 K(o=1.6,f=-0.58) USER MOD Set 2.2: A 56 ASN : amide:sc= 0.75 K(o=1.6,f=-0.29) USER MOD Set 3.1: A 19 THR OG1 : rot -129:sc=-0.00694 USER MOD Set 3.2: A 31 ASN : amide:sc= 1.72 K(o=1.7,f=-8.3!) USER MOD Set 4.1: A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 17 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 1 GLY N :NH3+ -173:sc= 1.21 (180deg=0) USER MOD Set 5.2: A 96 THR OG1 : rot 79:sc= 2.12 USER MOD Single : A 2 SER OG : rot 160:sc= -0.0635 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00581 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -76:sc= 0.484 USER MOD Single : A 14 CYS SG : rot 180:sc= -0.361 USER MOD Single : A 18 HIS : no HE2:sc= 0.951 K(o=0.95,f=-4.6!) USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.162 F(o=-1,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ -135:sc= 1.21 (180deg=0.868) USER MOD Single : A 33 HIS : no HE2:sc= 0.738 K(o=0.74,f=-2.6!) USER MOD Single : A 40 SER OG : rot 120:sc= 0.232 USER MOD Single : A 46 TYR OH : rot -0:sc= 1.3 USER MOD Single : A 47 SER OG : rot 51:sc= 0.234 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 178:sc= 2.19 USER MOD Single : A 52 ASN : amide:sc= -0.768 K(o=-0.77,f=-6.3!) USER MOD Single : A 54 LYS NZ :NH3+ 173:sc= 0.437 (180deg=-0.332) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc= 0.364 (180deg=0.0367) USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 64 MET CE :methyl -173:sc= -0.16 (180deg=-0.26) USER MOD Single : A 65 SER OG : rot -150:sc= 0.249 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -167:sc= 1.03 USER MOD Single : A 70 ASN : amide:sc= -0.567 K(o=-0.57,f=-3.7!) USER MOD Single : A 73 LYS NZ :NH3+ -161:sc= 0.941 (180deg=0.454) USER MOD Single : A 78 THR OG1 : rot 160:sc= 0.22 USER MOD Single : A 79 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00347) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -174:sc= 0.836 (180deg=0.446) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0.475 K(o=0.47,f=-0.42) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -163:sc= 1.2 (180deg=0.853) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -42:sc= 1.9 USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 1 -2.852 3.200 -15.916 1.00 0.00 N ATOM 43 CA GLY A 1 -3.721 4.350 -16.096 1.00 0.00 C ATOM 44 C GLY A 1 -2.848 5.582 -16.297 1.00 0.00 C ATOM 45 O GLY A 1 -1.915 5.546 -17.100 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.425 2.332 -15.896 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.175 3.150 -16.704 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.333 3.294 -15.019 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.373 4.202 -16.957 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.365 4.479 -15.226 1.00 0.00 H new ATOM 46 N SER A 2 -3.108 6.658 -15.555 1.00 0.00 N ATOM 47 CA SER A 2 -2.261 7.841 -15.569 1.00 0.00 C ATOM 48 C SER A 2 -1.500 7.975 -14.249 1.00 0.00 C ATOM 49 O SER A 2 -1.828 7.342 -13.250 1.00 0.00 O ATOM 50 CB SER A 2 -3.113 9.079 -15.847 1.00 0.00 C ATOM 51 OG SER A 2 -2.274 10.167 -16.205 1.00 0.00 O ATOM 0 H SER A 2 -3.911 6.730 -14.930 1.00 0.00 H new ATOM 0 HA SER A 2 -1.522 7.744 -16.364 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.820 8.873 -16.651 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.699 9.334 -14.964 1.00 0.00 H new ATOM 0 HG SER A 2 -2.800 10.842 -16.682 1.00 0.00 H new ATOM 52 N ALA A 3 -0.467 8.822 -14.255 1.00 0.00 N ATOM 53 CA ALA A 3 0.231 9.218 -13.042 1.00 0.00 C ATOM 54 C ALA A 3 -0.634 10.207 -12.258 1.00 0.00 C ATOM 55 O ALA A 3 -0.740 10.128 -11.036 1.00 0.00 O ATOM 56 CB ALA A 3 1.582 9.839 -13.405 1.00 0.00 C ATOM 0 H ALA A 3 -0.096 9.249 -15.104 1.00 0.00 H new ATOM 0 HA ALA A 3 0.413 8.344 -12.416 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.103 10.135 -12.494 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.184 9.109 -13.947 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.423 10.716 -14.033 1.00 0.00 H new ATOM 57 N LYS A 4 -1.267 11.149 -12.968 1.00 0.00 N ATOM 58 CA LYS A 4 -2.276 12.002 -12.354 1.00 0.00 C ATOM 59 C LYS A 4 -3.498 11.153 -11.991 1.00 0.00 C ATOM 60 O LYS A 4 -3.577 9.993 -12.383 1.00 0.00 O ATOM 61 CB LYS A 4 -2.644 13.171 -13.283 1.00 0.00 C ATOM 62 CG LYS A 4 -3.138 12.712 -14.665 1.00 0.00 C ATOM 63 CD LYS A 4 -4.010 13.766 -15.363 1.00 0.00 C ATOM 64 CE LYS A 4 -3.206 15.021 -15.736 1.00 0.00 C ATOM 65 NZ LYS A 4 -4.036 16.023 -16.438 1.00 0.00 N ATOM 0 H LYS A 4 -1.097 11.334 -13.957 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.877 12.442 -11.440 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -3.419 13.774 -12.809 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.773 13.814 -13.410 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.279 12.482 -15.295 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.708 11.790 -14.555 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.449 13.335 -16.263 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.835 14.045 -14.708 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.788 15.465 -14.833 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -2.366 14.738 -16.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.455 16.853 -16.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.414 15.608 -17.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.823 16.313 -15.824 1.00 0.00 H new ATOM 66 N LYS A 5 -4.454 11.732 -11.254 1.00 0.00 N ATOM 67 CA LYS A 5 -5.735 11.138 -10.865 1.00 0.00 C ATOM 68 C LYS A 5 -5.518 10.142 -9.725 1.00 0.00 C ATOM 69 O LYS A 5 -6.080 10.292 -8.639 1.00 0.00 O ATOM 70 CB LYS A 5 -6.466 10.553 -12.089 1.00 0.00 C ATOM 71 CG LYS A 5 -7.865 10.003 -11.785 1.00 0.00 C ATOM 72 CD LYS A 5 -8.535 9.561 -13.098 1.00 0.00 C ATOM 73 CE LYS A 5 -9.253 10.690 -13.850 1.00 0.00 C ATOM 74 NZ LYS A 5 -10.546 11.038 -13.227 1.00 0.00 N ATOM 0 H LYS A 5 -4.346 12.680 -10.894 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.402 11.908 -10.478 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.551 11.327 -12.851 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.858 9.754 -12.513 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.795 9.160 -11.097 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.469 10.766 -11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.777 9.129 -13.752 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.254 8.772 -12.878 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.614 11.573 -13.874 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.419 10.388 -14.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.996 11.804 -13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -11.167 10.204 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.387 11.351 -12.248 1.00 0.00 H new ATOM 75 N GLY A 6 -4.629 9.177 -9.945 1.00 0.00 N ATOM 76 CA GLY A 6 -4.163 8.265 -8.913 1.00 0.00 C ATOM 77 C GLY A 6 -3.617 9.044 -7.718 1.00 0.00 C ATOM 78 O GLY A 6 -3.844 8.675 -6.567 1.00 0.00 O ATOM 0 H GLY A 6 -4.208 9.007 -10.859 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.982 7.621 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.386 7.616 -9.317 1.00 0.00 H new ATOM 79 N ALA A 7 -2.939 10.163 -7.996 1.00 0.00 N ATOM 80 CA ALA A 7 -2.464 11.095 -6.988 1.00 0.00 C ATOM 81 C ALA A 7 -3.609 11.563 -6.096 1.00 0.00 C ATOM 82 O ALA A 7 -3.513 11.508 -4.871 1.00 0.00 O ATOM 83 CB ALA A 7 -1.793 12.288 -7.677 1.00 0.00 C ATOM 0 H ALA A 7 -2.705 10.444 -8.948 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.736 10.590 -6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.435 12.989 -6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.952 11.937 -8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.514 12.787 -8.324 1.00 0.00 H new ATOM 84 N THR A 8 -4.693 12.032 -6.711 1.00 0.00 N ATOM 85 CA THR A 8 -5.852 12.530 -6.000 1.00 0.00 C ATOM 86 C THR A 8 -6.418 11.413 -5.129 1.00 0.00 C ATOM 87 O THR A 8 -6.713 11.622 -3.956 1.00 0.00 O ATOM 88 CB THR A 8 -6.870 13.028 -7.032 1.00 0.00 C ATOM 89 OG1 THR A 8 -6.199 13.799 -8.011 1.00 0.00 O ATOM 90 CG2 THR A 8 -7.970 13.866 -6.375 1.00 0.00 C ATOM 0 H THR A 8 -4.785 12.074 -7.726 1.00 0.00 H new ATOM 0 HA THR A 8 -5.592 13.361 -5.344 1.00 0.00 H new ATOM 0 HB THR A 8 -7.344 12.162 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.845 14.119 -8.675 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.674 14.203 -7.136 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.496 13.261 -5.636 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.524 14.732 -5.885 1.00 0.00 H new ATOM 91 N LEU A 9 -6.538 10.214 -5.703 1.00 0.00 N ATOM 92 CA LEU A 9 -7.087 9.066 -5.012 1.00 0.00 C ATOM 93 C LEU A 9 -6.246 8.728 -3.782 1.00 0.00 C ATOM 94 O LEU A 9 -6.777 8.602 -2.681 1.00 0.00 O ATOM 95 CB LEU A 9 -7.185 7.886 -5.990 1.00 0.00 C ATOM 96 CG LEU A 9 -8.628 7.479 -6.312 1.00 0.00 C ATOM 97 CD1 LEU A 9 -9.362 6.977 -5.060 1.00 0.00 C ATOM 98 CD2 LEU A 9 -9.399 8.611 -7.001 1.00 0.00 C ATOM 0 H LEU A 9 -6.254 10.021 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.091 9.294 -4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.674 8.148 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.659 7.029 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.579 6.650 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.382 6.697 -5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.840 6.109 -4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.385 7.768 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.417 8.282 -7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.428 9.482 -6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.902 8.874 -7.935 1.00 0.00 H new ATOM 99 N PHE A 10 -4.926 8.615 -3.961 1.00 0.00 N ATOM 100 CA PHE A 10 -3.994 8.439 -2.856 1.00 0.00 C ATOM 101 C PHE A 10 -4.276 9.496 -1.789 1.00 0.00 C ATOM 102 O PHE A 10 -4.458 9.180 -0.612 1.00 0.00 O ATOM 103 CB PHE A 10 -2.549 8.531 -3.361 1.00 0.00 C ATOM 104 CG PHE A 10 -1.506 8.361 -2.270 1.00 0.00 C ATOM 105 CD1 PHE A 10 -1.134 9.458 -1.470 1.00 0.00 C ATOM 106 CD2 PHE A 10 -0.986 7.085 -1.984 1.00 0.00 C ATOM 107 CE1 PHE A 10 -0.358 9.255 -0.316 1.00 0.00 C ATOM 108 CE2 PHE A 10 -0.155 6.899 -0.862 1.00 0.00 C ATOM 109 CZ PHE A 10 0.090 7.967 0.015 1.00 0.00 C ATOM 0 H PHE A 10 -4.479 8.644 -4.878 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.127 7.451 -2.415 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.391 7.768 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.403 9.498 -3.843 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.445 10.456 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.224 6.249 -2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.106 10.092 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.294 5.934 -0.677 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.621 7.798 0.940 1.00 0.00 H new ATOM 110 N LYS A 11 -4.334 10.757 -2.223 1.00 0.00 N ATOM 111 CA LYS A 11 -4.539 11.887 -1.334 1.00 0.00 C ATOM 112 C LYS A 11 -5.863 11.792 -0.568 1.00 0.00 C ATOM 113 O LYS A 11 -5.906 12.177 0.597 1.00 0.00 O ATOM 114 CB LYS A 11 -4.358 13.203 -2.101 1.00 0.00 C ATOM 115 CG LYS A 11 -2.865 13.394 -2.408 1.00 0.00 C ATOM 116 CD LYS A 11 -2.614 14.550 -3.382 1.00 0.00 C ATOM 117 CE LYS A 11 -1.113 14.605 -3.704 1.00 0.00 C ATOM 118 NZ LYS A 11 -0.763 15.720 -4.608 1.00 0.00 N ATOM 0 H LYS A 11 -4.239 11.017 -3.205 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.773 11.864 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.934 13.183 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.732 14.039 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.327 13.581 -1.479 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.462 12.473 -2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.191 14.407 -4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.941 15.492 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.550 14.705 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.809 13.663 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.261 15.710 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.277 15.613 -5.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.026 16.623 -4.164 1.00 0.00 H new ATOM 119 N THR A 12 -6.928 11.264 -1.180 1.00 0.00 N ATOM 120 CA THR A 12 -8.225 11.137 -0.525 1.00 0.00 C ATOM 121 C THR A 12 -8.449 9.751 0.093 1.00 0.00 C ATOM 122 O THR A 12 -9.565 9.465 0.527 1.00 0.00 O ATOM 123 CB THR A 12 -9.337 11.517 -1.511 1.00 0.00 C ATOM 124 OG1 THR A 12 -9.240 10.735 -2.684 1.00 0.00 O ATOM 125 CG2 THR A 12 -9.236 12.998 -1.888 1.00 0.00 C ATOM 0 H THR A 12 -6.911 10.916 -2.138 1.00 0.00 H new ATOM 0 HA THR A 12 -8.247 11.831 0.315 1.00 0.00 H new ATOM 0 HB THR A 12 -10.296 11.332 -1.027 1.00 0.00 H new ATOM 0 HG1 THR A 12 -8.504 11.068 -3.239 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.032 13.250 -2.588 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.334 13.609 -0.991 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.269 13.190 -2.354 1.00 0.00 H new ATOM 126 N ARG A 13 -7.420 8.898 0.181 1.00 0.00 N ATOM 127 CA ARG A 13 -7.530 7.619 0.872 1.00 0.00 C ATOM 128 C ARG A 13 -6.252 7.288 1.633 1.00 0.00 C ATOM 129 O ARG A 13 -6.240 7.265 2.861 1.00 0.00 O ATOM 130 CB ARG A 13 -7.865 6.479 -0.105 1.00 0.00 C ATOM 131 CG ARG A 13 -9.336 6.478 -0.540 1.00 0.00 C ATOM 132 CD ARG A 13 -9.743 5.057 -0.954 1.00 0.00 C ATOM 133 NE ARG A 13 -11.193 4.951 -1.202 1.00 0.00 N ATOM 134 CZ ARG A 13 -11.898 3.809 -1.120 1.00 0.00 C ATOM 135 NH1 ARG A 13 -11.252 2.654 -0.936 1.00 0.00 N ATOM 136 NH2 ARG A 13 -13.231 3.825 -1.219 1.00 0.00 N ATOM 0 H ARG A 13 -6.500 9.077 -0.222 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.347 7.714 1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.231 6.565 -0.987 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.630 5.524 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.969 6.826 0.276 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.481 7.167 -1.372 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.199 4.771 -1.854 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.456 4.355 -0.171 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.695 5.802 -1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.235 2.645 -0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.776 1.781 -0.872 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.722 4.708 -1.358 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -13.758 2.954 -1.156 1.00 0.00 H new ATOM 137 N CYS A 14 -5.190 6.952 0.905 1.00 0.00 N ATOM 138 CA CYS A 14 -4.027 6.300 1.480 1.00 0.00 C ATOM 139 C CYS A 14 -3.304 7.294 2.381 1.00 0.00 C ATOM 140 O CYS A 14 -2.956 6.964 3.512 1.00 0.00 O ATOM 141 CB CYS A 14 -3.115 5.780 0.400 1.00 0.00 C ATOM 142 SG CYS A 14 -3.942 4.873 -0.940 1.00 0.00 S ATOM 0 H CYS A 14 -5.116 7.126 -0.097 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.344 5.442 2.072 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.574 6.621 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.373 5.125 0.857 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.058 4.478 -1.807 1.00 0.00 H new ATOM 143 N LEU A 15 -3.129 8.526 1.888 1.00 0.00 N ATOM 144 CA LEU A 15 -2.483 9.635 2.582 1.00 0.00 C ATOM 145 C LEU A 15 -2.929 9.752 4.037 1.00 0.00 C ATOM 146 O LEU A 15 -2.109 10.075 4.898 1.00 0.00 O ATOM 147 CB LEU A 15 -2.808 10.926 1.823 1.00 0.00 C ATOM 148 CG LEU A 15 -2.189 12.212 2.385 1.00 0.00 C ATOM 149 CD1 LEU A 15 -0.800 12.435 1.794 1.00 0.00 C ATOM 150 CD2 LEU A 15 -3.082 13.423 2.091 1.00 0.00 C ATOM 0 H LEU A 15 -3.449 8.783 0.954 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.408 9.455 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.479 10.809 0.790 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.891 11.048 1.800 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.102 12.100 3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.374 13.351 2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.157 11.592 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.875 12.522 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.621 14.322 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.201 13.534 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.059 13.275 2.551 1.00 0.00 H new ATOM 151 N GLN A 16 -4.214 9.503 4.311 1.00 0.00 N ATOM 152 CA GLN A 16 -4.770 9.499 5.657 1.00 0.00 C ATOM 153 C GLN A 16 -3.829 8.773 6.621 1.00 0.00 C ATOM 154 O GLN A 16 -3.502 9.288 7.690 1.00 0.00 O ATOM 155 CB GLN A 16 -6.150 8.826 5.612 1.00 0.00 C ATOM 156 CG GLN A 16 -6.905 8.922 6.941 1.00 0.00 C ATOM 157 CD GLN A 16 -8.308 8.340 6.806 1.00 0.00 C ATOM 158 OE1 GLN A 16 -9.274 9.068 6.612 1.00 0.00 O ATOM 159 NE2 GLN A 16 -8.431 7.021 6.908 1.00 0.00 N ATOM 0 H GLN A 16 -4.903 9.296 3.588 1.00 0.00 H new ATOM 0 HA GLN A 16 -4.880 10.521 6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.748 9.288 4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.028 7.776 5.345 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.357 8.387 7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.967 9.964 7.256 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.606 6.443 7.070 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.350 6.587 6.825 1.00 0.00 H new ATOM 160 N CYS A 17 -3.385 7.582 6.219 1.00 0.00 N ATOM 161 CA CYS A 17 -2.667 6.646 7.068 1.00 0.00 C ATOM 162 C CYS A 17 -1.194 6.524 6.674 1.00 0.00 C ATOM 163 O CYS A 17 -0.352 6.285 7.537 1.00 0.00 O ATOM 164 CB CYS A 17 -3.346 5.310 6.981 1.00 0.00 C ATOM 165 SG CYS A 17 -4.987 5.378 7.768 1.00 0.00 S ATOM 0 H CYS A 17 -3.521 7.238 5.269 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.686 7.017 8.093 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.449 5.015 5.937 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.733 4.551 7.468 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.559 4.214 7.680 1.00 0.00 H new ATOM 166 N HIS A 18 -0.896 6.671 5.383 1.00 0.00 N ATOM 167 CA HIS A 18 0.397 6.427 4.754 1.00 0.00 C ATOM 168 C HIS A 18 1.083 7.707 4.282 1.00 0.00 C ATOM 169 O HIS A 18 0.569 8.818 4.443 1.00 0.00 O ATOM 170 CB HIS A 18 0.169 5.497 3.558 1.00 0.00 C ATOM 171 CG HIS A 18 -0.113 4.090 3.984 1.00 0.00 C ATOM 172 ND1 HIS A 18 0.852 3.155 4.246 1.00 0.00 N ATOM 173 CD2 HIS A 18 -1.323 3.456 3.976 1.00 0.00 C ATOM 174 CE1 HIS A 18 0.247 1.969 4.361 1.00 0.00 C ATOM 175 NE2 HIS A 18 -1.077 2.100 4.212 1.00 0.00 N ATOM 0 H HIS A 18 -1.596 6.983 4.709 1.00 0.00 H new ATOM 0 HA HIS A 18 1.057 5.978 5.496 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.665 5.869 2.964 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.049 5.511 2.915 1.00 0.00 H new ATOM 0 HD1 HIS A 18 1.852 3.332 4.337 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.287 3.915 3.817 1.00 0.00 H new ATOM 0 HE1 HIS A 18 0.755 1.035 4.548 1.00 0.00 H new ATOM 176 N THR A 19 2.263 7.513 3.686 1.00 0.00 N ATOM 177 CA THR A 19 3.076 8.516 3.025 1.00 0.00 C ATOM 178 C THR A 19 3.618 7.963 1.699 1.00 0.00 C ATOM 179 O THR A 19 3.859 6.759 1.563 1.00 0.00 O ATOM 180 CB THR A 19 4.216 8.955 3.956 1.00 0.00 C ATOM 181 OG1 THR A 19 4.874 7.815 4.471 1.00 0.00 O ATOM 182 CG2 THR A 19 3.669 9.766 5.135 1.00 0.00 C ATOM 0 H THR A 19 2.696 6.590 3.655 1.00 0.00 H new ATOM 0 HA THR A 19 2.466 9.390 2.799 1.00 0.00 H new ATOM 0 HB THR A 19 4.908 9.570 3.380 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.934 7.885 5.447 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.492 10.067 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.158 10.653 4.761 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.966 9.155 5.702 1.00 0.00 H new ATOM 183 N VAL A 20 3.751 8.868 0.720 1.00 0.00 N ATOM 184 CA VAL A 20 4.096 8.591 -0.671 1.00 0.00 C ATOM 185 C VAL A 20 5.529 9.021 -0.997 1.00 0.00 C ATOM 186 O VAL A 20 6.243 8.321 -1.711 1.00 0.00 O ATOM 187 CB VAL A 20 3.063 9.269 -1.591 1.00 0.00 C ATOM 188 CG1 VAL A 20 2.997 10.799 -1.488 1.00 0.00 C ATOM 189 CG2 VAL A 20 3.289 8.887 -3.052 1.00 0.00 C ATOM 0 H VAL A 20 3.612 9.864 0.892 1.00 0.00 H new ATOM 0 HA VAL A 20 4.062 7.515 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 20 2.106 8.891 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.240 11.178 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.737 11.084 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.967 11.223 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.545 9.381 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.287 9.200 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.197 7.807 -3.164 1.00 0.00 H new ATOM 190 N GLU A 21 5.959 10.180 -0.495 1.00 0.00 N ATOM 191 CA GLU A 21 7.331 10.630 -0.660 1.00 0.00 C ATOM 192 C GLU A 21 8.186 10.005 0.439 1.00 0.00 C ATOM 193 O GLU A 21 7.706 9.781 1.552 1.00 0.00 O ATOM 194 CB GLU A 21 7.404 12.160 -0.634 1.00 0.00 C ATOM 195 CG GLU A 21 6.475 12.764 -1.696 1.00 0.00 C ATOM 196 CD GLU A 21 6.778 14.232 -1.958 1.00 0.00 C ATOM 197 OE1 GLU A 21 7.942 14.511 -2.317 1.00 0.00 O ATOM 198 OE2 GLU A 21 5.838 15.039 -1.800 1.00 0.00 O ATOM 0 H GLU A 21 5.368 10.823 0.031 1.00 0.00 H new ATOM 0 HA GLU A 21 7.714 10.311 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.123 12.526 0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.429 12.484 -0.814 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.575 12.203 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.440 12.661 -1.371 1.00 0.00 H new ATOM 216 N PRO A 25 7.054 9.889 7.507 1.00 0.00 N ATOM 217 CA PRO A 25 7.270 8.798 8.447 1.00 0.00 C ATOM 218 C PRO A 25 6.172 7.733 8.385 1.00 0.00 C ATOM 219 O PRO A 25 5.135 7.924 7.750 1.00 0.00 O ATOM 220 CB PRO A 25 7.339 9.468 9.826 1.00 0.00 C ATOM 221 CG PRO A 25 6.480 10.719 9.649 1.00 0.00 C ATOM 222 CD PRO A 25 6.788 11.131 8.211 1.00 0.00 C ATOM 0 HA PRO A 25 8.183 8.252 8.210 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.948 8.819 10.609 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.363 9.718 10.101 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.420 10.507 9.792 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.748 11.499 10.361 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.948 11.664 7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.648 11.799 8.169 1.00 0.00 H new ATOM 223 N HIS A 26 6.406 6.617 9.084 1.00 0.00 N ATOM 224 CA HIS A 26 5.415 5.571 9.298 1.00 0.00 C ATOM 225 C HIS A 26 4.402 6.128 10.299 1.00 0.00 C ATOM 226 O HIS A 26 4.723 6.266 11.478 1.00 0.00 O ATOM 227 CB HIS A 26 6.073 4.268 9.808 1.00 0.00 C ATOM 228 CG HIS A 26 7.413 3.961 9.183 1.00 0.00 C ATOM 229 ND1 HIS A 26 8.617 4.486 9.572 1.00 0.00 N flip ATOM 230 CD2 HIS A 26 7.642 3.175 8.077 1.00 0.00 C flip ATOM 231 CE1 HIS A 26 9.587 4.053 8.664 1.00 0.00 C flip ATOM 232 NE2 HIS A 26 8.950 3.268 7.783 1.00 0.00 N flip ATOM 0 H HIS A 26 7.305 6.417 9.522 1.00 0.00 H new ATOM 0 HA HIS A 26 4.921 5.304 8.364 1.00 0.00 H new ATOM 0 HB2 HIS A 26 6.197 4.337 10.889 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.397 3.435 9.617 1.00 0.00 H new ATOM 0 HD2 HIS A 26 6.906 2.591 7.544 1.00 0.00 H new ATOM 0 HE1 HIS A 26 10.638 4.301 8.671 1.00 0.00 H new ATOM 0 HE2 HIS A 26 9.399 2.803 6.994 1.00 0.00 H new ATOM 233 N LYS A 27 3.221 6.526 9.825 1.00 0.00 N ATOM 234 CA LYS A 27 2.195 7.123 10.656 1.00 0.00 C ATOM 235 C LYS A 27 1.326 5.988 11.208 1.00 0.00 C ATOM 236 O LYS A 27 1.795 5.177 12.001 1.00 0.00 O ATOM 237 CB LYS A 27 1.403 8.112 9.804 1.00 0.00 C ATOM 238 CG LYS A 27 2.222 9.302 9.299 1.00 0.00 C ATOM 239 CD LYS A 27 1.301 10.299 8.581 1.00 0.00 C ATOM 240 CE LYS A 27 0.449 9.597 7.506 1.00 0.00 C ATOM 241 NZ LYS A 27 -0.151 10.527 6.532 1.00 0.00 N ATOM 0 H LYS A 27 2.955 6.439 8.844 1.00 0.00 H new ATOM 0 HA LYS A 27 2.608 7.675 11.500 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.985 7.583 8.947 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.562 8.486 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.723 9.792 10.134 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.001 8.957 8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.648 10.783 9.307 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.900 11.083 8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.071 8.877 6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.345 9.033 7.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.148 10.273 6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.094 11.498 6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.365 10.466 5.631 1.00 0.00 H new ATOM 242 N VAL A 28 0.072 5.887 10.753 1.00 0.00 N ATOM 243 CA VAL A 28 -0.745 4.720 11.022 1.00 0.00 C ATOM 244 C VAL A 28 -0.217 3.570 10.170 1.00 0.00 C ATOM 245 O VAL A 28 -0.062 2.466 10.685 1.00 0.00 O ATOM 246 CB VAL A 28 -2.227 5.030 10.755 1.00 0.00 C ATOM 247 CG1 VAL A 28 -3.093 3.772 10.846 1.00 0.00 C ATOM 248 CG2 VAL A 28 -2.744 6.029 11.791 1.00 0.00 C ATOM 0 H VAL A 28 -0.391 6.606 10.197 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.683 4.431 12.071 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.293 5.440 9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.134 4.032 10.651 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.756 3.044 10.108 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.007 3.342 11.844 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.795 6.244 11.596 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.640 5.604 12.789 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.167 6.951 11.727 1.00 0.00 H new ATOM 249 N GLY A 29 0.064 3.829 8.889 1.00 0.00 N ATOM 250 CA GLY A 29 0.664 2.879 7.964 1.00 0.00 C ATOM 251 C GLY A 29 2.115 3.271 7.657 1.00 0.00 C ATOM 252 O GLY A 29 2.497 4.426 7.867 1.00 0.00 O ATOM 0 H GLY A 29 -0.128 4.734 8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.635 1.877 8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.086 2.848 7.040 1.00 0.00 H new ATOM 253 N PRO A 30 2.937 2.326 7.169 1.00 0.00 N ATOM 254 CA PRO A 30 4.328 2.568 6.816 1.00 0.00 C ATOM 255 C PRO A 30 4.451 3.384 5.525 1.00 0.00 C ATOM 256 O PRO A 30 3.497 3.513 4.765 1.00 0.00 O ATOM 257 CB PRO A 30 4.956 1.179 6.665 1.00 0.00 C ATOM 258 CG PRO A 30 3.776 0.317 6.218 1.00 0.00 C ATOM 259 CD PRO A 30 2.605 0.923 6.989 1.00 0.00 C ATOM 0 HA PRO A 30 4.836 3.158 7.579 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.760 1.177 5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.383 0.824 7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.622 0.370 5.140 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.925 -0.734 6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.672 0.809 6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.470 0.426 7.950 1.00 0.00 H new ATOM 260 N ASN A 31 5.640 3.922 5.251 1.00 0.00 N ATOM 261 CA ASN A 31 5.905 4.640 4.010 1.00 0.00 C ATOM 262 C ASN A 31 5.855 3.670 2.822 1.00 0.00 C ATOM 263 O ASN A 31 6.429 2.586 2.912 1.00 0.00 O ATOM 264 CB ASN A 31 7.273 5.321 4.125 1.00 0.00 C ATOM 265 CG ASN A 31 7.548 6.218 2.925 1.00 0.00 C ATOM 266 OD1 ASN A 31 7.662 5.740 1.805 1.00 0.00 O ATOM 267 ND2 ASN A 31 7.663 7.520 3.142 1.00 0.00 N ATOM 0 H ASN A 31 6.441 3.871 5.881 1.00 0.00 H new ATOM 0 HA ASN A 31 5.145 5.402 3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.311 5.912 5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.053 4.564 4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.851 8.152 2.364 1.00 0.00 H new ATOM 0 HD22 ASN A 31 7.563 7.890 4.087 1.00 0.00 H new ATOM 268 N LEU A 32 5.169 4.030 1.727 1.00 0.00 N ATOM 269 CA LEU A 32 4.949 3.134 0.590 1.00 0.00 C ATOM 270 C LEU A 32 5.871 3.435 -0.601 1.00 0.00 C ATOM 271 O LEU A 32 5.615 2.984 -1.716 1.00 0.00 O ATOM 272 CB LEU A 32 3.473 3.205 0.177 1.00 0.00 C ATOM 273 CG LEU A 32 2.500 2.741 1.273 1.00 0.00 C ATOM 274 CD1 LEU A 32 1.068 2.829 0.735 1.00 0.00 C ATOM 275 CD2 LEU A 32 2.781 1.301 1.723 1.00 0.00 C ATOM 0 H LEU A 32 4.752 4.953 1.608 1.00 0.00 H new ATOM 0 HA LEU A 32 5.200 2.122 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.232 4.231 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.324 2.592 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 32 2.633 3.391 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.369 2.502 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.846 3.860 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.968 2.188 -0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.069 1.017 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.679 0.627 0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.794 1.235 2.119 1.00 0.00 H new ATOM 276 N HIS A 33 6.948 4.186 -0.386 1.00 0.00 N ATOM 277 CA HIS A 33 7.916 4.536 -1.412 1.00 0.00 C ATOM 278 C HIS A 33 9.014 3.476 -1.420 1.00 0.00 C ATOM 279 O HIS A 33 9.719 3.313 -0.427 1.00 0.00 O ATOM 280 CB HIS A 33 8.481 5.912 -1.068 1.00 0.00 C ATOM 281 CG HIS A 33 9.178 6.616 -2.197 1.00 0.00 C ATOM 282 ND1 HIS A 33 8.883 7.896 -2.596 1.00 0.00 N ATOM 283 CD2 HIS A 33 10.412 6.298 -2.699 1.00 0.00 C ATOM 284 CE1 HIS A 33 9.942 8.360 -3.282 1.00 0.00 C ATOM 285 NE2 HIS A 33 10.907 7.430 -3.351 1.00 0.00 N ATOM 0 H HIS A 33 7.174 4.575 0.529 1.00 0.00 H new ATOM 0 HA HIS A 33 7.463 4.572 -2.403 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.666 6.544 -0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.182 5.803 -0.241 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.018 8.403 -2.407 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.912 5.345 -2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 33 10.007 9.346 -3.718 1.00 0.00 H new ATOM 286 N GLY A 34 9.163 2.741 -2.523 1.00 0.00 N ATOM 287 CA GLY A 34 10.051 1.590 -2.564 1.00 0.00 C ATOM 288 C GLY A 34 9.332 0.385 -1.964 1.00 0.00 C ATOM 289 O GLY A 34 9.916 -0.396 -1.214 1.00 0.00 O ATOM 0 H GLY A 34 8.676 2.927 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.346 1.379 -3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.964 1.799 -2.007 1.00 0.00 H new ATOM 290 N ILE A 35 8.051 0.244 -2.310 1.00 0.00 N ATOM 291 CA ILE A 35 7.243 -0.931 -2.066 1.00 0.00 C ATOM 292 C ILE A 35 7.278 -1.806 -3.324 1.00 0.00 C ATOM 293 O ILE A 35 7.553 -3.001 -3.236 1.00 0.00 O ATOM 294 CB ILE A 35 5.845 -0.458 -1.633 1.00 0.00 C ATOM 295 CG1 ILE A 35 4.994 -1.562 -0.999 1.00 0.00 C ATOM 296 CG2 ILE A 35 4.991 0.144 -2.743 1.00 0.00 C ATOM 297 CD1 ILE A 35 5.353 -1.788 0.461 1.00 0.00 C ATOM 0 H ILE A 35 7.535 0.983 -2.788 1.00 0.00 H new ATOM 0 HA ILE A 35 7.617 -1.558 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 35 6.097 0.315 -0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.940 -1.297 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.131 -2.490 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.026 0.446 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.497 1.014 -3.160 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.838 -0.597 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.726 -2.579 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.401 -2.079 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.190 -0.868 1.022 1.00 0.00 H new ATOM 298 N PHE A 36 7.069 -1.205 -4.505 1.00 0.00 N ATOM 299 CA PHE A 36 7.031 -1.927 -5.773 1.00 0.00 C ATOM 300 C PHE A 36 8.415 -2.487 -6.105 1.00 0.00 C ATOM 301 O PHE A 36 9.185 -1.844 -6.812 1.00 0.00 O ATOM 302 CB PHE A 36 6.507 -1.036 -6.911 1.00 0.00 C ATOM 303 CG PHE A 36 4.998 -0.851 -6.926 1.00 0.00 C ATOM 304 CD1 PHE A 36 4.387 0.041 -6.031 1.00 0.00 C ATOM 305 CD2 PHE A 36 4.194 -1.612 -7.798 1.00 0.00 C ATOM 306 CE1 PHE A 36 2.990 0.091 -5.926 1.00 0.00 C ATOM 307 CE2 PHE A 36 2.794 -1.470 -7.772 1.00 0.00 C ATOM 308 CZ PHE A 36 2.191 -0.637 -6.815 1.00 0.00 C ATOM 0 H PHE A 36 6.922 -0.200 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 36 6.336 -2.761 -5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.979 -0.057 -6.835 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.817 -1.466 -7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.996 0.692 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.653 -2.305 -8.487 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.529 0.693 -5.157 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.184 -2.001 -8.487 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.115 -0.559 -6.765 1.00 0.00 H new ATOM 309 N GLY A 37 8.719 -3.686 -5.603 1.00 0.00 N ATOM 310 CA GLY A 37 9.977 -4.382 -5.841 1.00 0.00 C ATOM 311 C GLY A 37 10.731 -4.702 -4.550 1.00 0.00 C ATOM 312 O GLY A 37 11.810 -5.289 -4.610 1.00 0.00 O ATOM 0 H GLY A 37 8.079 -4.209 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.778 -5.309 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.610 -3.770 -6.484 1.00 0.00 H new ATOM 313 N ARG A 38 10.191 -4.334 -3.383 1.00 0.00 N ATOM 314 CA ARG A 38 10.698 -4.774 -2.098 1.00 0.00 C ATOM 315 C ARG A 38 9.657 -5.706 -1.497 1.00 0.00 C ATOM 316 O ARG A 38 8.464 -5.453 -1.634 1.00 0.00 O ATOM 317 CB ARG A 38 10.887 -3.568 -1.183 1.00 0.00 C ATOM 318 CG ARG A 38 11.974 -2.587 -1.641 1.00 0.00 C ATOM 319 CD ARG A 38 13.345 -3.252 -1.807 1.00 0.00 C ATOM 320 NE ARG A 38 14.416 -2.243 -1.781 1.00 0.00 N ATOM 321 CZ ARG A 38 15.715 -2.492 -2.004 1.00 0.00 C ATOM 322 NH1 ARG A 38 16.104 -3.714 -2.385 1.00 0.00 N ATOM 323 NH2 ARG A 38 16.620 -1.520 -1.840 1.00 0.00 N ATOM 0 H ARG A 38 9.382 -3.716 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 38 11.656 -5.281 -2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.940 -3.033 -1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.133 -3.922 -0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.676 -2.139 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 38 12.054 -1.777 -0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.502 -3.978 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.378 -3.801 -2.748 1.00 0.00 H new ATOM 0 HE ARG A 38 14.150 -1.280 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG A 38 15.413 -4.455 -2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.091 -3.905 -2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 38 16.322 -0.590 -1.545 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.608 -1.709 -2.009 1.00 0.00 H new ATOM 324 N GLN A 39 10.087 -6.771 -0.817 1.00 0.00 N ATOM 325 CA GLN A 39 9.138 -7.624 -0.152 1.00 0.00 C ATOM 326 C GLN A 39 8.463 -6.843 0.978 1.00 0.00 C ATOM 327 O GLN A 39 8.990 -5.847 1.477 1.00 0.00 O ATOM 328 CB GLN A 39 9.825 -8.877 0.385 1.00 0.00 C ATOM 329 CG GLN A 39 10.189 -9.880 -0.717 1.00 0.00 C ATOM 330 CD GLN A 39 10.778 -11.164 -0.142 1.00 0.00 C ATOM 331 OE1 GLN A 39 10.058 -12.122 0.136 1.00 0.00 O ATOM 332 NE2 GLN A 39 12.095 -11.205 0.037 1.00 0.00 N ATOM 0 H GLN A 39 11.064 -7.047 -0.721 1.00 0.00 H new ATOM 0 HA GLN A 39 8.379 -7.945 -0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.730 -8.588 0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.170 -9.362 1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.300 -10.118 -1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.906 -9.425 -1.400 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.668 -10.396 -0.202 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.533 -12.046 0.414 1.00 0.00 H new ATOM 333 N SER A 40 7.296 -7.329 1.376 1.00 0.00 N ATOM 334 CA SER A 40 6.536 -6.842 2.506 1.00 0.00 C ATOM 335 C SER A 40 7.364 -6.972 3.781 1.00 0.00 C ATOM 336 O SER A 40 8.294 -7.777 3.848 1.00 0.00 O ATOM 337 CB SER A 40 5.227 -7.642 2.577 1.00 0.00 C ATOM 338 OG SER A 40 5.527 -9.012 2.724 1.00 0.00 O ATOM 0 H SER A 40 6.839 -8.105 0.897 1.00 0.00 H new ATOM 0 HA SER A 40 6.294 -5.785 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.622 -7.298 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.639 -7.481 1.673 1.00 0.00 H new ATOM 0 HG SER A 40 5.139 -9.344 3.560 1.00 0.00 H new ATOM 339 N GLY A 41 7.039 -6.171 4.797 1.00 0.00 N ATOM 340 CA GLY A 41 7.688 -6.339 6.088 1.00 0.00 C ATOM 341 C GLY A 41 9.164 -5.919 6.056 1.00 0.00 C ATOM 342 O GLY A 41 10.025 -6.669 6.511 1.00 0.00 O ATOM 0 H GLY A 41 6.349 -5.421 4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.161 -5.748 6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.616 -7.382 6.396 1.00 0.00 H new ATOM 370 N TYR A 46 8.793 0.446 13.338 1.00 0.00 N ATOM 371 CA TYR A 46 7.375 0.737 13.221 1.00 0.00 C ATOM 372 C TYR A 46 6.575 -0.481 13.708 1.00 0.00 C ATOM 373 O TYR A 46 7.100 -1.591 13.778 1.00 0.00 O ATOM 374 CB TYR A 46 7.083 1.130 11.763 1.00 0.00 C ATOM 375 CG TYR A 46 5.642 1.001 11.341 1.00 0.00 C ATOM 376 CD1 TYR A 46 4.685 1.952 11.741 1.00 0.00 C ATOM 377 CD2 TYR A 46 5.249 -0.124 10.599 1.00 0.00 C ATOM 378 CE1 TYR A 46 3.329 1.760 11.429 1.00 0.00 C ATOM 379 CE2 TYR A 46 3.908 -0.275 10.237 1.00 0.00 C ATOM 380 CZ TYR A 46 2.940 0.618 10.711 1.00 0.00 C ATOM 381 OH TYR A 46 1.641 0.419 10.369 1.00 0.00 O ATOM 0 HA TYR A 46 7.072 1.576 13.847 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.398 2.162 11.611 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.694 0.510 11.107 1.00 0.00 H new ATOM 0 HD1 TYR A 46 4.993 2.830 12.288 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.978 -0.867 10.310 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.591 2.485 11.739 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.616 -1.087 9.587 1.00 0.00 H new ATOM 0 HH TYR A 46 1.097 1.161 10.706 1.00 0.00 H new ATOM 382 N SER A 47 5.312 -0.270 14.090 1.00 0.00 N ATOM 383 CA SER A 47 4.423 -1.257 14.683 1.00 0.00 C ATOM 384 C SER A 47 3.927 -2.268 13.638 1.00 0.00 C ATOM 385 O SER A 47 2.748 -2.297 13.293 1.00 0.00 O ATOM 386 CB SER A 47 3.283 -0.485 15.365 1.00 0.00 C ATOM 387 OG SER A 47 3.033 0.727 14.666 1.00 0.00 O ATOM 0 H SER A 47 4.866 0.641 13.986 1.00 0.00 H new ATOM 0 HA SER A 47 4.946 -1.860 15.425 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.380 -1.096 15.386 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.546 -0.270 16.401 1.00 0.00 H new ATOM 0 HG SER A 47 2.914 0.536 13.712 1.00 0.00 H new ATOM 388 N TYR A 48 4.848 -3.101 13.155 1.00 0.00 N ATOM 389 CA TYR A 48 4.608 -4.139 12.164 1.00 0.00 C ATOM 390 C TYR A 48 3.981 -5.398 12.771 1.00 0.00 C ATOM 391 O TYR A 48 3.655 -5.419 13.959 1.00 0.00 O ATOM 392 CB TYR A 48 5.962 -4.487 11.529 1.00 0.00 C ATOM 393 CG TYR A 48 6.268 -3.976 10.140 1.00 0.00 C ATOM 394 CD1 TYR A 48 5.288 -3.570 9.204 1.00 0.00 C ATOM 395 CD2 TYR A 48 7.595 -4.117 9.726 1.00 0.00 C ATOM 396 CE1 TYR A 48 5.672 -3.177 7.910 1.00 0.00 C ATOM 397 CE2 TYR A 48 7.949 -3.833 8.409 1.00 0.00 C ATOM 398 CZ TYR A 48 7.013 -3.288 7.516 1.00 0.00 C ATOM 399 OH TYR A 48 7.391 -3.010 6.232 1.00 0.00 O ATOM 0 H TYR A 48 5.821 -3.066 13.459 1.00 0.00 H new ATOM 0 HA TYR A 48 3.899 -3.766 11.425 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.743 -4.120 12.195 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.047 -5.573 11.507 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.245 -3.562 9.484 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.347 -4.446 10.428 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.936 -2.790 7.221 1.00 0.00 H new ATOM 0 HE2 TYR A 48 8.955 -4.034 8.071 1.00 0.00 H new ATOM 0 HH TYR A 48 8.358 -3.140 6.140 1.00 0.00 H new ATOM 400 N THR A 49 3.842 -6.462 11.963 1.00 0.00 N ATOM 401 CA THR A 49 3.298 -7.738 12.404 1.00 0.00 C ATOM 402 C THR A 49 4.136 -8.930 11.924 1.00 0.00 C ATOM 403 O THR A 49 4.646 -8.952 10.800 1.00 0.00 O ATOM 404 CB THR A 49 1.830 -7.891 11.969 1.00 0.00 C ATOM 405 OG1 THR A 49 1.699 -8.298 10.624 1.00 0.00 O ATOM 406 CG2 THR A 49 1.018 -6.611 12.137 1.00 0.00 C ATOM 0 H THR A 49 4.109 -6.451 10.979 1.00 0.00 H new ATOM 0 HA THR A 49 3.339 -7.738 13.493 1.00 0.00 H new ATOM 0 HB THR A 49 1.440 -8.662 12.633 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.750 -8.407 10.406 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.008 -6.786 11.813 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.021 -6.313 13.185 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.459 -5.818 11.533 1.00 0.00 H new ATOM 407 N ASP A 50 4.212 -9.954 12.782 1.00 0.00 N ATOM 408 CA ASP A 50 4.642 -11.301 12.435 1.00 0.00 C ATOM 409 C ASP A 50 3.956 -11.763 11.152 1.00 0.00 C ATOM 410 O ASP A 50 4.586 -12.220 10.202 1.00 0.00 O ATOM 411 CB ASP A 50 4.235 -12.236 13.579 1.00 0.00 C ATOM 412 CG ASP A 50 4.375 -13.695 13.183 1.00 0.00 C ATOM 413 OD1 ASP A 50 5.309 -14.025 12.424 1.00 0.00 O ATOM 414 OD2 ASP A 50 3.463 -14.491 13.498 1.00 0.00 O ATOM 0 H ASP A 50 3.967 -9.858 13.767 1.00 0.00 H new ATOM 0 HA ASP A 50 5.721 -11.314 12.281 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.854 -12.034 14.453 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.203 -12.033 13.866 1.00 0.00 H new ATOM 415 N ALA A 51 2.629 -11.664 11.157 1.00 0.00 N ATOM 416 CA ALA A 51 1.796 -12.067 10.038 1.00 0.00 C ATOM 417 C ALA A 51 2.295 -11.463 8.723 1.00 0.00 C ATOM 418 O ALA A 51 2.506 -12.204 7.765 1.00 0.00 O ATOM 419 CB ALA A 51 0.343 -11.696 10.315 1.00 0.00 C ATOM 0 H ALA A 51 2.101 -11.297 11.949 1.00 0.00 H new ATOM 0 HA ALA A 51 1.859 -13.150 9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.277 -12.001 9.472 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.004 -12.204 11.218 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.263 -10.618 10.453 1.00 0.00 H new ATOM 420 N ASN A 52 2.510 -10.142 8.668 1.00 0.00 N ATOM 421 CA ASN A 52 3.068 -9.507 7.478 1.00 0.00 C ATOM 422 C ASN A 52 4.400 -10.162 7.107 1.00 0.00 C ATOM 423 O ASN A 52 4.557 -10.602 5.973 1.00 0.00 O ATOM 424 CB ASN A 52 3.167 -7.988 7.675 1.00 0.00 C ATOM 425 CG ASN A 52 3.731 -7.250 6.454 1.00 0.00 C ATOM 426 OD1 ASN A 52 4.735 -7.656 5.883 1.00 0.00 O ATOM 427 ND2 ASN A 52 3.105 -6.153 6.038 1.00 0.00 N ATOM 0 H ASN A 52 2.305 -9.499 9.433 1.00 0.00 H new ATOM 0 HA ASN A 52 2.400 -9.660 6.631 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.177 -7.594 7.903 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.799 -7.782 8.539 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.460 -5.637 5.233 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.270 -5.827 6.524 1.00 0.00 H new ATOM 428 N ILE A 53 5.329 -10.307 8.057 1.00 0.00 N ATOM 429 CA ILE A 53 6.619 -10.951 7.799 1.00 0.00 C ATOM 430 C ILE A 53 6.440 -12.353 7.185 1.00 0.00 C ATOM 431 O ILE A 53 6.984 -12.645 6.123 1.00 0.00 O ATOM 432 CB ILE A 53 7.481 -10.954 9.077 1.00 0.00 C ATOM 433 CG1 ILE A 53 7.851 -9.507 9.456 1.00 0.00 C ATOM 434 CG2 ILE A 53 8.752 -11.791 8.871 1.00 0.00 C ATOM 435 CD1 ILE A 53 8.445 -9.396 10.863 1.00 0.00 C ATOM 0 H ILE A 53 5.209 -9.985 9.017 1.00 0.00 H new ATOM 0 HA ILE A 53 7.158 -10.369 7.051 1.00 0.00 H new ATOM 0 HB ILE A 53 6.906 -11.402 9.888 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.568 -9.119 8.732 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.961 -8.880 9.392 1.00 0.00 H new ATOM 0 HG21 ILE A 53 9.347 -11.780 9.784 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.476 -12.818 8.629 1.00 0.00 H new ATOM 0 HG23 ILE A 53 9.336 -11.370 8.053 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.686 -8.354 11.075 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.721 -9.756 11.593 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.352 -9.998 10.924 1.00 0.00 H new ATOM 436 N LYS A 54 5.668 -13.239 7.821 1.00 0.00 N ATOM 437 CA LYS A 54 5.388 -14.568 7.273 1.00 0.00 C ATOM 438 C LYS A 54 4.531 -14.516 5.999 1.00 0.00 C ATOM 439 O LYS A 54 4.385 -15.513 5.284 1.00 0.00 O ATOM 440 CB LYS A 54 4.758 -15.468 8.337 1.00 0.00 C ATOM 441 CG LYS A 54 5.836 -16.094 9.248 1.00 0.00 C ATOM 442 CD LYS A 54 5.351 -17.363 9.976 1.00 0.00 C ATOM 443 CE LYS A 54 4.805 -17.113 11.388 1.00 0.00 C ATOM 444 NZ LYS A 54 3.919 -15.943 11.440 1.00 0.00 N ATOM 0 H LYS A 54 5.224 -13.058 8.721 1.00 0.00 H new ATOM 0 HA LYS A 54 6.344 -15.001 6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.060 -14.888 8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.182 -16.258 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.712 -16.339 8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.152 -15.357 9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.573 -17.836 9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.178 -18.070 10.039 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.261 -17.994 11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.637 -16.968 12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.481 -15.881 12.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.471 -15.081 11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.176 -16.038 10.718 1.00 0.00 H new ATOM 445 N LYS A 55 3.970 -13.354 5.684 1.00 0.00 N ATOM 446 CA LYS A 55 3.444 -13.039 4.372 1.00 0.00 C ATOM 447 C LYS A 55 4.380 -12.121 3.598 1.00 0.00 C ATOM 448 O LYS A 55 3.938 -11.198 2.916 1.00 0.00 O ATOM 449 CB LYS A 55 2.005 -12.561 4.477 1.00 0.00 C ATOM 450 CG LYS A 55 1.149 -12.977 3.271 1.00 0.00 C ATOM 451 CD LYS A 55 0.899 -14.498 3.140 1.00 0.00 C ATOM 452 CE LYS A 55 1.974 -15.306 2.371 1.00 0.00 C ATOM 453 NZ LYS A 55 2.754 -16.247 3.220 1.00 0.00 N ATOM 0 H LYS A 55 3.869 -12.591 6.353 1.00 0.00 H new ATOM 0 HA LYS A 55 3.404 -13.945 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.560 -12.961 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.994 -11.475 4.567 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.186 -12.470 3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.634 -12.624 2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.807 -14.917 4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.060 -14.646 2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.488 -15.870 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.663 -14.610 1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.576 -16.595 2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.080 -15.754 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.152 -17.050 3.491 1.00 0.00 H new ATOM 454 N ASN A 56 5.669 -12.455 3.662 1.00 0.00 N ATOM 455 CA ASN A 56 6.694 -12.016 2.726 1.00 0.00 C ATOM 456 C ASN A 56 6.144 -12.060 1.293 1.00 0.00 C ATOM 457 O ASN A 56 5.877 -13.123 0.734 1.00 0.00 O ATOM 458 CB ASN A 56 7.994 -12.820 2.890 1.00 0.00 C ATOM 459 CG ASN A 56 7.953 -14.210 2.258 1.00 0.00 C ATOM 460 OD1 ASN A 56 7.273 -15.106 2.751 1.00 0.00 O ATOM 461 ND2 ASN A 56 8.697 -14.405 1.171 1.00 0.00 N ATOM 0 H ASN A 56 6.037 -13.061 4.395 1.00 0.00 H new ATOM 0 HA ASN A 56 6.957 -10.982 2.949 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.815 -12.256 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.213 -12.922 3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.714 -15.321 0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.250 -13.639 0.787 1.00 0.00 H new ATOM 462 N VAL A 57 5.889 -10.881 0.738 1.00 0.00 N ATOM 463 CA VAL A 57 5.180 -10.657 -0.505 1.00 0.00 C ATOM 464 C VAL A 57 5.963 -9.600 -1.275 1.00 0.00 C ATOM 465 O VAL A 57 6.151 -8.502 -0.770 1.00 0.00 O ATOM 466 CB VAL A 57 3.745 -10.214 -0.153 1.00 0.00 C ATOM 467 CG1 VAL A 57 3.158 -9.180 -1.112 1.00 0.00 C ATOM 468 CG2 VAL A 57 2.842 -11.447 -0.063 1.00 0.00 C ATOM 0 H VAL A 57 6.191 -10.009 1.173 1.00 0.00 H new ATOM 0 HA VAL A 57 5.102 -11.546 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 57 3.798 -9.711 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.148 -8.922 -0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.780 -8.285 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.127 -9.595 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.827 -11.137 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.838 -11.966 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.217 -12.117 0.711 1.00 0.00 H new ATOM 469 N LEU A 58 6.416 -9.937 -2.487 1.00 0.00 N ATOM 470 CA LEU A 58 7.261 -9.117 -3.359 1.00 0.00 C ATOM 471 C LEU A 58 6.674 -7.724 -3.644 1.00 0.00 C ATOM 472 O LEU A 58 7.409 -6.814 -4.011 1.00 0.00 O ATOM 473 CB LEU A 58 7.484 -9.935 -4.642 1.00 0.00 C ATOM 474 CG LEU A 58 8.475 -9.458 -5.716 1.00 0.00 C ATOM 475 CD1 LEU A 58 7.881 -8.477 -6.738 1.00 0.00 C ATOM 476 CD2 LEU A 58 9.751 -8.922 -5.084 1.00 0.00 C ATOM 0 H LEU A 58 6.190 -10.838 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 58 8.208 -8.900 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.799 -10.932 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.513 -10.042 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 58 8.726 -10.344 -6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.648 -8.193 -7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.052 -8.954 -7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.521 -7.587 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.434 -8.592 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.510 -8.081 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.225 -9.709 -4.497 1.00 0.00 H new ATOM 477 N TRP A 59 5.353 -7.572 -3.506 1.00 0.00 N ATOM 478 CA TRP A 59 4.623 -6.364 -3.857 1.00 0.00 C ATOM 479 C TRP A 59 4.774 -6.056 -5.346 1.00 0.00 C ATOM 480 O TRP A 59 5.298 -5.015 -5.736 1.00 0.00 O ATOM 481 CB TRP A 59 4.963 -5.181 -2.930 1.00 0.00 C ATOM 482 CG TRP A 59 4.447 -5.257 -1.522 1.00 0.00 C ATOM 483 CD1 TRP A 59 5.163 -4.991 -0.403 1.00 0.00 C ATOM 484 CD2 TRP A 59 3.114 -5.629 -1.054 1.00 0.00 C ATOM 485 NE1 TRP A 59 4.360 -5.145 0.712 1.00 0.00 N ATOM 486 CE2 TRP A 59 3.121 -5.629 0.372 1.00 0.00 C ATOM 487 CE3 TRP A 59 1.902 -6.000 -1.679 1.00 0.00 C ATOM 488 CZ2 TRP A 59 2.027 -6.056 1.134 1.00 0.00 C ATOM 489 CZ3 TRP A 59 0.811 -6.457 -0.926 1.00 0.00 C ATOM 490 CH2 TRP A 59 0.891 -6.531 0.473 1.00 0.00 C ATOM 0 H TRP A 59 4.752 -8.309 -3.137 1.00 0.00 H new ATOM 0 HA TRP A 59 3.561 -6.543 -3.687 1.00 0.00 H new ATOM 0 HB2 TRP A 59 6.048 -5.081 -2.890 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.576 -4.270 -3.386 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.204 -4.702 -0.385 1.00 0.00 H new ATOM 0 HE1 TRP A 59 4.651 -4.927 1.665 1.00 0.00 H new ATOM 0 HE3 TRP A 59 1.815 -5.930 -2.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.060 -6.019 2.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.098 -6.754 -1.427 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.075 -6.955 1.039 1.00 0.00 H new ATOM 491 N ASP A 60 4.255 -6.967 -6.176 1.00 0.00 N ATOM 492 CA ASP A 60 4.010 -6.699 -7.583 1.00 0.00 C ATOM 493 C ASP A 60 2.647 -6.013 -7.739 1.00 0.00 C ATOM 494 O ASP A 60 1.860 -5.931 -6.798 1.00 0.00 O ATOM 495 CB ASP A 60 4.110 -7.990 -8.412 1.00 0.00 C ATOM 496 CG ASP A 60 2.741 -8.542 -8.786 1.00 0.00 C ATOM 497 OD1 ASP A 60 2.088 -9.118 -7.892 1.00 0.00 O ATOM 498 OD2 ASP A 60 2.318 -8.281 -9.933 1.00 0.00 O ATOM 0 H ASP A 60 3.995 -7.909 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 60 4.776 -6.024 -7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.681 -7.793 -9.320 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.660 -8.741 -7.846 1.00 0.00 H new ATOM 499 N GLU A 61 2.375 -5.553 -8.956 1.00 0.00 N ATOM 500 CA GLU A 61 1.165 -4.906 -9.404 1.00 0.00 C ATOM 501 C GLU A 61 -0.081 -5.758 -9.106 1.00 0.00 C ATOM 502 O GLU A 61 -1.059 -5.273 -8.532 1.00 0.00 O ATOM 503 CB GLU A 61 1.422 -4.666 -10.902 1.00 0.00 C ATOM 504 CG GLU A 61 0.613 -3.552 -11.525 1.00 0.00 C ATOM 505 CD GLU A 61 1.273 -3.076 -12.813 1.00 0.00 C ATOM 506 OE1 GLU A 61 1.452 -3.902 -13.733 1.00 0.00 O ATOM 507 OE2 GLU A 61 1.692 -1.898 -12.841 1.00 0.00 O ATOM 0 H GLU A 61 3.057 -5.634 -9.710 1.00 0.00 H new ATOM 0 HA GLU A 61 0.949 -3.972 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.480 -4.446 -11.042 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.214 -5.590 -11.442 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.398 -3.901 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.525 -2.721 -10.825 1.00 0.00 H new ATOM 508 N ASN A 62 -0.046 -7.035 -9.487 1.00 0.00 N ATOM 509 CA ASN A 62 -1.156 -7.966 -9.323 1.00 0.00 C ATOM 510 C ASN A 62 -1.460 -8.198 -7.842 1.00 0.00 C ATOM 511 O ASN A 62 -2.590 -8.028 -7.381 1.00 0.00 O ATOM 512 CB ASN A 62 -0.807 -9.279 -10.029 1.00 0.00 C ATOM 513 CG ASN A 62 -1.904 -10.326 -9.885 1.00 0.00 C ATOM 514 OD1 ASN A 62 -3.083 -10.000 -9.803 1.00 0.00 O ATOM 515 ND2 ASN A 62 -1.527 -11.601 -9.861 1.00 0.00 N ATOM 0 H ASN A 62 0.772 -7.457 -9.927 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.055 -7.544 -9.772 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.632 -9.084 -11.087 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.123 -9.673 -9.619 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.226 -12.338 -9.772 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.538 -11.842 -9.931 1.00 0.00 H new ATOM 516 N ASN A 63 -0.445 -8.582 -7.073 1.00 0.00 N ATOM 517 CA ASN A 63 -0.593 -8.818 -5.648 1.00 0.00 C ATOM 518 C ASN A 63 -1.074 -7.546 -4.952 1.00 0.00 C ATOM 519 O ASN A 63 -2.060 -7.586 -4.215 1.00 0.00 O ATOM 520 CB ASN A 63 0.750 -9.313 -5.109 1.00 0.00 C ATOM 521 CG ASN A 63 0.720 -9.703 -3.639 1.00 0.00 C ATOM 522 OD1 ASN A 63 0.100 -9.051 -2.810 1.00 0.00 O ATOM 523 ND2 ASN A 63 1.430 -10.771 -3.285 1.00 0.00 N ATOM 0 H ASN A 63 0.500 -8.737 -7.424 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.347 -9.580 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.071 -10.173 -5.696 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.497 -8.533 -5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.464 -11.059 -2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.940 -11.301 -3.991 1.00 0.00 H new ATOM 524 N MET A 64 -0.420 -6.409 -5.224 1.00 0.00 N ATOM 525 CA MET A 64 -0.829 -5.123 -4.676 1.00 0.00 C ATOM 526 C MET A 64 -2.304 -4.867 -4.981 1.00 0.00 C ATOM 527 O MET A 64 -3.045 -4.447 -4.095 1.00 0.00 O ATOM 528 CB MET A 64 0.062 -3.990 -5.209 1.00 0.00 C ATOM 529 CG MET A 64 -0.181 -2.670 -4.461 1.00 0.00 C ATOM 530 SD MET A 64 0.243 -2.655 -2.699 1.00 0.00 S ATOM 531 CE MET A 64 2.049 -2.757 -2.776 1.00 0.00 C ATOM 0 H MET A 64 0.401 -6.362 -5.827 1.00 0.00 H new ATOM 0 HA MET A 64 -0.706 -5.149 -3.593 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.109 -4.275 -5.111 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.131 -3.846 -6.272 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.391 -1.886 -4.957 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.234 -2.409 -4.562 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.450 -2.883 -1.770 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.339 -3.609 -3.391 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.447 -1.841 -3.213 1.00 0.00 H new ATOM 532 N SER A 65 -2.744 -5.131 -6.217 1.00 0.00 N ATOM 533 CA SER A 65 -4.157 -5.035 -6.555 1.00 0.00 C ATOM 534 C SER A 65 -5.018 -5.807 -5.554 1.00 0.00 C ATOM 535 O SER A 65 -5.888 -5.211 -4.926 1.00 0.00 O ATOM 536 CB SER A 65 -4.429 -5.437 -8.017 1.00 0.00 C ATOM 537 OG SER A 65 -5.816 -5.611 -8.263 1.00 0.00 O ATOM 0 H SER A 65 -2.141 -5.411 -6.991 1.00 0.00 H new ATOM 0 HA SER A 65 -4.448 -3.987 -6.476 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.034 -4.671 -8.685 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.900 -6.362 -8.245 1.00 0.00 H new ATOM 0 HG SER A 65 -5.942 -6.281 -8.967 1.00 0.00 H new ATOM 538 N GLU A 66 -4.807 -7.116 -5.401 1.00 0.00 N ATOM 539 CA GLU A 66 -5.696 -7.914 -4.556 1.00 0.00 C ATOM 540 C GLU A 66 -5.606 -7.492 -3.091 1.00 0.00 C ATOM 541 O GLU A 66 -6.599 -7.406 -2.370 1.00 0.00 O ATOM 542 CB GLU A 66 -5.389 -9.406 -4.708 1.00 0.00 C ATOM 543 CG GLU A 66 -6.451 -10.330 -4.062 1.00 0.00 C ATOM 544 CD GLU A 66 -7.917 -10.178 -4.481 1.00 0.00 C ATOM 545 OE1 GLU A 66 -8.242 -9.348 -5.358 1.00 0.00 O ATOM 546 OE2 GLU A 66 -8.721 -10.906 -3.852 1.00 0.00 O ATOM 0 H GLU A 66 -4.047 -7.636 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.718 -7.734 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.309 -9.645 -5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.418 -9.615 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.156 -11.360 -4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.400 -10.187 -2.983 1.00 0.00 H new ATOM 547 N TYR A 67 -4.387 -7.220 -2.641 1.00 0.00 N ATOM 548 CA TYR A 67 -4.190 -6.619 -1.330 1.00 0.00 C ATOM 549 C TYR A 67 -5.080 -5.383 -1.179 1.00 0.00 C ATOM 550 O TYR A 67 -5.757 -5.217 -0.172 1.00 0.00 O ATOM 551 CB TYR A 67 -2.718 -6.284 -1.101 1.00 0.00 C ATOM 552 CG TYR A 67 -2.450 -5.675 0.263 1.00 0.00 C ATOM 553 CD1 TYR A 67 -2.356 -6.514 1.386 1.00 0.00 C ATOM 554 CD2 TYR A 67 -2.441 -4.279 0.438 1.00 0.00 C ATOM 555 CE1 TYR A 67 -2.267 -5.972 2.675 1.00 0.00 C ATOM 556 CE2 TYR A 67 -2.396 -3.736 1.734 1.00 0.00 C ATOM 557 CZ TYR A 67 -2.320 -4.583 2.854 1.00 0.00 C ATOM 558 OH TYR A 67 -2.557 -4.096 4.104 1.00 0.00 O ATOM 0 H TYR A 67 -3.528 -7.404 -3.160 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.480 -7.339 -0.565 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.124 -7.191 -1.210 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.385 -5.591 -1.873 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.352 -7.586 1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.469 -3.626 -0.422 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.158 -6.624 3.529 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.420 -2.665 1.870 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.565 -3.116 4.077 1.00 0.00 H new ATOM 559 N LEU A 68 -5.110 -4.511 -2.181 1.00 0.00 N ATOM 560 CA LEU A 68 -5.953 -3.331 -2.137 1.00 0.00 C ATOM 561 C LEU A 68 -7.446 -3.647 -2.210 1.00 0.00 C ATOM 562 O LEU A 68 -8.232 -3.004 -1.516 1.00 0.00 O ATOM 563 CB LEU A 68 -5.518 -2.344 -3.207 1.00 0.00 C ATOM 564 CG LEU A 68 -4.212 -1.626 -2.830 1.00 0.00 C ATOM 565 CD1 LEU A 68 -3.809 -0.692 -3.969 1.00 0.00 C ATOM 566 CD2 LEU A 68 -4.326 -0.810 -1.536 1.00 0.00 C ATOM 0 H LEU A 68 -4.558 -4.603 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.816 -2.868 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.383 -2.870 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.306 -1.607 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.460 -2.397 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.883 -0.179 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.659 -1.272 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.597 0.043 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.372 -0.328 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.099 -0.050 -1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.589 -1.472 -0.711 1.00 0.00 H new ATOM 567 N THR A 69 -7.870 -4.595 -3.045 1.00 0.00 N ATOM 568 CA THR A 69 -9.263 -5.040 -3.036 1.00 0.00 C ATOM 569 C THR A 69 -9.665 -5.508 -1.630 1.00 0.00 C ATOM 570 O THR A 69 -10.750 -5.149 -1.171 1.00 0.00 O ATOM 571 CB THR A 69 -9.578 -6.105 -4.104 1.00 0.00 C ATOM 572 OG1 THR A 69 -8.893 -7.298 -3.814 1.00 0.00 O ATOM 573 CG2 THR A 69 -9.266 -5.629 -5.525 1.00 0.00 C ATOM 0 H THR A 69 -7.277 -5.065 -3.729 1.00 0.00 H new ATOM 0 HA THR A 69 -9.870 -4.176 -3.306 1.00 0.00 H new ATOM 0 HB THR A 69 -10.652 -6.289 -4.069 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.936 -7.896 -4.589 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.507 -6.420 -6.235 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.861 -4.744 -5.751 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.207 -5.383 -5.602 1.00 0.00 H new ATOM 574 N ASN A 70 -8.810 -6.281 -0.943 1.00 0.00 N ATOM 575 CA ASN A 70 -9.088 -6.782 0.405 1.00 0.00 C ATOM 576 C ASN A 70 -7.803 -7.100 1.203 1.00 0.00 C ATOM 577 O ASN A 70 -7.312 -8.232 1.155 1.00 0.00 O ATOM 578 CB ASN A 70 -10.016 -7.988 0.311 1.00 0.00 C ATOM 579 CG ASN A 70 -10.497 -8.476 1.676 1.00 0.00 C ATOM 580 OD1 ASN A 70 -9.952 -8.125 2.719 1.00 0.00 O ATOM 581 ND2 ASN A 70 -11.544 -9.297 1.680 1.00 0.00 N ATOM 0 H ASN A 70 -7.905 -6.575 -1.311 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.586 -5.992 0.967 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.880 -7.729 -0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -9.497 -8.801 -0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.912 -9.650 2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.979 -9.573 0.800 1.00 0.00 H new ATOM 582 N PRO A 71 -7.274 -6.136 1.977 1.00 0.00 N ATOM 583 CA PRO A 71 -5.959 -6.256 2.602 1.00 0.00 C ATOM 584 C PRO A 71 -5.942 -7.324 3.690 1.00 0.00 C ATOM 585 O PRO A 71 -5.092 -8.212 3.703 1.00 0.00 O ATOM 586 CB PRO A 71 -5.624 -4.865 3.156 1.00 0.00 C ATOM 587 CG PRO A 71 -6.939 -4.086 3.159 1.00 0.00 C ATOM 588 CD PRO A 71 -7.837 -4.805 2.156 1.00 0.00 C ATOM 0 HA PRO A 71 -5.210 -6.578 1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.209 -4.935 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.877 -4.368 2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -7.388 -4.076 4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -6.781 -3.047 2.871 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.861 -4.863 2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.869 -4.267 1.209 1.00 0.00 H new ATOM 601 N LYS A 73 -7.539 -9.898 4.209 1.00 0.00 N ATOM 602 CA LYS A 73 -7.690 -11.260 3.729 1.00 0.00 C ATOM 603 C LYS A 73 -6.338 -11.717 3.209 1.00 0.00 C ATOM 604 O LYS A 73 -5.861 -12.801 3.533 1.00 0.00 O ATOM 605 CB LYS A 73 -8.744 -11.266 2.615 1.00 0.00 C ATOM 606 CG LYS A 73 -9.078 -12.672 2.082 1.00 0.00 C ATOM 607 CD LYS A 73 -8.537 -12.922 0.665 1.00 0.00 C ATOM 608 CE LYS A 73 -9.315 -12.141 -0.413 1.00 0.00 C ATOM 609 NZ LYS A 73 -8.745 -12.336 -1.764 1.00 0.00 N ATOM 0 HA LYS A 73 -8.018 -11.937 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.657 -10.803 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.390 -10.649 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.665 -13.419 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.160 -12.807 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.485 -12.638 0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.588 -13.988 0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.357 -12.461 -0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.307 -11.079 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.071 -11.573 -2.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.707 -12.319 -1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.057 -13.253 -2.143 1.00 0.00 H new ATOM 610 N TYR A 74 -5.738 -10.866 2.379 1.00 0.00 N ATOM 611 CA TYR A 74 -4.453 -11.131 1.764 1.00 0.00 C ATOM 612 C TYR A 74 -3.362 -11.314 2.823 1.00 0.00 C ATOM 613 O TYR A 74 -2.545 -12.228 2.712 1.00 0.00 O ATOM 614 CB TYR A 74 -4.121 -9.994 0.798 1.00 0.00 C ATOM 615 CG TYR A 74 -3.215 -10.427 -0.334 1.00 0.00 C ATOM 616 CD1 TYR A 74 -1.853 -10.692 -0.103 1.00 0.00 C ATOM 617 CD2 TYR A 74 -3.801 -10.812 -1.550 1.00 0.00 C ATOM 618 CE1 TYR A 74 -1.104 -11.389 -1.067 1.00 0.00 C ATOM 619 CE2 TYR A 74 -3.044 -11.472 -2.528 1.00 0.00 C ATOM 620 CZ TYR A 74 -1.695 -11.761 -2.288 1.00 0.00 C ATOM 621 OH TYR A 74 -0.992 -12.466 -3.218 1.00 0.00 O ATOM 0 H TYR A 74 -6.140 -9.966 2.116 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.503 -12.065 1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.047 -9.595 0.383 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.643 -9.184 1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.384 -10.361 0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.844 -10.598 -1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.072 -11.640 -0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.500 -11.757 -3.465 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.560 -12.635 -3.998 1.00 0.00 H new ATOM 622 N ILE A 75 -3.347 -10.449 3.844 1.00 0.00 N ATOM 623 CA ILE A 75 -2.417 -10.564 4.970 1.00 0.00 C ATOM 624 C ILE A 75 -3.243 -10.794 6.239 1.00 0.00 C ATOM 625 O ILE A 75 -3.779 -9.835 6.792 1.00 0.00 O ATOM 626 CB ILE A 75 -1.457 -9.353 5.052 1.00 0.00 C ATOM 627 CG1 ILE A 75 -0.647 -9.300 3.739 1.00 0.00 C ATOM 628 CG2 ILE A 75 -0.519 -9.473 6.273 1.00 0.00 C ATOM 629 CD1 ILE A 75 0.584 -8.392 3.767 1.00 0.00 C ATOM 0 H ILE A 75 -3.979 -9.651 3.912 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.752 -11.417 4.834 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.027 -8.433 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.327 -10.311 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.306 -8.966 2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.145 -8.610 6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.113 -9.510 7.186 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.074 -10.384 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.083 -8.425 2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.276 -7.369 3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.271 -8.735 4.541 1.00 0.00 H new ATOM 630 N PRO A 76 -3.374 -12.047 6.713 1.00 0.00 N ATOM 631 CA PRO A 76 -4.230 -12.388 7.839 1.00 0.00 C ATOM 632 C PRO A 76 -3.561 -11.985 9.158 1.00 0.00 C ATOM 633 O PRO A 76 -3.160 -12.831 9.953 1.00 0.00 O ATOM 634 CB PRO A 76 -4.460 -13.897 7.717 1.00 0.00 C ATOM 635 CG PRO A 76 -3.156 -14.391 7.096 1.00 0.00 C ATOM 636 CD PRO A 76 -2.784 -13.254 6.145 1.00 0.00 C ATOM 0 HA PRO A 76 -5.182 -11.857 7.832 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.645 -14.357 8.688 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.320 -14.125 7.087 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.386 -14.557 7.850 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.292 -15.334 6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -1.702 -13.156 6.058 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.168 -13.442 5.143 1.00 0.00 H new ATOM 637 N GLY A 77 -3.444 -10.677 9.388 1.00 0.00 N ATOM 638 CA GLY A 77 -2.851 -10.113 10.588 1.00 0.00 C ATOM 639 C GLY A 77 -2.251 -8.753 10.256 1.00 0.00 C ATOM 640 O GLY A 77 -1.038 -8.564 10.307 1.00 0.00 O ATOM 0 H GLY A 77 -3.767 -9.970 8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.606 -10.011 11.368 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.080 -10.779 10.975 1.00 0.00 H new ATOM 641 N THR A 78 -3.121 -7.804 9.913 1.00 0.00 N ATOM 642 CA THR A 78 -2.759 -6.423 9.662 1.00 0.00 C ATOM 643 C THR A 78 -3.654 -5.544 10.530 1.00 0.00 C ATOM 644 O THR A 78 -4.861 -5.774 10.629 1.00 0.00 O ATOM 645 CB THR A 78 -2.862 -6.090 8.162 1.00 0.00 C ATOM 646 OG1 THR A 78 -2.786 -4.696 7.993 1.00 0.00 O ATOM 647 CG2 THR A 78 -4.173 -6.528 7.514 1.00 0.00 C ATOM 0 H THR A 78 -4.118 -7.985 9.801 1.00 0.00 H new ATOM 0 HA THR A 78 -1.718 -6.238 9.929 1.00 0.00 H new ATOM 0 HB THR A 78 -2.044 -6.631 7.686 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.530 -4.492 7.069 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.165 -6.257 6.458 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.283 -7.608 7.610 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.007 -6.032 8.010 1.00 0.00 H new ATOM 648 N LYS A 79 -3.053 -4.527 11.152 1.00 0.00 N ATOM 649 CA LYS A 79 -3.764 -3.479 11.866 1.00 0.00 C ATOM 650 C LYS A 79 -4.541 -2.583 10.889 1.00 0.00 C ATOM 651 O LYS A 79 -5.333 -1.746 11.323 1.00 0.00 O ATOM 652 CB LYS A 79 -2.737 -2.692 12.698 1.00 0.00 C ATOM 653 CG LYS A 79 -3.338 -1.473 13.409 1.00 0.00 C ATOM 654 CD LYS A 79 -2.344 -0.902 14.430 1.00 0.00 C ATOM 655 CE LYS A 79 -2.786 0.467 14.968 1.00 0.00 C ATOM 656 NZ LYS A 79 -4.085 0.414 15.671 1.00 0.00 N ATOM 0 H LYS A 79 -2.040 -4.412 11.170 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.509 -3.907 12.537 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.296 -3.356 13.441 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.928 -2.362 12.046 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.596 -0.708 12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.262 -1.757 13.912 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.238 -1.600 15.261 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.362 -0.808 13.965 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.025 0.848 15.649 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.855 1.173 14.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.326 1.361 16.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.823 0.094 15.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.021 -0.250 16.469 1.00 0.00 H new ATOM 657 N ALA A 80 -4.298 -2.717 9.583 1.00 0.00 N ATOM 658 CA ALA A 80 -4.846 -1.847 8.562 1.00 0.00 C ATOM 659 C ALA A 80 -6.377 -1.885 8.515 1.00 0.00 C ATOM 660 O ALA A 80 -6.980 -2.644 7.756 1.00 0.00 O ATOM 661 CB ALA A 80 -4.219 -2.212 7.220 1.00 0.00 C ATOM 0 H ALA A 80 -3.700 -3.453 9.207 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.595 -0.815 8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -4.623 -1.564 6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.138 -2.082 7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.447 -3.251 6.982 1.00 0.00 H new ATOM 662 N ALA A 81 -7.013 -1.025 9.315 1.00 0.00 N ATOM 663 CA ALA A 81 -8.447 -0.784 9.301 1.00 0.00 C ATOM 664 C ALA A 81 -8.850 -0.002 8.047 1.00 0.00 C ATOM 665 O ALA A 81 -9.375 1.105 8.139 1.00 0.00 O ATOM 666 CB ALA A 81 -8.851 -0.060 10.590 1.00 0.00 C ATOM 0 H ALA A 81 -6.523 -0.462 10.010 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.981 -1.734 9.264 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.926 0.123 10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.593 -0.678 11.450 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.322 0.891 10.654 1.00 0.00 H new ATOM 667 N PHE A 82 -8.600 -0.587 6.874 1.00 0.00 N ATOM 668 CA PHE A 82 -8.944 -0.039 5.575 1.00 0.00 C ATOM 669 C PHE A 82 -9.914 -1.007 4.896 1.00 0.00 C ATOM 670 O PHE A 82 -9.693 -2.217 4.910 1.00 0.00 O ATOM 671 CB PHE A 82 -7.664 0.172 4.754 1.00 0.00 C ATOM 672 CG PHE A 82 -7.908 0.605 3.320 1.00 0.00 C ATOM 673 CD1 PHE A 82 -8.849 1.611 3.030 1.00 0.00 C ATOM 674 CD2 PHE A 82 -7.301 -0.102 2.267 1.00 0.00 C ATOM 675 CE1 PHE A 82 -9.302 1.788 1.714 1.00 0.00 C ATOM 676 CE2 PHE A 82 -7.744 0.080 0.949 1.00 0.00 C ATOM 677 CZ PHE A 82 -8.771 0.996 0.679 1.00 0.00 C ATOM 0 H PHE A 82 -8.133 -1.492 6.808 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.430 0.932 5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.048 0.923 5.249 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.092 -0.756 4.749 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.222 2.246 3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.492 -0.787 2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.056 2.530 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.296 -0.484 0.144 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.155 1.094 -0.326 1.00 0.00 H new ATOM 678 N GLY A 83 -11.013 -0.476 4.351 1.00 0.00 N ATOM 679 CA GLY A 83 -12.098 -1.272 3.797 1.00 0.00 C ATOM 680 C GLY A 83 -11.673 -2.041 2.547 1.00 0.00 C ATOM 681 O GLY A 83 -11.957 -3.231 2.432 1.00 0.00 O ATOM 0 H GLY A 83 -11.170 0.530 4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -12.451 -1.975 4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -12.936 -0.620 3.552 1.00 0.00 H new ATOM 682 N GLY A 84 -11.026 -1.352 1.602 1.00 0.00 N ATOM 683 CA GLY A 84 -10.582 -1.930 0.341 1.00 0.00 C ATOM 684 C GLY A 84 -10.923 -1.026 -0.851 1.00 0.00 C ATOM 685 O GLY A 84 -11.605 -0.004 -0.709 1.00 0.00 O ATOM 0 H GLY A 84 -10.795 -0.363 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.505 -2.095 0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.050 -2.905 0.203 1.00 0.00 H new ATOM 686 N LEU A 85 -10.428 -1.399 -2.036 1.00 0.00 N ATOM 687 CA LEU A 85 -10.636 -0.723 -3.316 1.00 0.00 C ATOM 688 C LEU A 85 -11.357 -1.655 -4.300 1.00 0.00 C ATOM 689 O LEU A 85 -10.916 -1.869 -5.426 1.00 0.00 O ATOM 690 CB LEU A 85 -9.284 -0.226 -3.865 1.00 0.00 C ATOM 691 CG LEU A 85 -8.876 1.164 -3.374 1.00 0.00 C ATOM 692 CD1 LEU A 85 -7.461 1.510 -3.830 1.00 0.00 C ATOM 693 CD2 LEU A 85 -9.818 2.266 -3.859 1.00 0.00 C ATOM 0 H LEU A 85 -9.839 -2.227 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.277 0.147 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.508 -0.939 -3.586 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.330 -0.215 -4.954 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.927 1.119 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.195 2.503 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -6.760 0.778 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.416 1.497 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.477 3.229 -3.479 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -9.823 2.287 -4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.827 2.069 -3.496 1.00 0.00 H new ATOM 694 N LYS A 86 -12.509 -2.184 -3.878 1.00 0.00 N ATOM 695 CA LYS A 86 -13.298 -3.124 -4.669 1.00 0.00 C ATOM 696 C LYS A 86 -13.675 -2.579 -6.055 1.00 0.00 C ATOM 697 O LYS A 86 -13.734 -3.335 -7.019 1.00 0.00 O ATOM 698 CB LYS A 86 -14.541 -3.558 -3.889 1.00 0.00 C ATOM 699 CG LYS A 86 -14.718 -5.058 -4.150 1.00 0.00 C ATOM 700 CD LYS A 86 -16.086 -5.579 -3.740 1.00 0.00 C ATOM 701 CE LYS A 86 -16.279 -5.626 -2.217 1.00 0.00 C ATOM 702 NZ LYS A 86 -17.581 -6.221 -1.843 1.00 0.00 N ATOM 0 H LYS A 86 -12.921 -1.968 -2.970 1.00 0.00 H new ATOM 0 HA LYS A 86 -12.668 -3.995 -4.851 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -14.419 -3.362 -2.824 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.419 -3.001 -4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.563 -5.257 -5.211 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.949 -5.608 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.856 -4.945 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.225 -6.580 -4.149 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.473 -6.205 -1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.211 -4.617 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -17.672 -6.234 -0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.352 -5.654 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.636 -7.193 -2.208 1.00 0.00 H new ATOM 703 N LYS A 87 -13.970 -1.278 -6.140 1.00 0.00 N ATOM 704 CA LYS A 87 -14.438 -0.618 -7.355 1.00 0.00 C ATOM 705 C LYS A 87 -13.538 -0.849 -8.579 1.00 0.00 C ATOM 706 O LYS A 87 -14.029 -0.874 -9.704 1.00 0.00 O ATOM 707 CB LYS A 87 -14.583 0.884 -7.096 1.00 0.00 C ATOM 708 CG LYS A 87 -15.801 1.234 -6.225 1.00 0.00 C ATOM 709 CD LYS A 87 -16.131 2.735 -6.315 1.00 0.00 C ATOM 710 CE LYS A 87 -15.100 3.622 -5.595 1.00 0.00 C ATOM 711 NZ LYS A 87 -14.687 4.773 -6.424 1.00 0.00 N ATOM 0 H LYS A 87 -13.887 -0.643 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 87 -15.401 -1.067 -7.598 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.679 1.251 -6.610 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.665 1.404 -8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.663 0.649 -6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.601 0.964 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.184 3.027 -7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.117 2.911 -5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.524 3.983 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.224 3.026 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.919 5.287 -5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.353 4.433 -7.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.497 5.410 -6.562 1.00 0.00 H new ATOM 712 N GLU A 88 -12.219 -0.896 -8.381 1.00 0.00 N ATOM 713 CA GLU A 88 -11.183 -1.123 -9.386 1.00 0.00 C ATOM 714 C GLU A 88 -10.901 0.124 -10.241 1.00 0.00 C ATOM 715 O GLU A 88 -9.751 0.430 -10.575 1.00 0.00 O ATOM 716 CB GLU A 88 -11.468 -2.364 -10.250 1.00 0.00 C ATOM 717 CG GLU A 88 -10.116 -2.912 -10.723 1.00 0.00 C ATOM 718 CD GLU A 88 -10.186 -3.981 -11.805 1.00 0.00 C ATOM 719 OE1 GLU A 88 -11.287 -4.205 -12.343 1.00 0.00 O ATOM 720 OE2 GLU A 88 -9.084 -4.511 -12.096 1.00 0.00 O ATOM 0 H GLU A 88 -11.821 -0.768 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.267 -1.329 -8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.008 -3.117 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.096 -2.103 -11.102 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.517 -2.081 -11.095 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.589 -3.324 -9.862 1.00 0.00 H new ATOM 721 N LYS A 89 -11.967 0.846 -10.585 1.00 0.00 N ATOM 722 CA LYS A 89 -11.933 2.082 -11.360 1.00 0.00 C ATOM 723 C LYS A 89 -10.940 3.099 -10.800 1.00 0.00 C ATOM 724 O LYS A 89 -10.295 3.821 -11.555 1.00 0.00 O ATOM 725 CB LYS A 89 -13.334 2.676 -11.480 1.00 0.00 C ATOM 726 CG LYS A 89 -14.101 2.197 -12.723 1.00 0.00 C ATOM 727 CD LYS A 89 -13.361 2.628 -14.004 1.00 0.00 C ATOM 728 CE LYS A 89 -14.288 2.901 -15.196 1.00 0.00 C ATOM 729 NZ LYS A 89 -14.985 1.685 -15.662 1.00 0.00 N ATOM 0 H LYS A 89 -12.914 0.574 -10.320 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.578 1.829 -12.359 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.906 2.419 -10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.258 3.763 -11.507 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.203 1.112 -12.701 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.109 2.612 -12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.783 3.528 -13.793 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.650 1.850 -14.280 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.025 3.653 -14.914 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.705 3.319 -16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.598 1.923 -16.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.285 0.975 -15.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.564 1.299 -14.889 1.00 0.00 H new ATOM 730 N ASP A 90 -10.830 3.145 -9.481 1.00 0.00 N ATOM 731 CA ASP A 90 -9.876 3.948 -8.745 1.00 0.00 C ATOM 732 C ASP A 90 -8.523 3.250 -8.725 1.00 0.00 C ATOM 733 O ASP A 90 -7.508 3.809 -9.138 1.00 0.00 O ATOM 734 CB ASP A 90 -10.417 4.092 -7.311 1.00 0.00 C ATOM 735 CG ASP A 90 -11.881 4.495 -7.187 1.00 0.00 C ATOM 736 OD1 ASP A 90 -12.739 3.820 -7.806 1.00 0.00 O ATOM 737 OD2 ASP A 90 -12.207 5.385 -6.373 1.00 0.00 O ATOM 0 H ASP A 90 -11.434 2.596 -8.869 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.747 4.926 -9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.277 3.143 -6.794 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.811 4.832 -6.788 1.00 0.00 H new ATOM 738 N ARG A 91 -8.538 2.018 -8.215 1.00 0.00 N ATOM 739 CA ARG A 91 -7.385 1.151 -8.034 1.00 0.00 C ATOM 740 C ARG A 91 -6.425 1.233 -9.211 1.00 0.00 C ATOM 741 O ARG A 91 -5.229 1.376 -9.005 1.00 0.00 O ATOM 742 CB ARG A 91 -7.855 -0.289 -7.855 1.00 0.00 C ATOM 743 CG ARG A 91 -6.751 -1.229 -7.369 1.00 0.00 C ATOM 744 CD ARG A 91 -6.801 -2.558 -8.130 1.00 0.00 C ATOM 745 NE ARG A 91 -6.522 -2.386 -9.568 1.00 0.00 N ATOM 746 CZ ARG A 91 -6.945 -3.244 -10.509 1.00 0.00 C ATOM 747 NH1 ARG A 91 -7.291 -4.489 -10.193 1.00 0.00 N ATOM 748 NH2 ARG A 91 -7.091 -2.859 -11.777 1.00 0.00 N ATOM 0 H ARG A 91 -9.404 1.579 -7.902 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.850 1.485 -7.145 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.680 -0.309 -7.142 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.245 -0.657 -8.804 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.778 -0.759 -7.510 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.865 -1.411 -6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.075 -3.248 -7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.785 -3.010 -8.004 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.980 -1.574 -9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.237 -4.803 -9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.611 -5.130 -10.920 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.880 -1.898 -12.046 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.414 -3.526 -12.478 1.00 0.00 H new ATOM 749 N ASN A 92 -6.919 1.096 -10.441 1.00 0.00 N ATOM 750 CA ASN A 92 -6.021 1.159 -11.591 1.00 0.00 C ATOM 751 C ASN A 92 -5.207 2.459 -11.632 1.00 0.00 C ATOM 752 O ASN A 92 -3.982 2.407 -11.792 1.00 0.00 O ATOM 753 CB ASN A 92 -6.721 0.881 -12.924 1.00 0.00 C ATOM 754 CG ASN A 92 -7.672 1.986 -13.339 1.00 0.00 C ATOM 755 OD1 ASN A 92 -7.332 2.847 -14.139 1.00 0.00 O ATOM 756 ND2 ASN A 92 -8.873 1.963 -12.784 1.00 0.00 N ATOM 0 H ASN A 92 -7.903 0.946 -10.663 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.312 0.344 -11.447 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.969 0.747 -13.701 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.273 -0.056 -12.849 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -9.557 2.682 -13.019 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.115 1.226 -12.121 1.00 0.00 H new ATOM 757 N ASP A 93 -5.854 3.617 -11.459 1.00 0.00 N ATOM 758 CA ASP A 93 -5.111 4.875 -11.513 1.00 0.00 C ATOM 759 C ASP A 93 -4.225 4.991 -10.272 1.00 0.00 C ATOM 760 O ASP A 93 -3.035 5.293 -10.369 1.00 0.00 O ATOM 761 CB ASP A 93 -6.040 6.087 -11.670 1.00 0.00 C ATOM 762 CG ASP A 93 -6.249 6.517 -13.120 1.00 0.00 C ATOM 763 OD1 ASP A 93 -5.240 6.640 -13.854 1.00 0.00 O ATOM 764 OD2 ASP A 93 -7.423 6.779 -13.459 1.00 0.00 O ATOM 0 H ASP A 93 -6.855 3.708 -11.286 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.477 4.869 -12.399 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.008 5.851 -11.227 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -5.628 6.925 -11.108 1.00 0.00 H new ATOM 765 N LEU A 94 -4.801 4.719 -9.098 1.00 0.00 N ATOM 766 CA LEU A 94 -4.070 4.729 -7.838 1.00 0.00 C ATOM 767 C LEU A 94 -2.777 3.916 -7.938 1.00 0.00 C ATOM 768 O LEU A 94 -1.701 4.444 -7.667 1.00 0.00 O ATOM 769 CB LEU A 94 -4.971 4.235 -6.700 1.00 0.00 C ATOM 770 CG LEU A 94 -4.206 4.097 -5.377 1.00 0.00 C ATOM 771 CD1 LEU A 94 -3.480 5.377 -4.952 1.00 0.00 C ATOM 772 CD2 LEU A 94 -5.127 3.691 -4.253 1.00 0.00 C ATOM 0 H LEU A 94 -5.789 4.486 -8.999 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.778 5.755 -7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.801 4.929 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.402 3.271 -6.971 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.460 3.325 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.961 5.205 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.757 5.657 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.205 6.182 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.556 3.601 -3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.903 4.446 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.588 2.732 -4.489 1.00 0.00 H new ATOM 773 N ILE A 95 -2.863 2.642 -8.332 1.00 0.00 N ATOM 774 CA ILE A 95 -1.693 1.799 -8.501 1.00 0.00 C ATOM 775 C ILE A 95 -0.703 2.459 -9.452 1.00 0.00 C ATOM 776 O ILE A 95 0.478 2.511 -9.132 1.00 0.00 O ATOM 777 CB ILE A 95 -2.081 0.396 -8.980 1.00 0.00 C ATOM 778 CG1 ILE A 95 -2.826 -0.345 -7.856 1.00 0.00 C ATOM 779 CG2 ILE A 95 -0.800 -0.361 -9.375 1.00 0.00 C ATOM 780 CD1 ILE A 95 -3.471 -1.615 -8.398 1.00 0.00 C ATOM 0 H ILE A 95 -3.745 2.175 -8.540 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.209 1.683 -7.531 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.742 0.460 -9.845 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -2.132 -0.595 -7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.589 0.304 -7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.060 -1.362 -9.718 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.292 0.177 -10.176 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.139 -0.434 -8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.995 -2.129 -7.592 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.180 -1.356 -9.184 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.700 -2.269 -8.806 1.00 0.00 H new ATOM 781 N THR A 96 -1.158 2.954 -10.605 1.00 0.00 N ATOM 782 CA THR A 96 -0.259 3.616 -11.542 1.00 0.00 C ATOM 783 C THR A 96 0.531 4.727 -10.844 1.00 0.00 C ATOM 784 O THR A 96 1.756 4.795 -10.959 1.00 0.00 O ATOM 785 CB THR A 96 -1.046 4.146 -12.747 1.00 0.00 C ATOM 786 OG1 THR A 96 -1.762 3.079 -13.338 1.00 0.00 O ATOM 787 CG2 THR A 96 -0.083 4.764 -13.764 1.00 0.00 C ATOM 0 H THR A 96 -2.131 2.908 -10.906 1.00 0.00 H new ATOM 0 HA THR A 96 0.465 2.889 -11.911 1.00 0.00 H new ATOM 0 HB THR A 96 -1.747 4.914 -12.420 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.571 2.898 -12.815 1.00 0.00 H new ATOM 0 HG21 THR A 96 -0.647 5.139 -14.618 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.460 5.587 -13.298 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.625 4.007 -14.101 1.00 0.00 H new ATOM 788 N TYR A 97 -0.164 5.591 -10.102 1.00 0.00 N ATOM 789 CA TYR A 97 0.503 6.645 -9.357 1.00 0.00 C ATOM 790 C TYR A 97 1.499 6.052 -8.352 1.00 0.00 C ATOM 791 O TYR A 97 2.663 6.445 -8.330 1.00 0.00 O ATOM 792 CB TYR A 97 -0.539 7.528 -8.666 1.00 0.00 C ATOM 793 CG TYR A 97 0.036 8.506 -7.660 1.00 0.00 C ATOM 794 CD1 TYR A 97 0.739 9.642 -8.101 1.00 0.00 C ATOM 795 CD2 TYR A 97 -0.120 8.273 -6.281 1.00 0.00 C ATOM 796 CE1 TYR A 97 1.177 10.602 -7.172 1.00 0.00 C ATOM 797 CE2 TYR A 97 0.340 9.222 -5.353 1.00 0.00 C ATOM 798 CZ TYR A 97 0.953 10.404 -5.801 1.00 0.00 C ATOM 799 OH TYR A 97 1.242 11.402 -4.918 1.00 0.00 O ATOM 0 H TYR A 97 -1.179 5.578 -10.005 1.00 0.00 H new ATOM 0 HA TYR A 97 1.073 7.267 -10.047 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.085 8.087 -9.426 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.262 6.888 -8.160 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.942 9.777 -9.153 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.593 7.365 -5.936 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.686 11.491 -7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.222 9.043 -4.294 1.00 0.00 H new ATOM 0 HH TYR A 97 1.029 11.106 -4.008 1.00 0.00 H new ATOM 800 N LEU A 98 1.042 5.117 -7.513 1.00 0.00 N ATOM 801 CA LEU A 98 1.844 4.533 -6.439 1.00 0.00 C ATOM 802 C LEU A 98 3.119 3.901 -6.984 1.00 0.00 C ATOM 803 O LEU A 98 4.214 4.103 -6.463 1.00 0.00 O ATOM 804 CB LEU A 98 1.040 3.460 -5.683 1.00 0.00 C ATOM 805 CG LEU A 98 1.036 3.704 -4.165 1.00 0.00 C ATOM 806 CD1 LEU A 98 -0.400 3.918 -3.708 1.00 0.00 C ATOM 807 CD2 LEU A 98 1.628 2.528 -3.395 1.00 0.00 C ATOM 0 H LEU A 98 0.095 4.742 -7.563 1.00 0.00 H new ATOM 0 HA LEU A 98 2.110 5.341 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.014 3.450 -6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.463 2.477 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 98 1.650 4.581 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.417 4.092 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.821 4.782 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.992 3.033 -3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.605 2.744 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.044 1.630 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.659 2.368 -3.711 1.00 0.00 H new ATOM 808 N LYS A 99 2.953 3.115 -8.041 1.00 0.00 N ATOM 809 CA LYS A 99 4.017 2.487 -8.779 1.00 0.00 C ATOM 810 C LYS A 99 5.082 3.521 -9.119 1.00 0.00 C ATOM 811 O LYS A 99 6.258 3.286 -8.860 1.00 0.00 O ATOM 812 CB LYS A 99 3.399 1.818 -10.008 1.00 0.00 C ATOM 813 CG LYS A 99 4.450 1.175 -10.907 1.00 0.00 C ATOM 814 CD LYS A 99 3.711 0.257 -11.887 1.00 0.00 C ATOM 815 CE LYS A 99 4.652 -0.399 -12.905 1.00 0.00 C ATOM 816 NZ LYS A 99 3.878 -1.094 -13.954 1.00 0.00 N ATOM 0 H LYS A 99 2.030 2.895 -8.415 1.00 0.00 H new ATOM 0 HA LYS A 99 4.521 1.717 -8.195 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.686 1.059 -9.686 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.839 2.559 -10.579 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.014 1.937 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.167 0.607 -10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.188 -0.519 -11.328 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.953 0.833 -12.417 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.291 0.358 -13.358 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.307 -1.108 -12.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.497 -1.760 -14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.091 -1.616 -13.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.500 -0.396 -14.626 1.00 0.00 H new ATOM 817 N LYS A 100 4.678 4.672 -9.667 1.00 0.00 N ATOM 818 CA LYS A 100 5.641 5.689 -10.031 1.00 0.00 C ATOM 819 C LYS A 100 6.279 6.308 -8.792 1.00 0.00 C ATOM 820 O LYS A 100 7.486 6.501 -8.715 1.00 0.00 O ATOM 821 CB LYS A 100 4.992 6.792 -10.867 1.00 0.00 C ATOM 822 CG LYS A 100 6.080 7.267 -11.840 1.00 0.00 C ATOM 823 CD LYS A 100 6.096 8.779 -12.084 1.00 0.00 C ATOM 824 CE LYS A 100 7.464 9.127 -12.698 1.00 0.00 C ATOM 825 NZ LYS A 100 7.670 10.579 -12.845 1.00 0.00 N ATOM 0 H LYS A 100 3.705 4.910 -9.861 1.00 0.00 H new ATOM 0 HA LYS A 100 6.413 5.201 -10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.122 6.415 -11.405 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.646 7.610 -10.236 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.053 6.964 -11.454 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.943 6.759 -12.795 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.288 9.069 -12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.944 9.321 -11.151 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.254 8.714 -12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 100 7.551 8.651 -13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 8.606 10.756 -13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.934 10.973 -13.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.616 11.034 -11.911 1.00 0.00 H new ATOM 826 N ALA A 101 5.443 6.650 -7.817 1.00 0.00 N ATOM 827 CA ALA A 101 5.913 7.153 -6.532 1.00 0.00 C ATOM 828 C ALA A 101 6.974 6.230 -5.919 1.00 0.00 C ATOM 829 O ALA A 101 7.891 6.695 -5.247 1.00 0.00 O ATOM 830 CB ALA A 101 4.733 7.320 -5.582 1.00 0.00 C ATOM 0 H ALA A 101 4.428 6.587 -7.894 1.00 0.00 H new ATOM 0 HA ALA A 101 6.382 8.123 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.089 7.696 -4.623 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.021 8.027 -6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.245 6.357 -5.435 1.00 0.00 H new ATOM 831 N SER A 102 6.838 4.926 -6.158 1.00 0.00 N ATOM 832 CA SER A 102 7.743 3.883 -5.709 1.00 0.00 C ATOM 833 C SER A 102 8.713 3.453 -6.824 1.00 0.00 C ATOM 834 O SER A 102 9.149 2.301 -6.802 1.00 0.00 O ATOM 835 CB SER A 102 6.876 2.709 -5.233 1.00 0.00 C ATOM 836 OG SER A 102 7.656 1.670 -4.666 1.00 0.00 O ATOM 0 H SER A 102 6.054 4.557 -6.696 1.00 0.00 H new ATOM 0 HA SER A 102 8.370 4.249 -4.896 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.156 3.065 -4.496 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.304 2.316 -6.074 1.00 0.00 H new ATOM 0 HG SER A 102 8.454 1.523 -5.215 1.00 0.00 H new ATOM 837 N GLU A 103 9.027 4.347 -7.768 1.00 0.00 N ATOM 838 CA GLU A 103 10.031 4.152 -8.806 1.00 0.00 C ATOM 839 C GLU A 103 11.386 4.601 -8.239 1.00 0.00 C ATOM 840 O GLU A 103 11.759 5.773 -8.460 1.00 0.00 O ATOM 841 CB GLU A 103 9.581 4.924 -10.064 1.00 0.00 C ATOM 842 CG GLU A 103 10.319 4.606 -11.369 1.00 0.00 C ATOM 843 CD GLU A 103 9.677 5.303 -12.570 1.00 0.00 C ATOM 844 OE1 GLU A 103 9.242 6.469 -12.416 1.00 0.00 O ATOM 845 OE2 GLU A 103 9.610 4.654 -13.635 1.00 0.00 O ATOM 846 OXT GLU A 103 12.013 3.773 -7.539 1.00 0.00 O ATOM 0 H GLU A 103 8.570 5.257 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 103 10.142 3.110 -9.105 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.519 4.733 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.687 5.990 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.360 4.917 -11.283 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.320 3.528 -11.532 1.00 0.00 H new