USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 693 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 39 ASN : amide:sc= 0.401 K(o=1.7,f=-9.2!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ -158:sc= 1.29 (180deg=-0.538) USER MOD Single : A 1 VAL N :NH3+ 160:sc= 1.26 (180deg=0.837) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.141 K(o=-0.14,f=-0.95) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -114:sc= 1.28 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -1.57 F(o=-2.6!,f=-1.6) USER MOD Single : A 35 THR OG1 : rot 90:sc= 0.933 USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 1.18 (180deg=1.15) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.45 K(o=-0.45,f=-3.5!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc=-0.00621 (180deg=-0.156) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -91:sc= 1.25 USER MOD Single : A 66 GLN : amide:sc= -0.0475 X(o=-0.048,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 1.32 (180deg=0.383) USER MOD Single : A 73 TYR OH : rot 0:sc= -0.185 USER MOD Single : A 79 GLN : amide:sc=-0.00496 K(o=-0.005,f=-1.6!) USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.12) USER MOD Single : A 84 TYR OH : rot 166:sc= 0.143 USER MOD Single : A 85 SER OG : rot -80:sc= 1.03 USER MOD Single : A 86 SER OG : rot 38:sc= 0.454 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -11.074 9.049 -3.010 1.00 0.00 N ATOM 2 CA VAL A 1 -11.454 9.221 -1.591 1.00 0.00 C ATOM 3 C VAL A 1 -10.512 8.604 -0.614 1.00 0.00 C ATOM 4 O VAL A 1 -10.335 7.387 -0.561 1.00 0.00 O ATOM 5 CB VAL A 1 -12.871 8.797 -1.343 1.00 0.00 C ATOM 6 CG1 VAL A 1 -13.829 9.920 -1.773 1.00 0.00 C ATOM 7 CG2 VAL A 1 -13.237 7.491 -2.069 1.00 0.00 C ATOM 0 H1 VAL A 1 -11.909 9.192 -3.613 1.00 0.00 H new ATOM 0 H2 VAL A 1 -10.343 9.745 -3.261 1.00 0.00 H new ATOM 0 H3 VAL A 1 -10.702 8.089 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 1 -11.380 10.293 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 1 -12.969 8.606 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -14.858 9.610 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -13.615 10.821 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -13.694 10.127 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -14.274 7.233 -1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -13.113 7.625 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -12.584 6.689 -1.725 1.00 0.00 H new ATOM 19 N SER A 2 -9.854 9.432 0.216 1.00 0.00 N ATOM 20 CA SER A 2 -8.872 9.108 1.204 1.00 0.00 C ATOM 21 C SER A 2 -9.424 8.419 2.403 1.00 0.00 C ATOM 22 O SER A 2 -8.720 7.703 3.113 1.00 0.00 O ATOM 23 CB SER A 2 -8.183 10.374 1.742 1.00 0.00 C ATOM 24 OG SER A 2 -7.600 11.109 0.675 1.00 0.00 O ATOM 0 H SER A 2 -10.031 10.436 0.190 1.00 0.00 H new ATOM 0 HA SER A 2 -8.184 8.445 0.680 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.908 10.996 2.267 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.415 10.099 2.465 1.00 0.00 H new ATOM 0 HG SER A 2 -7.166 11.913 1.030 1.00 0.00 H new ATOM 30 N GLN A 3 -10.726 8.596 2.692 1.00 0.00 N ATOM 31 CA GLN A 3 -11.385 7.913 3.763 1.00 0.00 C ATOM 32 C GLN A 3 -11.606 6.472 3.458 1.00 0.00 C ATOM 33 O GLN A 3 -11.282 5.576 4.237 1.00 0.00 O ATOM 34 CB GLN A 3 -12.719 8.600 4.094 1.00 0.00 C ATOM 35 CG GLN A 3 -12.549 9.956 4.782 1.00 0.00 C ATOM 36 CD GLN A 3 -11.930 9.791 6.163 1.00 0.00 C ATOM 37 OE1 GLN A 3 -12.106 8.775 6.834 1.00 0.00 O ATOM 38 NE2 GLN A 3 -11.160 10.816 6.618 1.00 0.00 N ATOM 0 H GLN A 3 -11.334 9.227 2.170 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.730 7.964 4.633 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.287 8.736 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.307 7.945 4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.918 10.602 4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.518 10.448 4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.028 11.649 6.044 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.714 10.752 7.533 1.00 0.00 H new ATOM 47 N LEU A 4 -12.116 6.199 2.243 1.00 0.00 N ATOM 48 CA LEU A 4 -12.373 4.889 1.729 1.00 0.00 C ATOM 49 C LEU A 4 -11.118 4.092 1.626 1.00 0.00 C ATOM 50 O LEU A 4 -11.050 2.918 1.984 1.00 0.00 O ATOM 51 CB LEU A 4 -12.891 4.969 0.284 1.00 0.00 C ATOM 52 CG LEU A 4 -13.199 3.592 -0.329 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.308 2.856 0.442 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.647 3.757 -1.791 1.00 0.00 C ATOM 0 H LEU A 4 -12.363 6.936 1.582 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.092 4.435 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.794 5.579 0.262 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.149 5.476 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.284 3.002 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.494 1.888 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.995 2.707 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.221 3.450 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.863 2.778 -2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.544 4.376 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.852 4.235 -2.363 1.00 0.00 H new ATOM 66 N PHE A 5 -10.068 4.766 1.123 1.00 0.00 N ATOM 67 CA PHE A 5 -8.722 4.295 1.013 1.00 0.00 C ATOM 68 C PHE A 5 -8.256 3.602 2.246 1.00 0.00 C ATOM 69 O PHE A 5 -7.771 2.473 2.197 1.00 0.00 O ATOM 70 CB PHE A 5 -7.882 5.526 0.632 1.00 0.00 C ATOM 71 CG PHE A 5 -6.413 5.283 0.575 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.671 5.321 1.732 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.790 5.033 -0.625 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.322 5.055 1.709 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.444 4.756 -0.666 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.721 4.780 0.503 1.00 0.00 C ATOM 0 H PHE A 5 -10.170 5.716 0.765 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.627 3.523 0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.215 5.889 -0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.078 6.320 1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.152 5.562 2.668 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.362 5.054 -1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.745 5.062 2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.961 4.523 -1.604 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.660 4.579 0.474 1.00 0.00 H new ATOM 86 N GLU A 6 -8.457 4.218 3.425 1.00 0.00 N ATOM 87 CA GLU A 6 -7.978 3.685 4.662 1.00 0.00 C ATOM 88 C GLU A 6 -8.890 2.662 5.246 1.00 0.00 C ATOM 89 O GLU A 6 -8.449 1.752 5.946 1.00 0.00 O ATOM 90 CB GLU A 6 -7.653 4.754 5.719 1.00 0.00 C ATOM 91 CG GLU A 6 -6.243 5.318 5.528 1.00 0.00 C ATOM 92 CD GLU A 6 -5.732 5.974 6.803 1.00 0.00 C ATOM 93 OE1 GLU A 6 -6.254 7.057 7.180 1.00 0.00 O ATOM 94 OE2 GLU A 6 -4.802 5.407 7.438 1.00 0.00 O ATOM 0 H GLU A 6 -8.960 5.100 3.521 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.041 3.200 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.381 5.563 5.657 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.741 4.321 6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.566 4.517 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.247 6.047 4.718 1.00 0.00 H new ATOM 101 N GLU A 7 -10.201 2.735 4.954 1.00 0.00 N ATOM 102 CA GLU A 7 -11.142 1.705 5.271 1.00 0.00 C ATOM 103 C GLU A 7 -10.819 0.422 4.585 1.00 0.00 C ATOM 104 O GLU A 7 -10.663 -0.627 5.210 1.00 0.00 O ATOM 105 CB GLU A 7 -12.548 2.217 4.913 1.00 0.00 C ATOM 106 CG GLU A 7 -13.709 1.236 5.086 1.00 0.00 C ATOM 107 CD GLU A 7 -13.880 0.743 6.516 1.00 0.00 C ATOM 108 OE1 GLU A 7 -13.896 1.572 7.464 1.00 0.00 O ATOM 109 OE2 GLU A 7 -14.010 -0.498 6.699 1.00 0.00 O ATOM 0 H GLU A 7 -10.620 3.536 4.482 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.096 1.481 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.754 3.096 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.534 2.546 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.632 1.718 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.551 0.379 4.431 1.00 0.00 H new ATOM 116 N LYS A 8 -10.658 0.440 3.250 1.00 0.00 N ATOM 117 CA LYS A 8 -10.471 -0.737 2.460 1.00 0.00 C ATOM 118 C LYS A 8 -9.057 -1.197 2.358 1.00 0.00 C ATOM 119 O LYS A 8 -8.817 -2.375 2.103 1.00 0.00 O ATOM 120 CB LYS A 8 -11.071 -0.545 1.056 1.00 0.00 C ATOM 121 CG LYS A 8 -12.528 -0.077 1.044 1.00 0.00 C ATOM 122 CD LYS A 8 -13.512 -1.021 1.738 1.00 0.00 C ATOM 123 CE LYS A 8 -14.933 -0.456 1.775 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.876 -1.409 2.402 1.00 0.00 N ATOM 0 H LYS A 8 -10.658 1.301 2.703 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.001 -1.528 2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.466 0.181 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.002 -1.488 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.585 0.900 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.843 0.057 0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.518 -1.980 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.173 -1.211 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.939 0.482 2.330 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.263 -0.229 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.831 -0.997 2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.887 -2.295 1.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.574 -1.606 3.377 1.00 0.00 H new ATOM 138 N ALA A 9 -8.043 -0.343 2.586 1.00 0.00 N ATOM 139 CA ALA A 9 -6.674 -0.758 2.565 1.00 0.00 C ATOM 140 C ALA A 9 -6.329 -1.731 3.640 1.00 0.00 C ATOM 141 O ALA A 9 -5.729 -2.787 3.453 1.00 0.00 O ATOM 142 CB ALA A 9 -5.726 0.429 2.796 1.00 0.00 C ATOM 0 H ALA A 9 -8.174 0.648 2.788 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.554 -1.213 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.694 0.080 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.875 1.171 2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.936 0.879 3.766 1.00 0.00 H new ATOM 148 N LYS A 10 -6.777 -1.361 4.853 1.00 0.00 N ATOM 149 CA LYS A 10 -6.727 -2.136 6.054 1.00 0.00 C ATOM 150 C LYS A 10 -7.486 -3.415 5.964 1.00 0.00 C ATOM 151 O LYS A 10 -7.188 -4.366 6.685 1.00 0.00 O ATOM 152 CB LYS A 10 -7.331 -1.214 7.126 1.00 0.00 C ATOM 153 CG LYS A 10 -6.391 -0.121 7.639 1.00 0.00 C ATOM 154 CD LYS A 10 -5.259 -0.628 8.534 1.00 0.00 C ATOM 155 CE LYS A 10 -4.590 0.522 9.290 1.00 0.00 C ATOM 156 NZ LYS A 10 -3.503 0.036 10.170 1.00 0.00 N ATOM 0 H LYS A 10 -7.207 -0.449 5.004 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.705 -2.445 6.275 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.224 -0.742 6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.651 -1.824 7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.957 0.398 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.976 0.612 8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.653 -1.354 9.246 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.517 -1.147 7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.187 1.242 8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.335 1.048 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.072 0.842 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.892 -0.632 10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.780 -0.444 9.596 1.00 0.00 H new ATOM 170 N ALA A 11 -8.458 -3.512 5.040 1.00 0.00 N ATOM 171 CA ALA A 11 -9.104 -4.735 4.676 1.00 0.00 C ATOM 172 C ALA A 11 -8.206 -5.576 3.836 1.00 0.00 C ATOM 173 O ALA A 11 -7.874 -6.695 4.225 1.00 0.00 O ATOM 174 CB ALA A 11 -10.441 -4.510 3.950 1.00 0.00 C ATOM 0 H ALA A 11 -8.809 -2.705 4.525 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.325 -5.256 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.885 -5.473 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.119 -3.956 4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.268 -3.941 3.037 1.00 0.00 H new ATOM 180 N VAL A 12 -7.724 -5.098 2.676 1.00 0.00 N ATOM 181 CA VAL A 12 -6.995 -5.897 1.740 1.00 0.00 C ATOM 182 C VAL A 12 -5.690 -6.403 2.253 1.00 0.00 C ATOM 183 O VAL A 12 -5.244 -7.488 1.887 1.00 0.00 O ATOM 184 CB VAL A 12 -6.864 -5.258 0.390 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.282 -5.138 -0.190 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.123 -3.909 0.418 1.00 0.00 C ATOM 0 H VAL A 12 -7.844 -4.129 2.380 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.617 -6.782 1.605 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.239 -5.882 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.234 -4.676 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.725 -6.130 -0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.894 -4.522 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.065 -3.505 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.662 -3.211 1.058 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.116 -4.055 0.808 1.00 0.00 H new ATOM 196 N ASN A 13 -5.071 -5.691 3.211 1.00 0.00 N ATOM 197 CA ASN A 13 -3.867 -6.132 3.846 1.00 0.00 C ATOM 198 C ASN A 13 -4.063 -7.207 4.858 1.00 0.00 C ATOM 199 O ASN A 13 -3.093 -7.804 5.322 1.00 0.00 O ATOM 200 CB ASN A 13 -3.155 -4.941 4.511 1.00 0.00 C ATOM 201 CG ASN A 13 -2.362 -4.129 3.498 1.00 0.00 C ATOM 202 OD1 ASN A 13 -1.145 -4.277 3.410 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.034 -3.237 2.722 1.00 0.00 N ATOM 0 H ASN A 13 -5.412 -4.792 3.551 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.259 -6.562 3.050 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.891 -4.300 4.996 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.486 -5.305 5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.528 -2.668 2.044 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.045 -3.137 2.818 1.00 0.00 H new ATOM 210 N GLU A 14 -5.314 -7.506 5.251 1.00 0.00 N ATOM 211 CA GLU A 14 -5.646 -8.390 6.325 1.00 0.00 C ATOM 212 C GLU A 14 -6.623 -9.440 5.921 1.00 0.00 C ATOM 213 O GLU A 14 -6.980 -10.341 6.677 1.00 0.00 O ATOM 214 CB GLU A 14 -6.176 -7.552 7.500 1.00 0.00 C ATOM 215 CG GLU A 14 -6.287 -8.290 8.835 1.00 0.00 C ATOM 216 CD GLU A 14 -6.590 -7.358 10.000 1.00 0.00 C ATOM 217 OE1 GLU A 14 -7.672 -6.711 10.010 1.00 0.00 O ATOM 218 OE2 GLU A 14 -5.757 -7.277 10.941 1.00 0.00 O ATOM 0 H GLU A 14 -6.136 -7.110 4.796 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.747 -8.927 6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.522 -6.690 7.634 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.160 -7.167 7.234 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.072 -9.043 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.354 -8.819 9.031 1.00 0.00 H new ATOM 225 N LEU A 15 -7.106 -9.403 4.665 1.00 0.00 N ATOM 226 CA LEU A 15 -8.132 -10.247 4.135 1.00 0.00 C ATOM 227 C LEU A 15 -7.675 -11.659 4.012 1.00 0.00 C ATOM 228 O LEU A 15 -6.481 -11.891 3.827 1.00 0.00 O ATOM 229 CB LEU A 15 -8.578 -9.659 2.786 1.00 0.00 C ATOM 230 CG LEU A 15 -10.064 -9.318 2.584 1.00 0.00 C ATOM 231 CD1 LEU A 15 -10.714 -8.540 3.739 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.224 -8.542 1.265 1.00 0.00 C ATOM 0 H LEU A 15 -6.755 -8.739 3.975 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.982 -10.275 4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.004 -8.748 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.292 -10.366 2.007 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.594 -10.270 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.761 -8.347 3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.650 -9.128 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.193 -7.593 3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.275 -8.296 1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.639 -7.624 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.872 -9.156 0.436 1.00 0.00 H new ATOM 244 N PRO A 16 -8.508 -12.653 4.109 1.00 0.00 N ATOM 245 CA PRO A 16 -8.108 -14.029 4.159 1.00 0.00 C ATOM 246 C PRO A 16 -7.676 -14.538 2.827 1.00 0.00 C ATOM 247 O PRO A 16 -7.120 -15.630 2.733 1.00 0.00 O ATOM 248 CB PRO A 16 -9.385 -14.751 4.584 1.00 0.00 C ATOM 249 CG PRO A 16 -10.520 -13.933 3.949 1.00 0.00 C ATOM 250 CD PRO A 16 -9.945 -12.508 3.934 1.00 0.00 C ATOM 0 HA PRO A 16 -7.260 -14.178 4.828 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.394 -15.782 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.479 -14.785 5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.758 -14.284 2.945 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.438 -13.993 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.175 -12.005 2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.376 -11.905 4.733 1.00 0.00 H new ATOM 258 N THR A 17 -7.923 -13.761 1.756 1.00 0.00 N ATOM 259 CA THR A 17 -7.304 -13.936 0.479 1.00 0.00 C ATOM 260 C THR A 17 -6.400 -12.755 0.388 1.00 0.00 C ATOM 261 O THR A 17 -6.712 -11.720 -0.199 1.00 0.00 O ATOM 262 CB THR A 17 -8.330 -13.971 -0.616 1.00 0.00 C ATOM 263 OG1 THR A 17 -9.169 -15.105 -0.455 1.00 0.00 O ATOM 264 CG2 THR A 17 -7.692 -14.116 -2.008 1.00 0.00 C ATOM 0 H THR A 17 -8.580 -12.981 1.781 1.00 0.00 H new ATOM 0 HA THR A 17 -6.766 -14.878 0.371 1.00 0.00 H new ATOM 0 HB THR A 17 -8.878 -13.031 -0.549 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.838 -15.122 -1.171 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.474 -14.137 -2.767 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.028 -13.271 -2.194 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.120 -15.043 -2.051 1.00 0.00 H new ATOM 272 N LYS A 18 -5.233 -12.852 1.048 1.00 0.00 N ATOM 273 CA LYS A 18 -4.204 -11.860 1.036 1.00 0.00 C ATOM 274 C LYS A 18 -3.711 -11.589 -0.344 1.00 0.00 C ATOM 275 O LYS A 18 -3.717 -12.531 -1.136 1.00 0.00 O ATOM 276 CB LYS A 18 -3.013 -12.274 1.916 1.00 0.00 C ATOM 277 CG LYS A 18 -3.348 -12.629 3.367 1.00 0.00 C ATOM 278 CD LYS A 18 -2.068 -13.025 4.105 1.00 0.00 C ATOM 279 CE LYS A 18 -2.234 -13.906 5.345 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.884 -13.179 6.458 1.00 0.00 N ATOM 0 H LYS A 18 -4.995 -13.663 1.619 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.652 -10.951 1.438 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.526 -13.133 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.288 -11.460 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.817 -11.778 3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.065 -13.449 3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.417 -13.546 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.551 -12.113 4.402 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.828 -14.784 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.257 -14.265 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.977 -13.812 7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.305 -12.356 6.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.827 -12.858 6.159 1.00 0.00 H new ATOM 294 N PRO A 19 -3.335 -10.410 -0.741 1.00 0.00 N ATOM 295 CA PRO A 19 -3.388 -10.006 -2.116 1.00 0.00 C ATOM 296 C PRO A 19 -2.427 -10.729 -2.995 1.00 0.00 C ATOM 297 O PRO A 19 -1.429 -11.249 -2.499 1.00 0.00 O ATOM 298 CB PRO A 19 -3.086 -8.509 -2.102 1.00 0.00 C ATOM 299 CG PRO A 19 -3.424 -8.055 -0.673 1.00 0.00 C ATOM 300 CD PRO A 19 -3.021 -9.296 0.140 1.00 0.00 C ATOM 0 HA PRO A 19 -4.366 -10.243 -2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.041 -8.314 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.687 -7.977 -2.839 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.860 -7.170 -0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.481 -7.813 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.962 -9.277 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.577 -9.358 1.076 1.00 0.00 H new ATOM 308 N SER A 20 -2.658 -10.807 -4.318 1.00 0.00 N ATOM 309 CA SER A 20 -1.736 -11.419 -5.223 1.00 0.00 C ATOM 310 C SER A 20 -0.528 -10.569 -5.420 1.00 0.00 C ATOM 311 O SER A 20 -0.659 -9.356 -5.583 1.00 0.00 O ATOM 312 CB SER A 20 -2.366 -11.700 -6.598 1.00 0.00 C ATOM 313 OG SER A 20 -1.530 -12.480 -7.440 1.00 0.00 O ATOM 0 H SER A 20 -3.498 -10.440 -4.766 1.00 0.00 H new ATOM 0 HA SER A 20 -1.453 -12.367 -4.766 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.316 -12.217 -6.458 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.588 -10.753 -7.091 1.00 0.00 H new ATOM 0 HG SER A 20 -1.254 -11.945 -8.214 1.00 0.00 H new ATOM 319 N THR A 21 0.689 -11.141 -5.400 1.00 0.00 N ATOM 320 CA THR A 21 1.940 -10.450 -5.328 1.00 0.00 C ATOM 321 C THR A 21 2.190 -9.390 -6.345 1.00 0.00 C ATOM 322 O THR A 21 2.758 -8.337 -6.059 1.00 0.00 O ATOM 323 CB THR A 21 3.107 -11.386 -5.231 1.00 0.00 C ATOM 324 OG1 THR A 21 4.283 -10.726 -4.785 1.00 0.00 O ATOM 325 CG2 THR A 21 3.439 -12.098 -6.554 1.00 0.00 C ATOM 0 H THR A 21 0.806 -12.154 -5.437 1.00 0.00 H new ATOM 0 HA THR A 21 1.839 -9.897 -4.394 1.00 0.00 H new ATOM 0 HB THR A 21 2.791 -12.133 -4.503 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.020 -11.370 -4.734 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.294 -12.758 -6.407 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.579 -12.684 -6.878 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.680 -11.357 -7.316 1.00 0.00 H new ATOM 333 N ASP A 22 1.738 -9.593 -7.595 1.00 0.00 N ATOM 334 CA ASP A 22 1.848 -8.682 -8.692 1.00 0.00 C ATOM 335 C ASP A 22 1.019 -7.457 -8.514 1.00 0.00 C ATOM 336 O ASP A 22 1.478 -6.339 -8.743 1.00 0.00 O ATOM 337 CB ASP A 22 1.526 -9.453 -9.984 1.00 0.00 C ATOM 338 CG ASP A 22 0.170 -10.144 -9.949 1.00 0.00 C ATOM 339 OD1 ASP A 22 -0.049 -11.066 -9.120 1.00 0.00 O ATOM 340 OD2 ASP A 22 -0.690 -9.765 -10.788 1.00 0.00 O ATOM 0 H ASP A 22 1.262 -10.456 -7.857 1.00 0.00 H new ATOM 0 HA ASP A 22 2.867 -8.300 -8.749 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.553 -8.763 -10.827 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.302 -10.199 -10.157 1.00 0.00 H new ATOM 345 N GLU A 23 -0.220 -7.624 -8.018 1.00 0.00 N ATOM 346 CA GLU A 23 -1.090 -6.570 -7.598 1.00 0.00 C ATOM 347 C GLU A 23 -0.541 -5.906 -6.382 1.00 0.00 C ATOM 348 O GLU A 23 -0.404 -4.684 -6.337 1.00 0.00 O ATOM 349 CB GLU A 23 -2.510 -7.094 -7.326 1.00 0.00 C ATOM 350 CG GLU A 23 -3.195 -7.826 -8.482 1.00 0.00 C ATOM 351 CD GLU A 23 -3.805 -6.932 -9.551 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.059 -6.282 -10.331 1.00 0.00 O ATOM 353 OE2 GLU A 23 -5.060 -6.904 -9.665 1.00 0.00 O ATOM 0 H GLU A 23 -0.638 -8.548 -7.904 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.152 -5.840 -8.405 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.468 -7.769 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.136 -6.250 -7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.466 -8.484 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.980 -8.462 -8.073 1.00 0.00 H new ATOM 360 N LEU A 24 -0.139 -6.669 -5.352 1.00 0.00 N ATOM 361 CA LEU A 24 0.412 -6.237 -4.105 1.00 0.00 C ATOM 362 C LEU A 24 1.519 -5.243 -4.177 1.00 0.00 C ATOM 363 O LEU A 24 1.561 -4.320 -3.367 1.00 0.00 O ATOM 364 CB LEU A 24 0.877 -7.477 -3.323 1.00 0.00 C ATOM 365 CG LEU A 24 0.845 -7.389 -1.788 1.00 0.00 C ATOM 366 CD1 LEU A 24 0.726 -8.831 -1.264 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.080 -6.722 -1.161 1.00 0.00 C ATOM 0 H LEU A 24 -0.207 -7.686 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.393 -5.700 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.257 -8.321 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.898 -7.706 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 24 0.003 -6.757 -1.506 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.699 -8.821 -0.174 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.190 -9.282 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.584 -9.412 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.972 -6.703 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.973 -7.287 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.172 -5.702 -1.534 1.00 0.00 H new ATOM 379 N LEU A 25 2.431 -5.345 -5.161 1.00 0.00 N ATOM 380 CA LEU A 25 3.383 -4.338 -5.515 1.00 0.00 C ATOM 381 C LEU A 25 2.822 -2.972 -5.714 1.00 0.00 C ATOM 382 O LEU A 25 3.194 -2.004 -5.053 1.00 0.00 O ATOM 383 CB LEU A 25 4.039 -4.762 -6.839 1.00 0.00 C ATOM 384 CG LEU A 25 5.544 -5.062 -6.720 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.964 -5.877 -7.954 1.00 0.00 C ATOM 386 CD2 LEU A 25 6.324 -3.742 -6.601 1.00 0.00 C ATOM 0 H LEU A 25 2.508 -6.179 -5.743 1.00 0.00 H new ATOM 0 HA LEU A 25 4.074 -4.267 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.530 -5.649 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.893 -3.972 -7.575 1.00 0.00 H new ATOM 0 HG LEU A 25 5.764 -5.645 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.029 -6.104 -7.895 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.396 -6.807 -7.986 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.766 -5.299 -8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.390 -3.955 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.145 -3.132 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.991 -3.201 -5.715 1.00 0.00 H new ATOM 398 N GLU A 26 1.863 -2.866 -6.651 1.00 0.00 N ATOM 399 CA GLU A 26 1.221 -1.643 -7.021 1.00 0.00 C ATOM 400 C GLU A 26 0.374 -1.123 -5.911 1.00 0.00 C ATOM 401 O GLU A 26 0.357 0.069 -5.608 1.00 0.00 O ATOM 402 CB GLU A 26 0.341 -1.844 -8.267 1.00 0.00 C ATOM 403 CG GLU A 26 1.056 -2.469 -9.467 1.00 0.00 C ATOM 404 CD GLU A 26 2.294 -1.702 -9.909 1.00 0.00 C ATOM 405 OE1 GLU A 26 2.218 -0.452 -10.046 1.00 0.00 O ATOM 406 OE2 GLU A 26 3.343 -2.349 -10.170 1.00 0.00 O ATOM 0 H GLU A 26 1.519 -3.671 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 26 2.006 -0.920 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.506 -2.475 -7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.065 -0.878 -8.567 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.342 -3.490 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.359 -2.529 -10.303 1.00 0.00 H new ATOM 413 N LEU A 27 -0.338 -2.044 -5.239 1.00 0.00 N ATOM 414 CA LEU A 27 -1.214 -1.793 -4.137 1.00 0.00 C ATOM 415 C LEU A 27 -0.497 -1.374 -2.899 1.00 0.00 C ATOM 416 O LEU A 27 -1.026 -0.571 -2.134 1.00 0.00 O ATOM 417 CB LEU A 27 -2.103 -3.025 -3.897 1.00 0.00 C ATOM 418 CG LEU A 27 -3.383 -3.105 -4.746 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.387 -2.014 -4.334 1.00 0.00 C ATOM 420 CD2 LEU A 27 -3.181 -3.084 -6.271 1.00 0.00 C ATOM 0 H LEU A 27 -0.298 -3.033 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.844 -0.943 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.509 -3.920 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.386 -3.045 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.781 -4.096 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.283 -2.093 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.655 -2.143 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.935 -1.032 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.150 -3.145 -6.767 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.683 -2.158 -6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.567 -3.934 -6.568 1.00 0.00 H new ATOM 432 N TYR A 28 0.741 -1.838 -2.652 1.00 0.00 N ATOM 433 CA TYR A 28 1.628 -1.355 -1.639 1.00 0.00 C ATOM 434 C TYR A 28 1.952 0.071 -1.927 1.00 0.00 C ATOM 435 O TYR A 28 1.740 0.926 -1.070 1.00 0.00 O ATOM 436 CB TYR A 28 2.924 -2.176 -1.533 1.00 0.00 C ATOM 437 CG TYR A 28 3.989 -1.640 -0.638 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.844 -0.664 -1.094 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.173 -2.129 0.633 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.842 -0.154 -0.298 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.216 -1.686 1.414 1.00 0.00 C ATOM 442 CZ TYR A 28 6.050 -0.698 0.947 1.00 0.00 C ATOM 443 OH TYR A 28 7.112 -0.242 1.756 1.00 0.00 O ATOM 0 H TYR A 28 1.148 -2.599 -3.195 1.00 0.00 H new ATOM 0 HA TYR A 28 1.121 -1.453 -0.679 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.664 -3.177 -1.190 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.343 -2.281 -2.534 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.729 -0.290 -2.100 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.491 -2.870 1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.455 0.664 -0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.379 -2.114 2.392 1.00 0.00 H new ATOM 0 HH TYR A 28 7.112 -0.734 2.604 1.00 0.00 H new ATOM 453 N ALA A 29 2.453 0.376 -3.137 1.00 0.00 N ATOM 454 CA ALA A 29 2.846 1.700 -3.509 1.00 0.00 C ATOM 455 C ALA A 29 1.782 2.713 -3.266 1.00 0.00 C ATOM 456 O ALA A 29 2.031 3.739 -2.635 1.00 0.00 O ATOM 457 CB ALA A 29 3.320 1.718 -4.971 1.00 0.00 C ATOM 0 H ALA A 29 2.588 -0.315 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 29 3.677 1.985 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.617 2.730 -5.245 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.171 1.047 -5.086 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.509 1.390 -5.621 1.00 0.00 H new ATOM 463 N LEU A 30 0.536 2.445 -3.696 1.00 0.00 N ATOM 464 CA LEU A 30 -0.596 3.275 -3.425 1.00 0.00 C ATOM 465 C LEU A 30 -0.995 3.377 -1.993 1.00 0.00 C ATOM 466 O LEU A 30 -1.260 4.466 -1.488 1.00 0.00 O ATOM 467 CB LEU A 30 -1.829 2.739 -4.172 1.00 0.00 C ATOM 468 CG LEU A 30 -2.018 3.329 -5.580 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.619 2.353 -6.699 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.497 3.720 -5.736 1.00 0.00 C ATOM 0 H LEU A 30 0.309 1.621 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.277 4.264 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.749 1.655 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.719 2.950 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.362 4.194 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.775 2.827 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.568 2.086 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.231 1.453 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.659 4.142 -6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.122 2.836 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.760 4.460 -4.980 1.00 0.00 H new ATOM 482 N TYR A 31 -1.074 2.247 -1.266 1.00 0.00 N ATOM 483 CA TYR A 31 -1.410 2.184 0.123 1.00 0.00 C ATOM 484 C TYR A 31 -0.495 3.035 0.934 1.00 0.00 C ATOM 485 O TYR A 31 -0.895 3.872 1.741 1.00 0.00 O ATOM 486 CB TYR A 31 -1.397 0.742 0.655 1.00 0.00 C ATOM 487 CG TYR A 31 -1.586 0.681 2.133 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.624 1.347 2.742 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.605 0.115 2.911 1.00 0.00 C ATOM 490 CE1 TYR A 31 -2.731 1.376 4.112 1.00 0.00 C ATOM 491 CE2 TYR A 31 -0.666 0.204 4.282 1.00 0.00 C ATOM 492 CZ TYR A 31 -1.727 0.840 4.884 1.00 0.00 C ATOM 493 OH TYR A 31 -1.734 1.059 6.278 1.00 0.00 O ATOM 0 H TYR A 31 -0.893 1.328 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.426 2.567 0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.186 0.170 0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.451 0.269 0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.363 1.852 2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.219 -0.403 2.443 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.599 1.817 4.580 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.119 -0.226 4.886 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.960 0.615 6.683 1.00 0.00 H new ATOM 503 N LYS A 32 0.824 2.861 0.732 1.00 0.00 N ATOM 504 CA LYS A 32 1.835 3.661 1.350 1.00 0.00 C ATOM 505 C LYS A 32 1.781 5.089 0.929 1.00 0.00 C ATOM 506 O LYS A 32 1.936 5.963 1.780 1.00 0.00 O ATOM 507 CB LYS A 32 3.198 2.981 1.133 1.00 0.00 C ATOM 508 CG LYS A 32 3.307 1.558 1.683 1.00 0.00 C ATOM 509 CD LYS A 32 3.039 1.358 3.176 1.00 0.00 C ATOM 510 CE LYS A 32 3.848 2.313 4.056 1.00 0.00 C ATOM 511 NZ LYS A 32 3.869 1.869 5.468 1.00 0.00 N ATOM 0 H LYS A 32 1.199 2.138 0.117 1.00 0.00 H new ATOM 0 HA LYS A 32 1.656 3.715 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.409 2.958 0.064 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.971 3.594 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.611 0.928 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.310 1.190 1.469 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.977 1.502 3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.277 0.330 3.449 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.869 2.378 3.680 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.421 3.314 3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.426 2.540 6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.896 1.831 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.299 0.924 5.528 1.00 0.00 H new ATOM 525 N GLN A 33 1.461 5.402 -0.339 1.00 0.00 N ATOM 526 CA GLN A 33 1.311 6.734 -0.836 1.00 0.00 C ATOM 527 C GLN A 33 0.365 7.571 -0.045 1.00 0.00 C ATOM 528 O GLN A 33 0.753 8.609 0.489 1.00 0.00 O ATOM 529 CB GLN A 33 0.797 6.820 -2.283 1.00 0.00 C ATOM 530 CG GLN A 33 1.853 6.734 -3.388 1.00 0.00 C ATOM 531 CD GLN A 33 1.227 6.249 -4.688 1.00 0.00 C ATOM 532 OE1 GLN A 33 1.759 5.131 -5.250 1.00 0.00 O flip ATOM 533 NE2 GLN A 33 0.270 6.809 -5.221 1.00 0.00 N flip ATOM 0 H GLN A 33 1.299 4.691 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 33 2.333 7.106 -0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.075 6.018 -2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.258 7.760 -2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.309 7.712 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.650 6.054 -3.086 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.129 7.648 -4.800 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.124 6.435 -6.084 1.00 0.00 H new ATOM 542 N ALA A 34 -0.915 7.170 0.064 1.00 0.00 N ATOM 543 CA ALA A 34 -1.875 7.972 0.756 1.00 0.00 C ATOM 544 C ALA A 34 -2.038 7.605 2.191 1.00 0.00 C ATOM 545 O ALA A 34 -2.770 8.280 2.915 1.00 0.00 O ATOM 546 CB ALA A 34 -3.220 8.131 0.027 1.00 0.00 C ATOM 0 H ALA A 34 -1.282 6.300 -0.322 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.433 8.968 0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.886 8.754 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.055 8.602 -0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.673 7.150 -0.118 1.00 0.00 H new ATOM 552 N THR A 35 -1.316 6.596 2.709 1.00 0.00 N ATOM 553 CA THR A 35 -1.155 6.468 4.124 1.00 0.00 C ATOM 554 C THR A 35 -0.297 7.555 4.677 1.00 0.00 C ATOM 555 O THR A 35 -0.761 8.367 5.476 1.00 0.00 O ATOM 556 CB THR A 35 -0.628 5.133 4.561 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.615 4.146 4.301 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.421 5.093 6.084 1.00 0.00 C ATOM 0 H THR A 35 -0.849 5.877 2.157 1.00 0.00 H new ATOM 0 HA THR A 35 -2.163 6.556 4.529 1.00 0.00 H new ATOM 0 HB THR A 35 0.308 4.960 4.031 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.485 3.783 3.400 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.039 4.114 6.374 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.294 5.863 6.374 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.372 5.274 6.585 1.00 0.00 H new ATOM 566 N VAL A 36 0.992 7.624 4.299 1.00 0.00 N ATOM 567 CA VAL A 36 1.890 8.616 4.804 1.00 0.00 C ATOM 568 C VAL A 36 1.892 9.888 4.029 1.00 0.00 C ATOM 569 O VAL A 36 1.881 10.980 4.596 1.00 0.00 O ATOM 570 CB VAL A 36 3.288 8.113 5.014 1.00 0.00 C ATOM 571 CG1 VAL A 36 3.339 7.344 6.344 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.737 7.181 3.877 1.00 0.00 C ATOM 0 H VAL A 36 1.418 6.981 3.632 1.00 0.00 H new ATOM 0 HA VAL A 36 1.481 8.850 5.787 1.00 0.00 H new ATOM 0 HB VAL A 36 3.962 8.970 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.350 6.972 6.511 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.058 8.010 7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.645 6.504 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.754 6.839 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.069 6.321 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.707 7.721 2.931 1.00 0.00 H new ATOM 582 N GLY A 37 1.935 9.826 2.686 1.00 0.00 N ATOM 583 CA GLY A 37 2.033 10.963 1.824 1.00 0.00 C ATOM 584 C GLY A 37 3.363 11.105 1.170 1.00 0.00 C ATOM 585 O GLY A 37 3.447 11.628 0.059 1.00 0.00 O ATOM 0 H GLY A 37 1.900 8.942 2.178 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.265 10.891 1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.823 11.864 2.400 1.00 0.00 H new ATOM 589 N ASP A 38 4.440 10.670 1.850 1.00 0.00 N ATOM 590 CA ASP A 38 5.789 10.810 1.399 1.00 0.00 C ATOM 591 C ASP A 38 6.500 9.516 1.602 1.00 0.00 C ATOM 592 O ASP A 38 6.054 8.673 2.380 1.00 0.00 O ATOM 593 CB ASP A 38 6.576 11.848 2.217 1.00 0.00 C ATOM 594 CG ASP A 38 6.070 13.270 2.015 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.024 13.638 2.614 1.00 0.00 O ATOM 596 OD2 ASP A 38 6.763 14.053 1.313 1.00 0.00 O ATOM 0 H ASP A 38 4.366 10.201 2.753 1.00 0.00 H new ATOM 0 HA ASP A 38 5.741 11.119 0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.514 11.592 3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.629 11.800 1.939 1.00 0.00 H new ATOM 601 N ASN A 39 7.674 9.327 0.972 1.00 0.00 N ATOM 602 CA ASN A 39 8.676 8.396 1.390 1.00 0.00 C ATOM 603 C ASN A 39 9.030 8.442 2.837 1.00 0.00 C ATOM 604 O ASN A 39 9.726 9.331 3.326 1.00 0.00 O ATOM 605 CB ASN A 39 9.959 8.452 0.545 1.00 0.00 C ATOM 606 CG ASN A 39 10.590 9.833 0.447 1.00 0.00 C ATOM 607 OD1 ASN A 39 10.031 10.766 -0.127 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.829 10.006 0.981 1.00 0.00 N ATOM 0 H ASN A 39 7.936 9.846 0.134 1.00 0.00 H new ATOM 0 HA ASN A 39 8.181 7.440 1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.689 7.762 0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.732 8.098 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.295 10.910 0.906 1.00 0.00 H new ATOM 0 HD22 ASN A 39 12.292 9.232 1.457 1.00 0.00 H new ATOM 615 N ASP A 40 8.524 7.456 3.598 1.00 0.00 N ATOM 616 CA ASP A 40 8.668 7.369 5.018 1.00 0.00 C ATOM 617 C ASP A 40 9.864 6.560 5.386 1.00 0.00 C ATOM 618 O ASP A 40 10.928 7.089 5.702 1.00 0.00 O ATOM 619 CB ASP A 40 7.341 6.819 5.564 1.00 0.00 C ATOM 620 CG ASP A 40 7.308 6.648 7.077 1.00 0.00 C ATOM 621 OD1 ASP A 40 8.027 7.377 7.812 1.00 0.00 O ATOM 622 OD2 ASP A 40 6.591 5.723 7.543 1.00 0.00 O ATOM 0 H ASP A 40 7.989 6.682 3.204 1.00 0.00 H new ATOM 0 HA ASP A 40 8.855 8.343 5.471 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.534 7.490 5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.141 5.855 5.097 1.00 0.00 H new ATOM 627 N LYS A 41 9.729 5.222 5.371 1.00 0.00 N ATOM 628 CA LYS A 41 10.685 4.275 5.856 1.00 0.00 C ATOM 629 C LYS A 41 11.748 3.993 4.851 1.00 0.00 C ATOM 630 O LYS A 41 11.735 2.958 4.187 1.00 0.00 O ATOM 631 CB LYS A 41 9.998 2.932 6.159 1.00 0.00 C ATOM 632 CG LYS A 41 8.924 2.934 7.248 1.00 0.00 C ATOM 633 CD LYS A 41 9.479 3.112 8.663 1.00 0.00 C ATOM 634 CE LYS A 41 9.418 4.543 9.203 1.00 0.00 C ATOM 635 NZ LYS A 41 8.045 4.888 9.633 1.00 0.00 N ATOM 0 H LYS A 41 8.895 4.772 4.994 1.00 0.00 H new ATOM 0 HA LYS A 41 11.125 4.714 6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.545 2.567 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.767 2.214 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.214 3.735 7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.370 1.997 7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.926 2.460 9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 41 10.517 2.778 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.104 4.648 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.748 5.241 8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.039 5.844 10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.407 4.858 8.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.723 4.204 10.347 1.00 0.00 H new ATOM 649 N GLU A 42 12.775 4.856 4.748 1.00 0.00 N ATOM 650 CA GLU A 42 13.871 4.656 3.852 1.00 0.00 C ATOM 651 C GLU A 42 14.878 3.749 4.472 1.00 0.00 C ATOM 652 O GLU A 42 16.013 4.099 4.789 1.00 0.00 O ATOM 653 CB GLU A 42 14.463 5.997 3.388 1.00 0.00 C ATOM 654 CG GLU A 42 15.449 5.881 2.225 1.00 0.00 C ATOM 655 CD GLU A 42 16.088 7.213 1.855 1.00 0.00 C ATOM 656 OE1 GLU A 42 15.375 8.130 1.369 1.00 0.00 O ATOM 657 OE2 GLU A 42 17.325 7.353 2.054 1.00 0.00 O ATOM 0 H GLU A 42 12.845 5.711 5.299 1.00 0.00 H new ATOM 0 HA GLU A 42 13.512 4.164 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.648 6.658 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 42 14.968 6.469 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.231 5.169 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.931 5.478 1.355 1.00 0.00 H new ATOM 664 N LYS A 43 14.428 2.500 4.688 1.00 0.00 N ATOM 665 CA LYS A 43 15.191 1.368 5.112 1.00 0.00 C ATOM 666 C LYS A 43 14.427 0.147 4.733 1.00 0.00 C ATOM 667 O LYS A 43 13.932 -0.550 5.618 1.00 0.00 O ATOM 668 CB LYS A 43 15.446 1.428 6.629 1.00 0.00 C ATOM 669 CG LYS A 43 16.580 0.549 7.160 1.00 0.00 C ATOM 670 CD LYS A 43 16.607 0.520 8.689 1.00 0.00 C ATOM 671 CE LYS A 43 17.994 0.330 9.305 1.00 0.00 C ATOM 672 NZ LYS A 43 17.907 0.267 10.782 1.00 0.00 N ATOM 0 H LYS A 43 13.445 2.264 4.554 1.00 0.00 H new ATOM 0 HA LYS A 43 16.169 1.356 4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 43 15.659 2.462 6.900 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.526 1.147 7.142 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.462 -0.466 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 43 17.534 0.921 6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.184 1.452 9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.959 -0.285 9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 43 18.445 -0.586 8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.645 1.153 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.859 0.138 11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.497 1.152 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.304 -0.533 11.060 1.00 0.00 H new ATOM 686 N PRO A 44 14.239 -0.234 3.503 1.00 0.00 N ATOM 687 CA PRO A 44 13.923 -1.595 3.183 1.00 0.00 C ATOM 688 C PRO A 44 15.168 -2.397 3.351 1.00 0.00 C ATOM 689 O PRO A 44 16.256 -1.832 3.263 1.00 0.00 O ATOM 690 CB PRO A 44 13.466 -1.513 1.728 1.00 0.00 C ATOM 691 CG PRO A 44 14.351 -0.409 1.131 1.00 0.00 C ATOM 692 CD PRO A 44 14.462 0.570 2.312 1.00 0.00 C ATOM 0 HA PRO A 44 13.160 -2.064 3.805 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.605 -2.462 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 44 12.408 -1.262 1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.325 -0.788 0.820 1.00 0.00 H new ATOM 0 HG3 PRO A 44 13.894 0.054 0.256 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.442 1.046 2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.723 1.367 2.232 1.00 0.00 H new ATOM 700 N GLY A 45 15.123 -3.707 3.654 1.00 0.00 N ATOM 701 CA GLY A 45 16.323 -4.382 4.040 1.00 0.00 C ATOM 702 C GLY A 45 17.238 -4.729 2.916 1.00 0.00 C ATOM 703 O GLY A 45 17.088 -4.278 1.782 1.00 0.00 O ATOM 0 H GLY A 45 14.283 -4.285 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.864 -3.754 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.054 -5.298 4.566 1.00 0.00 H new ATOM 707 N ILE A 46 18.275 -5.538 3.201 1.00 0.00 N ATOM 708 CA ILE A 46 19.418 -5.665 2.352 1.00 0.00 C ATOM 709 C ILE A 46 19.323 -6.933 1.576 1.00 0.00 C ATOM 710 O ILE A 46 19.443 -6.968 0.351 1.00 0.00 O ATOM 711 CB ILE A 46 20.717 -5.505 3.084 1.00 0.00 C ATOM 712 CG1 ILE A 46 21.027 -6.586 4.133 1.00 0.00 C ATOM 713 CG2 ILE A 46 20.700 -4.112 3.735 1.00 0.00 C ATOM 714 CD1 ILE A 46 22.392 -6.426 4.803 1.00 0.00 C ATOM 0 H ILE A 46 18.319 -6.116 4.040 1.00 0.00 H new ATOM 0 HA ILE A 46 19.414 -4.837 1.643 1.00 0.00 H new ATOM 0 HB ILE A 46 21.517 -5.619 2.353 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.252 -6.567 4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 46 20.980 -7.565 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 46 21.631 -3.954 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 46 20.598 -3.350 2.962 1.00 0.00 H new ATOM 0 HG23 ILE A 46 19.859 -4.043 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.537 -7.226 5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 46 23.176 -6.476 4.048 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.438 -5.462 5.310 1.00 0.00 H new ATOM 726 N PHE A 47 19.000 -8.026 2.290 1.00 0.00 N ATOM 727 CA PHE A 47 18.607 -9.302 1.778 1.00 0.00 C ATOM 728 C PHE A 47 17.145 -9.305 1.490 1.00 0.00 C ATOM 729 O PHE A 47 16.624 -10.245 0.892 1.00 0.00 O ATOM 730 CB PHE A 47 19.003 -10.420 2.757 1.00 0.00 C ATOM 731 CG PHE A 47 18.755 -10.073 4.185 1.00 0.00 C ATOM 732 CD1 PHE A 47 17.483 -10.007 4.703 1.00 0.00 C ATOM 733 CD2 PHE A 47 19.818 -9.757 4.998 1.00 0.00 C ATOM 734 CE1 PHE A 47 17.271 -9.585 5.994 1.00 0.00 C ATOM 735 CE2 PHE A 47 19.619 -9.332 6.290 1.00 0.00 C ATOM 736 CZ PHE A 47 18.340 -9.234 6.784 1.00 0.00 C ATOM 0 H PHE A 47 19.016 -8.014 3.310 1.00 0.00 H new ATOM 0 HA PHE A 47 19.131 -9.493 0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 47 18.447 -11.324 2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 47 20.060 -10.650 2.625 1.00 0.00 H new ATOM 0 HD1 PHE A 47 16.641 -10.290 4.089 1.00 0.00 H new ATOM 0 HD2 PHE A 47 20.824 -9.844 4.616 1.00 0.00 H new ATOM 0 HE1 PHE A 47 16.267 -9.529 6.387 1.00 0.00 H new ATOM 0 HE2 PHE A 47 20.463 -9.076 6.914 1.00 0.00 H new ATOM 0 HZ PHE A 47 18.175 -8.882 7.792 1.00 0.00 H new ATOM 746 N ASN A 48 16.423 -8.240 1.881 1.00 0.00 N ATOM 747 CA ASN A 48 15.020 -8.084 1.655 1.00 0.00 C ATOM 748 C ASN A 48 14.690 -7.701 0.254 1.00 0.00 C ATOM 749 O ASN A 48 14.239 -6.590 -0.024 1.00 0.00 O ATOM 750 CB ASN A 48 14.349 -7.100 2.629 1.00 0.00 C ATOM 751 CG ASN A 48 14.292 -7.715 4.020 1.00 0.00 C ATOM 752 OD1 ASN A 48 15.103 -7.417 4.895 1.00 0.00 O ATOM 753 ND2 ASN A 48 13.299 -8.614 4.258 1.00 0.00 N ATOM 0 H ASN A 48 16.837 -7.451 2.378 1.00 0.00 H new ATOM 0 HA ASN A 48 14.612 -9.077 1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.907 -6.164 2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.343 -6.861 2.285 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.218 -9.053 5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.636 -8.848 3.520 1.00 0.00 H new ATOM 760 N MET A 49 14.875 -8.647 -0.684 1.00 0.00 N ATOM 761 CA MET A 49 14.648 -8.521 -2.090 1.00 0.00 C ATOM 762 C MET A 49 13.251 -8.144 -2.446 1.00 0.00 C ATOM 763 O MET A 49 13.037 -7.388 -3.393 1.00 0.00 O ATOM 764 CB MET A 49 15.067 -9.817 -2.807 1.00 0.00 C ATOM 765 CG MET A 49 14.331 -11.082 -2.364 1.00 0.00 C ATOM 766 SD MET A 49 14.914 -12.591 -3.194 1.00 0.00 S ATOM 767 CE MET A 49 13.734 -13.651 -2.312 1.00 0.00 C ATOM 0 H MET A 49 15.212 -9.577 -0.436 1.00 0.00 H new ATOM 0 HA MET A 49 15.268 -7.692 -2.431 1.00 0.00 H new ATOM 0 HB2 MET A 49 14.914 -9.685 -3.878 1.00 0.00 H new ATOM 0 HB3 MET A 49 16.136 -9.967 -2.654 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.447 -11.202 -1.287 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.265 -10.959 -2.558 1.00 0.00 H new ATOM 0 HE1 MET A 49 13.864 -14.685 -2.632 1.00 0.00 H new ATOM 0 HE2 MET A 49 13.911 -13.578 -1.239 1.00 0.00 H new ATOM 0 HE3 MET A 49 12.717 -13.327 -2.534 1.00 0.00 H new ATOM 777 N LYS A 50 12.261 -8.607 -1.663 1.00 0.00 N ATOM 778 CA LYS A 50 10.878 -8.267 -1.798 1.00 0.00 C ATOM 779 C LYS A 50 10.631 -6.830 -1.491 1.00 0.00 C ATOM 780 O LYS A 50 10.230 -6.063 -2.366 1.00 0.00 O ATOM 781 CB LYS A 50 10.000 -9.183 -0.930 1.00 0.00 C ATOM 782 CG LYS A 50 9.994 -10.634 -1.415 1.00 0.00 C ATOM 783 CD LYS A 50 9.426 -11.650 -0.423 1.00 0.00 C ATOM 784 CE LYS A 50 7.990 -11.377 0.030 1.00 0.00 C ATOM 785 NZ LYS A 50 7.447 -12.531 0.781 1.00 0.00 N ATOM 0 H LYS A 50 12.435 -9.254 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 50 10.601 -8.425 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.356 -9.151 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.979 -8.802 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.417 -10.689 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.016 -10.922 -1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.466 -12.640 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.070 -11.676 0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.965 -10.485 0.657 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.362 -11.174 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.472 -12.324 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.452 -13.374 0.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.035 -12.707 1.621 1.00 0.00 H new ATOM 799 N ASP A 51 10.901 -6.380 -0.254 1.00 0.00 N ATOM 800 CA ASP A 51 10.725 -5.030 0.187 1.00 0.00 C ATOM 801 C ASP A 51 11.457 -4.008 -0.612 1.00 0.00 C ATOM 802 O ASP A 51 10.960 -2.899 -0.804 1.00 0.00 O ATOM 803 CB ASP A 51 11.091 -4.872 1.672 1.00 0.00 C ATOM 804 CG ASP A 51 10.044 -5.576 2.523 1.00 0.00 C ATOM 805 OD1 ASP A 51 9.986 -6.835 2.526 1.00 0.00 O ATOM 806 OD2 ASP A 51 9.246 -4.868 3.193 1.00 0.00 O ATOM 0 H ASP A 51 11.262 -6.991 0.479 1.00 0.00 H new ATOM 0 HA ASP A 51 9.663 -4.838 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.077 -5.296 1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 51 11.141 -3.816 1.936 1.00 0.00 H new ATOM 811 N ARG A 52 12.638 -4.343 -1.160 1.00 0.00 N ATOM 812 CA ARG A 52 13.335 -3.545 -2.122 1.00 0.00 C ATOM 813 C ARG A 52 12.539 -3.100 -3.301 1.00 0.00 C ATOM 814 O ARG A 52 12.508 -1.907 -3.594 1.00 0.00 O ATOM 815 CB ARG A 52 14.616 -4.262 -2.576 1.00 0.00 C ATOM 816 CG ARG A 52 15.743 -4.147 -1.547 1.00 0.00 C ATOM 817 CD ARG A 52 16.482 -2.811 -1.637 1.00 0.00 C ATOM 818 NE ARG A 52 17.306 -2.695 -0.401 1.00 0.00 N ATOM 819 CZ ARG A 52 18.352 -1.838 -0.226 1.00 0.00 C ATOM 820 NH1 ARG A 52 18.816 -1.023 -1.218 1.00 0.00 N ATOM 821 NH2 ARG A 52 18.938 -1.796 1.006 1.00 0.00 N ATOM 0 H ARG A 52 13.128 -5.206 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 52 13.574 -2.621 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.396 -5.315 -2.755 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.949 -3.840 -3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.330 -4.263 -0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 52 16.452 -4.962 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.111 -2.776 -2.526 1.00 0.00 H new ATOM 0 HD3 ARG A 52 15.777 -1.983 -1.712 1.00 0.00 H new ATOM 0 HE ARG A 52 17.068 -3.308 0.379 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.377 -1.039 -2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.602 -0.398 -1.039 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.591 -2.393 1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.723 -1.168 1.176 1.00 0.00 H new ATOM 835 N TYR A 53 11.829 -3.994 -4.011 1.00 0.00 N ATOM 836 CA TYR A 53 11.012 -3.594 -5.115 1.00 0.00 C ATOM 837 C TYR A 53 9.752 -2.905 -4.716 1.00 0.00 C ATOM 838 O TYR A 53 9.358 -1.934 -5.361 1.00 0.00 O ATOM 839 CB TYR A 53 10.795 -4.670 -6.192 1.00 0.00 C ATOM 840 CG TYR A 53 10.299 -6.003 -5.748 1.00 0.00 C ATOM 841 CD1 TYR A 53 8.988 -6.203 -5.385 1.00 0.00 C ATOM 842 CD2 TYR A 53 11.130 -7.094 -5.843 1.00 0.00 C ATOM 843 CE1 TYR A 53 8.514 -7.467 -5.119 1.00 0.00 C ATOM 844 CE2 TYR A 53 10.670 -8.360 -5.569 1.00 0.00 C ATOM 845 CZ TYR A 53 9.357 -8.550 -5.204 1.00 0.00 C ATOM 846 OH TYR A 53 8.881 -9.845 -4.909 1.00 0.00 O ATOM 0 H TYR A 53 11.820 -4.996 -3.821 1.00 0.00 H new ATOM 0 HA TYR A 53 11.620 -2.837 -5.611 1.00 0.00 H new ATOM 0 HB2 TYR A 53 10.089 -4.276 -6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 53 11.741 -4.820 -6.712 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.321 -5.357 -5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 53 12.160 -6.954 -6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 53 7.479 -7.609 -4.843 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.339 -9.205 -5.640 1.00 0.00 H new ATOM 0 HH TYR A 53 9.607 -10.494 -5.020 1.00 0.00 H new ATOM 856 N LYS A 54 9.106 -3.312 -3.609 1.00 0.00 N ATOM 857 CA LYS A 54 7.990 -2.637 -3.022 1.00 0.00 C ATOM 858 C LYS A 54 8.260 -1.197 -2.754 1.00 0.00 C ATOM 859 O LYS A 54 7.507 -0.307 -3.147 1.00 0.00 O ATOM 860 CB LYS A 54 7.574 -3.257 -1.677 1.00 0.00 C ATOM 861 CG LYS A 54 7.277 -4.758 -1.647 1.00 0.00 C ATOM 862 CD LYS A 54 5.986 -5.192 -2.343 1.00 0.00 C ATOM 863 CE LYS A 54 5.753 -6.704 -2.301 1.00 0.00 C ATOM 864 NZ LYS A 54 5.692 -7.208 -0.911 1.00 0.00 N ATOM 0 H LYS A 54 9.375 -4.153 -3.098 1.00 0.00 H new ATOM 0 HA LYS A 54 7.196 -2.743 -3.761 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.367 -3.058 -0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.685 -2.732 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.112 -5.284 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.234 -5.081 -0.607 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.141 -4.688 -1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.014 -4.865 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.823 -6.944 -2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.555 -7.211 -2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.367 -8.196 -0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.637 -7.156 -0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.028 -6.627 -0.360 1.00 0.00 H new ATOM 878 N TRP A 55 9.392 -0.908 -2.087 1.00 0.00 N ATOM 879 CA TRP A 55 9.779 0.413 -1.700 1.00 0.00 C ATOM 880 C TRP A 55 10.247 1.250 -2.842 1.00 0.00 C ATOM 881 O TRP A 55 9.976 2.450 -2.880 1.00 0.00 O ATOM 882 CB TRP A 55 10.798 0.352 -0.550 1.00 0.00 C ATOM 883 CG TRP A 55 10.730 1.544 0.373 1.00 0.00 C ATOM 884 CD1 TRP A 55 9.913 1.743 1.448 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.442 2.781 0.179 1.00 0.00 C ATOM 886 NE1 TRP A 55 9.971 3.051 1.851 1.00 0.00 N ATOM 887 CE2 TRP A 55 10.933 3.694 1.109 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.421 3.145 -0.704 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.393 4.982 1.153 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.890 4.436 -0.631 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.380 5.344 0.266 1.00 0.00 C ATOM 0 H TRP A 55 10.064 -1.623 -1.806 1.00 0.00 H new ATOM 0 HA TRP A 55 8.887 0.922 -1.335 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.629 -0.556 0.028 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.802 0.282 -0.967 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.308 0.979 1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.397 3.476 2.579 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.810 2.446 -1.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 10.994 5.692 1.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.682 4.745 -1.298 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.759 6.355 0.274 1.00 0.00 H new ATOM 902 N GLU A 56 10.909 0.677 -3.863 1.00 0.00 N ATOM 903 CA GLU A 56 11.376 1.402 -5.004 1.00 0.00 C ATOM 904 C GLU A 56 10.253 1.864 -5.867 1.00 0.00 C ATOM 905 O GLU A 56 10.252 2.990 -6.364 1.00 0.00 O ATOM 906 CB GLU A 56 12.376 0.611 -5.863 1.00 0.00 C ATOM 907 CG GLU A 56 13.135 1.507 -6.843 1.00 0.00 C ATOM 908 CD GLU A 56 14.082 0.774 -7.785 1.00 0.00 C ATOM 909 OE1 GLU A 56 13.585 0.018 -8.661 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.317 1.003 -7.701 1.00 0.00 O ATOM 0 H GLU A 56 11.126 -0.319 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 56 11.898 2.265 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.088 0.103 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.844 -0.161 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.411 2.062 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.708 2.239 -6.274 1.00 0.00 H new ATOM 917 N ALA A 57 9.214 1.023 -6.012 1.00 0.00 N ATOM 918 CA ALA A 57 8.027 1.307 -6.757 1.00 0.00 C ATOM 919 C ALA A 57 7.156 2.322 -6.099 1.00 0.00 C ATOM 920 O ALA A 57 6.297 2.944 -6.721 1.00 0.00 O ATOM 921 CB ALA A 57 7.230 0.006 -6.953 1.00 0.00 C ATOM 0 H ALA A 57 9.202 0.096 -5.587 1.00 0.00 H new ATOM 0 HA ALA A 57 8.339 1.724 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.324 0.217 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.839 -0.716 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.961 -0.406 -5.980 1.00 0.00 H new ATOM 927 N TRP A 58 7.372 2.551 -4.791 1.00 0.00 N ATOM 928 CA TRP A 58 6.695 3.521 -3.988 1.00 0.00 C ATOM 929 C TRP A 58 7.429 4.816 -4.065 1.00 0.00 C ATOM 930 O TRP A 58 6.833 5.872 -4.278 1.00 0.00 O ATOM 931 CB TRP A 58 6.562 3.019 -2.541 1.00 0.00 C ATOM 932 CG TRP A 58 5.876 3.976 -1.595 1.00 0.00 C ATOM 933 CD1 TRP A 58 4.974 4.965 -1.864 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.171 4.067 -0.188 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.770 5.744 -0.755 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.509 5.210 0.275 1.00 0.00 C ATOM 937 CE3 TRP A 58 6.924 3.284 0.644 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.629 5.586 1.585 1.00 0.00 C ATOM 939 CZ3 TRP A 58 6.929 3.609 1.979 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.313 4.751 2.437 1.00 0.00 C ATOM 0 H TRP A 58 8.065 2.023 -4.261 1.00 0.00 H new ATOM 0 HA TRP A 58 5.684 3.678 -4.365 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.010 2.079 -2.547 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.558 2.801 -2.155 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.489 5.113 -2.818 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.176 6.572 -0.703 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.491 2.445 0.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.199 6.511 1.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.425 2.956 2.682 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.368 4.997 3.487 1.00 0.00 H new ATOM 951 N GLU A 59 8.768 4.783 -3.951 1.00 0.00 N ATOM 952 CA GLU A 59 9.681 5.878 -4.073 1.00 0.00 C ATOM 953 C GLU A 59 9.591 6.590 -5.380 1.00 0.00 C ATOM 954 O GLU A 59 10.006 7.736 -5.539 1.00 0.00 O ATOM 955 CB GLU A 59 11.123 5.415 -3.812 1.00 0.00 C ATOM 956 CG GLU A 59 12.150 6.536 -3.643 1.00 0.00 C ATOM 957 CD GLU A 59 13.596 6.069 -3.718 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.950 5.368 -4.703 1.00 0.00 O ATOM 959 OE2 GLU A 59 14.417 6.456 -2.844 1.00 0.00 O ATOM 0 H GLU A 59 9.255 3.909 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 59 9.387 6.600 -3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.132 4.798 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.438 4.778 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.982 7.288 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.986 7.023 -2.682 1.00 0.00 H new ATOM 966 N ASN A 60 8.969 5.992 -6.411 1.00 0.00 N ATOM 967 CA ASN A 60 8.655 6.668 -7.632 1.00 0.00 C ATOM 968 C ASN A 60 7.629 7.739 -7.491 1.00 0.00 C ATOM 969 O ASN A 60 7.597 8.680 -8.281 1.00 0.00 O ATOM 970 CB ASN A 60 8.238 5.624 -8.681 1.00 0.00 C ATOM 971 CG ASN A 60 8.701 6.033 -10.071 1.00 0.00 C ATOM 972 OD1 ASN A 60 9.853 5.810 -10.441 1.00 0.00 O ATOM 973 ND2 ASN A 60 7.806 6.672 -10.873 1.00 0.00 N ATOM 0 H ASN A 60 8.677 5.015 -6.396 1.00 0.00 H new ATOM 0 HA ASN A 60 9.554 7.193 -7.955 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.663 4.654 -8.423 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.154 5.509 -8.674 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.084 6.978 -11.805 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.857 6.844 -10.542 1.00 0.00 H new ATOM 980 N LEU A 61 6.734 7.658 -6.490 1.00 0.00 N ATOM 981 CA LEU A 61 5.648 8.569 -6.301 1.00 0.00 C ATOM 982 C LEU A 61 5.762 9.312 -5.014 1.00 0.00 C ATOM 983 O LEU A 61 4.823 10.008 -4.630 1.00 0.00 O ATOM 984 CB LEU A 61 4.249 7.941 -6.410 1.00 0.00 C ATOM 985 CG LEU A 61 4.131 6.909 -7.544 1.00 0.00 C ATOM 986 CD1 LEU A 61 4.515 5.529 -6.981 1.00 0.00 C ATOM 987 CD2 LEU A 61 2.724 6.888 -8.161 1.00 0.00 C ATOM 0 H LEU A 61 6.769 6.925 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 61 5.742 9.262 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.999 7.461 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.515 8.731 -6.570 1.00 0.00 H new ATOM 0 HG LEU A 61 4.809 7.184 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.438 4.780 -7.769 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.539 5.560 -6.608 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.840 5.268 -6.166 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.687 6.145 -8.957 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.994 6.633 -7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.492 7.871 -8.571 1.00 0.00 H new ATOM 999 N LYS A 62 6.929 9.197 -4.355 1.00 0.00 N ATOM 1000 CA LYS A 62 7.407 9.604 -3.071 1.00 0.00 C ATOM 1001 C LYS A 62 6.974 10.857 -2.390 1.00 0.00 C ATOM 1002 O LYS A 62 7.434 11.142 -1.285 1.00 0.00 O ATOM 1003 CB LYS A 62 8.943 9.637 -3.138 1.00 0.00 C ATOM 1004 CG LYS A 62 9.574 10.429 -4.287 1.00 0.00 C ATOM 1005 CD LYS A 62 9.382 11.946 -4.328 1.00 0.00 C ATOM 1006 CE LYS A 62 10.265 12.773 -3.391 1.00 0.00 C ATOM 1007 NZ LYS A 62 9.820 12.758 -1.979 1.00 0.00 N ATOM 0 H LYS A 62 7.688 8.715 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 62 6.923 8.856 -2.443 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.314 10.049 -2.199 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.301 8.609 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.646 10.232 -4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.186 10.022 -5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.558 12.284 -5.349 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.340 12.164 -4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.287 12.396 -3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.287 13.804 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.201 13.591 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.781 12.779 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.165 11.894 -1.515 1.00 0.00 H new ATOM 1021 N GLY A 63 6.110 11.698 -2.984 1.00 0.00 N ATOM 1022 CA GLY A 63 5.576 12.834 -2.299 1.00 0.00 C ATOM 1023 C GLY A 63 4.447 13.452 -3.049 1.00 0.00 C ATOM 1024 O GLY A 63 3.947 14.506 -2.659 1.00 0.00 O ATOM 0 H GLY A 63 5.780 11.591 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.233 12.533 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.363 13.574 -2.153 1.00 0.00 H new ATOM 1028 N LYS A 64 4.018 12.839 -4.168 1.00 0.00 N ATOM 1029 CA LYS A 64 3.099 13.508 -5.036 1.00 0.00 C ATOM 1030 C LYS A 64 1.762 12.870 -4.878 1.00 0.00 C ATOM 1031 O LYS A 64 0.743 13.494 -4.586 1.00 0.00 O ATOM 1032 CB LYS A 64 3.546 13.380 -6.501 1.00 0.00 C ATOM 1033 CG LYS A 64 2.791 14.349 -7.413 1.00 0.00 C ATOM 1034 CD LYS A 64 3.207 14.226 -8.881 1.00 0.00 C ATOM 1035 CE LYS A 64 2.472 15.213 -9.791 1.00 0.00 C ATOM 1036 NZ LYS A 64 2.964 15.084 -11.180 1.00 0.00 N ATOM 0 H LYS A 64 4.298 11.905 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 64 3.060 14.566 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.616 13.573 -6.572 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.383 12.358 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.720 14.163 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.966 15.370 -7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.281 14.393 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.014 13.210 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.399 15.022 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.626 16.232 -9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.460 15.758 -11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.983 15.288 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.795 14.116 -11.519 1.00 0.00 H new ATOM 1050 N SER A 65 1.765 11.544 -5.101 1.00 0.00 N ATOM 1051 CA SER A 65 0.588 10.783 -5.385 1.00 0.00 C ATOM 1052 C SER A 65 -0.145 10.297 -4.182 1.00 0.00 C ATOM 1053 O SER A 65 -0.837 9.282 -4.253 1.00 0.00 O ATOM 1054 CB SER A 65 0.931 9.594 -6.298 1.00 0.00 C ATOM 1055 OG SER A 65 1.439 10.080 -7.531 1.00 0.00 O ATOM 0 H SER A 65 2.616 10.982 -5.083 1.00 0.00 H new ATOM 0 HA SER A 65 -0.088 11.475 -5.888 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.668 8.951 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.043 8.986 -6.472 1.00 0.00 H new ATOM 0 HG SER A 65 0.701 10.197 -8.165 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.172 11.052 -3.069 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.247 11.035 -2.127 1.00 0.00 C ATOM 1063 C GLN A 66 -2.559 11.316 -2.775 1.00 0.00 C ATOM 1064 O GLN A 66 -3.610 10.777 -2.429 1.00 0.00 O ATOM 1065 CB GLN A 66 -0.935 12.161 -1.126 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.536 11.872 0.250 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.367 13.063 1.183 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.815 14.172 0.898 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -0.683 12.831 2.335 1.00 0.00 N ATOM 0 H GLN A 66 0.579 11.695 -2.817 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.325 10.053 -1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.145 12.279 -1.035 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.328 13.105 -1.505 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.595 11.635 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.055 10.995 0.684 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.326 11.897 2.537 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.527 13.591 2.997 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.472 12.167 -3.812 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.500 12.665 -4.674 1.00 0.00 C ATOM 1080 C GLU A 67 -3.996 11.625 -5.618 1.00 0.00 C ATOM 1081 O GLU A 67 -5.205 11.428 -5.734 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.952 13.875 -5.448 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.681 15.056 -4.514 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.591 16.379 -5.262 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -1.616 16.600 -6.029 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -3.513 17.216 -5.076 1.00 0.00 O ATOM 0 H GLU A 67 -1.565 12.552 -4.076 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.351 12.962 -4.061 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.032 13.595 -5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.666 14.172 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.475 15.116 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.750 14.883 -3.974 1.00 0.00 H new ATOM 1093 N ASP A 68 -3.094 10.910 -6.316 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.463 9.846 -7.196 1.00 0.00 C ATOM 1095 C ASP A 68 -3.851 8.605 -6.468 1.00 0.00 C ATOM 1096 O ASP A 68 -4.850 7.985 -6.830 1.00 0.00 O ATOM 1097 CB ASP A 68 -2.351 9.458 -8.185 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.847 10.656 -8.976 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -2.593 11.130 -9.875 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -0.694 11.102 -8.736 1.00 0.00 O ATOM 0 H ASP A 68 -2.089 11.075 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.316 10.249 -7.742 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.521 9.009 -7.639 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.726 8.701 -8.874 1.00 0.00 H new ATOM 1105 N ALA A 69 -3.112 8.219 -5.413 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.420 7.101 -4.576 1.00 0.00 C ATOM 1107 C ALA A 69 -4.856 6.956 -4.208 1.00 0.00 C ATOM 1108 O ALA A 69 -5.524 6.004 -4.610 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.602 7.144 -3.274 1.00 0.00 C ATOM 0 H ALA A 69 -2.262 8.708 -5.131 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.158 6.240 -5.190 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.856 6.283 -2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.538 7.120 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.831 8.060 -2.730 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.450 7.927 -3.491 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.847 7.942 -3.186 1.00 0.00 C ATOM 1117 C GLU A 70 -7.851 7.755 -4.271 1.00 0.00 C ATOM 1118 O GLU A 70 -8.956 7.286 -4.004 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.183 9.224 -2.406 1.00 0.00 C ATOM 1120 CG GLU A 70 -7.036 10.495 -3.244 1.00 0.00 C ATOM 1121 CD GLU A 70 -8.195 11.462 -3.046 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -9.372 11.042 -3.209 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.957 12.673 -2.795 1.00 0.00 O ATOM 0 H GLU A 70 -4.942 8.726 -3.112 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.959 7.021 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.205 9.158 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.531 9.293 -1.535 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.103 10.993 -2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.968 10.225 -4.298 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.561 8.127 -5.530 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.405 8.004 -6.678 1.00 0.00 C ATOM 1132 C LYS A 71 -8.256 6.700 -7.385 1.00 0.00 C ATOM 1133 O LYS A 71 -9.225 6.139 -7.894 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.160 9.091 -7.738 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.219 10.547 -7.272 1.00 0.00 C ATOM 1136 CD LYS A 71 -9.499 10.931 -6.528 1.00 0.00 C ATOM 1137 CE LYS A 71 -9.590 12.433 -6.254 1.00 0.00 C ATOM 1138 NZ LYS A 71 -10.425 12.699 -5.061 1.00 0.00 N ATOM 0 H LYS A 71 -6.662 8.548 -5.763 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.404 8.100 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.179 8.917 -8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.895 8.960 -8.532 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.366 10.741 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.112 11.196 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.363 10.619 -7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.542 10.389 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.591 12.841 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.014 12.941 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.140 13.602 -4.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.425 12.750 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.298 11.932 -4.370 1.00 0.00 H new ATOM 1152 N GLU A 72 -7.027 6.166 -7.496 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.836 4.921 -8.173 1.00 0.00 C ATOM 1154 C GLU A 72 -7.011 3.769 -7.245 1.00 0.00 C ATOM 1155 O GLU A 72 -7.384 2.680 -7.678 1.00 0.00 O ATOM 1156 CB GLU A 72 -5.530 4.908 -8.987 1.00 0.00 C ATOM 1157 CG GLU A 72 -5.483 6.082 -9.967 1.00 0.00 C ATOM 1158 CD GLU A 72 -4.638 5.827 -11.207 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -5.013 4.917 -11.993 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -3.639 6.560 -11.439 1.00 0.00 O ATOM 0 H GLU A 72 -6.177 6.588 -7.123 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.622 4.804 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.676 4.959 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.448 3.969 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.500 6.322 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.092 6.958 -9.449 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.837 3.949 -5.923 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.907 2.876 -4.981 1.00 0.00 C ATOM 1169 C TYR A 73 -8.259 2.260 -4.870 1.00 0.00 C ATOM 1170 O TYR A 73 -8.380 1.038 -4.947 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.471 3.323 -3.576 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.090 2.197 -2.678 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.955 1.467 -2.943 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.813 1.936 -1.537 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.502 0.522 -2.053 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.374 0.975 -0.657 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.218 0.273 -0.906 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.796 -0.742 -0.021 1.00 0.00 O ATOM 0 H TYR A 73 -6.644 4.857 -5.501 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.220 2.126 -5.374 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.625 4.004 -3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.284 3.884 -3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.413 1.638 -3.861 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.721 2.484 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.590 -0.021 -2.253 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.942 0.770 0.238 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.986 -1.166 -0.372 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.325 3.067 -4.721 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.692 2.667 -4.858 1.00 0.00 C ATOM 1190 C ILE A 74 -10.979 1.696 -5.952 1.00 0.00 C ATOM 1191 O ILE A 74 -11.518 0.616 -5.719 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.575 3.876 -4.940 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -13.056 3.532 -5.176 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -11.089 4.911 -5.969 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -14.004 4.728 -5.112 1.00 0.00 C ATOM 0 H ILE A 74 -9.227 4.056 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.919 2.101 -3.955 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.501 4.335 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -13.154 3.059 -6.153 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.368 2.798 -4.433 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.771 5.761 -5.980 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.089 5.251 -5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.062 4.455 -6.959 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.026 4.392 -5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.940 5.191 -4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.724 5.456 -5.873 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.582 2.012 -7.198 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.848 1.173 -8.325 1.00 0.00 C ATOM 1209 C ALA A 75 -9.980 -0.032 -8.455 1.00 0.00 C ATOM 1210 O ALA A 75 -10.326 -0.988 -9.146 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.734 2.011 -9.610 1.00 0.00 C ATOM 0 H ALA A 75 -10.068 2.863 -7.426 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.855 0.787 -8.164 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.935 1.379 -10.475 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.458 2.825 -9.579 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.728 2.423 -9.688 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.816 -0.079 -7.783 1.00 0.00 N ATOM 1218 CA LEU A 76 -8.059 -1.285 -7.657 1.00 0.00 C ATOM 1219 C LEU A 76 -8.676 -2.183 -6.641 1.00 0.00 C ATOM 1220 O LEU A 76 -8.978 -3.348 -6.899 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.622 -1.005 -7.184 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.767 -0.176 -8.157 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.550 0.352 -7.378 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -5.328 -0.983 -9.391 1.00 0.00 C ATOM 0 H LEU A 76 -8.396 0.728 -7.322 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.048 -1.748 -8.644 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.665 -0.484 -6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.122 -1.957 -7.006 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.364 0.650 -8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.922 0.946 -8.043 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.890 0.973 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.974 -0.488 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.727 -0.350 -10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.736 -1.841 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.209 -1.330 -9.931 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.901 -1.655 -5.424 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.264 -2.368 -4.239 1.00 0.00 C ATOM 1238 C VAL A 77 -10.648 -2.915 -4.318 1.00 0.00 C ATOM 1239 O VAL A 77 -10.919 -3.976 -3.757 1.00 0.00 O ATOM 1240 CB VAL A 77 -9.009 -1.531 -3.021 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.672 -2.103 -1.757 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.483 -1.554 -2.832 1.00 0.00 C ATOM 0 H VAL A 77 -8.823 -0.652 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.622 -3.245 -4.150 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.422 -0.532 -3.161 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.454 -1.456 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.751 -2.157 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.282 -3.102 -1.562 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.216 -0.961 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.149 -2.582 -2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.001 -1.135 -3.715 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.562 -2.309 -5.098 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.820 -2.946 -5.338 1.00 0.00 C ATOM 1254 C ASP A 78 -12.686 -4.239 -6.069 1.00 0.00 C ATOM 1255 O ASP A 78 -13.355 -5.222 -5.755 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.748 -1.979 -6.090 1.00 0.00 C ATOM 1257 CG ASP A 78 -15.195 -2.454 -6.074 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.799 -2.547 -4.973 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.729 -2.769 -7.171 1.00 0.00 O ATOM 0 H ASP A 78 -11.437 -1.404 -5.551 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.256 -3.194 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.686 -0.990 -5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.410 -1.879 -7.121 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.757 -4.311 -7.039 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.468 -5.490 -7.794 1.00 0.00 C ATOM 1266 C GLN A 79 -10.584 -6.448 -7.072 1.00 0.00 C ATOM 1267 O GLN A 79 -10.517 -7.624 -7.426 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.848 -5.143 -9.158 1.00 0.00 C ATOM 1269 CG GLN A 79 -11.551 -4.048 -9.962 1.00 0.00 C ATOM 1270 CD GLN A 79 -12.965 -4.360 -10.432 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -13.615 -5.356 -10.116 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -13.498 -3.423 -11.260 1.00 0.00 N ATOM 0 H GLN A 79 -11.182 -3.512 -7.308 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.428 -5.983 -7.946 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.814 -4.839 -8.996 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.823 -6.049 -9.763 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.584 -3.144 -9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.942 -3.821 -10.837 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.953 -2.600 -11.517 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.443 -3.543 -11.624 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.893 -6.029 -5.998 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.270 -6.889 -5.040 1.00 0.00 C ATOM 1283 C LEU A 80 -10.345 -7.544 -4.244 1.00 0.00 C ATOM 1284 O LEU A 80 -10.521 -8.761 -4.301 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.300 -6.173 -4.083 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.854 -6.050 -4.591 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.645 -4.969 -5.665 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -5.900 -5.811 -3.410 1.00 0.00 C ATOM 0 H LEU A 80 -9.762 -5.040 -5.787 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.667 -7.606 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.684 -5.173 -3.882 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.291 -6.708 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.630 -6.998 -5.079 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.597 -4.952 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.267 -5.192 -6.532 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.922 -3.996 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.878 -5.725 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.179 -4.890 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.965 -6.648 -2.714 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.154 -6.760 -3.510 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.141 -7.225 -2.586 1.00 0.00 C ATOM 1302 C ILE A 81 -13.203 -8.057 -3.219 1.00 0.00 C ATOM 1303 O ILE A 81 -13.680 -9.019 -2.620 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.732 -6.047 -1.869 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -11.700 -5.468 -0.886 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.063 -6.342 -1.157 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.143 -4.185 -0.185 1.00 0.00 C ATOM 0 H ILE A 81 -11.117 -5.742 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.643 -7.886 -1.876 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.977 -5.310 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.475 -6.221 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.774 -5.271 -1.426 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.420 -5.438 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.801 -6.673 -1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.912 -7.125 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.355 -3.848 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.339 -3.413 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.051 -4.377 0.386 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.575 -7.778 -4.483 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.450 -8.604 -5.254 1.00 0.00 C ATOM 1321 C ALA A 82 -14.044 -10.036 -5.332 1.00 0.00 C ATOM 1322 O ALA A 82 -14.888 -10.926 -5.256 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.584 -8.037 -6.678 1.00 0.00 C ATOM 0 H ALA A 82 -13.255 -6.949 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.405 -8.587 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.252 -8.671 -7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.992 -7.027 -6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.603 -8.011 -7.153 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.734 -10.331 -5.419 1.00 0.00 N ATOM 1330 CA LYS A 83 -12.252 -11.669 -5.273 1.00 0.00 C ATOM 1331 C LYS A 83 -12.010 -11.981 -3.836 1.00 0.00 C ATOM 1332 O LYS A 83 -12.349 -13.057 -3.345 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.960 -11.916 -6.069 1.00 0.00 C ATOM 1334 CG LYS A 83 -11.153 -12.026 -7.583 1.00 0.00 C ATOM 1335 CD LYS A 83 -10.829 -10.751 -8.366 1.00 0.00 C ATOM 1336 CE LYS A 83 -9.331 -10.465 -8.486 1.00 0.00 C ATOM 1337 NZ LYS A 83 -9.108 -9.193 -9.208 1.00 0.00 N ATOM 0 H LYS A 83 -12.006 -9.638 -5.591 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.025 -12.326 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.262 -11.104 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.497 -12.834 -5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.525 -12.835 -7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.187 -12.306 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.255 -10.831 -9.366 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.313 -9.904 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.883 -10.411 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.839 -11.282 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.087 -9.028 -9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.548 -9.246 -10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.532 -8.410 -8.671 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.361 -11.061 -3.100 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.592 -11.386 -1.940 1.00 0.00 C ATOM 1353 C TYR A 84 -11.352 -11.363 -0.659 1.00 0.00 C ATOM 1354 O TYR A 84 -10.879 -11.877 0.353 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.372 -10.455 -1.828 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.389 -10.526 -2.944 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -8.299 -11.551 -3.858 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.480 -9.498 -3.038 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -7.330 -11.562 -4.833 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.494 -9.501 -3.997 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.419 -10.534 -4.901 1.00 0.00 C ATOM 1362 OH TYR A 84 -5.390 -10.507 -5.866 1.00 0.00 O ATOM 0 H TYR A 84 -11.372 -10.065 -3.318 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.281 -12.420 -2.088 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.730 -9.428 -1.751 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.852 -10.682 -0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.006 -12.366 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.542 -8.672 -2.345 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.284 -12.375 -5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.779 -8.692 -4.040 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.999 -9.609 -5.902 1.00 0.00 H new ATOM 1372 N SER A 85 -12.575 -10.801 -0.657 1.00 0.00 N ATOM 1373 CA SER A 85 -13.534 -10.873 0.401 1.00 0.00 C ATOM 1374 C SER A 85 -13.719 -12.211 1.031 1.00 0.00 C ATOM 1375 O SER A 85 -13.583 -12.341 2.247 1.00 0.00 O ATOM 1376 CB SER A 85 -14.897 -10.303 -0.025 1.00 0.00 C ATOM 1377 OG SER A 85 -15.302 -10.799 -1.292 1.00 0.00 O ATOM 0 H SER A 85 -12.916 -10.259 -1.451 1.00 0.00 H new ATOM 0 HA SER A 85 -13.090 -10.250 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.648 -10.559 0.723 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.841 -9.215 -0.061 1.00 0.00 H new ATOM 0 HG SER A 85 -14.842 -10.302 -2.000 1.00 0.00 H new ATOM 1383 N SER A 86 -14.024 -13.265 0.254 1.00 0.00 N ATOM 1384 CA SER A 86 -14.014 -14.607 0.749 1.00 0.00 C ATOM 1385 C SER A 86 -13.911 -15.604 -0.397 1.00 0.00 C ATOM 1386 O SER A 86 -14.839 -15.650 -1.248 1.00 0.00 O ATOM 1387 CB SER A 86 -15.247 -15.005 1.578 1.00 0.00 C ATOM 1388 OG SER A 86 -16.459 -14.782 0.873 1.00 0.00 O ATOM 1389 OXT SER A 86 -12.930 -16.393 -0.447 1.00 0.00 O ATOM 0 H SER A 86 -14.281 -13.186 -0.730 1.00 0.00 H new ATOM 0 HA SER A 86 -13.145 -14.636 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.175 -16.058 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.258 -14.435 2.507 1.00 0.00 H new ATOM 0 HG SER A 86 -16.334 -15.010 -0.072 1.00 0.00 H new TER 1395 SER A 86