USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 HIS : no HD1:sc= -2.44! X(o=-1.8!,f=-1.5) USER MOD Set 1.2: A 92 SER OG : rot 127:sc= 0.675 USER MOD Set 2.1: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 61 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.888 K(o=-0.89,f=-3.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.0291 (180deg=-0.237) USER MOD Single : A 52 MET CE :methyl 140:sc= -2.07 (180deg=-4.28!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 65 GLN : amide:sc= 0.0214 X(o=0.021,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 145:sc= 0.997 (180deg=0.325) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 73 MET CE :methyl 147:sc= -0.946 (180deg=-2.33!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -150:sc= 0 USER MOD Single : A 94 SER OG : rot 21:sc= 0.287 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -121:sc=-0.00704 (180deg=-0.241) USER MOD Single : A 108 LYS NZ :NH3+ -122:sc= 0.297 (180deg=-0.0194) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -45:sc= 1.11 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot -54:sc= 0.409 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 28.248 13.164 5.138 1.00 0.00 N ATOM 2 CA GLY A 37 28.145 13.234 3.692 1.00 0.00 C ATOM 3 C GLY A 37 26.976 12.433 3.155 1.00 0.00 C ATOM 4 O GLY A 37 25.832 12.644 3.558 1.00 0.00 O ATOM 0 HA2 GLY A 37 28.038 14.275 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 37 29.069 12.866 3.247 1.00 0.00 H new ATOM 8 N SER A 38 27.262 11.513 2.240 1.00 0.00 N ATOM 9 CA SER A 38 26.225 10.681 1.641 1.00 0.00 C ATOM 10 C SER A 38 25.752 9.613 2.623 1.00 0.00 C ATOM 11 O SER A 38 24.584 9.582 3.009 1.00 0.00 O ATOM 12 CB SER A 38 26.745 10.021 0.363 1.00 0.00 C ATOM 13 OG SER A 38 26.963 10.983 -0.655 1.00 0.00 O ATOM 0 H SER A 38 28.204 11.325 1.897 1.00 0.00 H new ATOM 0 HA SER A 38 25.379 11.321 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 38 27.675 9.494 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 38 26.028 9.276 0.017 1.00 0.00 H new ATOM 0 HG SER A 38 27.297 10.536 -1.461 1.00 0.00 H new ATOM 19 N SER A 39 26.669 8.737 3.021 1.00 0.00 N ATOM 20 CA SER A 39 26.347 7.664 3.954 1.00 0.00 C ATOM 21 C SER A 39 25.953 8.228 5.316 1.00 0.00 C ATOM 22 O SER A 39 26.398 9.307 5.706 1.00 0.00 O ATOM 23 CB SER A 39 27.539 6.717 4.107 1.00 0.00 C ATOM 24 OG SER A 39 27.191 5.580 4.879 1.00 0.00 O ATOM 0 H SER A 39 27.641 8.749 2.712 1.00 0.00 H new ATOM 0 HA SER A 39 25.500 7.108 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 39 27.885 6.400 3.123 1.00 0.00 H new ATOM 0 HB3 SER A 39 28.367 7.243 4.582 1.00 0.00 H new ATOM 0 HG SER A 39 27.969 4.990 4.961 1.00 0.00 H new ATOM 30 N GLY A 40 25.114 7.489 6.036 1.00 0.00 N ATOM 31 CA GLY A 40 24.674 7.931 7.346 1.00 0.00 C ATOM 32 C GLY A 40 23.233 8.403 7.345 1.00 0.00 C ATOM 33 O GLY A 40 22.925 9.475 6.825 1.00 0.00 O ATOM 0 H GLY A 40 24.732 6.593 5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 40 24.785 7.113 8.058 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.318 8.741 7.688 1.00 0.00 H new ATOM 37 N SER A 41 22.348 7.601 7.927 1.00 0.00 N ATOM 38 CA SER A 41 20.931 7.940 7.986 1.00 0.00 C ATOM 39 C SER A 41 20.299 7.411 9.270 1.00 0.00 C ATOM 40 O SER A 41 20.697 6.367 9.786 1.00 0.00 O ATOM 41 CB SER A 41 20.198 7.371 6.770 1.00 0.00 C ATOM 42 OG SER A 41 19.974 5.979 6.915 1.00 0.00 O ATOM 0 H SER A 41 22.587 6.711 8.365 1.00 0.00 H new ATOM 0 HA SER A 41 20.842 9.026 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 41 19.245 7.885 6.643 1.00 0.00 H new ATOM 0 HB3 SER A 41 20.783 7.557 5.869 1.00 0.00 H new ATOM 0 HG SER A 41 19.503 5.640 6.126 1.00 0.00 H new ATOM 48 N SER A 42 19.311 8.139 9.779 1.00 0.00 N ATOM 49 CA SER A 42 18.625 7.747 11.005 1.00 0.00 C ATOM 50 C SER A 42 17.236 7.196 10.697 1.00 0.00 C ATOM 51 O SER A 42 16.653 7.495 9.655 1.00 0.00 O ATOM 52 CB SER A 42 18.513 8.939 11.956 1.00 0.00 C ATOM 53 OG SER A 42 17.523 9.852 11.516 1.00 0.00 O ATOM 0 H SER A 42 18.967 9.004 9.362 1.00 0.00 H new ATOM 0 HA SER A 42 19.211 6.963 11.485 1.00 0.00 H new ATOM 0 HB2 SER A 42 18.268 8.587 12.958 1.00 0.00 H new ATOM 0 HB3 SER A 42 19.476 9.446 12.023 1.00 0.00 H new ATOM 0 HG SER A 42 17.470 10.604 12.142 1.00 0.00 H new ATOM 59 N GLY A 43 16.710 6.387 11.612 1.00 0.00 N ATOM 60 CA GLY A 43 15.394 5.806 11.421 1.00 0.00 C ATOM 61 C GLY A 43 14.283 6.828 11.559 1.00 0.00 C ATOM 62 O GLY A 43 13.542 6.819 12.541 1.00 0.00 O ATOM 0 H GLY A 43 17.172 6.124 12.482 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.342 5.349 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.243 5.009 12.149 1.00 0.00 H new ATOM 66 N GLN A 44 14.170 7.713 10.573 1.00 0.00 N ATOM 67 CA GLN A 44 13.143 8.748 10.591 1.00 0.00 C ATOM 68 C GLN A 44 12.144 8.543 9.456 1.00 0.00 C ATOM 69 O GLN A 44 12.527 8.428 8.292 1.00 0.00 O ATOM 70 CB GLN A 44 13.783 10.133 10.480 1.00 0.00 C ATOM 71 CG GLN A 44 12.833 11.270 10.819 1.00 0.00 C ATOM 72 CD GLN A 44 12.346 11.217 12.253 1.00 0.00 C ATOM 73 OE1 GLN A 44 12.745 10.344 13.024 1.00 0.00 O ATOM 74 NE2 GLN A 44 11.477 12.152 12.619 1.00 0.00 N ATOM 0 H GLN A 44 14.776 7.734 9.753 1.00 0.00 H new ATOM 0 HA GLN A 44 12.608 8.678 11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.645 10.180 11.145 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.155 10.272 9.465 1.00 0.00 H new ATOM 0 HG2 GLN A 44 13.335 12.222 10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.976 11.234 10.147 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.173 12.857 11.947 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.113 12.165 13.572 1.00 0.00 H new ATOM 83 N LYS A 45 10.863 8.499 9.804 1.00 0.00 N ATOM 84 CA LYS A 45 9.808 8.309 8.815 1.00 0.00 C ATOM 85 C LYS A 45 10.124 9.067 7.529 1.00 0.00 C ATOM 86 O LYS A 45 10.002 8.525 6.431 1.00 0.00 O ATOM 87 CB LYS A 45 8.463 8.777 9.377 1.00 0.00 C ATOM 88 CG LYS A 45 7.993 7.973 10.577 1.00 0.00 C ATOM 89 CD LYS A 45 6.915 8.709 11.354 1.00 0.00 C ATOM 90 CE LYS A 45 6.435 7.898 12.547 1.00 0.00 C ATOM 91 NZ LYS A 45 5.065 8.296 12.974 1.00 0.00 N ATOM 0 H LYS A 45 10.530 8.592 10.763 1.00 0.00 H new ATOM 0 HA LYS A 45 9.749 7.245 8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.543 9.826 9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.710 8.716 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.608 7.010 10.242 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.839 7.768 11.233 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.303 9.668 11.697 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.073 8.923 10.696 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.442 6.838 12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.127 8.031 13.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.775 7.720 13.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.063 9.301 13.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.399 8.145 12.189 1.00 0.00 H new ATOM 105 N VAL A 46 10.533 10.324 7.674 1.00 0.00 N ATOM 106 CA VAL A 46 10.870 11.155 6.524 1.00 0.00 C ATOM 107 C VAL A 46 11.500 10.325 5.412 1.00 0.00 C ATOM 108 O VAL A 46 11.057 10.368 4.265 1.00 0.00 O ATOM 109 CB VAL A 46 11.837 12.288 6.915 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.261 13.077 5.685 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.197 13.201 7.950 1.00 0.00 C ATOM 0 H VAL A 46 10.639 10.789 8.576 1.00 0.00 H new ATOM 0 HA VAL A 46 9.938 11.591 6.164 1.00 0.00 H new ATOM 0 HB VAL A 46 12.729 11.844 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.944 13.873 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.762 12.412 4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.381 13.512 5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.894 13.996 8.215 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.288 13.638 7.537 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.950 12.624 8.841 1.00 0.00 H new ATOM 121 N GLU A 47 12.537 9.569 5.759 1.00 0.00 N ATOM 122 CA GLU A 47 13.228 8.728 4.789 1.00 0.00 C ATOM 123 C GLU A 47 12.248 7.803 4.074 1.00 0.00 C ATOM 124 O GLU A 47 12.156 7.806 2.847 1.00 0.00 O ATOM 125 CB GLU A 47 14.315 7.902 5.479 1.00 0.00 C ATOM 126 CG GLU A 47 15.530 8.717 5.891 1.00 0.00 C ATOM 127 CD GLU A 47 15.371 9.350 7.260 1.00 0.00 C ATOM 128 OE1 GLU A 47 14.992 8.630 8.206 1.00 0.00 O ATOM 129 OE2 GLU A 47 15.628 10.566 7.383 1.00 0.00 O ATOM 0 H GLU A 47 12.917 9.522 6.704 1.00 0.00 H new ATOM 0 HA GLU A 47 13.692 9.379 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.891 7.425 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.634 7.104 4.808 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.410 8.074 5.892 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.706 9.498 5.152 1.00 0.00 H new ATOM 136 N PHE A 48 11.517 7.011 4.852 1.00 0.00 N ATOM 137 CA PHE A 48 10.544 6.078 4.294 1.00 0.00 C ATOM 138 C PHE A 48 9.540 6.807 3.406 1.00 0.00 C ATOM 139 O PHE A 48 9.298 6.407 2.267 1.00 0.00 O ATOM 140 CB PHE A 48 9.809 5.343 5.417 1.00 0.00 C ATOM 141 CG PHE A 48 8.686 4.474 4.929 1.00 0.00 C ATOM 142 CD1 PHE A 48 8.945 3.343 4.172 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.370 4.787 5.229 1.00 0.00 C ATOM 144 CE1 PHE A 48 7.913 2.542 3.721 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.333 3.990 4.781 1.00 0.00 C ATOM 146 CZ PHE A 48 6.606 2.865 4.027 1.00 0.00 C ATOM 0 H PHE A 48 11.580 6.996 5.870 1.00 0.00 H new ATOM 0 HA PHE A 48 11.082 5.352 3.685 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.522 4.728 5.965 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.412 6.075 6.121 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.966 3.084 3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.152 5.664 5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.129 1.664 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.311 4.246 5.020 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.798 2.239 3.677 1.00 0.00 H new ATOM 156 N ARG A 49 8.958 7.878 3.936 1.00 0.00 N ATOM 157 CA ARG A 49 7.978 8.661 3.193 1.00 0.00 C ATOM 158 C ARG A 49 8.486 8.976 1.789 1.00 0.00 C ATOM 159 O ARG A 49 7.842 8.644 0.794 1.00 0.00 O ATOM 160 CB ARG A 49 7.663 9.960 3.936 1.00 0.00 C ATOM 161 CG ARG A 49 6.450 10.696 3.390 1.00 0.00 C ATOM 162 CD ARG A 49 5.758 11.510 4.472 1.00 0.00 C ATOM 163 NE ARG A 49 4.921 12.566 3.911 1.00 0.00 N ATOM 164 CZ ARG A 49 3.892 13.109 4.554 1.00 0.00 C ATOM 165 NH1 ARG A 49 3.577 12.696 5.774 1.00 0.00 N ATOM 166 NH2 ARG A 49 3.178 14.066 3.977 1.00 0.00 N ATOM 0 H ARG A 49 9.148 8.223 4.877 1.00 0.00 H new ATOM 0 HA ARG A 49 7.067 8.069 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.497 9.735 4.989 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.530 10.618 3.884 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.758 11.355 2.578 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.747 9.978 2.968 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.146 10.850 5.086 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.508 11.952 5.128 1.00 0.00 H new ATOM 0 HE ARG A 49 5.138 12.906 2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.125 11.960 6.221 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.787 13.114 6.266 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.418 14.386 3.039 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.389 14.482 4.471 1.00 0.00 H new ATOM 180 N LYS A 50 9.646 9.620 1.716 1.00 0.00 N ATOM 181 CA LYS A 50 10.243 9.981 0.435 1.00 0.00 C ATOM 182 C LYS A 50 10.301 8.774 -0.497 1.00 0.00 C ATOM 183 O LYS A 50 9.799 8.821 -1.620 1.00 0.00 O ATOM 184 CB LYS A 50 11.650 10.544 0.645 1.00 0.00 C ATOM 185 CG LYS A 50 11.670 11.874 1.379 1.00 0.00 C ATOM 186 CD LYS A 50 13.074 12.451 1.449 1.00 0.00 C ATOM 187 CE LYS A 50 13.059 13.895 1.928 1.00 0.00 C ATOM 188 NZ LYS A 50 12.452 14.807 0.921 1.00 0.00 N ATOM 0 H LYS A 50 10.192 9.903 2.530 1.00 0.00 H new ATOM 0 HA LYS A 50 9.618 10.745 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.242 9.820 1.206 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.132 10.667 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.010 12.579 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.280 11.740 2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.683 11.849 2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.540 12.398 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.501 13.962 2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.078 14.217 2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.726 15.788 1.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.789 14.549 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.416 14.722 0.955 1.00 0.00 H new ATOM 202 N ARG A 51 10.914 7.695 -0.023 1.00 0.00 N ATOM 203 CA ARG A 51 11.036 6.476 -0.814 1.00 0.00 C ATOM 204 C ARG A 51 9.694 6.090 -1.428 1.00 0.00 C ATOM 205 O ARG A 51 9.609 5.791 -2.619 1.00 0.00 O ATOM 206 CB ARG A 51 11.561 5.330 0.054 1.00 0.00 C ATOM 207 CG ARG A 51 12.143 4.177 -0.748 1.00 0.00 C ATOM 208 CD ARG A 51 11.993 2.855 -0.011 1.00 0.00 C ATOM 209 NE ARG A 51 12.565 1.742 -0.763 1.00 0.00 N ATOM 210 CZ ARG A 51 13.858 1.436 -0.754 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.708 2.157 -0.036 1.00 0.00 N ATOM 212 NH2 ARG A 51 14.302 0.407 -1.464 1.00 0.00 N ATOM 0 H ARG A 51 11.334 7.640 0.905 1.00 0.00 H new ATOM 0 HA ARG A 51 11.744 6.665 -1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.326 5.716 0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.749 4.955 0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.642 4.115 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.198 4.366 -0.947 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.481 2.924 0.961 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.937 2.662 0.176 1.00 0.00 H new ATOM 0 HE ARG A 51 11.938 1.168 -1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.370 2.949 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.700 1.920 -0.031 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.651 -0.150 -2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.295 0.173 -1.457 1.00 0.00 H new ATOM 226 N MET A 52 8.649 6.099 -0.608 1.00 0.00 N ATOM 227 CA MET A 52 7.311 5.750 -1.071 1.00 0.00 C ATOM 228 C MET A 52 6.862 6.685 -2.189 1.00 0.00 C ATOM 229 O MET A 52 6.294 6.245 -3.188 1.00 0.00 O ATOM 230 CB MET A 52 6.315 5.807 0.089 1.00 0.00 C ATOM 231 CG MET A 52 6.621 4.820 1.203 1.00 0.00 C ATOM 232 SD MET A 52 6.615 3.108 0.635 1.00 0.00 S ATOM 233 CE MET A 52 8.314 2.924 0.096 1.00 0.00 C ATOM 0 H MET A 52 8.703 6.344 0.381 1.00 0.00 H new ATOM 0 HA MET A 52 7.343 4.733 -1.463 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.307 6.816 0.501 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.313 5.611 -0.293 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.596 5.053 1.632 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.886 4.937 1.999 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.683 1.940 0.385 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.365 3.026 -0.988 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.929 3.694 0.562 1.00 0.00 H new ATOM 243 N GLU A 53 7.119 7.977 -2.013 1.00 0.00 N ATOM 244 CA GLU A 53 6.740 8.974 -3.008 1.00 0.00 C ATOM 245 C GLU A 53 7.291 8.608 -4.383 1.00 0.00 C ATOM 246 O GLU A 53 6.571 8.637 -5.381 1.00 0.00 O ATOM 247 CB GLU A 53 7.246 10.358 -2.595 1.00 0.00 C ATOM 248 CG GLU A 53 6.667 10.850 -1.280 1.00 0.00 C ATOM 249 CD GLU A 53 7.329 12.125 -0.792 1.00 0.00 C ATOM 250 OE1 GLU A 53 8.518 12.335 -1.111 1.00 0.00 O ATOM 251 OE2 GLU A 53 6.658 12.911 -0.091 1.00 0.00 O ATOM 0 H GLU A 53 7.588 8.358 -1.191 1.00 0.00 H new ATOM 0 HA GLU A 53 5.652 8.996 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.333 10.329 -2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.002 11.074 -3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.598 11.023 -1.400 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.781 10.073 -0.524 1.00 0.00 H new ATOM 258 N LYS A 54 8.573 8.262 -4.426 1.00 0.00 N ATOM 259 CA LYS A 54 9.223 7.889 -5.677 1.00 0.00 C ATOM 260 C LYS A 54 8.569 6.651 -6.282 1.00 0.00 C ATOM 261 O LYS A 54 8.240 6.629 -7.467 1.00 0.00 O ATOM 262 CB LYS A 54 10.713 7.629 -5.444 1.00 0.00 C ATOM 263 CG LYS A 54 11.553 7.730 -6.705 1.00 0.00 C ATOM 264 CD LYS A 54 11.945 9.168 -7.000 1.00 0.00 C ATOM 265 CE LYS A 54 13.174 9.585 -6.206 1.00 0.00 C ATOM 266 NZ LYS A 54 13.351 11.064 -6.194 1.00 0.00 N ATOM 0 H LYS A 54 9.183 8.232 -3.609 1.00 0.00 H new ATOM 0 HA LYS A 54 9.110 8.717 -6.377 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.087 8.343 -4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.837 6.635 -5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.451 7.122 -6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.995 7.324 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.144 9.281 -8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.113 9.830 -6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.086 9.221 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.060 9.117 -6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.199 11.308 -5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.461 11.408 -7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.517 11.510 -5.761 1.00 0.00 H new ATOM 280 N GLU A 55 8.383 5.624 -5.459 1.00 0.00 N ATOM 281 CA GLU A 55 7.768 4.383 -5.914 1.00 0.00 C ATOM 282 C GLU A 55 6.356 4.635 -6.436 1.00 0.00 C ATOM 283 O GLU A 55 6.058 4.382 -7.603 1.00 0.00 O ATOM 284 CB GLU A 55 7.728 3.360 -4.777 1.00 0.00 C ATOM 285 CG GLU A 55 9.048 2.640 -4.559 1.00 0.00 C ATOM 286 CD GLU A 55 9.484 1.842 -5.773 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.017 0.695 -5.929 1.00 0.00 O ATOM 288 OE2 GLU A 55 10.294 2.366 -6.567 1.00 0.00 O ATOM 0 H GLU A 55 8.649 5.627 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 55 8.373 3.986 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.443 3.866 -3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.953 2.624 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.819 3.370 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.956 1.971 -3.703 1.00 0.00 H new ATOM 295 N VAL A 56 5.489 5.136 -5.561 1.00 0.00 N ATOM 296 CA VAL A 56 4.108 5.423 -5.932 1.00 0.00 C ATOM 297 C VAL A 56 4.033 6.069 -7.311 1.00 0.00 C ATOM 298 O VAL A 56 3.390 5.542 -8.219 1.00 0.00 O ATOM 299 CB VAL A 56 3.433 6.352 -4.905 1.00 0.00 C ATOM 300 CG1 VAL A 56 2.034 6.731 -5.366 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.391 5.690 -3.536 1.00 0.00 C ATOM 0 H VAL A 56 5.719 5.351 -4.591 1.00 0.00 H new ATOM 0 HA VAL A 56 3.580 4.470 -5.951 1.00 0.00 H new ATOM 0 HB VAL A 56 4.022 7.265 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.573 7.387 -4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.094 7.248 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.431 5.830 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.911 6.360 -2.823 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.825 4.761 -3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.407 5.475 -3.205 1.00 0.00 H new ATOM 311 N SER A 57 4.694 7.212 -7.460 1.00 0.00 N ATOM 312 CA SER A 57 4.700 7.932 -8.728 1.00 0.00 C ATOM 313 C SER A 57 5.003 6.988 -9.888 1.00 0.00 C ATOM 314 O SER A 57 4.187 6.819 -10.795 1.00 0.00 O ATOM 315 CB SER A 57 5.730 9.062 -8.693 1.00 0.00 C ATOM 316 OG SER A 57 5.466 10.025 -9.698 1.00 0.00 O ATOM 0 H SER A 57 5.232 7.660 -6.718 1.00 0.00 H new ATOM 0 HA SER A 57 3.708 8.359 -8.879 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.716 9.541 -7.714 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.730 8.651 -8.833 1.00 0.00 H new ATOM 0 HG SER A 57 6.138 10.737 -9.653 1.00 0.00 H new ATOM 322 N ASP A 58 6.180 6.374 -9.851 1.00 0.00 N ATOM 323 CA ASP A 58 6.592 5.446 -10.897 1.00 0.00 C ATOM 324 C ASP A 58 5.450 4.505 -11.269 1.00 0.00 C ATOM 325 O ASP A 58 5.227 4.218 -12.446 1.00 0.00 O ATOM 326 CB ASP A 58 7.807 4.637 -10.441 1.00 0.00 C ATOM 327 CG ASP A 58 8.380 3.776 -11.550 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.695 4.327 -12.626 1.00 0.00 O ATOM 329 OD2 ASP A 58 8.513 2.552 -11.342 1.00 0.00 O ATOM 0 H ASP A 58 6.866 6.502 -9.107 1.00 0.00 H new ATOM 0 HA ASP A 58 6.862 6.027 -11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.578 5.318 -10.079 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.523 4.002 -9.602 1.00 0.00 H new ATOM 334 N PHE A 59 4.730 4.028 -10.259 1.00 0.00 N ATOM 335 CA PHE A 59 3.613 3.118 -10.480 1.00 0.00 C ATOM 336 C PHE A 59 2.462 3.831 -11.185 1.00 0.00 C ATOM 337 O PHE A 59 1.856 3.290 -12.110 1.00 0.00 O ATOM 338 CB PHE A 59 3.130 2.537 -9.150 1.00 0.00 C ATOM 339 CG PHE A 59 1.747 1.955 -9.217 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.634 2.780 -9.242 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.559 0.582 -9.254 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.640 2.247 -9.304 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.288 0.044 -9.316 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.813 0.878 -9.340 1.00 0.00 C ATOM 0 H PHE A 59 4.900 4.257 -9.280 1.00 0.00 H new ATOM 0 HA PHE A 59 3.960 2.305 -11.119 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.826 1.763 -8.827 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.150 3.320 -8.392 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.763 3.852 -9.213 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.416 -0.075 -9.234 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.499 2.901 -9.324 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.155 -1.027 -9.346 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.808 0.460 -9.387 1.00 0.00 H new ATOM 354 N ILE A 60 2.167 5.048 -10.739 1.00 0.00 N ATOM 355 CA ILE A 60 1.090 5.835 -11.326 1.00 0.00 C ATOM 356 C ILE A 60 1.258 5.956 -12.837 1.00 0.00 C ATOM 357 O ILE A 60 0.343 5.644 -13.599 1.00 0.00 O ATOM 358 CB ILE A 60 1.026 7.247 -10.714 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.522 7.178 -9.271 1.00 0.00 C ATOM 360 CG2 ILE A 60 0.131 8.148 -11.552 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.763 8.448 -8.486 1.00 0.00 C ATOM 0 H ILE A 60 2.659 5.510 -9.974 1.00 0.00 H new ATOM 0 HA ILE A 60 0.160 5.310 -11.107 1.00 0.00 H new ATOM 0 HB ILE A 60 2.030 7.671 -10.708 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.546 6.962 -9.278 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.012 6.348 -8.763 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.096 9.142 -11.106 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.530 8.218 -12.564 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.875 7.730 -11.587 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.381 8.327 -7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.833 8.655 -8.448 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.250 9.278 -8.971 1.00 0.00 H new ATOM 373 N GLN A 61 2.433 6.409 -13.262 1.00 0.00 N ATOM 374 CA GLN A 61 2.720 6.569 -14.683 1.00 0.00 C ATOM 375 C GLN A 61 2.625 5.233 -15.412 1.00 0.00 C ATOM 376 O GLN A 61 2.075 5.152 -16.510 1.00 0.00 O ATOM 377 CB GLN A 61 4.113 7.172 -14.878 1.00 0.00 C ATOM 378 CG GLN A 61 4.308 8.497 -14.159 1.00 0.00 C ATOM 379 CD GLN A 61 5.739 8.993 -14.228 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.423 8.813 -15.237 1.00 0.00 O ATOM 381 NE2 GLN A 61 6.201 9.621 -13.154 1.00 0.00 N ATOM 0 H GLN A 61 3.201 6.671 -12.644 1.00 0.00 H new ATOM 0 HA GLN A 61 1.976 7.245 -15.104 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.860 6.462 -14.523 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.291 7.317 -15.944 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.647 9.245 -14.597 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.016 8.386 -13.115 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.600 9.748 -12.340 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.157 9.976 -13.143 1.00 0.00 H new ATOM 390 N ASP A 62 3.164 4.188 -14.794 1.00 0.00 N ATOM 391 CA ASP A 62 3.140 2.854 -15.384 1.00 0.00 C ATOM 392 C ASP A 62 1.705 2.390 -15.618 1.00 0.00 C ATOM 393 O ASP A 62 0.995 2.039 -14.676 1.00 0.00 O ATOM 394 CB ASP A 62 3.870 1.860 -14.480 1.00 0.00 C ATOM 395 CG ASP A 62 5.377 1.950 -14.619 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.894 3.080 -14.745 1.00 0.00 O ATOM 397 OD2 ASP A 62 6.039 0.891 -14.602 1.00 0.00 O ATOM 0 H ASP A 62 3.623 4.239 -13.885 1.00 0.00 H new ATOM 0 HA ASP A 62 3.650 2.899 -16.346 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.592 2.045 -13.442 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.546 0.848 -14.721 1.00 0.00 H new ATOM 402 N SER A 63 1.286 2.392 -16.879 1.00 0.00 N ATOM 403 CA SER A 63 -0.065 1.976 -17.236 1.00 0.00 C ATOM 404 C SER A 63 -0.213 0.461 -17.131 1.00 0.00 C ATOM 405 O SER A 63 -1.200 -0.042 -16.596 1.00 0.00 O ATOM 406 CB SER A 63 -0.405 2.436 -18.655 1.00 0.00 C ATOM 407 OG SER A 63 0.476 1.859 -19.603 1.00 0.00 O ATOM 0 H SER A 63 1.863 2.677 -17.671 1.00 0.00 H new ATOM 0 HA SER A 63 -0.759 2.441 -16.535 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.432 2.160 -18.894 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.345 3.523 -18.713 1.00 0.00 H new ATOM 0 HG SER A 63 0.237 2.167 -20.502 1.00 0.00 H new ATOM 413 N GLY A 64 0.778 -0.261 -17.646 1.00 0.00 N ATOM 414 CA GLY A 64 0.740 -1.711 -17.601 1.00 0.00 C ATOM 415 C GLY A 64 0.428 -2.240 -16.215 1.00 0.00 C ATOM 416 O GLY A 64 -0.329 -3.199 -16.067 1.00 0.00 O ATOM 0 H GLY A 64 1.606 0.132 -18.093 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.011 -2.074 -18.303 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.701 -2.107 -17.930 1.00 0.00 H new ATOM 420 N GLN A 65 1.014 -1.615 -15.199 1.00 0.00 N ATOM 421 CA GLN A 65 0.796 -2.030 -13.819 1.00 0.00 C ATOM 422 C GLN A 65 -0.489 -1.424 -13.264 1.00 0.00 C ATOM 423 O GLN A 65 -0.620 -0.203 -13.170 1.00 0.00 O ATOM 424 CB GLN A 65 1.984 -1.622 -12.947 1.00 0.00 C ATOM 425 CG GLN A 65 3.263 -2.378 -13.270 1.00 0.00 C ATOM 426 CD GLN A 65 4.397 -2.037 -12.323 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.322 -2.307 -11.123 1.00 0.00 O ATOM 428 NE2 GLN A 65 5.457 -1.442 -12.857 1.00 0.00 N ATOM 0 H GLN A 65 1.643 -0.819 -15.306 1.00 0.00 H new ATOM 0 HA GLN A 65 0.700 -3.116 -13.804 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.163 -0.554 -13.068 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.729 -1.786 -11.900 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.068 -3.450 -13.227 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.567 -2.150 -14.292 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.477 -1.237 -13.856 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.251 -1.190 -12.268 1.00 0.00 H new ATOM 437 N ILE A 66 -1.434 -2.284 -12.899 1.00 0.00 N ATOM 438 CA ILE A 66 -2.707 -1.832 -12.353 1.00 0.00 C ATOM 439 C ILE A 66 -2.693 -1.860 -10.828 1.00 0.00 C ATOM 440 O ILE A 66 -3.352 -1.051 -10.175 1.00 0.00 O ATOM 441 CB ILE A 66 -3.876 -2.697 -12.860 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.679 -4.155 -12.440 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.998 -2.588 -14.372 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.941 -4.985 -12.527 1.00 0.00 C ATOM 0 H ILE A 66 -1.342 -3.297 -12.972 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.850 -0.807 -12.694 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.800 -2.331 -12.413 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.913 -4.606 -13.071 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.306 -4.182 -11.416 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.828 -3.205 -14.715 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.179 -1.549 -14.648 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.074 -2.932 -14.837 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.727 -6.007 -12.215 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.703 -4.558 -11.875 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.304 -4.988 -13.555 1.00 0.00 H new ATOM 456 N LYS A 67 -1.936 -2.796 -10.266 1.00 0.00 N ATOM 457 CA LYS A 67 -1.831 -2.929 -8.818 1.00 0.00 C ATOM 458 C LYS A 67 -0.383 -3.154 -8.395 1.00 0.00 C ATOM 459 O LYS A 67 0.425 -3.678 -9.163 1.00 0.00 O ATOM 460 CB LYS A 67 -2.703 -4.088 -8.328 1.00 0.00 C ATOM 461 CG LYS A 67 -2.344 -5.425 -8.952 1.00 0.00 C ATOM 462 CD LYS A 67 -3.454 -6.446 -8.760 1.00 0.00 C ATOM 463 CE LYS A 67 -3.014 -7.836 -9.193 1.00 0.00 C ATOM 464 NZ LYS A 67 -4.171 -8.760 -9.350 1.00 0.00 N ATOM 0 H LYS A 67 -1.385 -3.475 -10.792 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.182 -2.001 -8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.613 -4.166 -7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.747 -3.863 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.152 -5.291 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.423 -5.800 -8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.752 -6.468 -7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.330 -6.145 -9.335 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.473 -7.768 -10.137 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.321 -8.243 -8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.830 -9.697 -9.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.673 -8.845 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.820 -8.385 -10.071 1.00 0.00 H new ATOM 478 N LYS A 68 -0.061 -2.757 -7.169 1.00 0.00 N ATOM 479 CA LYS A 68 1.289 -2.917 -6.642 1.00 0.00 C ATOM 480 C LYS A 68 1.259 -3.545 -5.252 1.00 0.00 C ATOM 481 O LYS A 68 0.404 -3.218 -4.429 1.00 0.00 O ATOM 482 CB LYS A 68 2.001 -1.564 -6.587 1.00 0.00 C ATOM 483 CG LYS A 68 3.399 -1.636 -5.997 1.00 0.00 C ATOM 484 CD LYS A 68 4.193 -0.374 -6.290 1.00 0.00 C ATOM 485 CE LYS A 68 5.686 -0.658 -6.356 1.00 0.00 C ATOM 486 NZ LYS A 68 6.414 0.379 -7.138 1.00 0.00 N ATOM 0 H LYS A 68 -0.717 -2.322 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 68 1.837 -3.582 -7.310 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.062 -1.154 -7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.402 -0.871 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.333 -1.783 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.923 -2.500 -6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.861 0.055 -7.235 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.997 0.369 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.092 -0.702 -5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.850 -1.636 -6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.353 0.534 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.522 0.060 -8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.876 1.269 -7.120 1.00 0.00 H new ATOM 500 N LYS A 69 2.200 -4.448 -4.996 1.00 0.00 N ATOM 501 CA LYS A 69 2.284 -5.120 -3.704 1.00 0.00 C ATOM 502 C LYS A 69 3.551 -4.711 -2.960 1.00 0.00 C ATOM 503 O LYS A 69 4.660 -5.069 -3.358 1.00 0.00 O ATOM 504 CB LYS A 69 2.259 -6.638 -3.894 1.00 0.00 C ATOM 505 CG LYS A 69 2.152 -7.412 -2.592 1.00 0.00 C ATOM 506 CD LYS A 69 2.481 -8.883 -2.788 1.00 0.00 C ATOM 507 CE LYS A 69 3.012 -9.511 -1.509 1.00 0.00 C ATOM 508 NZ LYS A 69 3.461 -10.915 -1.725 1.00 0.00 N ATOM 0 H LYS A 69 2.915 -4.731 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 69 1.421 -4.820 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.417 -6.902 -4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.165 -6.945 -4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.830 -6.982 -1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.143 -7.314 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.588 -9.416 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.221 -8.989 -3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.845 -8.917 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.235 -9.492 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.816 -11.308 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.661 -11.488 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.220 -10.931 -2.435 1.00 0.00 H new ATOM 522 N PHE A 70 3.380 -3.961 -1.877 1.00 0.00 N ATOM 523 CA PHE A 70 4.510 -3.504 -1.076 1.00 0.00 C ATOM 524 C PHE A 70 4.958 -4.587 -0.100 1.00 0.00 C ATOM 525 O PHE A 70 4.272 -5.592 0.085 1.00 0.00 O ATOM 526 CB PHE A 70 4.138 -2.233 -0.310 1.00 0.00 C ATOM 527 CG PHE A 70 4.087 -1.005 -1.174 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.229 -0.255 -1.404 1.00 0.00 C ATOM 529 CD2 PHE A 70 2.896 -0.601 -1.755 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.185 0.875 -2.198 1.00 0.00 C ATOM 531 CE2 PHE A 70 2.846 0.528 -2.551 1.00 0.00 C ATOM 532 CZ PHE A 70 3.992 1.267 -2.772 1.00 0.00 C ATOM 0 H PHE A 70 2.469 -3.656 -1.533 1.00 0.00 H new ATOM 0 HA PHE A 70 5.337 -3.284 -1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.166 -2.375 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.862 -2.075 0.489 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.165 -0.557 -0.957 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.997 -1.174 -1.584 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.083 1.451 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.912 0.832 -3.000 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.955 2.150 -3.393 1.00 0.00 H new ATOM 542 N GLN A 71 6.114 -4.375 0.521 1.00 0.00 N ATOM 543 CA GLN A 71 6.654 -5.333 1.477 1.00 0.00 C ATOM 544 C GLN A 71 6.608 -4.774 2.895 1.00 0.00 C ATOM 545 O GLN A 71 6.895 -3.600 3.135 1.00 0.00 O ATOM 546 CB GLN A 71 8.093 -5.699 1.108 1.00 0.00 C ATOM 547 CG GLN A 71 8.205 -6.503 -0.177 1.00 0.00 C ATOM 548 CD GLN A 71 9.544 -6.322 -0.864 1.00 0.00 C ATOM 549 OE1 GLN A 71 10.568 -6.117 -0.211 1.00 0.00 O ATOM 550 NE2 GLN A 71 9.545 -6.396 -2.190 1.00 0.00 N ATOM 0 H GLN A 71 6.694 -3.548 0.379 1.00 0.00 H new ATOM 0 HA GLN A 71 6.037 -6.231 1.440 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.677 -4.784 1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.535 -6.271 1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.055 -7.559 0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.408 -6.205 -0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.674 -6.567 -2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.417 -6.281 -2.707 1.00 0.00 H new ATOM 559 N PRO A 72 6.237 -5.630 3.859 1.00 0.00 N ATOM 560 CA PRO A 72 6.144 -5.243 5.269 1.00 0.00 C ATOM 561 C PRO A 72 7.513 -4.984 5.890 1.00 0.00 C ATOM 562 O PRO A 72 8.160 -5.901 6.395 1.00 0.00 O ATOM 563 CB PRO A 72 5.480 -6.455 5.927 1.00 0.00 C ATOM 564 CG PRO A 72 5.821 -7.602 5.039 1.00 0.00 C ATOM 565 CD PRO A 72 5.881 -7.043 3.645 1.00 0.00 C ATOM 0 HA PRO A 72 5.591 -4.313 5.401 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.856 -6.612 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.401 -6.322 6.005 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.775 -8.045 5.323 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.070 -8.389 5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.626 -7.557 3.038 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.925 -7.143 3.130 1.00 0.00 H new ATOM 573 N MET A 73 7.947 -3.728 5.851 1.00 0.00 N ATOM 574 CA MET A 73 9.238 -3.349 6.412 1.00 0.00 C ATOM 575 C MET A 73 9.079 -2.821 7.834 1.00 0.00 C ATOM 576 O MET A 73 9.851 -3.172 8.726 1.00 0.00 O ATOM 577 CB MET A 73 9.908 -2.290 5.534 1.00 0.00 C ATOM 578 CG MET A 73 10.652 -2.870 4.342 1.00 0.00 C ATOM 579 SD MET A 73 9.607 -3.031 2.882 1.00 0.00 S ATOM 580 CE MET A 73 8.909 -1.384 2.783 1.00 0.00 C ATOM 0 H MET A 73 7.424 -2.956 5.437 1.00 0.00 H new ATOM 0 HA MET A 73 9.868 -4.238 6.442 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.149 -1.595 5.175 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.606 -1.714 6.142 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.504 -2.233 4.106 1.00 0.00 H new ATOM 0 HG3 MET A 73 11.050 -3.849 4.609 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.750 -1.118 1.738 1.00 0.00 H new ATOM 0 HE2 MET A 73 7.956 -1.360 3.312 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.595 -0.670 3.238 1.00 0.00 H new ATOM 590 N ASN A 74 8.074 -1.976 8.038 1.00 0.00 N ATOM 591 CA ASN A 74 7.814 -1.400 9.352 1.00 0.00 C ATOM 592 C ASN A 74 6.351 -1.579 9.746 1.00 0.00 C ATOM 593 O ASN A 74 5.550 -2.109 8.976 1.00 0.00 O ATOM 594 CB ASN A 74 8.178 0.087 9.361 1.00 0.00 C ATOM 595 CG ASN A 74 9.659 0.321 9.134 1.00 0.00 C ATOM 596 OD1 ASN A 74 10.503 -0.325 9.754 1.00 0.00 O ATOM 597 ND2 ASN A 74 9.981 1.249 8.240 1.00 0.00 N ATOM 0 H ASN A 74 7.426 -1.675 7.310 1.00 0.00 H new ATOM 0 HA ASN A 74 8.434 -1.924 10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.609 0.602 8.587 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.886 0.524 10.316 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.962 1.450 8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.248 1.761 7.749 1.00 0.00 H new ATOM 604 N LYS A 75 6.010 -1.133 10.950 1.00 0.00 N ATOM 605 CA LYS A 75 4.643 -1.241 11.447 1.00 0.00 C ATOM 606 C LYS A 75 3.842 0.013 11.115 1.00 0.00 C ATOM 607 O LYS A 75 2.641 -0.057 10.854 1.00 0.00 O ATOM 608 CB LYS A 75 4.646 -1.472 12.960 1.00 0.00 C ATOM 609 CG LYS A 75 4.874 -2.921 13.354 1.00 0.00 C ATOM 610 CD LYS A 75 3.576 -3.711 13.349 1.00 0.00 C ATOM 611 CE LYS A 75 3.312 -4.339 11.989 1.00 0.00 C ATOM 612 NZ LYS A 75 2.510 -5.589 12.102 1.00 0.00 N ATOM 0 H LYS A 75 6.661 -0.693 11.600 1.00 0.00 H new ATOM 0 HA LYS A 75 4.171 -2.092 10.956 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.423 -0.855 13.412 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.694 -1.138 13.372 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.583 -3.379 12.664 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.323 -2.963 14.346 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.621 -4.491 14.109 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.748 -3.054 13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.785 -3.625 11.355 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.261 -4.559 11.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.351 -5.987 11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.024 -6.280 12.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.594 -5.375 12.545 1.00 0.00 H new ATOM 626 N ILE A 76 4.515 1.159 11.124 1.00 0.00 N ATOM 627 CA ILE A 76 3.865 2.428 10.821 1.00 0.00 C ATOM 628 C ILE A 76 3.814 2.674 9.317 1.00 0.00 C ATOM 629 O ILE A 76 2.972 3.428 8.830 1.00 0.00 O ATOM 630 CB ILE A 76 4.589 3.607 11.498 1.00 0.00 C ATOM 631 CG1 ILE A 76 4.707 3.364 13.004 1.00 0.00 C ATOM 632 CG2 ILE A 76 3.853 4.910 11.222 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.388 3.464 13.738 1.00 0.00 C ATOM 0 H ILE A 76 5.509 1.235 11.338 1.00 0.00 H new ATOM 0 HA ILE A 76 2.849 2.363 11.211 1.00 0.00 H new ATOM 0 HB ILE A 76 5.593 3.685 11.082 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.133 2.375 13.172 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.404 4.087 13.427 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.377 5.734 11.707 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.816 5.086 10.147 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.838 4.845 11.614 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.548 3.280 14.800 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.970 4.461 13.601 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.694 2.722 13.342 1.00 0.00 H new ATOM 645 N GLU A 77 4.719 2.031 8.587 1.00 0.00 N ATOM 646 CA GLU A 77 4.776 2.180 7.137 1.00 0.00 C ATOM 647 C GLU A 77 3.373 2.280 6.545 1.00 0.00 C ATOM 648 O GLU A 77 3.152 2.988 5.563 1.00 0.00 O ATOM 649 CB GLU A 77 5.523 1.001 6.510 1.00 0.00 C ATOM 650 CG GLU A 77 4.784 -0.321 6.630 1.00 0.00 C ATOM 651 CD GLU A 77 5.591 -1.491 6.101 1.00 0.00 C ATOM 652 OE1 GLU A 77 6.358 -1.293 5.136 1.00 0.00 O ATOM 653 OE2 GLU A 77 5.455 -2.603 6.652 1.00 0.00 O ATOM 0 H GLU A 77 5.422 1.402 8.975 1.00 0.00 H new ATOM 0 HA GLU A 77 5.313 3.102 6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.701 1.214 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.499 0.906 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.535 -0.500 7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.843 -0.258 6.084 1.00 0.00 H new ATOM 660 N ARG A 78 2.430 1.566 7.151 1.00 0.00 N ATOM 661 CA ARG A 78 1.049 1.572 6.683 1.00 0.00 C ATOM 662 C ARG A 78 0.489 2.992 6.661 1.00 0.00 C ATOM 663 O ARG A 78 0.193 3.536 5.598 1.00 0.00 O ATOM 664 CB ARG A 78 0.181 0.685 7.577 1.00 0.00 C ATOM 665 CG ARG A 78 -1.048 0.129 6.876 1.00 0.00 C ATOM 666 CD ARG A 78 -0.744 -1.188 6.180 1.00 0.00 C ATOM 667 NE ARG A 78 -0.940 -2.333 7.065 1.00 0.00 N ATOM 668 CZ ARG A 78 -1.200 -3.562 6.632 1.00 0.00 C ATOM 669 NH1 ARG A 78 -1.294 -3.803 5.332 1.00 0.00 N ATOM 670 NH2 ARG A 78 -1.365 -4.551 7.500 1.00 0.00 N ATOM 0 H ARG A 78 2.597 0.976 7.966 1.00 0.00 H new ATOM 0 HA ARG A 78 1.034 1.177 5.667 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.784 -0.144 7.947 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.137 1.260 8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.847 -0.018 7.602 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.410 0.853 6.146 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.386 -1.292 5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.285 -1.179 5.821 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.874 -2.181 8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.167 -3.044 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.494 -4.747 5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.292 -4.369 8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.565 -5.494 7.167 1.00 0.00 H new ATOM 684 N SER A 79 0.346 3.585 7.842 1.00 0.00 N ATOM 685 CA SER A 79 -0.182 4.939 7.959 1.00 0.00 C ATOM 686 C SER A 79 0.568 5.896 7.037 1.00 0.00 C ATOM 687 O SER A 79 -0.041 6.634 6.263 1.00 0.00 O ATOM 688 CB SER A 79 -0.084 5.424 9.406 1.00 0.00 C ATOM 689 OG SER A 79 -0.926 4.665 10.257 1.00 0.00 O ATOM 0 H SER A 79 0.589 3.149 8.732 1.00 0.00 H new ATOM 0 HA SER A 79 -1.230 4.921 7.660 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.948 5.349 9.749 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.362 6.477 9.460 1.00 0.00 H new ATOM 0 HG SER A 79 -0.844 4.994 11.177 1.00 0.00 H new ATOM 695 N ILE A 80 1.893 5.876 7.127 1.00 0.00 N ATOM 696 CA ILE A 80 2.727 6.741 6.302 1.00 0.00 C ATOM 697 C ILE A 80 2.461 6.509 4.819 1.00 0.00 C ATOM 698 O ILE A 80 1.935 7.382 4.127 1.00 0.00 O ATOM 699 CB ILE A 80 4.225 6.516 6.584 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.542 6.824 8.049 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.073 7.376 5.661 1.00 0.00 C ATOM 702 CD1 ILE A 80 5.837 6.208 8.530 1.00 0.00 C ATOM 0 H ILE A 80 2.412 5.270 7.763 1.00 0.00 H new ATOM 0 HA ILE A 80 2.467 7.768 6.560 1.00 0.00 H new ATOM 0 HB ILE A 80 4.462 5.470 6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.592 7.905 8.182 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.724 6.464 8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.129 7.206 5.873 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.864 7.113 4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.836 8.427 5.823 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.997 6.468 9.576 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.784 5.124 8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.665 6.588 7.931 1.00 0.00 H new ATOM 714 N LEU A 81 2.825 5.326 4.336 1.00 0.00 N ATOM 715 CA LEU A 81 2.623 4.977 2.934 1.00 0.00 C ATOM 716 C LEU A 81 1.217 5.351 2.476 1.00 0.00 C ATOM 717 O LEU A 81 1.043 6.038 1.469 1.00 0.00 O ATOM 718 CB LEU A 81 2.860 3.481 2.722 1.00 0.00 C ATOM 719 CG LEU A 81 2.401 2.913 1.378 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.015 3.698 0.229 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.762 1.438 1.271 1.00 0.00 C ATOM 0 H LEU A 81 3.261 4.592 4.894 1.00 0.00 H new ATOM 0 HA LEU A 81 3.341 5.541 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.926 3.283 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.351 2.936 3.517 1.00 0.00 H new ATOM 0 HG LEU A 81 1.317 3.007 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.677 3.280 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.707 4.741 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.102 3.636 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.428 1.051 0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.843 1.321 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.274 0.885 2.074 1.00 0.00 H new ATOM 733 N HIS A 82 0.216 4.897 3.224 1.00 0.00 N ATOM 734 CA HIS A 82 -1.175 5.187 2.897 1.00 0.00 C ATOM 735 C HIS A 82 -1.368 6.673 2.612 1.00 0.00 C ATOM 736 O HIS A 82 -2.048 7.049 1.657 1.00 0.00 O ATOM 737 CB HIS A 82 -2.092 4.752 4.041 1.00 0.00 C ATOM 738 CG HIS A 82 -2.596 3.348 3.904 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.854 3.043 3.429 1.00 0.00 N ATOM 740 CD2 HIS A 82 -2.002 2.163 4.181 1.00 0.00 C ATOM 741 CE1 HIS A 82 -4.013 1.732 3.421 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.904 1.174 3.873 1.00 0.00 N ATOM 0 H HIS A 82 0.343 4.327 4.060 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.435 4.626 1.999 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.553 4.845 4.984 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.943 5.431 4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.005 2.022 4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.899 1.205 3.099 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.744 0.172 3.976 1.00 0.00 H new ATOM 750 N ASP A 83 -0.767 7.513 3.447 1.00 0.00 N ATOM 751 CA ASP A 83 -0.872 8.959 3.285 1.00 0.00 C ATOM 752 C ASP A 83 -0.337 9.394 1.924 1.00 0.00 C ATOM 753 O ASP A 83 -0.985 10.152 1.203 1.00 0.00 O ATOM 754 CB ASP A 83 -0.110 9.676 4.400 1.00 0.00 C ATOM 755 CG ASP A 83 -0.299 11.179 4.357 1.00 0.00 C ATOM 756 OD1 ASP A 83 -0.545 11.715 3.256 1.00 0.00 O ATOM 757 OD2 ASP A 83 -0.201 11.821 5.424 1.00 0.00 O ATOM 0 H ASP A 83 -0.202 7.218 4.243 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.926 9.230 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.445 9.298 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.952 9.444 4.318 1.00 0.00 H new ATOM 762 N VAL A 84 0.852 8.909 1.580 1.00 0.00 N ATOM 763 CA VAL A 84 1.476 9.247 0.306 1.00 0.00 C ATOM 764 C VAL A 84 0.608 8.803 -0.866 1.00 0.00 C ATOM 765 O VAL A 84 0.567 9.459 -1.907 1.00 0.00 O ATOM 766 CB VAL A 84 2.868 8.601 0.173 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.462 8.889 -1.197 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.790 9.094 1.278 1.00 0.00 C ATOM 0 H VAL A 84 1.402 8.281 2.166 1.00 0.00 H new ATOM 0 HA VAL A 84 1.584 10.331 0.285 1.00 0.00 H new ATOM 0 HB VAL A 84 2.760 7.521 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.445 8.425 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.809 8.483 -1.969 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.558 9.966 -1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.769 8.628 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.894 10.177 1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.368 8.831 2.248 1.00 0.00 H new ATOM 778 N VAL A 85 -0.087 7.683 -0.690 1.00 0.00 N ATOM 779 CA VAL A 85 -0.956 7.151 -1.732 1.00 0.00 C ATOM 780 C VAL A 85 -2.180 8.038 -1.932 1.00 0.00 C ATOM 781 O VAL A 85 -2.410 8.556 -3.024 1.00 0.00 O ATOM 782 CB VAL A 85 -1.421 5.721 -1.399 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.362 5.201 -2.475 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.224 4.797 -1.234 1.00 0.00 C ATOM 0 H VAL A 85 -0.065 7.127 0.165 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.372 7.130 -2.652 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.965 5.745 -0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.680 4.189 -2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.235 5.850 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.846 5.190 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.571 3.791 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.350 4.776 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.408 5.161 -0.424 1.00 0.00 H new ATOM 794 N GLU A 86 -2.962 8.207 -0.871 1.00 0.00 N ATOM 795 CA GLU A 86 -4.163 9.031 -0.931 1.00 0.00 C ATOM 796 C GLU A 86 -3.864 10.383 -1.572 1.00 0.00 C ATOM 797 O GLU A 86 -4.689 10.934 -2.301 1.00 0.00 O ATOM 798 CB GLU A 86 -4.739 9.236 0.472 1.00 0.00 C ATOM 799 CG GLU A 86 -4.142 10.425 1.207 1.00 0.00 C ATOM 800 CD GLU A 86 -4.907 11.710 0.956 1.00 0.00 C ATOM 801 OE1 GLU A 86 -6.037 11.636 0.431 1.00 0.00 O ATOM 802 OE2 GLU A 86 -4.374 12.790 1.285 1.00 0.00 O ATOM 0 H GLU A 86 -2.785 7.784 0.040 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.898 8.511 -1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.818 9.371 0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.571 8.334 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.130 10.217 2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.106 10.557 0.896 1.00 0.00 H new ATOM 809 N VAL A 87 -2.677 10.913 -1.295 1.00 0.00 N ATOM 810 CA VAL A 87 -2.267 12.200 -1.844 1.00 0.00 C ATOM 811 C VAL A 87 -2.004 12.099 -3.343 1.00 0.00 C ATOM 812 O VAL A 87 -2.384 12.982 -4.111 1.00 0.00 O ATOM 813 CB VAL A 87 -1.000 12.730 -1.146 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.510 14.001 -1.823 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.269 12.973 0.331 1.00 0.00 C ATOM 0 H VAL A 87 -1.982 10.471 -0.693 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.088 12.896 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.217 11.977 -1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.386 14.361 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.277 13.791 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.287 14.764 -1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.364 13.347 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.067 13.708 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.570 12.038 0.805 1.00 0.00 H new ATOM 825 N ALA A 88 -1.350 11.017 -3.751 1.00 0.00 N ATOM 826 CA ALA A 88 -1.038 10.799 -5.159 1.00 0.00 C ATOM 827 C ALA A 88 -2.309 10.614 -5.981 1.00 0.00 C ATOM 828 O ALA A 88 -2.378 11.028 -7.137 1.00 0.00 O ATOM 829 CB ALA A 88 -0.125 9.591 -5.316 1.00 0.00 C ATOM 0 H ALA A 88 -1.026 10.278 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.521 11.683 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.100 9.440 -6.372 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.802 9.762 -4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.622 8.705 -4.920 1.00 0.00 H new ATOM 835 N GLY A 89 -3.314 9.987 -5.375 1.00 0.00 N ATOM 836 CA GLY A 89 -4.569 9.758 -6.067 1.00 0.00 C ATOM 837 C GLY A 89 -4.766 8.303 -6.443 1.00 0.00 C ATOM 838 O GLY A 89 -5.293 7.996 -7.513 1.00 0.00 O ATOM 0 H GLY A 89 -3.281 9.634 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.394 10.081 -5.433 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.601 10.371 -6.968 1.00 0.00 H new ATOM 842 N LEU A 90 -4.343 7.404 -5.562 1.00 0.00 N ATOM 843 CA LEU A 90 -4.474 5.971 -5.807 1.00 0.00 C ATOM 844 C LEU A 90 -5.174 5.281 -4.640 1.00 0.00 C ATOM 845 O LEU A 90 -5.271 5.835 -3.544 1.00 0.00 O ATOM 846 CB LEU A 90 -3.097 5.344 -6.033 1.00 0.00 C ATOM 847 CG LEU A 90 -2.386 5.737 -7.328 1.00 0.00 C ATOM 848 CD1 LEU A 90 -0.944 5.252 -7.313 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.126 5.176 -8.534 1.00 0.00 C ATOM 0 H LEU A 90 -3.906 7.641 -4.671 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.080 5.834 -6.703 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.455 5.612 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.206 4.260 -6.017 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.382 6.824 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.453 5.541 -8.243 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.418 5.701 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.926 4.167 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.606 5.466 -9.447 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.161 4.089 -8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.142 5.571 -8.554 1.00 0.00 H new ATOM 861 N THR A 91 -5.660 4.068 -4.882 1.00 0.00 N ATOM 862 CA THR A 91 -6.350 3.301 -3.853 1.00 0.00 C ATOM 863 C THR A 91 -5.360 2.554 -2.967 1.00 0.00 C ATOM 864 O THR A 91 -4.309 2.111 -3.432 1.00 0.00 O ATOM 865 CB THR A 91 -7.334 2.290 -4.470 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.216 2.957 -5.379 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.145 1.594 -3.388 1.00 0.00 C ATOM 0 H THR A 91 -5.588 3.595 -5.783 1.00 0.00 H new ATOM 0 HA THR A 91 -6.908 4.016 -3.248 1.00 0.00 H new ATOM 0 HB THR A 91 -6.757 1.539 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.078 2.492 -5.399 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.833 0.885 -3.848 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.473 1.062 -2.715 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.712 2.335 -2.824 1.00 0.00 H new ATOM 875 N SER A 92 -5.701 2.416 -1.690 1.00 0.00 N ATOM 876 CA SER A 92 -4.840 1.724 -0.739 1.00 0.00 C ATOM 877 C SER A 92 -5.653 0.783 0.145 1.00 0.00 C ATOM 878 O SER A 92 -6.815 1.049 0.451 1.00 0.00 O ATOM 879 CB SER A 92 -4.088 2.735 0.129 1.00 0.00 C ATOM 880 OG SER A 92 -4.980 3.667 0.715 1.00 0.00 O ATOM 0 H SER A 92 -6.568 2.775 -1.290 1.00 0.00 H new ATOM 0 HA SER A 92 -4.119 1.132 -1.303 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.540 2.210 0.911 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.352 3.263 -0.477 1.00 0.00 H new ATOM 0 HG SER A 92 -4.840 3.688 1.685 1.00 0.00 H new ATOM 886 N PHE A 93 -5.032 -0.320 0.552 1.00 0.00 N ATOM 887 CA PHE A 93 -5.697 -1.302 1.400 1.00 0.00 C ATOM 888 C PHE A 93 -4.678 -2.204 2.090 1.00 0.00 C ATOM 889 O PHE A 93 -3.500 -2.216 1.731 1.00 0.00 O ATOM 890 CB PHE A 93 -6.666 -2.149 0.572 1.00 0.00 C ATOM 891 CG PHE A 93 -7.973 -1.464 0.292 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.890 -1.251 1.309 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.285 -1.033 -0.987 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.093 -0.621 1.054 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.487 -0.403 -1.248 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.392 -0.196 -0.225 1.00 0.00 C ATOM 0 H PHE A 93 -4.070 -0.556 0.308 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.257 -0.764 2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.191 -2.409 -0.374 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.860 -3.083 1.099 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.662 -1.581 2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.580 -1.191 -1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.799 -0.461 1.855 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.718 -0.073 -2.250 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.332 0.297 -0.425 1.00 0.00 H new ATOM 906 N SER A 94 -5.139 -2.957 3.083 1.00 0.00 N ATOM 907 CA SER A 94 -4.267 -3.859 3.827 1.00 0.00 C ATOM 908 C SER A 94 -4.741 -5.304 3.696 1.00 0.00 C ATOM 909 O SER A 94 -5.911 -5.609 3.925 1.00 0.00 O ATOM 910 CB SER A 94 -4.223 -3.457 5.302 1.00 0.00 C ATOM 911 OG SER A 94 -5.498 -3.591 5.906 1.00 0.00 O ATOM 0 H SER A 94 -6.111 -2.961 3.391 1.00 0.00 H new ATOM 0 HA SER A 94 -3.264 -3.784 3.407 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.500 -4.079 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.882 -2.426 5.391 1.00 0.00 H new ATOM 0 HG SER A 94 -6.049 -4.202 5.374 1.00 0.00 H new ATOM 917 N PHE A 95 -3.822 -6.189 3.325 1.00 0.00 N ATOM 918 CA PHE A 95 -4.144 -7.602 3.161 1.00 0.00 C ATOM 919 C PHE A 95 -2.988 -8.481 3.629 1.00 0.00 C ATOM 920 O PHE A 95 -1.860 -8.345 3.157 1.00 0.00 O ATOM 921 CB PHE A 95 -4.472 -7.906 1.698 1.00 0.00 C ATOM 922 CG PHE A 95 -5.523 -7.004 1.119 1.00 0.00 C ATOM 923 CD1 PHE A 95 -6.863 -7.203 1.411 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.172 -5.955 0.284 1.00 0.00 C ATOM 925 CE1 PHE A 95 -7.833 -6.374 0.879 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.137 -5.123 -0.251 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.469 -5.332 0.048 1.00 0.00 C ATOM 0 H PHE A 95 -2.849 -5.953 3.132 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.017 -7.824 3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.562 -7.818 1.104 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.807 -8.940 1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.153 -8.015 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.132 -5.786 0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.874 -6.541 1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.850 -4.310 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.225 -4.682 -0.367 1.00 0.00 H new ATOM 937 N GLY A 96 -3.277 -9.384 4.561 1.00 0.00 N ATOM 938 CA GLY A 96 -2.252 -10.272 5.078 1.00 0.00 C ATOM 939 C GLY A 96 -2.747 -11.695 5.242 1.00 0.00 C ATOM 940 O GLY A 96 -3.870 -11.920 5.692 1.00 0.00 O ATOM 0 H GLY A 96 -4.203 -9.516 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.395 -10.264 4.404 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.904 -9.898 6.041 1.00 0.00 H new ATOM 944 N GLU A 97 -1.908 -12.658 4.875 1.00 0.00 N ATOM 945 CA GLU A 97 -2.268 -14.067 4.982 1.00 0.00 C ATOM 946 C GLU A 97 -2.170 -14.545 6.428 1.00 0.00 C ATOM 947 O GLU A 97 -3.057 -15.238 6.925 1.00 0.00 O ATOM 948 CB GLU A 97 -1.362 -14.917 4.089 1.00 0.00 C ATOM 949 CG GLU A 97 -1.876 -15.066 2.667 1.00 0.00 C ATOM 950 CD GLU A 97 -1.791 -13.774 1.877 1.00 0.00 C ATOM 951 OE1 GLU A 97 -0.839 -13.000 2.106 1.00 0.00 O ATOM 952 OE2 GLU A 97 -2.678 -13.538 1.030 1.00 0.00 O ATOM 0 H GLU A 97 -0.974 -12.488 4.501 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.300 -14.178 4.650 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.369 -14.469 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.254 -15.907 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.301 -15.838 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.912 -15.404 2.693 1.00 0.00 H new ATOM 959 N ASP A 98 -1.084 -14.171 7.095 1.00 0.00 N ATOM 960 CA ASP A 98 -0.868 -14.561 8.484 1.00 0.00 C ATOM 961 C ASP A 98 -0.809 -13.335 9.390 1.00 0.00 C ATOM 962 O ASP A 98 -0.224 -12.313 9.030 1.00 0.00 O ATOM 963 CB ASP A 98 0.423 -15.369 8.614 1.00 0.00 C ATOM 964 CG ASP A 98 0.730 -15.743 10.051 1.00 0.00 C ATOM 965 OD1 ASP A 98 -0.165 -16.296 10.724 1.00 0.00 O ATOM 966 OD2 ASP A 98 1.864 -15.482 10.504 1.00 0.00 O ATOM 0 H ASP A 98 -0.340 -13.598 6.697 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.708 -15.181 8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.342 -16.276 8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 98 1.253 -14.791 8.207 1.00 0.00 H new ATOM 971 N ASP A 99 -1.419 -13.443 10.565 1.00 0.00 N ATOM 972 CA ASP A 99 -1.436 -12.343 11.522 1.00 0.00 C ATOM 973 C ASP A 99 -0.068 -11.671 11.602 1.00 0.00 C ATOM 974 O ASP A 99 0.037 -10.447 11.534 1.00 0.00 O ATOM 975 CB ASP A 99 -1.851 -12.849 12.905 1.00 0.00 C ATOM 976 CG ASP A 99 -0.757 -13.653 13.579 1.00 0.00 C ATOM 977 OD1 ASP A 99 -0.227 -14.587 12.941 1.00 0.00 O ATOM 978 OD2 ASP A 99 -0.430 -13.349 14.745 1.00 0.00 O ATOM 0 H ASP A 99 -1.908 -14.281 10.878 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.163 -11.607 11.179 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.115 -12.000 13.535 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.745 -13.465 12.810 1.00 0.00 H new ATOM 983 N ASP A 100 0.975 -12.480 11.747 1.00 0.00 N ATOM 984 CA ASP A 100 2.336 -11.965 11.836 1.00 0.00 C ATOM 985 C ASP A 100 2.754 -11.304 10.525 1.00 0.00 C ATOM 986 O ASP A 100 3.376 -10.242 10.525 1.00 0.00 O ATOM 987 CB ASP A 100 3.309 -13.091 12.186 1.00 0.00 C ATOM 988 CG ASP A 100 3.328 -13.399 13.671 1.00 0.00 C ATOM 989 OD1 ASP A 100 2.245 -13.655 14.236 1.00 0.00 O ATOM 990 OD2 ASP A 100 4.425 -13.383 14.267 1.00 0.00 O ATOM 0 H ASP A 100 0.904 -13.496 11.805 1.00 0.00 H new ATOM 0 HA ASP A 100 2.363 -11.214 12.626 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.033 -13.990 11.635 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.312 -12.814 11.862 1.00 0.00 H new ATOM 995 N CYS A 101 2.408 -11.941 9.412 1.00 0.00 N ATOM 996 CA CYS A 101 2.749 -11.416 8.094 1.00 0.00 C ATOM 997 C CYS A 101 1.631 -10.528 7.557 1.00 0.00 C ATOM 998 O CYS A 101 0.573 -11.017 7.160 1.00 0.00 O ATOM 999 CB CYS A 101 3.019 -12.563 7.120 1.00 0.00 C ATOM 1000 SG CYS A 101 3.570 -12.028 5.483 1.00 0.00 S ATOM 0 H CYS A 101 1.892 -12.821 9.395 1.00 0.00 H new ATOM 0 HA CYS A 101 3.652 -10.813 8.192 1.00 0.00 H new ATOM 0 HB2 CYS A 101 3.776 -13.220 7.550 1.00 0.00 H new ATOM 0 HB3 CYS A 101 2.110 -13.154 7.010 1.00 0.00 H new ATOM 0 HG CYS A 101 3.774 -13.069 4.732 1.00 0.00 H new ATOM 1006 N ARG A 102 1.873 -9.221 7.549 1.00 0.00 N ATOM 1007 CA ARG A 102 0.886 -8.265 7.063 1.00 0.00 C ATOM 1008 C ARG A 102 1.527 -7.255 6.116 1.00 0.00 C ATOM 1009 O ARG A 102 2.293 -6.390 6.542 1.00 0.00 O ATOM 1010 CB ARG A 102 0.230 -7.535 8.237 1.00 0.00 C ATOM 1011 CG ARG A 102 -0.842 -8.352 8.940 1.00 0.00 C ATOM 1012 CD ARG A 102 -1.920 -7.460 9.535 1.00 0.00 C ATOM 1013 NE ARG A 102 -1.504 -6.872 10.805 1.00 0.00 N ATOM 1014 CZ ARG A 102 -1.616 -7.493 11.974 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -2.127 -8.715 12.033 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -1.215 -6.892 13.087 1.00 0.00 N ATOM 0 H ARG A 102 2.744 -8.800 7.873 1.00 0.00 H new ATOM 0 HA ARG A 102 0.122 -8.817 6.515 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.999 -7.262 8.960 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.212 -6.606 7.875 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.293 -9.048 8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.386 -8.950 9.729 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.163 -6.665 8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.830 -8.042 9.685 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.106 -5.933 10.794 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -2.435 -9.181 11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.212 -9.189 12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.820 -5.952 13.045 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.301 -7.370 13.984 1.00 0.00 H new ATOM 1030 N TYR A 103 1.210 -7.371 4.832 1.00 0.00 N ATOM 1031 CA TYR A 103 1.757 -6.470 3.824 1.00 0.00 C ATOM 1032 C TYR A 103 0.691 -5.499 3.325 1.00 0.00 C ATOM 1033 O TYR A 103 -0.504 -5.785 3.388 1.00 0.00 O ATOM 1034 CB TYR A 103 2.325 -7.269 2.650 1.00 0.00 C ATOM 1035 CG TYR A 103 1.291 -8.105 1.929 1.00 0.00 C ATOM 1036 CD1 TYR A 103 0.242 -7.507 1.244 1.00 0.00 C ATOM 1037 CD2 TYR A 103 1.366 -9.492 1.933 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -0.706 -8.266 0.584 1.00 0.00 C ATOM 1039 CE2 TYR A 103 0.424 -10.259 1.275 1.00 0.00 C ATOM 1040 CZ TYR A 103 -0.610 -9.642 0.603 1.00 0.00 C ATOM 1041 OH TYR A 103 -1.551 -10.402 -0.054 1.00 0.00 O ATOM 0 H TYR A 103 0.577 -8.081 4.464 1.00 0.00 H new ATOM 0 HA TYR A 103 2.560 -5.894 4.285 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.782 -6.580 1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 103 3.117 -7.922 3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.165 -6.430 1.227 1.00 0.00 H new ATOM 0 HD2 TYR A 103 2.174 -9.979 2.459 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.517 -7.785 0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 103 0.497 -11.336 1.287 1.00 0.00 H new ATOM 0 HH TYR A 103 -1.339 -11.352 0.056 1.00 0.00 H new ATOM 1051 N VAL A 104 1.135 -4.349 2.827 1.00 0.00 N ATOM 1052 CA VAL A 104 0.221 -3.335 2.315 1.00 0.00 C ATOM 1053 C VAL A 104 0.186 -3.347 0.790 1.00 0.00 C ATOM 1054 O VAL A 104 1.227 -3.405 0.136 1.00 0.00 O ATOM 1055 CB VAL A 104 0.617 -1.927 2.797 1.00 0.00 C ATOM 1056 CG1 VAL A 104 2.003 -1.559 2.290 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.413 -0.902 2.350 1.00 0.00 C ATOM 0 H VAL A 104 2.121 -4.097 2.767 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.769 -3.578 2.701 1.00 0.00 H new ATOM 0 HB VAL A 104 0.644 -1.929 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.266 -0.561 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.731 -2.279 2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.007 -1.573 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.117 0.087 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.475 -0.899 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.386 -1.158 2.768 1.00 0.00 H new ATOM 1067 N MET A 105 -1.018 -3.291 0.231 1.00 0.00 N ATOM 1068 CA MET A 105 -1.188 -3.293 -1.217 1.00 0.00 C ATOM 1069 C MET A 105 -1.883 -2.019 -1.685 1.00 0.00 C ATOM 1070 O MET A 105 -2.479 -1.297 -0.885 1.00 0.00 O ATOM 1071 CB MET A 105 -1.994 -4.518 -1.656 1.00 0.00 C ATOM 1072 CG MET A 105 -1.159 -5.781 -1.783 1.00 0.00 C ATOM 1073 SD MET A 105 -2.073 -7.147 -2.525 1.00 0.00 S ATOM 1074 CE MET A 105 -2.140 -6.619 -4.235 1.00 0.00 C ATOM 0 H MET A 105 -1.890 -3.244 0.758 1.00 0.00 H new ATOM 0 HA MET A 105 -0.199 -3.335 -1.673 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.795 -4.692 -0.937 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.467 -4.307 -2.615 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.277 -5.569 -2.387 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.806 -6.079 -0.796 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.180 -6.530 -4.548 1.00 0.00 H new ATOM 0 HE2 MET A 105 -1.646 -5.653 -4.337 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.634 -7.353 -4.862 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.803 -1.748 -2.983 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.425 -0.561 -3.556 1.00 0.00 C ATOM 1086 C ILE A 106 -3.054 -0.870 -4.910 1.00 0.00 C ATOM 1087 O ILE A 106 -2.562 -1.714 -5.658 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.408 0.582 -3.724 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.325 0.187 -4.730 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.787 0.940 -2.382 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.268 1.364 -5.473 1.00 0.00 C ATOM 0 H ILE A 106 -1.313 -2.335 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.202 -0.245 -2.860 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.930 1.459 -4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.472 -0.340 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.748 -0.512 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.070 1.750 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.569 1.259 -1.693 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.277 0.068 -1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.028 1.009 -6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.518 1.879 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.721 2.053 -4.760 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.146 -0.177 -5.221 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.843 -0.376 -6.487 1.00 0.00 C ATOM 1105 C PHE A 107 -5.064 0.954 -7.200 1.00 0.00 C ATOM 1106 O PHE A 107 -4.940 2.022 -6.601 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.185 -1.071 -6.250 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.052 -2.505 -5.824 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.396 -2.834 -4.649 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.582 -3.524 -6.599 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.271 -4.153 -4.256 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.461 -4.845 -6.211 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.805 -5.160 -5.037 1.00 0.00 C ATOM 0 H PHE A 107 -4.567 0.527 -4.614 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.222 -1.009 -7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.738 -0.524 -5.487 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.775 -1.026 -7.165 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.978 -2.051 -4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.096 -3.283 -7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.756 -4.397 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.879 -5.630 -6.825 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.710 -6.191 -4.730 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.392 0.881 -8.486 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.631 2.078 -9.284 1.00 0.00 C ATOM 1125 C LYS A 108 -7.088 2.519 -9.179 1.00 0.00 C ATOM 1126 O LYS A 108 -7.933 1.788 -8.663 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.270 1.820 -10.748 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.809 2.084 -11.069 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.605 2.371 -12.548 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.344 3.185 -12.790 1.00 0.00 C ATOM 1131 NZ LYS A 108 -1.900 3.112 -14.209 1.00 0.00 N ATOM 0 H LYS A 108 -5.498 0.005 -8.998 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.999 2.876 -8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.506 0.785 -10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.893 2.450 -11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.454 2.930 -10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.210 1.221 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.543 1.431 -13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.468 2.911 -12.937 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.526 4.225 -12.520 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.547 2.822 -12.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.930 2.739 -14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.536 2.483 -14.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -1.923 4.063 -14.629 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.375 3.718 -9.673 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.730 4.256 -9.638 1.00 0.00 C ATOM 1147 C LYS A 109 -9.700 3.338 -10.375 1.00 0.00 C ATOM 1148 O LYS A 109 -10.667 2.848 -9.793 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.762 5.654 -10.261 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.161 6.230 -10.392 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.581 6.967 -9.131 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.552 8.095 -9.442 1.00 0.00 C ATOM 1153 NZ LYS A 109 -11.509 9.166 -8.408 1.00 0.00 N ATOM 0 H LYS A 109 -6.687 4.336 -10.103 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.041 4.322 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.157 6.327 -9.654 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.301 5.613 -11.248 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.197 6.912 -11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.868 5.427 -10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.045 6.267 -8.437 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.699 7.371 -8.634 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.313 8.521 -10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.564 7.695 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.185 9.916 -8.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.762 8.765 -7.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.550 9.566 -8.362 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.432 3.107 -11.656 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.281 2.246 -12.471 1.00 0.00 C ATOM 1169 C GLU A 110 -10.172 0.792 -12.021 1.00 0.00 C ATOM 1170 O GLU A 110 -11.169 0.072 -11.965 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.899 2.365 -13.948 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.300 3.689 -14.575 1.00 0.00 C ATOM 1173 CD GLU A 110 -11.802 3.900 -14.583 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -12.367 4.173 -13.503 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -12.411 3.792 -15.667 1.00 0.00 O ATOM 0 H GLU A 110 -8.634 3.504 -12.152 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.313 2.571 -12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.821 2.237 -14.047 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.369 1.553 -14.503 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.825 4.504 -14.029 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.926 3.730 -15.598 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.954 0.367 -11.703 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.713 -1.001 -11.260 1.00 0.00 C ATOM 1184 C PHE A 111 -8.958 -1.138 -9.760 1.00 0.00 C ATOM 1185 O PHE A 111 -8.507 -2.095 -9.131 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.281 -1.423 -11.595 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.910 -1.198 -13.033 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -6.479 0.046 -13.464 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -6.994 -2.230 -13.953 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -6.137 0.257 -14.786 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -6.652 -2.025 -15.277 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.225 -0.780 -15.694 1.00 0.00 C ATOM 0 H PHE A 111 -8.118 0.950 -11.744 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.409 -1.655 -11.785 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.590 -0.870 -10.959 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.157 -2.480 -11.357 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.409 0.861 -12.758 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -7.330 -3.205 -13.633 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.801 1.231 -15.109 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -6.719 -2.838 -15.984 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.960 -0.617 -16.728 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.675 -0.174 -9.193 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.982 -0.187 -7.768 1.00 0.00 C ATOM 1204 C ALA A 112 -10.970 -1.297 -7.429 1.00 0.00 C ATOM 1205 O ALA A 112 -11.919 -1.563 -8.167 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.533 1.163 -7.334 1.00 0.00 C ATOM 0 H ALA A 112 -10.054 0.626 -9.699 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.057 -0.381 -7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.758 1.138 -6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.793 1.938 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.444 1.381 -7.892 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.745 -1.963 -6.287 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.605 -3.057 -5.825 1.00 0.00 C ATOM 1214 C PRO A 113 -12.979 -2.565 -5.382 1.00 0.00 C ATOM 1215 O PRO A 113 -13.155 -1.389 -5.064 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.835 -3.636 -4.635 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.995 -2.508 -4.143 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.633 -1.700 -5.358 1.00 0.00 C ATOM 0 HA PRO A 113 -11.803 -3.782 -6.615 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.513 -3.992 -3.860 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.221 -4.485 -4.936 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.541 -1.902 -3.420 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.102 -2.878 -3.640 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.547 -0.639 -5.124 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.677 -2.012 -5.778 1.00 0.00 H new ATOM 1226 N SER A 114 -13.949 -3.474 -5.362 1.00 0.00 N ATOM 1227 CA SER A 114 -15.309 -3.131 -4.961 1.00 0.00 C ATOM 1228 C SER A 114 -15.530 -3.432 -3.482 1.00 0.00 C ATOM 1229 O SER A 114 -14.749 -4.151 -2.859 1.00 0.00 O ATOM 1230 CB SER A 114 -16.323 -3.903 -5.808 1.00 0.00 C ATOM 1231 OG SER A 114 -16.600 -3.221 -7.018 1.00 0.00 O ATOM 0 H SER A 114 -13.819 -4.453 -5.618 1.00 0.00 H new ATOM 0 HA SER A 114 -15.451 -2.062 -5.122 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.936 -4.898 -6.028 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.246 -4.038 -5.243 1.00 0.00 H new ATOM 0 HG SER A 114 -17.249 -3.735 -7.542 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.601 -2.877 -2.926 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.928 -3.085 -1.520 1.00 0.00 C ATOM 1239 C ASP A 115 -17.064 -4.573 -1.209 1.00 0.00 C ATOM 1240 O ASP A 115 -16.252 -5.140 -0.479 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.224 -2.356 -1.162 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.002 -0.883 -0.884 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.521 -0.553 0.221 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -18.307 -0.059 -1.771 1.00 0.00 O ATOM 0 H ASP A 115 -17.258 -2.279 -3.428 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.114 -2.679 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.936 -2.465 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.671 -2.825 -0.285 1.00 0.00 H new ATOM 1249 N GLU A 116 -18.097 -5.197 -1.766 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.339 -6.618 -1.546 1.00 0.00 C ATOM 1251 C GLU A 116 -17.087 -7.437 -1.847 1.00 0.00 C ATOM 1252 O GLU A 116 -16.699 -8.305 -1.066 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.500 -7.101 -2.418 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.869 -6.802 -1.830 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.034 -7.352 -0.427 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -20.728 -8.545 -0.218 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -21.468 -6.590 0.462 1.00 0.00 O ATOM 0 H GLU A 116 -18.779 -4.741 -2.372 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.599 -6.758 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.425 -6.633 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.406 -8.176 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.026 -5.723 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.638 -7.226 -2.475 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.461 -7.153 -2.985 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.254 -7.864 -3.389 1.00 0.00 C ATOM 1266 C GLU A 117 -14.171 -7.750 -2.320 1.00 0.00 C ATOM 1267 O GLU A 117 -13.526 -8.738 -1.966 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.733 -7.314 -4.719 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.788 -7.260 -5.811 1.00 0.00 C ATOM 1270 CD GLU A 117 -16.281 -8.636 -6.213 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -15.482 -9.594 -6.151 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -17.466 -8.756 -6.590 1.00 0.00 O ATOM 0 H GLU A 117 -16.769 -6.437 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.508 -8.917 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.338 -6.311 -4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.903 -7.933 -5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.632 -6.662 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.376 -6.756 -6.685 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.977 -6.539 -1.810 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.972 -6.295 -0.781 1.00 0.00 C ATOM 1281 C LEU A 118 -13.162 -7.240 0.401 1.00 0.00 C ATOM 1282 O LEU A 118 -12.213 -7.877 0.858 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.044 -4.843 -0.305 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.364 -3.808 -1.201 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -12.808 -2.403 -0.826 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.850 -3.933 -1.108 1.00 0.00 C ATOM 0 H LEU A 118 -14.502 -5.711 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.990 -6.480 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.093 -4.568 -0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.597 -4.785 0.687 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.661 -3.998 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.313 -1.680 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.888 -2.319 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.541 -2.202 0.211 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.383 -3.188 -1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.534 -3.770 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.547 -4.930 -1.427 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.394 -7.327 0.890 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.710 -8.197 2.017 1.00 0.00 C ATOM 1300 C ASP A 119 -14.289 -9.634 1.729 1.00 0.00 C ATOM 1301 O ASP A 119 -13.661 -10.287 2.562 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.207 -8.143 2.327 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.513 -8.499 3.769 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -15.985 -9.522 4.252 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.281 -7.754 4.414 1.00 0.00 O ATOM 0 H ASP A 119 -15.190 -6.806 0.524 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.154 -7.842 2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.583 -7.142 2.115 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.737 -8.829 1.666 1.00 0.00 H new ATOM 1310 N SER A 120 -14.640 -10.122 0.543 1.00 0.00 N ATOM 1311 CA SER A 120 -14.303 -11.484 0.146 1.00 0.00 C ATOM 1312 C SER A 120 -12.794 -11.647 -0.007 1.00 0.00 C ATOM 1313 O SER A 120 -12.221 -12.653 0.412 1.00 0.00 O ATOM 1314 CB SER A 120 -15.002 -11.843 -1.166 1.00 0.00 C ATOM 1315 OG SER A 120 -14.464 -11.105 -2.250 1.00 0.00 O ATOM 0 H SER A 120 -15.158 -9.594 -0.160 1.00 0.00 H new ATOM 0 HA SER A 120 -14.647 -12.160 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.893 -12.910 -1.359 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.070 -11.642 -1.080 1.00 0.00 H new ATOM 0 HG SER A 120 -14.370 -10.165 -1.991 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.156 -10.651 -0.611 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.713 -10.684 -0.823 1.00 0.00 C ATOM 1323 C TYR A 121 -9.981 -11.027 0.471 1.00 0.00 C ATOM 1324 O TYR A 121 -9.148 -11.933 0.504 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.224 -9.337 -1.358 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.332 -9.207 -2.860 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.563 -9.999 -3.703 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.203 -8.290 -3.437 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.658 -9.883 -5.076 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.305 -8.169 -4.809 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.531 -8.967 -5.625 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.629 -8.848 -6.992 1.00 0.00 O ATOM 0 H TYR A 121 -12.615 -9.811 -0.963 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.496 -11.459 -1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.800 -8.539 -0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.184 -9.194 -1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.879 -10.718 -3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.810 -7.662 -2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.052 -10.506 -5.717 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.988 -7.453 -5.241 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.290 -8.159 -7.214 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.297 -10.295 1.534 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.670 -10.520 2.830 1.00 0.00 C ATOM 1344 C ARG A 122 -10.071 -11.877 3.401 1.00 0.00 C ATOM 1345 O ARG A 122 -9.240 -12.602 3.949 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.057 -9.409 3.808 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.426 -8.065 3.485 1.00 0.00 C ATOM 1348 CD ARG A 122 -9.995 -6.958 4.357 1.00 0.00 C ATOM 1349 NE ARG A 122 -9.277 -5.698 4.181 1.00 0.00 N ATOM 1350 CZ ARG A 122 -9.706 -4.535 4.657 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -10.844 -4.471 5.335 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -8.997 -3.432 4.456 1.00 0.00 N ATOM 0 H ARG A 122 -10.984 -9.541 1.523 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.589 -10.510 2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.142 -9.300 3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -9.764 -9.705 4.815 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.347 -8.125 3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.595 -7.826 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -11.048 -6.812 4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -9.946 -7.260 5.403 1.00 0.00 H new ATOM 0 HE ARG A 122 -8.398 -5.712 3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -11.392 -5.317 5.492 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -11.171 -3.576 5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -8.121 -3.477 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -9.328 -2.539 4.822 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.350 -12.215 3.268 1.00 0.00 N ATOM 1367 CA ARG A 123 -11.861 -13.484 3.771 1.00 0.00 C ATOM 1368 C ARG A 123 -11.129 -14.658 3.129 1.00 0.00 C ATOM 1369 O ARG A 123 -10.994 -15.723 3.731 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.363 -13.596 3.500 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.206 -12.658 4.349 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.408 -13.207 5.753 1.00 0.00 C ATOM 1373 NE ARG A 123 -14.591 -12.142 6.735 1.00 0.00 N ATOM 1374 CZ ARG A 123 -14.557 -12.340 8.048 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -14.347 -13.556 8.533 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -14.732 -11.321 8.879 1.00 0.00 N ATOM 0 H ARG A 123 -12.051 -11.627 2.816 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.689 -13.516 4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.550 -13.387 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.681 -14.622 3.682 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.723 -11.683 4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -15.175 -12.507 3.873 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -15.278 -13.864 5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.547 -13.814 6.032 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.754 -11.195 6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.211 -14.342 7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -14.321 -13.705 9.542 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -14.893 -10.384 8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -14.706 -11.475 9.887 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.658 -14.456 1.902 1.00 0.00 N ATOM 1391 CA GLY A 124 -9.946 -15.507 1.199 1.00 0.00 C ATOM 1392 C GLY A 124 -10.451 -15.703 -0.217 1.00 0.00 C ATOM 1393 O GLY A 124 -11.460 -16.374 -0.436 1.00 0.00 O ATOM 0 H GLY A 124 -10.757 -13.584 1.383 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.883 -15.266 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.048 -16.442 1.750 1.00 0.00 H new ATOM 1397 N SER A 125 -9.751 -15.114 -1.181 1.00 0.00 N ATOM 1398 CA SER A 125 -10.138 -15.222 -2.582 1.00 0.00 C ATOM 1399 C SER A 125 -9.326 -16.304 -3.288 1.00 0.00 C ATOM 1400 O SER A 125 -8.296 -16.751 -2.785 1.00 0.00 O ATOM 1401 CB SER A 125 -9.946 -13.880 -3.292 1.00 0.00 C ATOM 1402 OG SER A 125 -10.582 -13.877 -4.558 1.00 0.00 O ATOM 0 H SER A 125 -8.912 -14.557 -1.017 1.00 0.00 H new ATOM 0 HA SER A 125 -11.192 -15.498 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A 125 -10.352 -13.078 -2.676 1.00 0.00 H new ATOM 0 HB3 SER A 125 -8.882 -13.680 -3.416 1.00 0.00 H new ATOM 0 HG SER A 125 -10.446 -13.008 -4.990 1.00 0.00 H new ATOM 1408 N GLY A 126 -9.798 -16.720 -4.459 1.00 0.00 N ATOM 1409 CA GLY A 126 -9.105 -17.746 -5.216 1.00 0.00 C ATOM 1410 C GLY A 126 -8.753 -17.293 -6.620 1.00 0.00 C ATOM 1411 O GLY A 126 -9.332 -16.346 -7.152 1.00 0.00 O ATOM 0 H GLY A 126 -10.648 -16.365 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -8.193 -18.028 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -9.730 -18.637 -5.271 1.00 0.00 H new ATOM 1415 N PRO A 127 -7.782 -17.979 -7.241 1.00 0.00 N ATOM 1416 CA PRO A 127 -7.331 -17.659 -8.599 1.00 0.00 C ATOM 1417 C PRO A 127 -8.380 -17.998 -9.653 1.00 0.00 C ATOM 1418 O PRO A 127 -8.136 -17.862 -10.851 1.00 0.00 O ATOM 1419 CB PRO A 127 -6.090 -18.537 -8.777 1.00 0.00 C ATOM 1420 CG PRO A 127 -6.296 -19.678 -7.842 1.00 0.00 C ATOM 1421 CD PRO A 127 -7.049 -19.119 -6.666 1.00 0.00 C ATOM 0 HA PRO A 127 -7.137 -16.594 -8.724 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -5.993 -18.881 -9.807 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -5.179 -17.988 -8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -6.859 -20.479 -8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -5.342 -20.103 -7.529 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -7.726 -19.856 -6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -6.374 -18.803 -5.870 1.00 0.00 H new ATOM 1429 N SER A 128 -9.548 -18.440 -9.197 1.00 0.00 N ATOM 1430 CA SER A 128 -10.633 -18.803 -10.102 1.00 0.00 C ATOM 1431 C SER A 128 -10.264 -20.031 -10.929 1.00 0.00 C ATOM 1432 O SER A 128 -10.473 -20.062 -12.141 1.00 0.00 O ATOM 1433 CB SER A 128 -10.966 -17.632 -11.028 1.00 0.00 C ATOM 1434 OG SER A 128 -12.130 -17.899 -11.790 1.00 0.00 O ATOM 0 H SER A 128 -9.767 -18.555 -8.208 1.00 0.00 H new ATOM 0 HA SER A 128 -11.510 -19.042 -9.500 1.00 0.00 H new ATOM 0 HB2 SER A 128 -11.114 -16.728 -10.437 1.00 0.00 H new ATOM 0 HB3 SER A 128 -10.126 -17.442 -11.696 1.00 0.00 H new ATOM 0 HG SER A 128 -12.025 -18.753 -12.259 1.00 0.00 H new ATOM 1440 N SER A 129 -9.712 -21.041 -10.263 1.00 0.00 N ATOM 1441 CA SER A 129 -9.310 -22.270 -10.935 1.00 0.00 C ATOM 1442 C SER A 129 -9.927 -23.489 -10.256 1.00 0.00 C ATOM 1443 O SER A 129 -10.462 -23.393 -9.152 1.00 0.00 O ATOM 1444 CB SER A 129 -7.785 -22.396 -10.945 1.00 0.00 C ATOM 1445 OG SER A 129 -7.184 -21.262 -11.546 1.00 0.00 O ATOM 0 H SER A 129 -9.533 -21.032 -9.259 1.00 0.00 H new ATOM 0 HA SER A 129 -9.671 -22.227 -11.962 1.00 0.00 H new ATOM 0 HB2 SER A 129 -7.419 -22.507 -9.924 1.00 0.00 H new ATOM 0 HB3 SER A 129 -7.495 -23.296 -11.487 1.00 0.00 H new ATOM 0 HG SER A 129 -6.210 -21.366 -11.539 1.00 0.00 H new ATOM 1451 N GLY A 130 -9.849 -24.635 -10.925 1.00 0.00 N ATOM 1452 CA GLY A 130 -10.404 -25.856 -10.371 1.00 0.00 C ATOM 1453 C GLY A 130 -11.913 -25.800 -10.239 1.00 0.00 C ATOM 1454 O GLY A 130 -12.585 -25.114 -11.010 1.00 0.00 O ATOM 0 H GLY A 130 -9.412 -24.740 -11.840 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -10.129 -26.697 -11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -9.963 -26.040 -9.391 1.00 0.00 H new TER 1458 GLY A 130