USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=25 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 HE2:sc= -4.41! C(o=-4.4!,f=-6.3!) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 65 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Set 2.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 K(o=0,f=-2.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0304) USER MOD Single : A 52 MET CE :methyl -175:sc= -4.25! (180deg=-4.38!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0119 K(o=-0.012,f=-1.3) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -147:sc= 0.0248 (180deg=0) 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) USER MOD Single : A 73 MET CE :methyl 156:sc= -0.342 (180deg=-1.53) USER MOD Single : A 74 ASN : amide:sc= -3.63! C(o=-3.6!,f=-2.7!) 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 180:sc= 0 USER MOD Single : A 94 SER OG : rot 37:sc= 0.147 USER MOD Single : A 101 CYS SG : rot -136:sc= 0.151 USER MOD Single : A 103 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 105 MET CE :methyl -133:sc= -0.0987 (180deg=-1.13) USER MOD Single : A 108 LYS NZ :NH3+ -140:sc= -0.281 (180deg=-0.425) 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 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -92:sc= 0.749 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 7.736 -1.603 21.960 1.00 0.00 N ATOM 2 CA GLY A 37 8.989 -1.619 22.692 1.00 0.00 C ATOM 3 C GLY A 37 10.166 -1.194 21.836 1.00 0.00 C ATOM 4 O GLY A 37 10.477 -0.007 21.742 1.00 0.00 O ATOM 0 HA2 GLY A 37 8.912 -0.955 23.553 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.168 -2.623 23.078 1.00 0.00 H new ATOM 8 N SER A 38 10.822 -2.166 21.211 1.00 0.00 N ATOM 9 CA SER A 38 11.975 -1.887 20.363 1.00 0.00 C ATOM 10 C SER A 38 11.604 -0.921 19.242 1.00 0.00 C ATOM 11 O SER A 38 10.550 -1.051 18.619 1.00 0.00 O ATOM 12 CB SER A 38 12.526 -3.186 19.771 1.00 0.00 C ATOM 13 OG SER A 38 12.806 -4.131 20.789 1.00 0.00 O ATOM 0 H SER A 38 10.575 -3.154 21.276 1.00 0.00 H new ATOM 0 HA SER A 38 12.744 -1.422 20.980 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.804 -3.605 19.070 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.434 -2.976 19.206 1.00 0.00 H new ATOM 0 HG SER A 38 13.155 -4.953 20.385 1.00 0.00 H new ATOM 19 N SER A 39 12.478 0.048 18.990 1.00 0.00 N ATOM 20 CA SER A 39 12.241 1.039 17.947 1.00 0.00 C ATOM 21 C SER A 39 12.318 0.400 16.564 1.00 0.00 C ATOM 22 O SER A 39 13.037 -0.577 16.358 1.00 0.00 O ATOM 23 CB SER A 39 13.259 2.176 18.054 1.00 0.00 C ATOM 24 OG SER A 39 12.918 3.248 17.193 1.00 0.00 O ATOM 0 H SER A 39 13.357 0.168 19.494 1.00 0.00 H new ATOM 0 HA SER A 39 11.239 1.444 18.085 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.304 2.532 19.083 1.00 0.00 H new ATOM 0 HB3 SER A 39 14.252 1.804 17.801 1.00 0.00 H new ATOM 0 HG SER A 39 13.583 3.963 17.281 1.00 0.00 H new ATOM 30 N GLY A 40 11.571 0.961 15.617 1.00 0.00 N ATOM 31 CA GLY A 40 11.569 0.434 14.265 1.00 0.00 C ATOM 32 C GLY A 40 12.947 0.449 13.634 1.00 0.00 C ATOM 33 O GLY A 40 13.730 -0.484 13.814 1.00 0.00 O ATOM 0 H GLY A 40 10.968 1.771 15.762 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.190 -0.588 14.277 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.885 1.020 13.651 1.00 0.00 H new ATOM 37 N SER A 41 13.244 1.510 12.890 1.00 0.00 N ATOM 38 CA SER A 41 14.535 1.640 12.225 1.00 0.00 C ATOM 39 C SER A 41 15.207 2.958 12.596 1.00 0.00 C ATOM 40 O SER A 41 14.618 4.030 12.452 1.00 0.00 O ATOM 41 CB SER A 41 14.362 1.552 10.708 1.00 0.00 C ATOM 42 OG SER A 41 15.545 1.948 10.036 1.00 0.00 O ATOM 0 H SER A 41 12.608 2.292 12.733 1.00 0.00 H new ATOM 0 HA SER A 41 15.172 0.821 12.559 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.105 0.531 10.427 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.533 2.187 10.396 1.00 0.00 H new ATOM 0 HG SER A 41 15.409 1.881 9.068 1.00 0.00 H new ATOM 48 N SER A 42 16.443 2.871 13.076 1.00 0.00 N ATOM 49 CA SER A 42 17.195 4.056 13.471 1.00 0.00 C ATOM 50 C SER A 42 16.881 5.232 12.551 1.00 0.00 C ATOM 51 O SER A 42 16.694 6.359 13.007 1.00 0.00 O ATOM 52 CB SER A 42 18.697 3.764 13.450 1.00 0.00 C ATOM 53 OG SER A 42 19.444 4.910 13.820 1.00 0.00 O ATOM 0 H SER A 42 16.945 1.992 13.201 1.00 0.00 H new ATOM 0 HA SER A 42 16.898 4.322 14.485 1.00 0.00 H new ATOM 0 HB2 SER A 42 18.921 2.944 14.132 1.00 0.00 H new ATOM 0 HB3 SER A 42 18.994 3.439 12.453 1.00 0.00 H new ATOM 0 HG SER A 42 20.400 4.697 13.800 1.00 0.00 H new ATOM 59 N GLY A 43 16.823 4.959 11.251 1.00 0.00 N ATOM 60 CA GLY A 43 16.531 6.003 10.286 1.00 0.00 C ATOM 61 C GLY A 43 15.267 6.767 10.624 1.00 0.00 C ATOM 62 O GLY A 43 14.460 6.315 11.435 1.00 0.00 O ATOM 0 H GLY A 43 16.973 4.034 10.849 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.370 6.697 10.241 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.430 5.560 9.295 1.00 0.00 H new ATOM 66 N GLN A 44 15.096 7.929 10.001 1.00 0.00 N ATOM 67 CA GLN A 44 13.921 8.759 10.243 1.00 0.00 C ATOM 68 C GLN A 44 12.853 8.512 9.183 1.00 0.00 C ATOM 69 O GLN A 44 13.165 8.228 8.026 1.00 0.00 O ATOM 70 CB GLN A 44 14.310 10.238 10.257 1.00 0.00 C ATOM 71 CG GLN A 44 14.913 10.722 8.948 1.00 0.00 C ATOM 72 CD GLN A 44 15.552 12.090 9.070 1.00 0.00 C ATOM 73 OE1 GLN A 44 14.998 13.090 8.613 1.00 0.00 O ATOM 74 NE2 GLN A 44 16.726 12.143 9.690 1.00 0.00 N ATOM 0 H GLN A 44 15.755 8.317 9.326 1.00 0.00 H new ATOM 0 HA GLN A 44 13.510 8.489 11.216 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.427 10.835 10.483 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.025 10.409 11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.661 10.005 8.610 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.136 10.755 8.185 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.150 11.289 10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.204 13.037 9.802 1.00 0.00 H new ATOM 83 N LYS A 45 11.591 8.621 9.585 1.00 0.00 N ATOM 84 CA LYS A 45 10.476 8.411 8.670 1.00 0.00 C ATOM 85 C LYS A 45 10.640 9.253 7.409 1.00 0.00 C ATOM 86 O LYS A 45 10.428 8.770 6.296 1.00 0.00 O ATOM 87 CB LYS A 45 9.153 8.756 9.358 1.00 0.00 C ATOM 88 CG LYS A 45 8.583 7.618 10.187 1.00 0.00 C ATOM 89 CD LYS A 45 9.086 7.666 11.620 1.00 0.00 C ATOM 90 CE LYS A 45 8.861 6.342 12.334 1.00 0.00 C ATOM 91 NZ LYS A 45 9.250 6.413 13.770 1.00 0.00 N ATOM 0 H LYS A 45 11.315 8.854 10.539 1.00 0.00 H new ATOM 0 HA LYS A 45 10.467 7.359 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.303 9.623 10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.424 9.043 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.494 7.672 10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.858 6.665 9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.149 7.908 11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.575 8.463 12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.811 6.061 12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.438 5.560 11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.082 5.491 14.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.258 6.656 13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.682 7.141 14.248 1.00 0.00 H new ATOM 105 N VAL A 46 11.020 10.513 7.590 1.00 0.00 N ATOM 106 CA VAL A 46 11.215 11.422 6.466 1.00 0.00 C ATOM 107 C VAL A 46 11.758 10.681 5.249 1.00 0.00 C ATOM 108 O VAL A 46 11.146 10.691 4.182 1.00 0.00 O ATOM 109 CB VAL A 46 12.180 12.566 6.830 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.419 13.466 5.628 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.639 13.365 8.006 1.00 0.00 C ATOM 0 H VAL A 46 11.199 10.928 8.504 1.00 0.00 H new ATOM 0 HA VAL A 46 10.239 11.843 6.226 1.00 0.00 H new ATOM 0 HB VAL A 46 13.136 12.132 7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.103 14.268 5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.854 12.882 4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.472 13.894 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.333 14.169 8.250 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.670 13.789 7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.525 12.710 8.870 1.00 0.00 H new ATOM 121 N GLU A 47 12.910 10.041 5.418 1.00 0.00 N ATOM 122 CA GLU A 47 13.536 9.295 4.332 1.00 0.00 C ATOM 123 C GLU A 47 12.547 8.317 3.704 1.00 0.00 C ATOM 124 O GLU A 47 12.286 8.368 2.501 1.00 0.00 O ATOM 125 CB GLU A 47 14.763 8.538 4.844 1.00 0.00 C ATOM 126 CG GLU A 47 15.951 9.436 5.144 1.00 0.00 C ATOM 127 CD GLU A 47 16.947 8.791 6.088 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.534 8.375 7.191 1.00 0.00 O ATOM 129 OE2 GLU A 47 18.138 8.701 5.724 1.00 0.00 O ATOM 0 H GLU A 47 13.429 10.024 6.296 1.00 0.00 H new ATOM 0 HA GLU A 47 13.850 10.008 3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.492 7.994 5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.057 7.796 4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.453 9.691 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.595 10.369 5.580 1.00 0.00 H new ATOM 136 N PHE A 48 12.001 7.427 4.525 1.00 0.00 N ATOM 137 CA PHE A 48 11.042 6.436 4.051 1.00 0.00 C ATOM 138 C PHE A 48 9.937 7.097 3.231 1.00 0.00 C ATOM 139 O PHE A 48 9.676 6.707 2.093 1.00 0.00 O ATOM 140 CB PHE A 48 10.432 5.679 5.232 1.00 0.00 C ATOM 141 CG PHE A 48 9.415 4.651 4.825 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.804 3.492 4.173 1.00 0.00 C ATOM 143 CD2 PHE A 48 8.070 4.845 5.094 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.870 2.546 3.797 1.00 0.00 C ATOM 145 CE2 PHE A 48 7.131 3.902 4.720 1.00 0.00 C ATOM 146 CZ PHE A 48 7.532 2.750 4.072 1.00 0.00 C ATOM 0 H PHE A 48 12.206 7.371 5.523 1.00 0.00 H new ATOM 0 HA PHE A 48 11.573 5.731 3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.230 5.188 5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.963 6.394 5.908 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.849 3.326 3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.751 5.743 5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.186 1.647 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.085 4.066 4.934 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.801 2.010 3.781 1.00 0.00 H new ATOM 156 N ARG A 49 9.291 8.099 3.819 1.00 0.00 N ATOM 157 CA ARG A 49 8.214 8.813 3.145 1.00 0.00 C ATOM 158 C ARG A 49 8.608 9.168 1.715 1.00 0.00 C ATOM 159 O ARG A 49 7.904 8.830 0.763 1.00 0.00 O ATOM 160 CB ARG A 49 7.855 10.085 3.917 1.00 0.00 C ATOM 161 CG ARG A 49 6.507 10.671 3.532 1.00 0.00 C ATOM 162 CD ARG A 49 6.018 11.672 4.568 1.00 0.00 C ATOM 163 NE ARG A 49 4.854 12.419 4.100 1.00 0.00 N ATOM 164 CZ ARG A 49 3.607 11.975 4.199 1.00 0.00 C ATOM 165 NH1 ARG A 49 3.363 10.793 4.748 1.00 0.00 N ATOM 166 NH2 ARG A 49 2.600 12.713 3.751 1.00 0.00 N ATOM 0 H ARG A 49 9.495 8.434 4.760 1.00 0.00 H new ATOM 0 HA ARG A 49 7.343 8.158 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.854 9.864 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.629 10.834 3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.586 11.160 2.561 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.777 9.869 3.427 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.765 11.146 5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.822 12.367 4.808 1.00 0.00 H new ATOM 0 HE ARG A 49 5.008 13.333 3.673 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.134 10.223 5.095 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.404 10.454 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.783 13.624 3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.643 12.370 3.828 1.00 0.00 H new ATOM 180 N LYS A 50 9.738 9.852 1.570 1.00 0.00 N ATOM 181 CA LYS A 50 10.227 10.253 0.256 1.00 0.00 C ATOM 182 C LYS A 50 10.225 9.071 -0.709 1.00 0.00 C ATOM 183 O LYS A 50 9.678 9.157 -1.809 1.00 0.00 O ATOM 184 CB LYS A 50 11.640 10.829 0.370 1.00 0.00 C ATOM 185 CG LYS A 50 11.735 12.028 1.298 1.00 0.00 C ATOM 186 CD LYS A 50 13.140 12.192 1.855 1.00 0.00 C ATOM 187 CE LYS A 50 13.998 13.067 0.955 1.00 0.00 C ATOM 188 NZ LYS A 50 13.652 14.509 1.090 1.00 0.00 N ATOM 0 H LYS A 50 10.333 10.140 2.347 1.00 0.00 H new ATOM 0 HA LYS A 50 9.558 11.020 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.313 10.050 0.727 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.986 11.120 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.449 12.931 0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.028 11.910 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.089 12.633 2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.606 11.213 1.964 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.050 12.921 1.202 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.869 12.758 -0.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.363 15.084 0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.715 14.682 0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.636 14.769 2.097 1.00 0.00 H new ATOM 202 N ARG A 51 10.838 7.969 -0.290 1.00 0.00 N ATOM 203 CA ARG A 51 10.906 6.771 -1.117 1.00 0.00 C ATOM 204 C ARG A 51 9.526 6.402 -1.655 1.00 0.00 C ATOM 205 O ARG A 51 9.327 6.302 -2.865 1.00 0.00 O ATOM 206 CB ARG A 51 11.481 5.603 -0.314 1.00 0.00 C ATOM 207 CG ARG A 51 12.063 4.497 -1.179 1.00 0.00 C ATOM 208 CD ARG A 51 12.795 3.461 -0.341 1.00 0.00 C ATOM 209 NE ARG A 51 13.801 2.741 -1.116 1.00 0.00 N ATOM 210 CZ ARG A 51 14.832 2.103 -0.572 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.991 2.097 0.744 1.00 0.00 N ATOM 212 NH2 ARG A 51 15.705 1.470 -1.345 1.00 0.00 N ATOM 0 H ARG A 51 11.295 7.881 0.618 1.00 0.00 H new ATOM 0 HA ARG A 51 11.562 6.980 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.258 5.979 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.696 5.185 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.263 4.014 -1.740 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.749 4.927 -1.909 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.274 3.953 0.506 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.076 2.751 0.067 1.00 0.00 H new ATOM 0 HE ARG A 51 13.707 2.727 -2.132 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.321 2.583 1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.783 1.607 1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.585 1.473 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.496 0.981 -0.926 1.00 0.00 H new ATOM 226 N MET A 52 8.577 6.202 -0.746 1.00 0.00 N ATOM 227 CA MET A 52 7.216 5.846 -1.129 1.00 0.00 C ATOM 228 C MET A 52 6.690 6.788 -2.207 1.00 0.00 C ATOM 229 O MET A 52 6.098 6.349 -3.192 1.00 0.00 O ATOM 230 CB MET A 52 6.293 5.882 0.091 1.00 0.00 C ATOM 231 CG MET A 52 6.401 4.648 0.971 1.00 0.00 C ATOM 232 SD MET A 52 8.027 4.476 1.730 1.00 0.00 S ATOM 233 CE MET A 52 8.871 3.483 0.501 1.00 0.00 C ATOM 0 H MET A 52 8.726 6.280 0.260 1.00 0.00 H new ATOM 0 HA MET A 52 7.233 4.834 -1.533 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.526 6.765 0.687 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.262 5.988 -0.247 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.643 4.697 1.753 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.187 3.761 0.374 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.863 3.216 0.867 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.298 2.575 0.311 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.966 4.052 -0.424 1.00 0.00 H new ATOM 243 N GLU A 53 6.910 8.085 -2.013 1.00 0.00 N ATOM 244 CA GLU A 53 6.457 9.088 -2.969 1.00 0.00 C ATOM 245 C GLU A 53 6.957 8.766 -4.374 1.00 0.00 C ATOM 246 O GLU A 53 6.207 8.846 -5.347 1.00 0.00 O ATOM 247 CB GLU A 53 6.939 10.478 -2.550 1.00 0.00 C ATOM 248 CG GLU A 53 6.329 10.968 -1.248 1.00 0.00 C ATOM 249 CD GLU A 53 6.402 12.475 -1.099 1.00 0.00 C ATOM 250 OE1 GLU A 53 7.401 13.068 -1.558 1.00 0.00 O ATOM 251 OE2 GLU A 53 5.461 13.061 -0.525 1.00 0.00 O ATOM 0 H GLU A 53 7.399 8.465 -1.203 1.00 0.00 H new ATOM 0 HA GLU A 53 5.367 9.077 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.024 10.462 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.703 11.189 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.287 10.652 -1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.845 10.499 -0.410 1.00 0.00 H new ATOM 258 N LYS A 54 8.231 8.401 -4.473 1.00 0.00 N ATOM 259 CA LYS A 54 8.834 8.065 -5.757 1.00 0.00 C ATOM 260 C LYS A 54 8.221 6.791 -6.330 1.00 0.00 C ATOM 261 O LYS A 54 7.854 6.741 -7.503 1.00 0.00 O ATOM 262 CB LYS A 54 10.347 7.892 -5.604 1.00 0.00 C ATOM 263 CG LYS A 54 11.103 7.960 -6.920 1.00 0.00 C ATOM 264 CD LYS A 54 11.183 9.384 -7.444 1.00 0.00 C ATOM 265 CE LYS A 54 11.416 9.412 -8.947 1.00 0.00 C ATOM 266 NZ LYS A 54 10.816 10.620 -9.579 1.00 0.00 N ATOM 0 H LYS A 54 8.866 8.330 -3.678 1.00 0.00 H new ATOM 0 HA LYS A 54 8.636 8.884 -6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.727 8.665 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.548 6.932 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.109 7.565 -6.783 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.609 7.327 -7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.259 9.912 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.991 9.914 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.487 9.390 -9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.989 8.516 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.996 10.602 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.790 10.628 -9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.242 11.475 -9.168 1.00 0.00 H new ATOM 280 N GLU A 55 8.113 5.764 -5.493 1.00 0.00 N ATOM 281 CA GLU A 55 7.544 4.490 -5.917 1.00 0.00 C ATOM 282 C GLU A 55 6.097 4.665 -6.370 1.00 0.00 C ATOM 283 O GLU A 55 5.762 4.408 -7.526 1.00 0.00 O ATOM 284 CB GLU A 55 7.614 3.471 -4.778 1.00 0.00 C ATOM 285 CG GLU A 55 9.012 2.930 -4.530 1.00 0.00 C ATOM 286 CD GLU A 55 9.362 1.775 -5.448 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.164 1.912 -6.674 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.834 0.736 -4.942 1.00 0.00 O ATOM 0 H GLU A 55 8.412 5.789 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 55 8.129 4.122 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.246 3.935 -3.863 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.947 2.639 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.738 3.732 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.092 2.603 -3.493 1.00 0.00 H new ATOM 295 N VAL A 56 5.244 5.102 -5.450 1.00 0.00 N ATOM 296 CA VAL A 56 3.833 5.312 -5.753 1.00 0.00 C ATOM 297 C VAL A 56 3.659 6.037 -7.083 1.00 0.00 C ATOM 298 O VAL A 56 2.998 5.537 -7.993 1.00 0.00 O ATOM 299 CB VAL A 56 3.135 6.121 -4.644 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.718 6.487 -5.061 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.130 5.341 -3.338 1.00 0.00 C ATOM 0 H VAL A 56 5.505 5.318 -4.488 1.00 0.00 H new ATOM 0 HA VAL A 56 3.373 4.326 -5.817 1.00 0.00 H new ATOM 0 HB VAL A 56 3.692 7.045 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.241 7.058 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.750 7.088 -5.970 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.147 5.577 -5.247 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.633 5.928 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.598 4.400 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.156 5.135 -3.033 1.00 0.00 H new ATOM 311 N SER A 57 4.258 7.219 -7.189 1.00 0.00 N ATOM 312 CA SER A 57 4.167 8.016 -8.407 1.00 0.00 C ATOM 313 C SER A 57 4.557 7.188 -9.628 1.00 0.00 C ATOM 314 O SER A 57 3.785 7.063 -10.579 1.00 0.00 O ATOM 315 CB SER A 57 5.067 9.249 -8.304 1.00 0.00 C ATOM 316 OG SER A 57 4.639 10.268 -9.190 1.00 0.00 O ATOM 0 H SER A 57 4.811 7.646 -6.446 1.00 0.00 H new ATOM 0 HA SER A 57 3.133 8.339 -8.524 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.058 9.625 -7.281 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.096 8.972 -8.533 1.00 0.00 H new ATOM 0 HG SER A 57 5.229 11.046 -9.104 1.00 0.00 H new ATOM 322 N ASP A 58 5.759 6.625 -9.593 1.00 0.00 N ATOM 323 CA ASP A 58 6.253 5.808 -10.696 1.00 0.00 C ATOM 324 C ASP A 58 5.199 4.798 -11.138 1.00 0.00 C ATOM 325 O ASP A 58 4.998 4.576 -12.332 1.00 0.00 O ATOM 326 CB ASP A 58 7.535 5.081 -10.286 1.00 0.00 C ATOM 327 CG ASP A 58 8.781 5.888 -10.594 1.00 0.00 C ATOM 328 OD1 ASP A 58 8.806 6.564 -11.643 1.00 0.00 O ATOM 329 OD2 ASP A 58 9.733 5.841 -9.786 1.00 0.00 O ATOM 0 H ASP A 58 6.410 6.719 -8.813 1.00 0.00 H new ATOM 0 HA ASP A 58 6.472 6.468 -11.535 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.501 4.864 -9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.588 4.124 -10.804 1.00 0.00 H new ATOM 334 N PHE A 59 4.530 4.186 -10.166 1.00 0.00 N ATOM 335 CA PHE A 59 3.498 3.197 -10.455 1.00 0.00 C ATOM 336 C PHE A 59 2.300 3.845 -11.143 1.00 0.00 C ATOM 337 O PHE A 59 1.687 3.253 -12.032 1.00 0.00 O ATOM 338 CB PHE A 59 3.047 2.508 -9.165 1.00 0.00 C ATOM 339 CG PHE A 59 1.689 1.875 -9.266 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.541 2.642 -9.143 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.559 0.513 -9.484 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.710 2.063 -9.237 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.310 -0.072 -9.579 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.826 0.704 -9.454 1.00 0.00 C ATOM 0 H PHE A 59 4.684 4.357 -9.172 1.00 0.00 H new ATOM 0 HA PHE A 59 3.923 2.452 -11.128 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.776 1.743 -8.897 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.039 3.239 -8.356 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.625 3.705 -8.972 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.444 -0.099 -9.581 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.596 2.673 -9.141 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.222 -1.135 -9.751 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.803 0.249 -9.526 1.00 0.00 H new ATOM 354 N ILE A 60 1.974 5.064 -10.727 1.00 0.00 N ATOM 355 CA ILE A 60 0.851 5.793 -11.303 1.00 0.00 C ATOM 356 C ILE A 60 1.025 5.969 -12.808 1.00 0.00 C ATOM 357 O ILE A 60 0.134 5.635 -13.588 1.00 0.00 O ATOM 358 CB ILE A 60 0.684 7.178 -10.651 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.237 7.030 -9.195 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.315 8.016 -11.435 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.398 8.295 -8.382 1.00 0.00 C ATOM 0 H ILE A 60 2.472 5.568 -9.993 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.043 5.200 -11.109 1.00 0.00 H new ATOM 0 HB ILE A 60 1.647 7.688 -10.666 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.809 6.725 -9.174 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.812 6.231 -8.726 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.422 8.992 -10.962 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.041 8.146 -12.457 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.281 7.512 -11.449 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.062 8.116 -7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.447 8.590 -8.372 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.199 9.092 -8.826 1.00 0.00 H new ATOM 373 N GLN A 61 2.178 6.495 -13.207 1.00 0.00 N ATOM 374 CA GLN A 61 2.469 6.714 -14.619 1.00 0.00 C ATOM 375 C GLN A 61 2.475 5.395 -15.385 1.00 0.00 C ATOM 376 O GLN A 61 1.950 5.308 -16.495 1.00 0.00 O ATOM 377 CB GLN A 61 3.817 7.418 -14.780 1.00 0.00 C ATOM 378 CG GLN A 61 3.906 8.741 -14.038 1.00 0.00 C ATOM 379 CD GLN A 61 5.074 9.592 -14.497 1.00 0.00 C ATOM 380 OE1 GLN A 61 5.840 9.192 -15.374 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.216 10.772 -13.905 1.00 0.00 N ATOM 0 H GLN A 61 2.926 6.777 -12.573 1.00 0.00 H new ATOM 0 HA GLN A 61 1.685 7.348 -15.032 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.607 6.757 -14.423 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.002 7.593 -15.840 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.979 9.296 -14.181 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.000 8.548 -12.969 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.557 11.063 -13.183 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.984 11.388 -14.173 1.00 0.00 H new ATOM 390 N ASP A 62 3.073 4.372 -14.786 1.00 0.00 N ATOM 391 CA ASP A 62 3.148 3.057 -15.411 1.00 0.00 C ATOM 392 C ASP A 62 1.752 2.491 -15.653 1.00 0.00 C ATOM 393 O ASP A 62 1.057 2.103 -14.715 1.00 0.00 O ATOM 394 CB ASP A 62 3.956 2.097 -14.536 1.00 0.00 C ATOM 395 CG ASP A 62 5.449 2.216 -14.773 1.00 0.00 C ATOM 396 OD1 ASP A 62 6.028 3.256 -14.397 1.00 0.00 O ATOM 397 OD2 ASP A 62 6.038 1.268 -15.335 1.00 0.00 O ATOM 0 H ASP A 62 3.513 4.428 -13.868 1.00 0.00 H new ATOM 0 HA ASP A 62 3.649 3.167 -16.373 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.740 2.298 -13.487 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.640 1.073 -14.736 1.00 0.00 H new ATOM 402 N SER A 63 1.349 2.447 -16.919 1.00 0.00 N ATOM 403 CA SER A 63 0.034 1.933 -17.285 1.00 0.00 C ATOM 404 C SER A 63 -0.017 0.415 -17.134 1.00 0.00 C ATOM 405 O SER A 63 -0.969 -0.133 -16.579 1.00 0.00 O ATOM 406 CB SER A 63 -0.308 2.325 -18.723 1.00 0.00 C ATOM 407 OG SER A 63 -1.710 2.441 -18.901 1.00 0.00 O ATOM 0 H SER A 63 1.914 2.761 -17.708 1.00 0.00 H new ATOM 0 HA SER A 63 -0.701 2.373 -16.611 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.172 3.272 -18.969 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.088 1.578 -19.411 1.00 0.00 H new ATOM 0 HG SER A 63 -1.902 2.694 -19.828 1.00 0.00 H new ATOM 413 N GLY A 64 1.015 -0.258 -17.633 1.00 0.00 N ATOM 414 CA GLY A 64 1.069 -1.706 -17.544 1.00 0.00 C ATOM 415 C GLY A 64 0.703 -2.216 -16.164 1.00 0.00 C ATOM 416 O GLY A 64 -0.035 -3.192 -16.033 1.00 0.00 O ATOM 0 H GLY A 64 1.814 0.173 -18.097 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.390 -2.138 -18.279 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.073 -2.045 -17.799 1.00 0.00 H new ATOM 420 N GLN A 65 1.223 -1.556 -15.134 1.00 0.00 N ATOM 421 CA GLN A 65 0.948 -1.952 -13.758 1.00 0.00 C ATOM 422 C GLN A 65 -0.424 -1.456 -13.313 1.00 0.00 C ATOM 423 O GLN A 65 -0.706 -0.258 -13.355 1.00 0.00 O ATOM 424 CB GLN A 65 2.028 -1.406 -12.823 1.00 0.00 C ATOM 425 CG GLN A 65 3.433 -1.857 -13.188 1.00 0.00 C ATOM 426 CD GLN A 65 4.462 -1.463 -12.146 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.248 -1.642 -10.947 1.00 0.00 O ATOM 428 NE2 GLN A 65 5.587 -0.923 -12.600 1.00 0.00 N ATOM 0 H GLN A 65 1.836 -0.746 -15.226 1.00 0.00 H new ATOM 0 HA GLN A 65 0.953 -3.041 -13.712 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.990 -0.317 -12.835 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.807 -1.721 -11.803 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.442 -2.940 -13.311 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.711 -1.425 -14.149 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.722 -0.793 -13.603 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.316 -0.638 -11.946 1.00 0.00 H new ATOM 437 N ILE A 66 -1.274 -2.384 -12.887 1.00 0.00 N ATOM 438 CA ILE A 66 -2.616 -2.041 -12.434 1.00 0.00 C ATOM 439 C ILE A 66 -2.685 -1.987 -10.912 1.00 0.00 C ATOM 440 O ILE A 66 -3.468 -1.227 -10.341 1.00 0.00 O ATOM 441 CB ILE A 66 -3.660 -3.050 -12.949 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.332 -4.457 -12.445 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.716 -3.025 -14.469 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.484 -5.429 -12.574 1.00 0.00 C ATOM 0 H ILE A 66 -1.057 -3.380 -12.846 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.844 -1.056 -12.841 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.640 -2.766 -12.565 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.477 -4.843 -13.001 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.032 -4.399 -11.399 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.458 -3.743 -14.818 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.991 -2.026 -14.807 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.739 -3.288 -14.873 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.180 -6.406 -12.198 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.333 -5.066 -11.995 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.770 -5.517 -13.622 1.00 0.00 H new ATOM 456 N LYS A 67 -1.860 -2.798 -10.258 1.00 0.00 N ATOM 457 CA LYS A 67 -1.823 -2.842 -8.801 1.00 0.00 C ATOM 458 C LYS A 67 -0.396 -3.029 -8.298 1.00 0.00 C ATOM 459 O LYS A 67 0.501 -3.387 -9.062 1.00 0.00 O ATOM 460 CB LYS A 67 -2.711 -3.975 -8.282 1.00 0.00 C ATOM 461 CG LYS A 67 -2.209 -5.360 -8.654 1.00 0.00 C ATOM 462 CD LYS A 67 -2.853 -6.435 -7.794 1.00 0.00 C ATOM 463 CE LYS A 67 -4.203 -6.859 -8.350 1.00 0.00 C ATOM 464 NZ LYS A 67 -4.847 -7.904 -7.507 1.00 0.00 N ATOM 0 H LYS A 67 -1.207 -3.435 -10.715 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.200 -1.891 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.781 -3.902 -7.197 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.719 -3.845 -8.676 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.424 -5.556 -9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.126 -5.399 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.193 -7.301 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.978 -6.063 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.858 -5.990 -8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.075 -7.238 -9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.402 -8.543 -8.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.114 -8.448 -7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.475 -7.451 -6.812 1.00 0.00 H new ATOM 478 N LYS A 68 -0.192 -2.787 -7.008 1.00 0.00 N ATOM 479 CA LYS A 68 1.126 -2.931 -6.401 1.00 0.00 C ATOM 480 C LYS A 68 1.008 -3.320 -4.930 1.00 0.00 C ATOM 481 O LYS A 68 0.168 -2.791 -4.203 1.00 0.00 O ATOM 482 CB LYS A 68 1.917 -1.628 -6.533 1.00 0.00 C ATOM 483 CG LYS A 68 3.319 -1.706 -5.954 1.00 0.00 C ATOM 484 CD LYS A 68 4.143 -0.482 -6.320 1.00 0.00 C ATOM 485 CE LYS A 68 5.623 -0.817 -6.420 1.00 0.00 C ATOM 486 NZ LYS A 68 6.005 -1.235 -7.798 1.00 0.00 N ATOM 0 H LYS A 68 -0.923 -2.490 -6.362 1.00 0.00 H new ATOM 0 HA LYS A 68 1.656 -3.725 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.983 -1.358 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.370 -0.829 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.261 -1.796 -4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.816 -2.604 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.795 -0.079 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.995 0.295 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.213 0.052 -6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.863 -1.616 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.021 -1.455 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.461 -2.079 -8.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.800 -0.463 -8.464 1.00 0.00 H new ATOM 500 N LYS A 69 1.857 -4.246 -4.498 1.00 0.00 N ATOM 501 CA LYS A 69 1.851 -4.704 -3.114 1.00 0.00 C ATOM 502 C LYS A 69 3.211 -4.482 -2.461 1.00 0.00 C ATOM 503 O LYS A 69 4.233 -4.961 -2.954 1.00 0.00 O ATOM 504 CB LYS A 69 1.477 -6.187 -3.047 1.00 0.00 C ATOM 505 CG LYS A 69 1.502 -6.758 -1.640 1.00 0.00 C ATOM 506 CD LYS A 69 1.635 -8.271 -1.654 1.00 0.00 C ATOM 507 CE LYS A 69 0.282 -8.949 -1.809 1.00 0.00 C ATOM 508 NZ LYS A 69 0.398 -10.433 -1.770 1.00 0.00 N ATOM 0 H LYS A 69 2.559 -4.694 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 69 1.107 -4.123 -2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.480 -6.321 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.165 -6.755 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.334 -6.324 -1.085 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.588 -6.477 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.290 -8.572 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.106 -8.604 -0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.385 -8.616 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.171 -8.645 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.545 -10.858 -1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.014 -10.754 -2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.806 -10.725 -0.859 1.00 0.00 H new ATOM 522 N PHE A 70 3.217 -3.755 -1.349 1.00 0.00 N ATOM 523 CA PHE A 70 4.453 -3.470 -0.628 1.00 0.00 C ATOM 524 C PHE A 70 4.667 -4.474 0.501 1.00 0.00 C ATOM 525 O PHE A 70 3.714 -5.066 1.007 1.00 0.00 O ATOM 526 CB PHE A 70 4.423 -2.049 -0.064 1.00 0.00 C ATOM 527 CG PHE A 70 4.485 -0.983 -1.120 1.00 0.00 C ATOM 528 CD1 PHE A 70 3.325 -0.497 -1.702 1.00 0.00 C ATOM 529 CD2 PHE A 70 5.703 -0.466 -1.531 1.00 0.00 C ATOM 530 CE1 PHE A 70 3.380 0.483 -2.675 1.00 0.00 C ATOM 531 CE2 PHE A 70 5.764 0.514 -2.504 1.00 0.00 C ATOM 532 CZ PHE A 70 4.600 0.990 -3.075 1.00 0.00 C ATOM 0 H PHE A 70 2.380 -3.352 -0.927 1.00 0.00 H new ATOM 0 HA PHE A 70 5.283 -3.557 -1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.512 -1.918 0.520 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.262 -1.921 0.620 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.367 -0.888 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.616 -0.833 -1.086 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.469 0.852 -3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.720 0.907 -2.817 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.644 1.758 -3.833 1.00 0.00 H new ATOM 542 N GLN A 71 5.924 -4.658 0.890 1.00 0.00 N ATOM 543 CA GLN A 71 6.264 -5.590 1.959 1.00 0.00 C ATOM 544 C GLN A 71 6.327 -4.876 3.305 1.00 0.00 C ATOM 545 O GLN A 71 6.853 -3.769 3.424 1.00 0.00 O ATOM 546 CB GLN A 71 7.603 -6.270 1.665 1.00 0.00 C ATOM 547 CG GLN A 71 7.881 -7.474 2.550 1.00 0.00 C ATOM 548 CD GLN A 71 9.245 -8.084 2.294 1.00 0.00 C ATOM 549 OE1 GLN A 71 10.255 -7.616 2.820 1.00 0.00 O ATOM 550 NE2 GLN A 71 9.281 -9.135 1.483 1.00 0.00 N ATOM 0 H GLN A 71 6.724 -4.174 0.481 1.00 0.00 H new ATOM 0 HA GLN A 71 5.483 -6.348 2.008 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.620 -6.585 0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.406 -5.543 1.792 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.811 -7.175 3.596 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.112 -8.229 2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.419 -9.489 1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.171 -9.588 1.274 1.00 0.00 H new ATOM 559 N PRO A 72 5.779 -5.522 4.344 1.00 0.00 N ATOM 560 CA PRO A 72 5.760 -4.967 5.701 1.00 0.00 C ATOM 561 C PRO A 72 7.148 -4.929 6.331 1.00 0.00 C ATOM 562 O PRO A 72 7.559 -5.873 7.005 1.00 0.00 O ATOM 563 CB PRO A 72 4.851 -5.931 6.467 1.00 0.00 C ATOM 564 CG PRO A 72 4.949 -7.217 5.721 1.00 0.00 C ATOM 565 CD PRO A 72 5.134 -6.844 4.276 1.00 0.00 C ATOM 0 HA PRO A 72 5.414 -3.933 5.713 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.178 -6.047 7.500 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.824 -5.568 6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.787 -7.814 6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.049 -7.817 5.857 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.757 -7.568 3.751 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.182 -6.800 3.747 1.00 0.00 H new ATOM 573 N MET A 73 7.866 -3.833 6.107 1.00 0.00 N ATOM 574 CA MET A 73 9.208 -3.674 6.655 1.00 0.00 C ATOM 575 C MET A 73 9.151 -3.178 8.096 1.00 0.00 C ATOM 576 O MET A 73 9.900 -3.646 8.953 1.00 0.00 O ATOM 577 CB MET A 73 10.018 -2.698 5.799 1.00 0.00 C ATOM 578 CG MET A 73 10.437 -3.271 4.455 1.00 0.00 C ATOM 579 SD MET A 73 10.599 -2.006 3.181 1.00 0.00 S ATOM 580 CE MET A 73 8.878 -1.678 2.809 1.00 0.00 C ATOM 0 H MET A 73 7.541 -3.043 5.550 1.00 0.00 H new ATOM 0 HA MET A 73 9.697 -4.648 6.644 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.427 -1.797 5.632 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.909 -2.397 6.350 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.388 -3.792 4.567 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.704 -4.011 4.135 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.781 -0.677 2.389 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.516 -2.410 2.088 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.289 -1.747 3.723 1.00 0.00 H new ATOM 590 N ASN A 74 8.258 -2.229 8.356 1.00 0.00 N ATOM 591 CA ASN A 74 8.104 -1.670 9.695 1.00 0.00 C ATOM 592 C ASN A 74 6.647 -1.723 10.143 1.00 0.00 C ATOM 593 O ASN A 74 5.769 -2.144 9.389 1.00 0.00 O ATOM 594 CB ASN A 74 8.608 -0.225 9.727 1.00 0.00 C ATOM 595 CG ASN A 74 10.114 -0.141 9.879 1.00 0.00 C ATOM 596 OD1 ASN A 74 10.646 -0.260 10.983 1.00 0.00 O ATOM 597 ND2 ASN A 74 10.810 0.065 8.767 1.00 0.00 N ATOM 0 H ASN A 74 7.630 -1.831 7.658 1.00 0.00 H new ATOM 0 HA ASN A 74 8.698 -2.271 10.384 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.309 0.281 8.809 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.132 0.305 10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.827 0.130 8.807 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.327 0.158 7.873 1.00 0.00 H new ATOM 604 N LYS A 75 6.396 -1.292 11.374 1.00 0.00 N ATOM 605 CA LYS A 75 5.046 -1.288 11.924 1.00 0.00 C ATOM 606 C LYS A 75 4.331 0.021 11.601 1.00 0.00 C ATOM 607 O LYS A 75 3.109 0.052 11.457 1.00 0.00 O ATOM 608 CB LYS A 75 5.089 -1.497 13.439 1.00 0.00 C ATOM 609 CG LYS A 75 3.722 -1.445 14.100 1.00 0.00 C ATOM 610 CD LYS A 75 3.832 -1.496 15.614 1.00 0.00 C ATOM 611 CE LYS A 75 4.087 -0.116 16.201 1.00 0.00 C ATOM 612 NZ LYS A 75 2.820 0.628 16.438 1.00 0.00 N ATOM 0 H LYS A 75 7.111 -0.940 12.011 1.00 0.00 H new ATOM 0 HA LYS A 75 4.492 -2.107 11.466 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.549 -2.462 13.651 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.728 -0.734 13.884 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.208 -0.531 13.802 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.116 -2.281 13.750 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.913 -1.907 16.033 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.641 -2.169 15.899 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.631 -0.216 17.140 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.722 0.455 15.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.036 1.563 16.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.313 0.746 15.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.224 0.096 17.104 1.00 0.00 H new ATOM 626 N ILE A 76 5.101 1.098 11.487 1.00 0.00 N ATOM 627 CA ILE A 76 4.541 2.407 11.178 1.00 0.00 C ATOM 628 C ILE A 76 4.578 2.681 9.678 1.00 0.00 C ATOM 629 O ILE A 76 3.699 3.352 9.139 1.00 0.00 O ATOM 630 CB ILE A 76 5.297 3.530 11.912 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.309 3.266 13.419 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.664 4.880 11.610 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.927 3.159 14.025 1.00 0.00 C ATOM 0 H ILE A 76 6.114 1.089 11.604 1.00 0.00 H new ATOM 0 HA ILE A 76 3.505 2.395 11.517 1.00 0.00 H new ATOM 0 HB ILE A 76 6.327 3.547 11.557 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.855 2.343 13.614 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.854 4.069 13.916 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.210 5.663 12.136 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.703 5.068 10.537 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.625 4.877 11.940 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.013 2.972 15.095 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.385 4.091 13.862 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.386 2.338 13.555 1.00 0.00 H new ATOM 645 N GLU A 77 5.601 2.156 9.011 1.00 0.00 N ATOM 646 CA GLU A 77 5.751 2.343 7.573 1.00 0.00 C ATOM 647 C GLU A 77 4.421 2.130 6.855 1.00 0.00 C ATOM 648 O GLU A 77 4.158 2.742 5.819 1.00 0.00 O ATOM 649 CB GLU A 77 6.803 1.381 7.018 1.00 0.00 C ATOM 650 CG GLU A 77 8.220 1.927 7.079 1.00 0.00 C ATOM 651 CD GLU A 77 8.517 2.633 8.388 1.00 0.00 C ATOM 652 OE1 GLU A 77 7.831 3.631 8.692 1.00 0.00 O ATOM 653 OE2 GLU A 77 9.434 2.187 9.108 1.00 0.00 O ATOM 0 H GLU A 77 6.338 1.598 9.443 1.00 0.00 H new ATOM 0 HA GLU A 77 6.078 3.368 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.759 0.446 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.558 1.146 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.927 1.109 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.374 2.621 6.253 1.00 0.00 H new ATOM 660 N ARG A 78 3.588 1.258 7.412 1.00 0.00 N ATOM 661 CA ARG A 78 2.286 0.962 6.825 1.00 0.00 C ATOM 662 C ARG A 78 1.414 2.213 6.778 1.00 0.00 C ATOM 663 O ARG A 78 0.821 2.531 5.747 1.00 0.00 O ATOM 664 CB ARG A 78 1.580 -0.135 7.623 1.00 0.00 C ATOM 665 CG ARG A 78 0.656 -1.001 6.782 1.00 0.00 C ATOM 666 CD ARG A 78 -0.688 -0.326 6.557 1.00 0.00 C ATOM 667 NE ARG A 78 -1.452 -0.203 7.795 1.00 0.00 N ATOM 668 CZ ARG A 78 -2.086 -1.218 8.372 1.00 0.00 C ATOM 669 NH1 ARG A 78 -2.045 -2.425 7.826 1.00 0.00 N ATOM 670 NH2 ARG A 78 -2.761 -1.026 9.498 1.00 0.00 N ATOM 0 H ARG A 78 3.791 0.744 8.269 1.00 0.00 H new ATOM 0 HA ARG A 78 2.446 0.613 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.330 -0.770 8.094 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.003 0.325 8.425 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.126 -1.209 5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.504 -1.960 7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.529 0.664 6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.264 -0.899 5.831 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.502 0.713 8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.526 -2.576 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.532 -3.203 8.271 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.793 -0.099 9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.247 -1.806 9.940 1.00 0.00 H new ATOM 684 N SER A 79 1.340 2.920 7.901 1.00 0.00 N ATOM 685 CA SER A 79 0.537 4.133 7.990 1.00 0.00 C ATOM 686 C SER A 79 1.096 5.222 7.080 1.00 0.00 C ATOM 687 O SER A 79 0.364 5.826 6.295 1.00 0.00 O ATOM 688 CB SER A 79 0.490 4.635 9.435 1.00 0.00 C ATOM 689 OG SER A 79 -0.384 5.743 9.562 1.00 0.00 O ATOM 0 H SER A 79 1.827 2.673 8.762 1.00 0.00 H new ATOM 0 HA SER A 79 -0.475 3.894 7.663 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.160 3.830 10.092 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.492 4.919 9.757 1.00 0.00 H new ATOM 0 HG SER A 79 -0.397 6.044 10.495 1.00 0.00 H new ATOM 695 N ILE A 80 2.397 5.467 7.191 1.00 0.00 N ATOM 696 CA ILE A 80 3.055 6.482 6.378 1.00 0.00 C ATOM 697 C ILE A 80 2.733 6.296 4.899 1.00 0.00 C ATOM 698 O ILE A 80 2.318 7.235 4.219 1.00 0.00 O ATOM 699 CB ILE A 80 4.583 6.452 6.567 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.939 6.615 8.046 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.242 7.541 5.734 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.293 6.045 8.409 1.00 0.00 C ATOM 0 H ILE A 80 3.016 4.976 7.836 1.00 0.00 H new ATOM 0 HA ILE A 80 2.675 7.448 6.711 1.00 0.00 H new ATOM 0 HB ILE A 80 4.957 5.486 6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.920 7.675 8.301 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.175 6.127 8.651 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.322 7.506 5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.012 7.383 4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.865 8.515 6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.478 6.196 9.472 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.310 4.978 8.186 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.067 6.549 7.831 1.00 0.00 H new ATOM 714 N LEU A 81 2.927 5.077 4.407 1.00 0.00 N ATOM 715 CA LEU A 81 2.655 4.765 3.008 1.00 0.00 C ATOM 716 C LEU A 81 1.201 5.063 2.655 1.00 0.00 C ATOM 717 O LEU A 81 0.910 5.622 1.598 1.00 0.00 O ATOM 718 CB LEU A 81 2.970 3.296 2.722 1.00 0.00 C ATOM 719 CG LEU A 81 2.583 2.784 1.334 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.203 3.655 0.252 1.00 0.00 C ATOM 721 CD2 LEU A 81 3.009 1.333 1.162 1.00 0.00 C ATOM 0 H LEU A 81 3.271 4.289 4.956 1.00 0.00 H new ATOM 0 HA LEU A 81 3.295 5.395 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.040 3.141 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.462 2.684 3.468 1.00 0.00 H new ATOM 0 HG LEU A 81 1.499 2.837 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.917 3.276 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.848 4.680 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.289 3.635 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.725 0.986 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.090 1.255 1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.517 0.718 1.915 1.00 0.00 H new ATOM 733 N HIS A 82 0.292 4.688 3.550 1.00 0.00 N ATOM 734 CA HIS A 82 -1.132 4.918 3.335 1.00 0.00 C ATOM 735 C HIS A 82 -1.400 6.379 2.986 1.00 0.00 C ATOM 736 O HIS A 82 -2.064 6.678 1.994 1.00 0.00 O ATOM 737 CB HIS A 82 -1.927 4.525 4.580 1.00 0.00 C ATOM 738 CG HIS A 82 -2.381 3.097 4.576 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.070 2.530 3.525 1.00 0.00 N ATOM 740 CD2 HIS A 82 -2.238 2.120 5.501 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.334 1.266 3.805 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.838 0.992 4.998 1.00 0.00 N ATOM 0 H HIS A 82 0.516 4.224 4.430 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.453 4.298 2.498 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.313 4.700 5.463 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.798 5.174 4.664 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -3.335 3.011 2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.744 2.211 6.457 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.865 0.575 3.167 1.00 0.00 H new ATOM 750 N ASP A 83 -0.880 7.283 3.808 1.00 0.00 N ATOM 751 CA ASP A 83 -1.063 8.713 3.586 1.00 0.00 C ATOM 752 C ASP A 83 -0.493 9.130 2.234 1.00 0.00 C ATOM 753 O ASP A 83 -1.111 9.901 1.499 1.00 0.00 O ATOM 754 CB ASP A 83 -0.395 9.514 4.705 1.00 0.00 C ATOM 755 CG ASP A 83 -1.030 10.877 4.900 1.00 0.00 C ATOM 756 OD1 ASP A 83 -0.686 11.806 4.140 1.00 0.00 O ATOM 757 OD2 ASP A 83 -1.871 11.014 5.814 1.00 0.00 O ATOM 0 H ASP A 83 -0.328 7.052 4.634 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.133 8.923 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.456 8.951 5.637 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.663 9.639 4.477 1.00 0.00 H new ATOM 762 N VAL A 84 0.691 8.618 1.913 1.00 0.00 N ATOM 763 CA VAL A 84 1.345 8.937 0.650 1.00 0.00 C ATOM 764 C VAL A 84 0.495 8.496 -0.536 1.00 0.00 C ATOM 765 O VAL A 84 0.467 9.158 -1.574 1.00 0.00 O ATOM 766 CB VAL A 84 2.730 8.270 0.551 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.356 8.539 -0.809 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.637 8.758 1.670 1.00 0.00 C ATOM 0 H VAL A 84 1.217 7.980 2.511 1.00 0.00 H new ATOM 0 HA VAL A 84 1.468 10.020 0.622 1.00 0.00 H new ATOM 0 HB VAL A 84 2.604 7.193 0.660 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.334 8.060 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.713 8.136 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.470 9.614 -0.951 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.611 8.277 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.758 9.839 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.192 8.509 2.634 1.00 0.00 H new ATOM 778 N VAL A 85 -0.199 7.373 -0.375 1.00 0.00 N ATOM 779 CA VAL A 85 -1.052 6.843 -1.432 1.00 0.00 C ATOM 780 C VAL A 85 -2.314 7.683 -1.592 1.00 0.00 C ATOM 781 O VAL A 85 -2.580 8.222 -2.666 1.00 0.00 O ATOM 782 CB VAL A 85 -1.452 5.383 -1.151 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.405 4.875 -2.222 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.217 4.500 -1.063 1.00 0.00 C ATOM 0 H VAL A 85 -0.187 6.813 0.477 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.474 6.882 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.968 5.344 -0.191 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.677 3.842 -2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.304 5.492 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.919 4.927 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.518 3.472 -0.864 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.328 4.542 -2.006 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.425 4.852 -0.256 1.00 0.00 H new ATOM 794 N GLU A 86 -3.087 7.790 -0.516 1.00 0.00 N ATOM 795 CA GLU A 86 -4.323 8.565 -0.538 1.00 0.00 C ATOM 796 C GLU A 86 -4.087 9.948 -1.139 1.00 0.00 C ATOM 797 O GLU A 86 -4.961 10.505 -1.803 1.00 0.00 O ATOM 798 CB GLU A 86 -4.890 8.701 0.876 1.00 0.00 C ATOM 799 CG GLU A 86 -4.313 9.873 1.653 1.00 0.00 C ATOM 800 CD GLU A 86 -5.106 11.150 1.458 1.00 0.00 C ATOM 801 OE1 GLU A 86 -5.831 11.249 0.446 1.00 0.00 O ATOM 802 OE2 GLU A 86 -5.003 12.050 2.317 1.00 0.00 O ATOM 0 H GLU A 86 -2.880 7.351 0.381 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.044 8.035 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.972 8.814 0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.696 7.780 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.288 9.624 2.714 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.282 10.039 1.340 1.00 0.00 H new ATOM 809 N VAL A 87 -2.900 10.496 -0.900 1.00 0.00 N ATOM 810 CA VAL A 87 -2.548 11.813 -1.418 1.00 0.00 C ATOM 811 C VAL A 87 -2.212 11.747 -2.903 1.00 0.00 C ATOM 812 O VAL A 87 -2.625 12.606 -3.682 1.00 0.00 O ATOM 813 CB VAL A 87 -1.350 12.413 -0.657 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.952 13.751 -1.259 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.678 12.560 0.821 1.00 0.00 C ATOM 0 H VAL A 87 -2.166 10.049 -0.351 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.418 12.454 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.503 11.733 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.104 14.160 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.673 13.612 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.792 14.442 -1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.821 12.985 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.538 13.219 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.910 11.581 1.241 1.00 0.00 H new ATOM 825 N ALA A 88 -1.459 10.722 -3.290 1.00 0.00 N ATOM 826 CA ALA A 88 -1.069 10.543 -4.682 1.00 0.00 C ATOM 827 C ALA A 88 -2.293 10.431 -5.585 1.00 0.00 C ATOM 828 O ALA A 88 -2.269 10.865 -6.736 1.00 0.00 O ATOM 829 CB ALA A 88 -0.188 9.312 -4.830 1.00 0.00 C ATOM 0 H ALA A 88 -1.107 10.003 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.501 11.421 -4.990 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.096 9.191 -5.876 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.709 9.431 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.736 8.430 -4.498 1.00 0.00 H new ATOM 835 N GLY A 89 -3.362 9.845 -5.055 1.00 0.00 N ATOM 836 CA GLY A 89 -4.580 9.685 -5.828 1.00 0.00 C ATOM 837 C GLY A 89 -4.815 8.249 -6.250 1.00 0.00 C ATOM 838 O GLY A 89 -5.344 7.990 -7.332 1.00 0.00 O ATOM 0 H GLY A 89 -3.406 9.478 -4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.429 10.030 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.530 10.317 -6.714 1.00 0.00 H new ATOM 842 N LEU A 90 -4.420 7.311 -5.397 1.00 0.00 N ATOM 843 CA LEU A 90 -4.588 5.891 -5.688 1.00 0.00 C ATOM 844 C LEU A 90 -5.351 5.192 -4.567 1.00 0.00 C ATOM 845 O LEU A 90 -5.555 5.758 -3.493 1.00 0.00 O ATOM 846 CB LEU A 90 -3.225 5.225 -5.885 1.00 0.00 C ATOM 847 CG LEU A 90 -2.488 5.575 -7.178 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.070 5.027 -7.149 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.245 5.038 -8.385 1.00 0.00 C ATOM 0 H LEU A 90 -3.981 7.508 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.166 5.800 -6.608 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.587 5.493 -5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.363 4.144 -5.850 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.434 6.661 -7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.561 5.286 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.530 5.459 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.101 3.943 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.706 5.296 -9.297 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.330 3.954 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.241 5.479 -8.415 1.00 0.00 H new ATOM 861 N THR A 91 -5.770 3.957 -4.824 1.00 0.00 N ATOM 862 CA THR A 91 -6.510 3.180 -3.837 1.00 0.00 C ATOM 863 C THR A 91 -5.564 2.415 -2.919 1.00 0.00 C ATOM 864 O THR A 91 -4.599 1.802 -3.377 1.00 0.00 O ATOM 865 CB THR A 91 -7.470 2.183 -4.513 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.335 2.874 -5.420 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.301 1.444 -3.474 1.00 0.00 C ATOM 0 H THR A 91 -5.610 3.473 -5.707 1.00 0.00 H new ATOM 0 HA THR A 91 -7.091 3.889 -3.246 1.00 0.00 H new ATOM 0 HB THR A 91 -6.875 1.455 -5.064 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.941 2.233 -5.847 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.972 0.745 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.640 0.895 -2.803 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.887 2.161 -2.900 1.00 0.00 H new ATOM 875 N SER A 92 -5.846 2.453 -1.621 1.00 0.00 N ATOM 876 CA SER A 92 -5.018 1.766 -0.637 1.00 0.00 C ATOM 877 C SER A 92 -5.865 0.850 0.241 1.00 0.00 C ATOM 878 O SER A 92 -6.981 1.199 0.627 1.00 0.00 O ATOM 879 CB SER A 92 -4.273 2.780 0.232 1.00 0.00 C ATOM 880 OG SER A 92 -5.178 3.654 0.885 1.00 0.00 O ATOM 0 H SER A 92 -6.643 2.953 -1.226 1.00 0.00 H new ATOM 0 HA SER A 92 -4.291 1.156 -1.173 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.670 2.255 0.973 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.586 3.358 -0.386 1.00 0.00 H new ATOM 0 HG SER A 92 -4.677 4.292 1.436 1.00 0.00 H new ATOM 886 N PHE A 93 -5.326 -0.324 0.554 1.00 0.00 N ATOM 887 CA PHE A 93 -6.032 -1.291 1.386 1.00 0.00 C ATOM 888 C PHE A 93 -5.047 -2.183 2.137 1.00 0.00 C ATOM 889 O PHE A 93 -4.175 -2.809 1.534 1.00 0.00 O ATOM 890 CB PHE A 93 -6.964 -2.150 0.529 1.00 0.00 C ATOM 891 CG PHE A 93 -8.267 -1.478 0.203 1.00 0.00 C ATOM 892 CD1 PHE A 93 -9.178 -1.182 1.203 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.580 -1.142 -1.105 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.378 -0.565 0.905 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.779 -0.524 -1.408 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.678 -0.234 -0.402 1.00 0.00 C ATOM 0 H PHE A 93 -4.403 -0.628 0.244 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.626 -0.740 2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.455 -2.408 -0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.167 -3.085 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.948 -1.436 2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.879 -1.365 -1.896 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -11.081 -0.342 1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -10.012 -0.268 -2.431 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.614 0.251 -0.636 1.00 0.00 H new ATOM 906 N SER A 94 -5.193 -2.235 3.457 1.00 0.00 N ATOM 907 CA SER A 94 -4.315 -3.047 4.292 1.00 0.00 C ATOM 908 C SER A 94 -4.769 -4.503 4.303 1.00 0.00 C ATOM 909 O SER A 94 -5.892 -4.813 4.703 1.00 0.00 O ATOM 910 CB SER A 94 -4.285 -2.499 5.720 1.00 0.00 C ATOM 911 OG SER A 94 -5.589 -2.445 6.273 1.00 0.00 O ATOM 0 H SER A 94 -5.911 -1.725 3.971 1.00 0.00 H new ATOM 0 HA SER A 94 -3.310 -3.002 3.872 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.649 -3.129 6.341 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.845 -1.502 5.721 1.00 0.00 H new ATOM 0 HG SER A 94 -6.107 -3.218 5.965 1.00 0.00 H new ATOM 917 N PHE A 95 -3.888 -5.394 3.861 1.00 0.00 N ATOM 918 CA PHE A 95 -4.196 -6.819 3.818 1.00 0.00 C ATOM 919 C PHE A 95 -3.085 -7.636 4.471 1.00 0.00 C ATOM 920 O PHE A 95 -1.918 -7.528 4.096 1.00 0.00 O ATOM 921 CB PHE A 95 -4.399 -7.275 2.372 1.00 0.00 C ATOM 922 CG PHE A 95 -5.561 -6.611 1.691 1.00 0.00 C ATOM 923 CD1 PHE A 95 -6.833 -6.680 2.236 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.381 -5.917 0.505 1.00 0.00 C ATOM 925 CE1 PHE A 95 -7.904 -6.070 1.611 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.449 -5.305 -0.125 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.711 -5.381 0.430 1.00 0.00 C ATOM 0 H PHE A 95 -2.954 -5.154 3.527 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.118 -6.983 4.376 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.491 -7.071 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.548 -8.355 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.989 -7.217 3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.395 -5.853 0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.891 -6.132 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.296 -4.768 -1.050 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.546 -4.902 -0.059 1.00 0.00 H new ATOM 937 N GLY A 96 -3.457 -8.454 5.451 1.00 0.00 N ATOM 938 CA GLY A 96 -2.482 -9.277 6.141 1.00 0.00 C ATOM 939 C GLY A 96 -2.984 -10.685 6.391 1.00 0.00 C ATOM 940 O GLY A 96 -4.153 -10.884 6.720 1.00 0.00 O ATOM 0 H GLY A 96 -4.417 -8.561 5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.566 -9.321 5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.227 -8.811 7.093 1.00 0.00 H new ATOM 944 N GLU A 97 -2.099 -11.665 6.233 1.00 0.00 N ATOM 945 CA GLU A 97 -2.462 -13.062 6.442 1.00 0.00 C ATOM 946 C GLU A 97 -2.478 -13.403 7.929 1.00 0.00 C ATOM 947 O GLU A 97 -3.281 -14.220 8.380 1.00 0.00 O ATOM 948 CB GLU A 97 -1.483 -13.980 5.707 1.00 0.00 C ATOM 949 CG GLU A 97 -0.048 -13.852 6.190 1.00 0.00 C ATOM 950 CD GLU A 97 0.723 -12.779 5.445 1.00 0.00 C ATOM 951 OE1 GLU A 97 0.090 -11.996 4.708 1.00 0.00 O ATOM 952 OE2 GLU A 97 1.961 -12.724 5.601 1.00 0.00 O ATOM 0 H GLU A 97 -1.127 -11.517 5.961 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.464 -13.215 6.041 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.807 -15.014 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.520 -13.757 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.046 -13.622 7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.459 -14.809 6.069 1.00 0.00 H new ATOM 959 N ASP A 98 -1.586 -12.772 8.685 1.00 0.00 N ATOM 960 CA ASP A 98 -1.497 -13.008 10.121 1.00 0.00 C ATOM 961 C ASP A 98 -1.394 -11.690 10.882 1.00 0.00 C ATOM 962 O ASP A 98 -0.739 -10.750 10.431 1.00 0.00 O ATOM 963 CB ASP A 98 -0.291 -13.891 10.441 1.00 0.00 C ATOM 964 CG ASP A 98 -0.475 -14.681 11.722 1.00 0.00 C ATOM 965 OD1 ASP A 98 -1.398 -15.521 11.773 1.00 0.00 O ATOM 966 OD2 ASP A 98 0.303 -14.459 12.673 1.00 0.00 O ATOM 0 H ASP A 98 -0.914 -12.093 8.327 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.406 -13.520 10.437 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -0.119 -14.580 9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 98 0.599 -13.268 10.527 1.00 0.00 H new ATOM 971 N ASP A 99 -2.046 -11.628 12.038 1.00 0.00 N ATOM 972 CA ASP A 99 -2.029 -10.425 12.863 1.00 0.00 C ATOM 973 C ASP A 99 -0.608 -9.892 13.015 1.00 0.00 C ATOM 974 O ASP A 99 -0.383 -8.681 12.997 1.00 0.00 O ATOM 975 CB ASP A 99 -2.627 -10.716 14.240 1.00 0.00 C ATOM 976 CG ASP A 99 -4.114 -11.004 14.175 1.00 0.00 C ATOM 977 OD1 ASP A 99 -4.534 -11.761 13.275 1.00 0.00 O ATOM 978 OD2 ASP A 99 -4.859 -10.471 15.025 1.00 0.00 O ATOM 0 H ASP A 99 -2.593 -12.397 12.425 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.633 -9.665 12.367 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.113 -11.569 14.683 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -2.453 -9.863 14.896 1.00 0.00 H new ATOM 983 N ASP A 100 0.348 -10.802 13.165 1.00 0.00 N ATOM 984 CA ASP A 100 1.748 -10.423 13.320 1.00 0.00 C ATOM 985 C ASP A 100 2.284 -9.788 12.041 1.00 0.00 C ATOM 986 O ASP A 100 3.006 -8.791 12.087 1.00 0.00 O ATOM 987 CB ASP A 100 2.591 -11.645 13.689 1.00 0.00 C ATOM 988 CG ASP A 100 2.056 -12.371 14.908 1.00 0.00 C ATOM 989 OD1 ASP A 100 1.145 -13.210 14.746 1.00 0.00 O ATOM 990 OD2 ASP A 100 2.547 -12.100 16.024 1.00 0.00 O ATOM 0 H ASP A 100 0.179 -11.808 13.183 1.00 0.00 H new ATOM 0 HA ASP A 100 1.813 -9.689 14.124 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.619 -12.332 12.843 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.617 -11.331 13.878 1.00 0.00 H new ATOM 995 N CYS A 101 1.926 -10.370 10.902 1.00 0.00 N ATOM 996 CA CYS A 101 2.372 -9.861 9.610 1.00 0.00 C ATOM 997 C CYS A 101 1.253 -9.096 8.911 1.00 0.00 C ATOM 998 O CYS A 101 0.240 -9.677 8.522 1.00 0.00 O ATOM 999 CB CYS A 101 2.851 -11.012 8.724 1.00 0.00 C ATOM 1000 SG CYS A 101 3.765 -10.482 7.256 1.00 0.00 S ATOM 0 H CYS A 101 1.328 -11.195 10.847 1.00 0.00 H new ATOM 0 HA CYS A 101 3.202 -9.176 9.783 1.00 0.00 H new ATOM 0 HB2 CYS A 101 3.486 -11.672 9.315 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.987 -11.598 8.409 1.00 0.00 H new ATOM 0 HG CYS A 101 3.360 -11.161 6.224 1.00 0.00 H new ATOM 1006 N ARG A 102 1.444 -7.790 8.756 1.00 0.00 N ATOM 1007 CA ARG A 102 0.449 -6.945 8.106 1.00 0.00 C ATOM 1008 C ARG A 102 1.075 -6.149 6.965 1.00 0.00 C ATOM 1009 O ARG A 102 1.794 -5.177 7.194 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.182 -5.990 9.122 1.00 0.00 C ATOM 1011 CG ARG A 102 -1.400 -6.567 9.824 1.00 0.00 C ATOM 1012 CD ARG A 102 -2.596 -6.650 8.888 1.00 0.00 C ATOM 1013 NE ARG A 102 -3.389 -5.424 8.904 1.00 0.00 N ATOM 1014 CZ ARG A 102 -4.625 -5.342 8.425 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -5.207 -6.410 7.896 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -5.283 -4.191 8.475 1.00 0.00 N ATOM 0 H ARG A 102 2.278 -7.294 9.071 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.327 -7.591 7.694 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.565 -5.723 9.869 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.468 -5.069 8.614 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.165 -7.561 10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.653 -5.948 10.685 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.249 -6.844 7.873 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.225 -7.492 9.177 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.971 -4.585 9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.705 -7.297 7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.156 -6.344 7.529 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -4.840 -3.367 8.882 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.232 -4.130 8.107 1.00 0.00 H new ATOM 1030 N TYR A 103 0.795 -6.568 5.736 1.00 0.00 N ATOM 1031 CA TYR A 103 1.333 -5.897 4.558 1.00 0.00 C ATOM 1032 C TYR A 103 0.328 -4.895 3.997 1.00 0.00 C ATOM 1033 O TYR A 103 -0.851 -4.916 4.350 1.00 0.00 O ATOM 1034 CB TYR A 103 1.702 -6.922 3.485 1.00 0.00 C ATOM 1035 CG TYR A 103 0.512 -7.670 2.927 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.244 -7.139 1.890 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.144 -8.909 3.438 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.332 -7.819 1.378 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.941 -9.597 2.932 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.677 -9.048 1.902 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.759 -9.729 1.394 1.00 0.00 O ATOM 0 H TYR A 103 0.199 -7.369 5.529 1.00 0.00 H new ATOM 0 HA TYR A 103 2.231 -5.356 4.857 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.215 -6.413 2.669 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.406 -7.639 3.907 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.023 -6.178 1.477 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.717 -9.341 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.909 -7.391 0.572 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.212 -10.559 3.340 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.865 -10.578 1.872 1.00 0.00 H new ATOM 1051 N VAL A 104 0.805 -4.018 3.119 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.050 -3.008 2.506 1.00 0.00 C ATOM 1053 C VAL A 104 -0.133 -3.202 0.996 1.00 0.00 C ATOM 1054 O VAL A 104 0.844 -3.587 0.355 1.00 0.00 O ATOM 1055 CB VAL A 104 0.461 -1.585 2.802 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.835 -1.372 2.187 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.528 -0.548 2.293 1.00 0.00 C ATOM 0 H VAL A 104 1.779 -3.987 2.816 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.043 -3.127 2.940 1.00 0.00 H new ATOM 0 HB VAL A 104 0.552 -1.467 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.179 -0.361 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.537 -2.093 2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.775 -1.508 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.151 0.451 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.653 -0.662 1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.489 -0.689 2.787 1.00 0.00 H new ATOM 1067 N MET A 105 -1.307 -2.931 0.434 1.00 0.00 N ATOM 1068 CA MET A 105 -1.517 -3.075 -1.002 1.00 0.00 C ATOM 1069 C MET A 105 -2.137 -1.811 -1.589 1.00 0.00 C ATOM 1070 O MET A 105 -2.683 -0.981 -0.861 1.00 0.00 O ATOM 1071 CB MET A 105 -2.416 -4.279 -1.289 1.00 0.00 C ATOM 1072 CG MET A 105 -1.648 -5.576 -1.485 1.00 0.00 C ATOM 1073 SD MET A 105 -2.691 -6.914 -2.097 1.00 0.00 S ATOM 1074 CE MET A 105 -2.338 -6.843 -3.852 1.00 0.00 C ATOM 0 H MET A 105 -2.126 -2.611 0.951 1.00 0.00 H new ATOM 0 HA MET A 105 -0.547 -3.235 -1.472 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.118 -4.403 -0.465 1.00 0.00 H new ATOM 0 HB3 MET A 105 -3.006 -4.077 -2.183 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.831 -5.408 -2.186 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.199 -5.875 -0.538 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.272 -6.879 -4.413 1.00 0.00 H new ATOM 0 HE2 MET A 105 -1.813 -5.916 -4.080 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.714 -7.692 -4.132 1.00 0.00 H new ATOM 1084 N ILE A 106 -2.050 -1.671 -2.907 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.603 -0.509 -3.591 1.00 0.00 C ATOM 1086 C ILE A 106 -3.162 -0.890 -4.957 1.00 0.00 C ATOM 1087 O ILE A 106 -2.614 -1.749 -5.647 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.545 0.595 -3.771 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.425 0.113 -4.695 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.981 1.014 -2.421 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.428 1.233 -5.247 1.00 0.00 C ATOM 0 H ILE A 106 -1.601 -2.349 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.410 -0.128 -2.964 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.021 1.462 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.212 -0.582 -4.148 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.863 -0.442 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.234 1.795 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.786 1.393 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.518 0.154 -1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.201 0.817 -5.893 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.197 1.917 -5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.895 1.774 -4.424 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.257 -0.242 -5.344 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.890 -0.511 -6.629 1.00 0.00 C ATOM 1105 C PHE A 107 -5.105 0.781 -7.412 1.00 0.00 C ATOM 1106 O PHE A 107 -5.007 1.878 -6.861 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.229 -1.224 -6.423 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.087 -2.626 -5.904 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.569 -2.863 -4.641 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.473 -3.708 -6.680 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.437 -4.153 -4.162 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.344 -5.000 -6.206 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.827 -5.223 -4.945 1.00 0.00 C ATOM 0 H PHE A 107 -4.723 0.473 -4.785 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.226 -1.157 -7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.836 -0.646 -5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.768 -1.248 -7.370 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.265 -2.031 -4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.879 -3.539 -7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -5.029 -4.325 -3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.647 -5.834 -6.821 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.728 -6.231 -4.571 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.397 0.644 -8.701 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.626 1.799 -9.561 1.00 0.00 C ATOM 1125 C LYS A 108 -7.099 2.196 -9.556 1.00 0.00 C ATOM 1126 O LYS A 108 -7.950 1.459 -9.060 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.174 1.493 -10.991 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.723 1.852 -11.259 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.429 1.910 -12.749 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.254 2.828 -13.050 1.00 0.00 C ATOM 1131 NZ LYS A 108 -1.979 2.917 -14.511 1.00 0.00 N ATOM 0 H LYS A 108 -5.481 -0.256 -9.173 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.041 2.633 -9.172 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.320 0.431 -11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.810 2.038 -11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.496 2.816 -10.805 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.072 1.116 -10.787 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.212 0.907 -13.117 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.313 2.261 -13.282 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.462 3.824 -12.658 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.366 2.462 -12.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.951 2.918 -14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.404 2.100 -14.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.389 3.795 -14.889 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.392 3.367 -10.113 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.762 3.862 -10.176 1.00 0.00 C ATOM 1147 C LYS A 109 -9.640 2.930 -11.005 1.00 0.00 C ATOM 1148 O LYS A 109 -10.705 2.507 -10.558 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.789 5.271 -10.773 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.191 5.794 -11.035 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.163 7.111 -11.792 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.559 7.697 -11.942 1.00 0.00 C ATOM 1153 NZ LYS A 109 -11.527 9.054 -12.556 1.00 0.00 N ATOM 0 H LYS A 109 -6.699 3.990 -10.527 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.157 3.896 -9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.276 5.954 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.230 5.271 -11.708 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.754 5.057 -11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.713 5.929 -10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.524 7.821 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.724 6.956 -12.778 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.167 7.034 -12.557 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.037 7.752 -10.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.497 9.419 -12.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.968 9.693 -11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.094 8.998 -13.500 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.185 2.615 -12.213 1.00 0.00 N ATOM 1168 CA GLU A 110 -9.930 1.732 -13.103 1.00 0.00 C ATOM 1169 C GLU A 110 -9.826 0.281 -12.643 1.00 0.00 C ATOM 1170 O GLU A 110 -10.798 -0.472 -12.704 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.413 1.862 -14.537 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.033 0.864 -15.501 1.00 0.00 C ATOM 1173 CD GLU A 110 -11.548 0.924 -15.508 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -12.098 2.030 -15.326 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -12.183 -0.135 -15.694 1.00 0.00 O ATOM 0 H GLU A 110 -8.305 2.958 -12.598 1.00 0.00 H new ATOM 0 HA GLU A 110 -10.978 2.030 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.612 2.872 -14.896 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.331 1.731 -14.537 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.661 1.057 -16.507 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.714 -0.143 -15.231 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.640 -0.103 -12.182 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.408 -1.464 -11.713 1.00 0.00 C ATOM 1184 C PHE A 111 -8.665 -1.574 -10.213 1.00 0.00 C ATOM 1185 O PHE A 111 -8.223 -2.521 -9.563 1.00 0.00 O ATOM 1186 CB PHE A 111 -6.974 -1.897 -12.028 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.620 -1.782 -13.483 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.146 -2.667 -14.410 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.761 -0.788 -13.924 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -6.820 -2.563 -15.749 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.433 -0.679 -15.262 1.00 0.00 C ATOM 1192 CZ PHE A 111 -5.964 -1.567 -16.176 1.00 0.00 C ATOM 0 H PHE A 111 -7.826 0.508 -12.123 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.103 -2.124 -12.233 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.283 -1.289 -11.445 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.836 -2.930 -11.709 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.818 -3.447 -14.083 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.343 -0.090 -13.214 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.235 -3.261 -16.461 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.762 0.100 -15.592 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.711 -1.483 -17.222 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.384 -0.597 -9.669 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.702 -0.583 -8.247 1.00 0.00 C ATOM 1204 C ALA A 112 -10.714 -1.670 -7.900 1.00 0.00 C ATOM 1205 O ALA A 112 -11.614 -1.985 -8.679 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.232 0.784 -7.838 1.00 0.00 C ATOM 0 H ALA A 112 -9.757 0.195 -10.192 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.785 -0.786 -7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.465 0.780 -6.773 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.476 1.543 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.134 1.009 -8.406 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.565 -2.258 -6.704 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.457 -3.320 -6.227 1.00 0.00 C ATOM 1214 C PRO A 113 -12.855 -2.802 -5.908 1.00 0.00 C ATOM 1215 O PRO A 113 -13.032 -1.630 -5.576 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.767 -3.817 -4.955 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.958 -2.659 -4.485 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.515 -1.933 -5.725 1.00 0.00 C ATOM 0 HA PRO A 113 -11.606 -4.096 -6.978 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.495 -4.122 -4.203 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.137 -4.683 -5.159 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.548 -2.007 -3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.100 -2.993 -3.901 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.441 -0.859 -5.557 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.535 -2.271 -6.060 1.00 0.00 H new ATOM 1226 N SER A 114 -13.845 -3.682 -6.010 1.00 0.00 N ATOM 1227 CA SER A 114 -15.229 -3.313 -5.735 1.00 0.00 C ATOM 1228 C SER A 114 -15.570 -3.539 -4.265 1.00 0.00 C ATOM 1229 O SER A 114 -14.832 -4.208 -3.541 1.00 0.00 O ATOM 1230 CB SER A 114 -16.180 -4.119 -6.621 1.00 0.00 C ATOM 1231 OG SER A 114 -16.381 -3.479 -7.869 1.00 0.00 O ATOM 0 H SER A 114 -13.715 -4.657 -6.281 1.00 0.00 H new ATOM 0 HA SER A 114 -15.347 -2.253 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.773 -5.117 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.137 -4.243 -6.114 1.00 0.00 H new ATOM 0 HG SER A 114 -16.991 -4.015 -8.417 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.693 -2.977 -3.832 1.00 0.00 N ATOM 1238 CA ASP A 115 -17.133 -3.118 -2.449 1.00 0.00 C ATOM 1239 C ASP A 115 -17.273 -4.589 -2.070 1.00 0.00 C ATOM 1240 O ASP A 115 -16.519 -5.100 -1.242 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.466 -2.396 -2.240 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.929 -2.442 -0.797 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -18.148 -2.039 0.090 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -20.073 -2.882 -0.555 1.00 0.00 O ATOM 0 H ASP A 115 -17.315 -2.420 -4.418 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.378 -2.666 -1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -18.366 -1.357 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -19.225 -2.850 -2.877 1.00 0.00 H new ATOM 1249 N GLU A 116 -18.242 -5.263 -2.680 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.481 -6.675 -2.404 1.00 0.00 C ATOM 1251 C GLU A 116 -17.192 -7.481 -2.538 1.00 0.00 C ATOM 1252 O GLU A 116 -16.882 -8.319 -1.693 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.544 -7.230 -3.354 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.953 -6.760 -3.033 1.00 0.00 C ATOM 1255 CD GLU A 116 -22.012 -7.518 -3.810 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -21.987 -7.460 -5.057 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -22.865 -8.168 -3.171 1.00 0.00 O ATOM 0 H GLU A 116 -18.874 -4.855 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.839 -6.763 -1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.296 -6.937 -4.374 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.517 -8.319 -3.320 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.137 -6.878 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.037 -5.696 -3.255 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.446 -7.220 -3.608 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.192 -7.922 -3.853 1.00 0.00 C ATOM 1266 C GLU A 117 -14.211 -7.700 -2.706 1.00 0.00 C ATOM 1267 O GLU A 117 -13.538 -8.631 -2.260 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.569 -7.453 -5.169 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.521 -7.520 -6.352 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.799 -8.943 -6.797 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -15.018 -9.843 -6.425 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -16.796 -9.155 -7.517 1.00 0.00 O ATOM 0 H GLU A 117 -16.688 -6.529 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.409 -8.988 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.221 -6.427 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.692 -8.064 -5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.461 -7.037 -6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.099 -6.958 -7.185 1.00 0.00 H new ATOM 1279 N LEU A 118 -14.134 -6.462 -2.232 1.00 0.00 N ATOM 1280 CA LEU A 118 -13.235 -6.116 -1.136 1.00 0.00 C ATOM 1281 C LEU A 118 -13.494 -6.999 0.080 1.00 0.00 C ATOM 1282 O LEU A 118 -12.574 -7.613 0.621 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.404 -4.644 -0.757 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.689 -3.633 -1.654 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -13.281 -2.244 -1.472 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -11.196 -3.621 -1.359 1.00 0.00 C ATOM 0 H LEU A 118 -14.683 -5.680 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.212 -6.283 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.469 -4.410 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -13.047 -4.509 0.264 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.832 -3.933 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.759 -1.538 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.339 -2.262 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.170 -1.934 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.703 -2.896 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.033 -3.346 -0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.781 -4.612 -1.542 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.752 -7.060 0.503 1.00 0.00 N ATOM 1299 CA ASP A 119 -15.133 -7.872 1.654 1.00 0.00 C ATOM 1300 C ASP A 119 -14.677 -9.316 1.475 1.00 0.00 C ATOM 1301 O ASP A 119 -14.051 -9.895 2.364 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.648 -7.824 1.859 1.00 0.00 C ATOM 1303 CG ASP A 119 -17.065 -8.354 3.217 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.748 -9.523 3.520 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.709 -7.599 3.976 1.00 0.00 O ATOM 0 H ASP A 119 -15.525 -6.557 0.067 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.641 -7.462 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.994 -6.796 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -17.136 -8.408 1.079 1.00 0.00 H new ATOM 1310 N SER A 120 -14.994 -9.893 0.321 1.00 0.00 N ATOM 1311 CA SER A 120 -14.622 -11.272 0.028 1.00 0.00 C ATOM 1312 C SER A 120 -13.107 -11.412 -0.092 1.00 0.00 C ATOM 1313 O SER A 120 -12.539 -12.450 0.250 1.00 0.00 O ATOM 1314 CB SER A 120 -15.292 -11.740 -1.266 1.00 0.00 C ATOM 1315 OG SER A 120 -15.532 -13.136 -1.240 1.00 0.00 O ATOM 0 H SER A 120 -15.508 -9.427 -0.427 1.00 0.00 H new ATOM 0 HA SER A 120 -14.964 -11.897 0.853 1.00 0.00 H new ATOM 0 HB2 SER A 120 -16.234 -11.209 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.658 -11.493 -2.117 1.00 0.00 H new ATOM 0 HG SER A 120 -15.962 -13.410 -2.077 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.459 -10.359 -0.578 1.00 0.00 N ATOM 1322 CA TYR A 121 -11.010 -10.364 -0.745 1.00 0.00 C ATOM 1323 C TYR A 121 -10.309 -10.607 0.587 1.00 0.00 C ATOM 1324 O TYR A 121 -9.360 -11.388 0.669 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.541 -9.038 -1.347 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.500 -9.039 -2.858 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.700 -9.941 -3.550 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.260 -8.139 -3.595 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.659 -9.946 -4.931 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.225 -8.137 -4.975 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.423 -9.042 -5.639 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.385 -9.043 -7.015 1.00 0.00 O ATOM 0 H TYR A 121 -12.914 -9.492 -0.863 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.751 -11.176 -1.424 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -11.204 -8.241 -1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.546 -8.807 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -9.100 -10.650 -2.999 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.889 -7.429 -3.079 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.032 -10.654 -5.453 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.822 -7.430 -5.532 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.981 -8.346 -7.359 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.784 -9.934 1.630 1.00 0.00 N ATOM 1343 CA ARG A 122 -10.203 -10.076 2.960 1.00 0.00 C ATOM 1344 C ARG A 122 -10.533 -11.441 3.554 1.00 0.00 C ATOM 1345 O ARG A 122 -9.666 -12.110 4.117 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.714 -8.968 3.883 1.00 0.00 C ATOM 1347 CG ARG A 122 -10.285 -7.574 3.458 1.00 0.00 C ATOM 1348 CD ARG A 122 -11.223 -6.510 4.007 1.00 0.00 C ATOM 1349 NE ARG A 122 -10.667 -5.167 3.870 1.00 0.00 N ATOM 1350 CZ ARG A 122 -11.145 -4.105 4.510 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -12.182 -4.230 5.326 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -10.585 -2.915 4.333 1.00 0.00 N ATOM 0 H ARG A 122 -11.569 -9.285 1.580 1.00 0.00 H new ATOM 0 HA ARG A 122 -9.120 -9.992 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.803 -9.009 3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.356 -9.156 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -9.271 -7.382 3.808 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -10.263 -7.515 2.370 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -12.177 -6.563 3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.426 -6.713 5.059 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.868 -5.037 3.249 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -12.615 -5.143 5.464 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -12.547 -3.413 5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -9.787 -2.815 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -10.952 -2.100 4.825 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.792 -11.848 3.427 1.00 0.00 N ATOM 1367 CA ARG A 123 -12.236 -13.133 3.953 1.00 0.00 C ATOM 1368 C ARG A 123 -11.442 -14.279 3.332 1.00 0.00 C ATOM 1369 O ARG A 123 -11.257 -15.326 3.951 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.730 -13.329 3.684 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.623 -12.802 4.795 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.550 -11.286 4.897 1.00 0.00 C ATOM 1373 NE ARG A 123 -15.148 -10.791 6.134 1.00 0.00 N ATOM 1374 CZ ARG A 123 -14.511 -10.765 7.299 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -13.263 -11.202 7.386 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -15.123 -10.299 8.381 1.00 0.00 N ATOM 0 H ARG A 123 -12.522 -11.306 2.964 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.063 -13.136 5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.991 -12.829 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.929 -14.391 3.543 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -15.653 -13.106 4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -14.325 -13.246 5.745 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -13.508 -10.969 4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -15.061 -10.840 4.044 1.00 0.00 H new ATOM 0 HE ARG A 123 -16.107 -10.446 6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -12.789 -11.560 6.557 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -12.776 -11.181 8.282 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -16.083 -9.961 8.318 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -14.633 -10.279 9.275 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.976 -14.073 2.104 1.00 0.00 N ATOM 1391 CA GLY A 124 -10.209 -15.097 1.420 1.00 0.00 C ATOM 1392 C GLY A 124 -8.765 -15.142 1.879 1.00 0.00 C ATOM 1393 O GLY A 124 -7.845 -15.017 1.070 1.00 0.00 O ATOM 0 H GLY A 124 -11.116 -13.215 1.571 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -10.672 -16.069 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -10.240 -14.914 0.346 1.00 0.00 H new ATOM 1397 N SER A 125 -8.564 -15.320 3.181 1.00 0.00 N ATOM 1398 CA SER A 125 -7.222 -15.377 3.747 1.00 0.00 C ATOM 1399 C SER A 125 -7.169 -16.342 4.927 1.00 0.00 C ATOM 1400 O SER A 125 -8.127 -16.459 5.690 1.00 0.00 O ATOM 1401 CB SER A 125 -6.775 -13.983 4.194 1.00 0.00 C ATOM 1402 OG SER A 125 -7.492 -13.561 5.341 1.00 0.00 O ATOM 0 H SER A 125 -9.314 -15.427 3.864 1.00 0.00 H new ATOM 0 HA SER A 125 -6.544 -15.739 2.974 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.707 -13.993 4.412 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.928 -13.271 3.383 1.00 0.00 H new ATOM 0 HG SER A 125 -8.285 -13.056 5.064 1.00 0.00 H new ATOM 1408 N GLY A 126 -6.042 -17.034 5.068 1.00 0.00 N ATOM 1409 CA GLY A 126 -5.885 -17.981 6.156 1.00 0.00 C ATOM 1410 C GLY A 126 -7.182 -18.683 6.506 1.00 0.00 C ATOM 1411 O GLY A 126 -7.706 -19.485 5.732 1.00 0.00 O ATOM 0 H GLY A 126 -5.236 -16.955 4.448 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.136 -18.724 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.509 -17.459 7.036 1.00 0.00 H new ATOM 1415 N PRO A 127 -7.719 -18.385 7.698 1.00 0.00 N ATOM 1416 CA PRO A 127 -8.968 -18.984 8.176 1.00 0.00 C ATOM 1417 C PRO A 127 -10.183 -18.491 7.396 1.00 0.00 C ATOM 1418 O PRO A 127 -10.246 -17.329 6.996 1.00 0.00 O ATOM 1419 CB PRO A 127 -9.047 -18.524 9.634 1.00 0.00 C ATOM 1420 CG PRO A 127 -8.251 -17.266 9.678 1.00 0.00 C ATOM 1421 CD PRO A 127 -7.147 -17.439 8.671 1.00 0.00 C ATOM 0 HA PRO A 127 -8.973 -20.067 8.055 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -10.079 -18.350 9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -8.637 -19.275 10.309 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -8.871 -16.403 9.433 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -7.846 -17.095 10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -6.879 -16.492 8.202 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -6.241 -17.834 9.131 1.00 0.00 H new ATOM 1429 N SER A 128 -11.145 -19.383 7.184 1.00 0.00 N ATOM 1430 CA SER A 128 -12.357 -19.040 6.449 1.00 0.00 C ATOM 1431 C SER A 128 -13.549 -18.918 7.393 1.00 0.00 C ATOM 1432 O SER A 128 -13.452 -19.240 8.577 1.00 0.00 O ATOM 1433 CB SER A 128 -12.645 -20.094 5.378 1.00 0.00 C ATOM 1434 OG SER A 128 -11.769 -19.951 4.273 1.00 0.00 O ATOM 0 H SER A 128 -11.109 -20.349 7.511 1.00 0.00 H new ATOM 0 HA SER A 128 -12.199 -18.076 5.966 1.00 0.00 H new ATOM 0 HB2 SER A 128 -12.536 -21.091 5.806 1.00 0.00 H new ATOM 0 HB3 SER A 128 -13.678 -20.002 5.042 1.00 0.00 H new ATOM 0 HG SER A 128 -11.972 -20.637 3.603 1.00 0.00 H new ATOM 1440 N SER A 129 -14.673 -18.451 6.859 1.00 0.00 N ATOM 1441 CA SER A 129 -15.884 -18.282 7.653 1.00 0.00 C ATOM 1442 C SER A 129 -17.125 -18.614 6.830 1.00 0.00 C ATOM 1443 O SER A 129 -17.132 -18.462 5.609 1.00 0.00 O ATOM 1444 CB SER A 129 -15.977 -16.850 8.183 1.00 0.00 C ATOM 1445 OG SER A 129 -16.017 -15.915 7.119 1.00 0.00 O ATOM 0 H SER A 129 -14.770 -18.183 5.880 1.00 0.00 H new ATOM 0 HA SER A 129 -15.834 -18.971 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 129 -16.870 -16.744 8.799 1.00 0.00 H new ATOM 0 HB3 SER A 129 -15.121 -16.640 8.824 1.00 0.00 H new ATOM 0 HG SER A 129 -16.078 -15.007 7.483 1.00 0.00 H new ATOM 1451 N GLY A 130 -18.174 -19.067 7.508 1.00 0.00 N ATOM 1452 CA GLY A 130 -19.407 -19.413 6.824 1.00 0.00 C ATOM 1453 C GLY A 130 -20.599 -19.448 7.760 1.00 0.00 C ATOM 1454 O GLY A 130 -20.699 -18.636 8.679 1.00 0.00 O ATOM 0 H GLY A 130 -18.193 -19.201 8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -19.594 -18.690 6.030 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -19.294 -20.387 6.348 1.00 0.00 H new TER 1458 GLY A 130