USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=26 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 Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 14:sc= 0.418 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 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0938) USER MOD Single : A 52 MET CE :methyl -112:sc= -0.646 (180deg=-2.23!) USER MOD Single : A 54 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0563) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 63 SER OG : rot 180:sc= -0.129 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -143:sc= -0.148 (180deg=-0.851) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 73 MET CE :methyl 139:sc= -3.42 (180deg=-8.62!) USER MOD Single : A 74 ASN : amide:sc= -0.0571 K(o=-0.057,f=-6.8!) 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 82 HIS : no HD1:sc= -3.82! X(o=-3.8!,f=-3.7) USER MOD Single : A 91 THR OG1 : rot 111:sc= 0.146 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 30:sc= 0.733 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 145:sc= -0.799 (180deg=-2.1!) USER MOD Single : A 108 LYS NZ :NH3+ -134:sc= 1 (180deg=-0.206) USER MOD Single : A 109 LYS NZ :NH3+ -168:sc=-0.000734 (180deg=-0.0912) 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 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 33:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 24.436 7.083 13.266 1.00 0.00 N ATOM 2 CA GLY A 37 23.649 6.945 12.054 1.00 0.00 C ATOM 3 C GLY A 37 23.950 5.658 11.312 1.00 0.00 C ATOM 4 O GLY A 37 25.110 5.270 11.172 1.00 0.00 O ATOM 0 HA2 GLY A 37 22.589 6.976 12.307 1.00 0.00 H new ATOM 0 HA3 GLY A 37 23.845 7.793 11.398 1.00 0.00 H new ATOM 8 N SER A 38 22.903 4.992 10.836 1.00 0.00 N ATOM 9 CA SER A 38 23.060 3.738 10.108 1.00 0.00 C ATOM 10 C SER A 38 22.022 3.621 8.996 1.00 0.00 C ATOM 11 O SER A 38 20.832 3.443 9.259 1.00 0.00 O ATOM 12 CB SER A 38 22.936 2.551 11.064 1.00 0.00 C ATOM 13 OG SER A 38 22.932 1.323 10.356 1.00 0.00 O ATOM 0 H SER A 38 21.936 5.300 10.941 1.00 0.00 H new ATOM 0 HA SER A 38 24.052 3.730 9.657 1.00 0.00 H new ATOM 0 HB2 SER A 38 23.764 2.563 11.773 1.00 0.00 H new ATOM 0 HB3 SER A 38 22.018 2.642 11.645 1.00 0.00 H new ATOM 0 HG SER A 38 22.853 0.580 10.990 1.00 0.00 H new ATOM 19 N SER A 39 22.481 3.724 7.753 1.00 0.00 N ATOM 20 CA SER A 39 21.593 3.634 6.600 1.00 0.00 C ATOM 21 C SER A 39 20.824 2.316 6.608 1.00 0.00 C ATOM 22 O SER A 39 21.417 1.239 6.667 1.00 0.00 O ATOM 23 CB SER A 39 22.393 3.763 5.303 1.00 0.00 C ATOM 24 OG SER A 39 23.161 2.597 5.058 1.00 0.00 O ATOM 0 H SER A 39 23.463 3.870 7.519 1.00 0.00 H new ATOM 0 HA SER A 39 20.876 4.453 6.659 1.00 0.00 H new ATOM 0 HB2 SER A 39 21.713 3.936 4.469 1.00 0.00 H new ATOM 0 HB3 SER A 39 23.051 4.630 5.363 1.00 0.00 H new ATOM 0 HG SER A 39 22.858 1.876 5.649 1.00 0.00 H new ATOM 30 N GLY A 40 19.499 2.410 6.549 1.00 0.00 N ATOM 31 CA GLY A 40 18.670 1.219 6.550 1.00 0.00 C ATOM 32 C GLY A 40 17.216 1.525 6.847 1.00 0.00 C ATOM 33 O GLY A 40 16.834 2.688 6.982 1.00 0.00 O ATOM 0 H GLY A 40 18.985 3.290 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.744 0.728 5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 40 19.049 0.517 7.292 1.00 0.00 H new ATOM 37 N SER A 41 16.401 0.480 6.947 1.00 0.00 N ATOM 38 CA SER A 41 14.979 0.643 7.224 1.00 0.00 C ATOM 39 C SER A 41 14.763 1.447 8.503 1.00 0.00 C ATOM 40 O SER A 41 14.112 2.491 8.490 1.00 0.00 O ATOM 41 CB SER A 41 14.301 -0.723 7.347 1.00 0.00 C ATOM 42 OG SER A 41 14.528 -1.511 6.191 1.00 0.00 O ATOM 0 H SER A 41 16.701 -0.489 6.840 1.00 0.00 H new ATOM 0 HA SER A 41 14.533 1.188 6.392 1.00 0.00 H new ATOM 0 HB2 SER A 41 14.681 -1.243 8.226 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.229 -0.589 7.495 1.00 0.00 H new ATOM 0 HG SER A 41 14.086 -2.379 6.295 1.00 0.00 H new ATOM 48 N SER A 42 15.315 0.951 9.606 1.00 0.00 N ATOM 49 CA SER A 42 15.180 1.620 10.895 1.00 0.00 C ATOM 50 C SER A 42 15.920 2.955 10.894 1.00 0.00 C ATOM 51 O SER A 42 17.100 3.023 10.552 1.00 0.00 O ATOM 52 CB SER A 42 15.718 0.727 12.015 1.00 0.00 C ATOM 53 OG SER A 42 15.039 -0.516 12.046 1.00 0.00 O ATOM 0 H SER A 42 15.860 0.089 9.633 1.00 0.00 H new ATOM 0 HA SER A 42 14.121 1.811 11.069 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.785 0.559 11.869 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.603 1.232 12.974 1.00 0.00 H new ATOM 0 HG SER A 42 15.402 -1.069 12.769 1.00 0.00 H new ATOM 59 N GLY A 43 15.215 4.015 11.279 1.00 0.00 N ATOM 60 CA GLY A 43 15.820 5.333 11.316 1.00 0.00 C ATOM 61 C GLY A 43 14.797 6.435 11.512 1.00 0.00 C ATOM 62 O GLY A 43 14.424 6.749 12.642 1.00 0.00 O ATOM 0 H GLY A 43 14.237 3.984 11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.550 5.372 12.124 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.363 5.506 10.387 1.00 0.00 H new ATOM 66 N GLN A 44 14.344 7.023 10.410 1.00 0.00 N ATOM 67 CA GLN A 44 13.360 8.097 10.467 1.00 0.00 C ATOM 68 C GLN A 44 12.221 7.846 9.484 1.00 0.00 C ATOM 69 O GLN A 44 12.356 7.053 8.551 1.00 0.00 O ATOM 70 CB GLN A 44 14.023 9.442 10.165 1.00 0.00 C ATOM 71 CG GLN A 44 14.876 9.970 11.307 1.00 0.00 C ATOM 72 CD GLN A 44 16.012 10.853 10.827 1.00 0.00 C ATOM 73 OE1 GLN A 44 15.932 12.080 10.898 1.00 0.00 O ATOM 74 NE2 GLN A 44 17.077 10.232 10.336 1.00 0.00 N ATOM 0 H GLN A 44 14.643 6.774 9.467 1.00 0.00 H new ATOM 0 HA GLN A 44 12.946 8.122 11.475 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.645 9.340 9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 44 13.250 10.174 9.931 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.247 10.536 11.994 1.00 0.00 H new ATOM 0 HG3 GLN A 44 15.286 9.130 11.868 1.00 0.00 H new ATOM 0 HE21 GLN A 44 17.100 9.213 10.296 1.00 0.00 H new ATOM 0 HE22 GLN A 44 17.873 10.774 9.998 1.00 0.00 H new ATOM 83 N LYS A 45 11.100 8.525 9.698 1.00 0.00 N ATOM 84 CA LYS A 45 9.937 8.377 8.831 1.00 0.00 C ATOM 85 C LYS A 45 10.041 9.299 7.620 1.00 0.00 C ATOM 86 O LYS A 45 9.678 8.920 6.506 1.00 0.00 O ATOM 87 CB LYS A 45 8.654 8.681 9.608 1.00 0.00 C ATOM 88 CG LYS A 45 8.212 7.549 10.518 1.00 0.00 C ATOM 89 CD LYS A 45 8.819 7.679 11.905 1.00 0.00 C ATOM 90 CE LYS A 45 8.891 6.333 12.610 1.00 0.00 C ATOM 91 NZ LYS A 45 9.659 6.414 13.883 1.00 0.00 N ATOM 0 H LYS A 45 10.972 9.184 10.466 1.00 0.00 H new ATOM 0 HA LYS A 45 9.906 7.346 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.806 9.579 10.207 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.854 8.901 8.901 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.125 7.546 10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.503 6.594 10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.820 8.104 11.827 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.224 8.371 12.500 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.882 5.977 12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.358 5.602 11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.685 5.477 14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.630 6.729 13.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.199 7.093 14.523 1.00 0.00 H new ATOM 105 N VAL A 46 10.540 10.510 7.844 1.00 0.00 N ATOM 106 CA VAL A 46 10.694 11.485 6.771 1.00 0.00 C ATOM 107 C VAL A 46 11.293 10.840 5.526 1.00 0.00 C ATOM 108 O VAL A 46 10.624 10.708 4.501 1.00 0.00 O ATOM 109 CB VAL A 46 11.586 12.662 7.206 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.072 13.440 5.992 1.00 0.00 C ATOM 111 CG2 VAL A 46 10.837 13.572 8.167 1.00 0.00 C ATOM 0 H VAL A 46 10.845 10.840 8.760 1.00 0.00 H new ATOM 0 HA VAL A 46 9.698 11.861 6.539 1.00 0.00 H new ATOM 0 HB VAL A 46 12.457 12.262 7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.701 14.268 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.649 12.780 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.215 13.830 5.443 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.483 14.398 8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.947 13.966 7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.544 13.005 9.051 1.00 0.00 H new ATOM 121 N GLU A 47 12.557 10.440 5.622 1.00 0.00 N ATOM 122 CA GLU A 47 13.246 9.810 4.503 1.00 0.00 C ATOM 123 C GLU A 47 12.364 8.749 3.849 1.00 0.00 C ATOM 124 O GLU A 47 12.235 8.701 2.626 1.00 0.00 O ATOM 125 CB GLU A 47 14.558 9.179 4.972 1.00 0.00 C ATOM 126 CG GLU A 47 14.428 8.393 6.266 1.00 0.00 C ATOM 127 CD GLU A 47 15.738 7.769 6.704 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.688 8.525 6.995 1.00 0.00 O ATOM 129 OE2 GLU A 47 15.812 6.523 6.756 1.00 0.00 O ATOM 0 H GLU A 47 13.124 10.541 6.464 1.00 0.00 H new ATOM 0 HA GLU A 47 13.466 10.581 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.932 8.517 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.301 9.965 5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.064 9.054 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.682 7.609 6.137 1.00 0.00 H new ATOM 136 N PHE A 48 11.761 7.900 4.675 1.00 0.00 N ATOM 137 CA PHE A 48 10.893 6.838 4.178 1.00 0.00 C ATOM 138 C PHE A 48 9.771 7.411 3.317 1.00 0.00 C ATOM 139 O PHE A 48 9.551 6.967 2.190 1.00 0.00 O ATOM 140 CB PHE A 48 10.301 6.047 5.346 1.00 0.00 C ATOM 141 CG PHE A 48 9.335 4.979 4.919 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.785 3.837 4.275 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.978 5.116 5.161 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.898 2.853 3.880 1.00 0.00 C ATOM 145 CE2 PHE A 48 7.087 4.135 4.768 1.00 0.00 C ATOM 146 CZ PHE A 48 7.548 3.002 4.128 1.00 0.00 C ATOM 0 H PHE A 48 11.857 7.926 5.690 1.00 0.00 H new ATOM 0 HA PHE A 48 11.494 6.169 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.112 5.587 5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.793 6.736 6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.840 3.715 4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.612 6.000 5.663 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.261 1.968 3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.031 4.255 4.961 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.854 2.233 3.822 1.00 0.00 H new ATOM 156 N ARG A 49 9.064 8.399 3.857 1.00 0.00 N ATOM 157 CA ARG A 49 7.964 9.031 3.139 1.00 0.00 C ATOM 158 C ARG A 49 8.384 9.406 1.721 1.00 0.00 C ATOM 159 O ARG A 49 7.723 9.038 0.749 1.00 0.00 O ATOM 160 CB ARG A 49 7.489 10.278 3.888 1.00 0.00 C ATOM 161 CG ARG A 49 6.229 10.896 3.304 1.00 0.00 C ATOM 162 CD ARG A 49 5.402 11.590 4.375 1.00 0.00 C ATOM 163 NE ARG A 49 4.171 12.160 3.832 1.00 0.00 N ATOM 164 CZ ARG A 49 3.103 12.440 4.571 1.00 0.00 C ATOM 165 NH1 ARG A 49 3.114 12.204 5.875 1.00 0.00 N ATOM 166 NH2 ARG A 49 2.021 12.958 4.004 1.00 0.00 N ATOM 0 H ARG A 49 9.233 8.778 4.788 1.00 0.00 H new ATOM 0 HA ARG A 49 7.144 8.316 3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.306 10.018 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.286 11.022 3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.500 11.614 2.529 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.630 10.121 2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.155 10.877 5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.995 12.380 4.836 1.00 0.00 H new ATOM 0 HE ARG A 49 4.129 12.353 2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.944 11.806 6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.292 12.420 6.439 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.009 13.141 3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.201 13.173 4.571 1.00 0.00 H new ATOM 180 N LYS A 50 9.486 10.139 1.609 1.00 0.00 N ATOM 181 CA LYS A 50 9.995 10.563 0.311 1.00 0.00 C ATOM 182 C LYS A 50 10.132 9.374 -0.635 1.00 0.00 C ATOM 183 O LYS A 50 9.661 9.416 -1.772 1.00 0.00 O ATOM 184 CB LYS A 50 11.350 11.257 0.473 1.00 0.00 C ATOM 185 CG LYS A 50 11.301 12.485 1.366 1.00 0.00 C ATOM 186 CD LYS A 50 12.676 13.111 1.528 1.00 0.00 C ATOM 187 CE LYS A 50 12.585 14.511 2.115 1.00 0.00 C ATOM 188 NZ LYS A 50 12.071 15.496 1.124 1.00 0.00 N ATOM 0 H LYS A 50 10.044 10.452 2.403 1.00 0.00 H new ATOM 0 HA LYS A 50 9.282 11.267 -0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.066 10.546 0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.720 11.548 -0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.614 13.217 0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.908 12.209 2.345 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.289 12.483 2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.174 13.153 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.930 14.497 2.986 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.570 14.824 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.228 16.461 1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.572 15.374 0.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.053 15.343 0.978 1.00 0.00 H new ATOM 202 N ARG A 51 10.777 8.315 -0.158 1.00 0.00 N ATOM 203 CA ARG A 51 10.974 7.114 -0.961 1.00 0.00 C ATOM 204 C ARG A 51 9.640 6.577 -1.472 1.00 0.00 C ATOM 205 O ARG A 51 9.522 6.185 -2.633 1.00 0.00 O ATOM 206 CB ARG A 51 11.689 6.038 -0.141 1.00 0.00 C ATOM 207 CG ARG A 51 12.273 4.918 -0.986 1.00 0.00 C ATOM 208 CD ARG A 51 12.780 3.774 -0.120 1.00 0.00 C ATOM 209 NE ARG A 51 14.188 3.937 0.232 1.00 0.00 N ATOM 210 CZ ARG A 51 14.929 2.971 0.764 1.00 0.00 C ATOM 211 NH1 ARG A 51 14.398 1.780 1.003 1.00 0.00 N ATOM 212 NH2 ARG A 51 16.203 3.196 1.057 1.00 0.00 N ATOM 0 H ARG A 51 11.172 8.264 0.781 1.00 0.00 H new ATOM 0 HA ARG A 51 11.592 7.378 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.489 6.503 0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.987 5.613 0.576 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.514 4.546 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.091 5.307 -1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.183 3.716 0.790 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.646 2.831 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 51 14.626 4.842 0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.419 1.604 0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.969 1.040 1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.614 4.111 0.874 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.771 2.454 1.465 1.00 0.00 H new ATOM 226 N MET A 52 8.640 6.562 -0.597 1.00 0.00 N ATOM 227 CA MET A 52 7.315 6.073 -0.961 1.00 0.00 C ATOM 228 C MET A 52 6.697 6.940 -2.053 1.00 0.00 C ATOM 229 O MET A 52 6.133 6.427 -3.019 1.00 0.00 O ATOM 230 CB MET A 52 6.401 6.051 0.267 1.00 0.00 C ATOM 231 CG MET A 52 6.812 5.026 1.311 1.00 0.00 C ATOM 232 SD MET A 52 6.914 3.355 0.642 1.00 0.00 S ATOM 233 CE MET A 52 8.642 3.280 0.179 1.00 0.00 C ATOM 0 H MET A 52 8.722 6.882 0.368 1.00 0.00 H new ATOM 0 HA MET A 52 7.422 5.058 -1.344 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.396 7.041 0.724 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.380 5.842 -0.053 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.779 5.306 1.728 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.095 5.041 2.132 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.726 3.238 -0.907 1.00 0.00 H new ATOM 0 HE2 MET A 52 9.157 4.167 0.549 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.097 2.389 0.613 1.00 0.00 H new ATOM 243 N GLU A 53 6.806 8.255 -1.892 1.00 0.00 N ATOM 244 CA GLU A 53 6.256 9.191 -2.866 1.00 0.00 C ATOM 245 C GLU A 53 6.774 8.885 -4.268 1.00 0.00 C ATOM 246 O GLU A 53 6.010 8.862 -5.233 1.00 0.00 O ATOM 247 CB GLU A 53 6.613 10.629 -2.482 1.00 0.00 C ATOM 248 CG GLU A 53 6.067 11.051 -1.128 1.00 0.00 C ATOM 249 CD GLU A 53 5.903 12.553 -1.008 1.00 0.00 C ATOM 250 OE1 GLU A 53 6.927 13.267 -1.053 1.00 0.00 O ATOM 251 OE2 GLU A 53 4.751 13.016 -0.868 1.00 0.00 O ATOM 0 H GLU A 53 7.269 8.696 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 53 5.172 9.080 -2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.698 10.736 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.230 11.306 -3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.103 10.570 -0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.737 10.699 -0.344 1.00 0.00 H new ATOM 258 N LYS A 54 8.077 8.649 -4.373 1.00 0.00 N ATOM 259 CA LYS A 54 8.699 8.343 -5.656 1.00 0.00 C ATOM 260 C LYS A 54 8.156 7.036 -6.225 1.00 0.00 C ATOM 261 O LYS A 54 7.611 7.009 -7.328 1.00 0.00 O ATOM 262 CB LYS A 54 10.219 8.252 -5.501 1.00 0.00 C ATOM 263 CG LYS A 54 10.941 7.890 -6.787 1.00 0.00 C ATOM 264 CD LYS A 54 10.738 6.428 -7.149 1.00 0.00 C ATOM 265 CE LYS A 54 11.919 5.880 -7.935 1.00 0.00 C ATOM 266 NZ LYS A 54 13.104 5.644 -7.064 1.00 0.00 N ATOM 0 H LYS A 54 8.724 8.664 -3.584 1.00 0.00 H new ATOM 0 HA LYS A 54 8.459 9.149 -6.350 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.597 9.208 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.454 7.508 -4.740 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.578 8.520 -7.599 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.006 8.094 -6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.601 5.842 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.827 6.321 -7.737 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.632 4.946 -8.418 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.184 6.580 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.805 5.073 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.527 6.556 -6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.808 5.137 -6.205 1.00 0.00 H new ATOM 280 N GLU A 55 8.308 5.956 -5.465 1.00 0.00 N ATOM 281 CA GLU A 55 7.832 4.647 -5.895 1.00 0.00 C ATOM 282 C GLU A 55 6.388 4.726 -6.381 1.00 0.00 C ATOM 283 O GLU A 55 6.056 4.235 -7.460 1.00 0.00 O ATOM 284 CB GLU A 55 7.942 3.638 -4.750 1.00 0.00 C ATOM 285 CG GLU A 55 9.273 2.905 -4.711 1.00 0.00 C ATOM 286 CD GLU A 55 9.422 1.906 -5.841 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.382 2.329 -7.016 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.579 0.701 -5.552 1.00 0.00 O ATOM 0 H GLU A 55 8.757 5.962 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 55 8.458 4.315 -6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.795 4.158 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.137 2.908 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.085 3.631 -4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.370 2.386 -3.757 1.00 0.00 H new ATOM 295 N VAL A 56 5.532 5.347 -5.576 1.00 0.00 N ATOM 296 CA VAL A 56 4.123 5.491 -5.922 1.00 0.00 C ATOM 297 C VAL A 56 3.957 6.172 -7.276 1.00 0.00 C ATOM 298 O VAL A 56 3.404 5.592 -8.210 1.00 0.00 O ATOM 299 CB VAL A 56 3.363 6.301 -4.856 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.909 6.488 -5.262 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.462 5.620 -3.499 1.00 0.00 C ATOM 0 H VAL A 56 5.790 5.759 -4.679 1.00 0.00 H new ATOM 0 HA VAL A 56 3.704 4.486 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 56 3.823 7.286 -4.778 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.388 7.063 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.862 7.022 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.433 5.513 -5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.919 6.206 -2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.029 4.622 -3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.509 5.544 -3.206 1.00 0.00 H new ATOM 311 N SER A 57 4.440 7.406 -7.374 1.00 0.00 N ATOM 312 CA SER A 57 4.342 8.169 -8.614 1.00 0.00 C ATOM 313 C SER A 57 4.708 7.302 -9.815 1.00 0.00 C ATOM 314 O SER A 57 3.918 7.149 -10.747 1.00 0.00 O ATOM 315 CB SER A 57 5.257 9.394 -8.557 1.00 0.00 C ATOM 316 OG SER A 57 4.836 10.388 -9.474 1.00 0.00 O ATOM 0 H SER A 57 4.903 7.899 -6.611 1.00 0.00 H new ATOM 0 HA SER A 57 3.310 8.500 -8.728 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.259 9.804 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.281 9.097 -8.782 1.00 0.00 H new ATOM 0 HG SER A 57 5.436 11.161 -9.417 1.00 0.00 H new ATOM 322 N ASP A 58 5.910 6.737 -9.785 1.00 0.00 N ATOM 323 CA ASP A 58 6.381 5.885 -10.870 1.00 0.00 C ATOM 324 C ASP A 58 5.311 4.875 -11.272 1.00 0.00 C ATOM 325 O ASP A 58 5.037 4.683 -12.457 1.00 0.00 O ATOM 326 CB ASP A 58 7.659 5.154 -10.455 1.00 0.00 C ATOM 327 CG ASP A 58 8.147 4.190 -11.519 1.00 0.00 C ATOM 328 OD1 ASP A 58 7.665 3.039 -11.541 1.00 0.00 O ATOM 329 OD2 ASP A 58 9.011 4.587 -12.328 1.00 0.00 O ATOM 0 H ASP A 58 6.576 6.854 -9.021 1.00 0.00 H new ATOM 0 HA ASP A 58 6.597 6.520 -11.729 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.440 5.885 -10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.477 4.607 -9.530 1.00 0.00 H new ATOM 334 N PHE A 59 4.710 4.230 -10.277 1.00 0.00 N ATOM 335 CA PHE A 59 3.671 3.238 -10.527 1.00 0.00 C ATOM 336 C PHE A 59 2.447 3.882 -11.171 1.00 0.00 C ATOM 337 O PHE A 59 1.800 3.285 -12.033 1.00 0.00 O ATOM 338 CB PHE A 59 3.270 2.549 -9.221 1.00 0.00 C ATOM 339 CG PHE A 59 1.916 1.901 -9.275 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.765 2.660 -9.136 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.794 0.534 -9.466 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.483 2.067 -9.186 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.549 -0.063 -9.518 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.591 0.704 -9.376 1.00 0.00 C ATOM 0 H PHE A 59 4.925 4.377 -9.291 1.00 0.00 H new ATOM 0 HA PHE A 59 4.072 2.494 -11.215 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.016 1.793 -8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.281 3.282 -8.415 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.844 3.727 -8.987 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.682 -0.071 -9.575 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.373 2.670 -9.077 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.467 -1.129 -9.670 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.565 0.238 -9.414 1.00 0.00 H new ATOM 354 N ILE A 60 2.136 5.102 -10.747 1.00 0.00 N ATOM 355 CA ILE A 60 0.991 5.827 -11.283 1.00 0.00 C ATOM 356 C ILE A 60 1.081 5.954 -12.800 1.00 0.00 C ATOM 357 O ILE A 60 0.174 5.540 -13.521 1.00 0.00 O ATOM 358 CB ILE A 60 0.878 7.235 -10.668 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.639 7.138 -9.159 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.242 8.017 -11.337 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.815 8.454 -8.434 1.00 0.00 C ATOM 0 H ILE A 60 2.661 5.609 -10.034 1.00 0.00 H new ATOM 0 HA ILE A 60 0.103 5.252 -11.021 1.00 0.00 H new ATOM 0 HB ILE A 60 1.816 7.765 -10.836 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.371 6.767 -8.982 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.326 6.405 -8.737 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.309 9.010 -10.892 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.034 8.111 -12.403 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.187 7.492 -11.197 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.630 8.310 -7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.832 8.817 -8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.109 9.184 -8.829 1.00 0.00 H new ATOM 373 N GLN A 61 2.182 6.527 -13.276 1.00 0.00 N ATOM 374 CA GLN A 61 2.391 6.706 -14.708 1.00 0.00 C ATOM 375 C GLN A 61 2.353 5.367 -15.436 1.00 0.00 C ATOM 376 O GLN A 61 1.728 5.239 -16.489 1.00 0.00 O ATOM 377 CB GLN A 61 3.728 7.403 -14.966 1.00 0.00 C ATOM 378 CG GLN A 61 3.844 8.763 -14.297 1.00 0.00 C ATOM 379 CD GLN A 61 4.987 9.590 -14.852 1.00 0.00 C ATOM 380 OE1 GLN A 61 5.841 9.082 -15.579 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.010 10.873 -14.510 1.00 0.00 N ATOM 0 H GLN A 61 2.942 6.875 -12.692 1.00 0.00 H new ATOM 0 HA GLN A 61 1.584 7.330 -15.092 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.536 6.763 -14.612 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.864 7.523 -16.041 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.909 9.309 -14.427 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.987 8.626 -13.225 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.282 11.253 -13.905 1.00 0.00 H new ATOM 0 HE22 GLN A 61 5.756 11.479 -14.852 1.00 0.00 H new ATOM 390 N ASP A 62 3.026 4.372 -14.869 1.00 0.00 N ATOM 391 CA ASP A 62 3.068 3.041 -15.463 1.00 0.00 C ATOM 392 C ASP A 62 1.660 2.514 -15.718 1.00 0.00 C ATOM 393 O ASP A 62 0.859 2.380 -14.793 1.00 0.00 O ATOM 394 CB ASP A 62 3.830 2.076 -14.553 1.00 0.00 C ATOM 395 CG ASP A 62 5.330 2.146 -14.761 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.903 3.241 -14.581 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.931 1.106 -15.104 1.00 0.00 O ATOM 0 H ASP A 62 3.550 4.462 -13.999 1.00 0.00 H new ATOM 0 HA ASP A 62 3.588 3.114 -16.418 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.599 2.304 -13.512 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.487 1.058 -14.740 1.00 0.00 H new ATOM 402 N SER A 63 1.363 2.219 -16.980 1.00 0.00 N ATOM 403 CA SER A 63 0.049 1.711 -17.358 1.00 0.00 C ATOM 404 C SER A 63 0.001 0.191 -17.243 1.00 0.00 C ATOM 405 O SER A 63 -0.929 -0.370 -16.664 1.00 0.00 O ATOM 406 CB SER A 63 -0.294 2.137 -18.787 1.00 0.00 C ATOM 407 OG SER A 63 0.601 1.558 -19.720 1.00 0.00 O ATOM 0 H SER A 63 2.015 2.323 -17.758 1.00 0.00 H new ATOM 0 HA SER A 63 -0.687 2.133 -16.674 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.315 1.838 -19.024 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.254 3.223 -18.866 1.00 0.00 H new ATOM 0 HG SER A 63 0.360 1.844 -20.626 1.00 0.00 H new ATOM 413 N GLY A 64 1.011 -0.472 -17.799 1.00 0.00 N ATOM 414 CA GLY A 64 1.065 -1.921 -17.749 1.00 0.00 C ATOM 415 C GLY A 64 0.697 -2.468 -16.384 1.00 0.00 C ATOM 416 O GLY A 64 0.011 -3.484 -16.281 1.00 0.00 O ATOM 0 H GLY A 64 1.793 -0.031 -18.283 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.387 -2.333 -18.497 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.069 -2.253 -18.012 1.00 0.00 H new ATOM 420 N GLN A 65 1.155 -1.793 -15.335 1.00 0.00 N ATOM 421 CA GLN A 65 0.871 -2.220 -13.970 1.00 0.00 C ATOM 422 C GLN A 65 -0.455 -1.644 -13.484 1.00 0.00 C ATOM 423 O GLN A 65 -0.712 -0.448 -13.623 1.00 0.00 O ATOM 424 CB GLN A 65 2.001 -1.789 -13.033 1.00 0.00 C ATOM 425 CG GLN A 65 3.362 -2.342 -13.427 1.00 0.00 C ATOM 426 CD GLN A 65 4.457 -1.941 -12.458 1.00 0.00 C ATOM 427 OE1 GLN A 65 4.364 -2.197 -11.257 1.00 0.00 O ATOM 428 NE2 GLN A 65 5.503 -1.308 -12.976 1.00 0.00 N ATOM 0 H GLN A 65 1.724 -0.949 -15.404 1.00 0.00 H new ATOM 0 HA GLN A 65 0.798 -3.308 -13.964 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.052 -0.700 -13.015 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.765 -2.114 -12.020 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.307 -3.429 -13.478 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.618 -1.989 -14.426 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.539 -1.116 -13.977 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.271 -1.013 -12.373 1.00 0.00 H new ATOM 437 N ILE A 66 -1.293 -2.503 -12.914 1.00 0.00 N ATOM 438 CA ILE A 66 -2.593 -2.079 -12.407 1.00 0.00 C ATOM 439 C ILE A 66 -2.600 -2.033 -10.883 1.00 0.00 C ATOM 440 O ILE A 66 -3.405 -1.327 -10.276 1.00 0.00 O ATOM 441 CB ILE A 66 -3.717 -3.017 -12.886 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.438 -4.453 -12.438 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.857 -2.946 -14.399 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.684 -5.304 -12.327 1.00 0.00 C ATOM 0 H ILE A 66 -1.096 -3.496 -12.792 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.774 -1.078 -12.799 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.656 -2.693 -12.438 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.751 -4.919 -13.145 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.935 -4.432 -11.471 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.655 -3.614 -14.722 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.097 -1.925 -14.695 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.919 -3.248 -14.866 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.411 -6.309 -12.005 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.363 -4.861 -11.598 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.177 -5.356 -13.298 1.00 0.00 H new ATOM 456 N LYS A 67 -1.695 -2.788 -10.269 1.00 0.00 N ATOM 457 CA LYS A 67 -1.593 -2.832 -8.816 1.00 0.00 C ATOM 458 C LYS A 67 -0.147 -3.036 -8.377 1.00 0.00 C ATOM 459 O LYS A 67 0.698 -3.463 -9.165 1.00 0.00 O ATOM 460 CB LYS A 67 -2.470 -3.955 -8.256 1.00 0.00 C ATOM 461 CG LYS A 67 -1.915 -5.345 -8.514 1.00 0.00 C ATOM 462 CD LYS A 67 -2.820 -6.422 -7.939 1.00 0.00 C ATOM 463 CE LYS A 67 -2.445 -7.801 -8.460 1.00 0.00 C ATOM 464 NZ LYS A 67 -3.545 -8.786 -8.264 1.00 0.00 N ATOM 0 H LYS A 67 -1.021 -3.378 -10.756 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.942 -1.877 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.586 -3.813 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.464 -3.882 -8.696 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.801 -5.499 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.922 -5.429 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.753 -6.412 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.856 -6.204 -8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.201 -7.735 -9.520 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.548 -8.151 -7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.250 -9.713 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -3.761 -8.868 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.393 -8.465 -8.773 1.00 0.00 H new ATOM 478 N LYS A 68 0.133 -2.728 -7.115 1.00 0.00 N ATOM 479 CA LYS A 68 1.477 -2.880 -6.570 1.00 0.00 C ATOM 480 C LYS A 68 1.434 -3.513 -5.183 1.00 0.00 C ATOM 481 O LYS A 68 0.694 -3.064 -4.308 1.00 0.00 O ATOM 482 CB LYS A 68 2.178 -1.521 -6.501 1.00 0.00 C ATOM 483 CG LYS A 68 3.675 -1.620 -6.265 1.00 0.00 C ATOM 484 CD LYS A 68 4.388 -0.337 -6.659 1.00 0.00 C ATOM 485 CE LYS A 68 5.897 -0.520 -6.675 1.00 0.00 C ATOM 486 NZ LYS A 68 6.613 0.779 -6.809 1.00 0.00 N ATOM 0 H LYS A 68 -0.553 -2.371 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 68 2.038 -3.539 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.000 -0.982 -7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.731 -0.931 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.865 -1.835 -5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.080 -2.453 -6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.049 -0.019 -7.645 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.124 0.456 -5.960 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.212 -1.015 -5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.175 -1.174 -7.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.453 0.652 -7.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.981 1.481 -7.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.906 1.113 -5.868 1.00 0.00 H new ATOM 500 N LYS A 69 2.232 -4.557 -4.989 1.00 0.00 N ATOM 501 CA LYS A 69 2.288 -5.251 -3.708 1.00 0.00 C ATOM 502 C LYS A 69 3.549 -4.871 -2.938 1.00 0.00 C ATOM 503 O LYS A 69 4.665 -5.067 -3.419 1.00 0.00 O ATOM 504 CB LYS A 69 2.245 -6.765 -3.923 1.00 0.00 C ATOM 505 CG LYS A 69 2.370 -7.565 -2.638 1.00 0.00 C ATOM 506 CD LYS A 69 3.002 -8.924 -2.886 1.00 0.00 C ATOM 507 CE LYS A 69 3.086 -9.742 -1.606 1.00 0.00 C ATOM 508 NZ LYS A 69 4.331 -9.453 -0.843 1.00 0.00 N ATOM 0 H LYS A 69 2.850 -4.942 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 69 1.421 -4.949 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.308 -7.027 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.051 -7.051 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.972 -7.009 -1.919 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.384 -7.697 -2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.418 -9.468 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.001 -8.791 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.219 -9.528 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.048 -10.804 -1.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.350 -10.030 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.159 -9.681 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.355 -8.445 -0.587 1.00 0.00 H new ATOM 522 N PHE A 70 3.363 -4.328 -1.739 1.00 0.00 N ATOM 523 CA PHE A 70 4.486 -3.921 -0.902 1.00 0.00 C ATOM 524 C PHE A 70 4.762 -4.961 0.180 1.00 0.00 C ATOM 525 O PHE A 70 3.888 -5.753 0.531 1.00 0.00 O ATOM 526 CB PHE A 70 4.204 -2.561 -0.260 1.00 0.00 C ATOM 527 CG PHE A 70 4.372 -1.406 -1.204 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.634 -1.005 -1.612 1.00 0.00 C ATOM 529 CD2 PHE A 70 3.267 -0.719 -1.683 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.792 0.058 -2.482 1.00 0.00 C ATOM 531 CE2 PHE A 70 3.419 0.344 -2.553 1.00 0.00 C ATOM 532 CZ PHE A 70 4.683 0.734 -2.952 1.00 0.00 C ATOM 0 H PHE A 70 2.446 -4.160 -1.326 1.00 0.00 H new ATOM 0 HA PHE A 70 5.369 -3.839 -1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.186 -2.556 0.130 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.872 -2.424 0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.505 -1.529 -1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.277 -1.018 -1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.781 0.359 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.550 0.870 -2.921 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.804 1.566 -3.630 1.00 0.00 H new ATOM 542 N GLN A 71 5.983 -4.951 0.704 1.00 0.00 N ATOM 543 CA GLN A 71 6.375 -5.893 1.745 1.00 0.00 C ATOM 544 C GLN A 71 6.319 -5.238 3.121 1.00 0.00 C ATOM 545 O GLN A 71 6.730 -4.093 3.308 1.00 0.00 O ATOM 546 CB GLN A 71 7.784 -6.425 1.477 1.00 0.00 C ATOM 547 CG GLN A 71 7.881 -7.289 0.230 1.00 0.00 C ATOM 548 CD GLN A 71 9.275 -7.844 0.012 1.00 0.00 C ATOM 549 OE1 GLN A 71 10.088 -7.893 0.935 1.00 0.00 O ATOM 550 NE2 GLN A 71 9.559 -8.266 -1.215 1.00 0.00 N ATOM 0 H GLN A 71 6.718 -4.301 0.425 1.00 0.00 H new ATOM 0 HA GLN A 71 5.671 -6.725 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.469 -5.583 1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.114 -7.006 2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.174 -8.114 0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.588 -6.700 -0.639 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.855 -8.207 -1.950 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.481 -8.649 -1.422 1.00 0.00 H new ATOM 559 N PRO A 72 5.799 -5.981 4.110 1.00 0.00 N ATOM 560 CA PRO A 72 5.677 -5.492 5.487 1.00 0.00 C ATOM 561 C PRO A 72 7.031 -5.351 6.173 1.00 0.00 C ATOM 562 O PRO A 72 7.441 -6.220 6.942 1.00 0.00 O ATOM 563 CB PRO A 72 4.839 -6.573 6.174 1.00 0.00 C ATOM 564 CG PRO A 72 5.089 -7.808 5.379 1.00 0.00 C ATOM 565 CD PRO A 72 5.289 -7.354 3.960 1.00 0.00 C ATOM 0 HA PRO A 72 5.232 -4.498 5.529 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.138 -6.704 7.214 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.781 -6.311 6.177 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.968 -8.337 5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.248 -8.497 5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.998 -7.990 3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.357 -7.377 3.396 1.00 0.00 H new ATOM 573 N MET A 73 7.720 -4.250 5.891 1.00 0.00 N ATOM 574 CA MET A 73 9.028 -3.995 6.484 1.00 0.00 C ATOM 575 C MET A 73 8.885 -3.384 7.875 1.00 0.00 C ATOM 576 O MET A 73 9.595 -3.763 8.805 1.00 0.00 O ATOM 577 CB MET A 73 9.845 -3.064 5.587 1.00 0.00 C ATOM 578 CG MET A 73 10.265 -3.701 4.272 1.00 0.00 C ATOM 579 SD MET A 73 10.528 -2.487 2.965 1.00 0.00 S ATOM 580 CE MET A 73 8.847 -1.948 2.661 1.00 0.00 C ATOM 0 H MET A 73 7.395 -3.521 5.256 1.00 0.00 H new ATOM 0 HA MET A 73 9.549 -4.948 6.577 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.259 -2.169 5.377 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.736 -2.743 6.126 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.183 -4.269 4.425 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.500 -4.410 3.955 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.832 -0.868 2.516 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.463 -2.440 1.767 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.221 -2.208 3.515 1.00 0.00 H new ATOM 590 N ASN A 74 7.962 -2.436 8.008 1.00 0.00 N ATOM 591 CA ASN A 74 7.727 -1.773 9.285 1.00 0.00 C ATOM 592 C ASN A 74 6.246 -1.804 9.650 1.00 0.00 C ATOM 593 O ASN A 74 5.385 -1.961 8.784 1.00 0.00 O ATOM 594 CB ASN A 74 8.219 -0.325 9.229 1.00 0.00 C ATOM 595 CG ASN A 74 8.677 0.183 10.583 1.00 0.00 C ATOM 596 OD1 ASN A 74 7.949 0.089 11.571 1.00 0.00 O ATOM 597 ND2 ASN A 74 9.888 0.724 10.633 1.00 0.00 N ATOM 0 H ASN A 74 7.365 -2.110 7.247 1.00 0.00 H new ATOM 0 HA ASN A 74 8.284 -2.310 10.053 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.043 -0.251 8.519 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.418 0.314 8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.250 1.083 11.516 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.457 0.781 9.788 1.00 0.00 H new ATOM 604 N LYS A 75 5.957 -1.654 10.938 1.00 0.00 N ATOM 605 CA LYS A 75 4.580 -1.663 11.419 1.00 0.00 C ATOM 606 C LYS A 75 3.891 -0.336 11.121 1.00 0.00 C ATOM 607 O LYS A 75 2.690 -0.297 10.850 1.00 0.00 O ATOM 608 CB LYS A 75 4.547 -1.941 12.924 1.00 0.00 C ATOM 609 CG LYS A 75 5.673 -1.270 13.691 1.00 0.00 C ATOM 610 CD LYS A 75 5.432 -1.320 15.191 1.00 0.00 C ATOM 611 CE LYS A 75 6.618 -0.764 15.964 1.00 0.00 C ATOM 612 NZ LYS A 75 6.351 -0.713 17.428 1.00 0.00 N ATOM 0 H LYS A 75 6.658 -1.525 11.668 1.00 0.00 H new ATOM 0 HA LYS A 75 4.044 -2.455 10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.592 -1.603 13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.598 -3.017 13.087 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.617 -1.761 13.457 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.765 -0.232 13.371 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.536 -0.749 15.436 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.247 -2.350 15.497 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.496 -1.382 15.776 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.850 0.238 15.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.183 -0.328 17.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.529 -0.103 17.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.155 -1.672 17.779 1.00 0.00 H new ATOM 626 N ILE A 76 4.657 0.748 11.171 1.00 0.00 N ATOM 627 CA ILE A 76 4.119 2.076 10.903 1.00 0.00 C ATOM 628 C ILE A 76 4.249 2.434 9.426 1.00 0.00 C ATOM 629 O ILE A 76 3.607 3.368 8.946 1.00 0.00 O ATOM 630 CB ILE A 76 4.831 3.152 11.745 1.00 0.00 C ATOM 631 CG1 ILE A 76 4.879 2.731 13.215 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.128 4.493 11.595 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.520 2.704 13.880 1.00 0.00 C ATOM 0 H ILE A 76 5.652 0.733 11.395 1.00 0.00 H new ATOM 0 HA ILE A 76 3.064 2.051 11.177 1.00 0.00 H new ATOM 0 HB ILE A 76 5.854 3.258 11.383 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.329 1.741 13.287 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.528 3.417 13.760 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.643 5.243 12.196 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.141 4.796 10.548 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.096 4.403 11.934 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.630 2.397 14.920 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.076 3.698 13.840 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.874 1.997 13.359 1.00 0.00 H new ATOM 645 N GLU A 77 5.083 1.685 8.712 1.00 0.00 N ATOM 646 CA GLU A 77 5.295 1.923 7.289 1.00 0.00 C ATOM 647 C GLU A 77 3.969 1.928 6.534 1.00 0.00 C ATOM 648 O GLU A 77 3.777 2.707 5.600 1.00 0.00 O ATOM 649 CB GLU A 77 6.224 0.858 6.704 1.00 0.00 C ATOM 650 CG GLU A 77 5.853 0.436 5.292 1.00 0.00 C ATOM 651 CD GLU A 77 7.054 -0.015 4.483 1.00 0.00 C ATOM 652 OE1 GLU A 77 8.100 -0.318 5.095 1.00 0.00 O ATOM 653 OE2 GLU A 77 6.948 -0.065 3.240 1.00 0.00 O ATOM 0 H GLU A 77 5.623 0.909 9.095 1.00 0.00 H new ATOM 0 HA GLU A 77 5.760 2.902 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.245 1.239 6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.211 -0.019 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.126 -0.375 5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.369 1.270 4.783 1.00 0.00 H new ATOM 660 N ARG A 78 3.057 1.053 6.946 1.00 0.00 N ATOM 661 CA ARG A 78 1.750 0.955 6.309 1.00 0.00 C ATOM 662 C ARG A 78 0.995 2.277 6.408 1.00 0.00 C ATOM 663 O ARG A 78 0.399 2.738 5.435 1.00 0.00 O ATOM 664 CB ARG A 78 0.928 -0.163 6.953 1.00 0.00 C ATOM 665 CG ARG A 78 1.309 -1.554 6.472 1.00 0.00 C ATOM 666 CD ARG A 78 0.127 -2.508 6.533 1.00 0.00 C ATOM 667 NE ARG A 78 0.055 -3.210 7.812 1.00 0.00 N ATOM 668 CZ ARG A 78 -0.547 -2.718 8.888 1.00 0.00 C ATOM 669 NH1 ARG A 78 -1.128 -1.526 8.840 1.00 0.00 N ATOM 670 NH2 ARG A 78 -0.570 -3.417 10.015 1.00 0.00 N ATOM 0 H ARG A 78 3.200 0.402 7.718 1.00 0.00 H new ATOM 0 HA ARG A 78 1.904 0.723 5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.051 -0.116 8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.128 0.008 6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.680 -1.497 5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.123 -1.942 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.796 -1.952 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.206 -3.235 5.725 1.00 0.00 H new ATOM 0 HE ARG A 78 0.491 -4.129 7.882 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.113 -0.986 7.975 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.590 -1.150 9.668 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.125 -4.334 10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.033 -3.038 10.841 1.00 0.00 H new ATOM 684 N SER A 79 1.026 2.883 7.591 1.00 0.00 N ATOM 685 CA SER A 79 0.342 4.150 7.819 1.00 0.00 C ATOM 686 C SER A 79 0.939 5.254 6.951 1.00 0.00 C ATOM 687 O SER A 79 0.230 5.911 6.189 1.00 0.00 O ATOM 688 CB SER A 79 0.429 4.543 9.295 1.00 0.00 C ATOM 689 OG SER A 79 -0.551 5.512 9.624 1.00 0.00 O ATOM 0 H SER A 79 1.518 2.517 8.406 1.00 0.00 H new ATOM 0 HA SER A 79 -0.705 4.023 7.545 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.294 3.659 9.918 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.422 4.937 9.512 1.00 0.00 H new ATOM 0 HG SER A 79 -0.475 5.745 10.573 1.00 0.00 H new ATOM 695 N ILE A 80 2.248 5.451 7.073 1.00 0.00 N ATOM 696 CA ILE A 80 2.941 6.473 6.300 1.00 0.00 C ATOM 697 C ILE A 80 2.682 6.304 4.807 1.00 0.00 C ATOM 698 O ILE A 80 2.220 7.229 4.137 1.00 0.00 O ATOM 699 CB ILE A 80 4.460 6.437 6.552 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.754 6.572 8.048 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.154 7.541 5.769 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.164 6.176 8.425 1.00 0.00 C ATOM 0 H ILE A 80 2.849 4.916 7.700 1.00 0.00 H new ATOM 0 HA ILE A 80 2.549 7.436 6.628 1.00 0.00 H new ATOM 0 HB ILE A 80 4.847 5.477 6.209 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.582 7.604 8.352 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.050 5.954 8.606 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.227 7.502 5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.968 7.404 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.765 8.510 6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.301 6.297 9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.335 5.135 8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.874 6.811 7.895 1.00 0.00 H new ATOM 714 N LEU A 81 2.979 5.117 4.291 1.00 0.00 N ATOM 715 CA LEU A 81 2.776 4.824 2.876 1.00 0.00 C ATOM 716 C LEU A 81 1.312 5.004 2.488 1.00 0.00 C ATOM 717 O LEU A 81 1.003 5.483 1.396 1.00 0.00 O ATOM 718 CB LEU A 81 3.228 3.398 2.560 1.00 0.00 C ATOM 719 CG LEU A 81 2.718 2.808 1.245 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.333 3.535 0.059 1.00 0.00 C ATOM 721 CD2 LEU A 81 3.022 1.318 1.175 1.00 0.00 C ATOM 0 H LEU A 81 3.361 4.341 4.831 1.00 0.00 H new ATOM 0 HA LEU A 81 3.376 5.525 2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.318 3.379 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.909 2.748 3.375 1.00 0.00 H new ATOM 0 HG LEU A 81 1.637 2.940 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.958 3.101 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.064 4.591 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.418 3.435 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.652 0.915 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.099 1.163 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.533 0.808 2.005 1.00 0.00 H new ATOM 733 N HIS A 82 0.414 4.617 3.389 1.00 0.00 N ATOM 734 CA HIS A 82 -1.018 4.738 3.142 1.00 0.00 C ATOM 735 C HIS A 82 -1.390 6.177 2.796 1.00 0.00 C ATOM 736 O HIS A 82 -2.150 6.424 1.860 1.00 0.00 O ATOM 737 CB HIS A 82 -1.809 4.274 4.365 1.00 0.00 C ATOM 738 CG HIS A 82 -2.119 2.809 4.357 1.00 0.00 C ATOM 739 ND1 HIS A 82 -2.618 2.151 3.253 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.997 1.873 5.327 1.00 0.00 C ATOM 741 CE1 HIS A 82 -2.791 0.874 3.544 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.421 0.679 4.797 1.00 0.00 N ATOM 0 H HIS A 82 0.653 4.217 4.296 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.270 4.102 2.293 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.243 4.512 5.265 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.742 4.834 4.418 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.634 2.035 6.331 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.170 0.118 2.872 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.446 -0.213 5.291 1.00 0.00 H new ATOM 750 N ASP A 83 -0.850 7.122 3.558 1.00 0.00 N ATOM 751 CA ASP A 83 -1.125 8.536 3.333 1.00 0.00 C ATOM 752 C ASP A 83 -0.534 9.000 2.005 1.00 0.00 C ATOM 753 O ASP A 83 -1.170 9.741 1.255 1.00 0.00 O ATOM 754 CB ASP A 83 -0.559 9.377 4.478 1.00 0.00 C ATOM 755 CG ASP A 83 -1.124 10.783 4.498 1.00 0.00 C ATOM 756 OD1 ASP A 83 -0.589 11.647 3.773 1.00 0.00 O ATOM 757 OD2 ASP A 83 -2.101 11.020 5.240 1.00 0.00 O ATOM 0 H ASP A 83 -0.219 6.934 4.337 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.206 8.668 3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.778 8.887 5.427 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.526 9.426 4.387 1.00 0.00 H new ATOM 762 N VAL A 84 0.688 8.559 1.721 1.00 0.00 N ATOM 763 CA VAL A 84 1.365 8.929 0.484 1.00 0.00 C ATOM 764 C VAL A 84 0.558 8.496 -0.735 1.00 0.00 C ATOM 765 O VAL A 84 0.523 9.193 -1.749 1.00 0.00 O ATOM 766 CB VAL A 84 2.770 8.302 0.405 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.424 8.625 -0.930 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.633 8.783 1.561 1.00 0.00 C ATOM 0 H VAL A 84 1.229 7.945 2.331 1.00 0.00 H new ATOM 0 HA VAL A 84 1.459 10.015 0.487 1.00 0.00 H new ATOM 0 HB VAL A 84 2.671 7.219 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.416 8.174 -0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.813 8.227 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.513 9.706 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.622 8.330 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.727 9.868 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.170 8.496 2.505 1.00 0.00 H new ATOM 778 N VAL A 85 -0.090 7.340 -0.629 1.00 0.00 N ATOM 779 CA VAL A 85 -0.899 6.814 -1.722 1.00 0.00 C ATOM 780 C VAL A 85 -2.190 7.608 -1.882 1.00 0.00 C ATOM 781 O VAL A 85 -2.427 8.224 -2.920 1.00 0.00 O ATOM 782 CB VAL A 85 -1.246 5.330 -1.500 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.128 4.813 -2.625 1.00 0.00 C ATOM 784 CG2 VAL A 85 0.023 4.499 -1.382 1.00 0.00 C ATOM 0 H VAL A 85 -0.070 6.750 0.203 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.303 6.908 -2.630 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.801 5.241 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.362 3.763 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.052 5.390 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.603 4.914 -3.575 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.240 3.453 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.606 4.593 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.614 4.855 -0.538 1.00 0.00 H new ATOM 794 N GLU A 86 -3.022 7.589 -0.845 1.00 0.00 N ATOM 795 CA GLU A 86 -4.291 8.308 -0.871 1.00 0.00 C ATOM 796 C GLU A 86 -4.100 9.730 -1.390 1.00 0.00 C ATOM 797 O GLU A 86 -4.974 10.282 -2.059 1.00 0.00 O ATOM 798 CB GLU A 86 -4.911 8.343 0.527 1.00 0.00 C ATOM 799 CG GLU A 86 -4.418 9.497 1.384 1.00 0.00 C ATOM 800 CD GLU A 86 -4.608 9.245 2.867 1.00 0.00 C ATOM 801 OE1 GLU A 86 -4.759 8.068 3.255 1.00 0.00 O ATOM 802 OE2 GLU A 86 -4.605 10.226 3.640 1.00 0.00 O ATOM 0 H GLU A 86 -2.840 7.084 0.023 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.964 7.780 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.995 8.409 0.433 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.692 7.404 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.361 9.670 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.949 10.406 1.103 1.00 0.00 H new ATOM 809 N VAL A 87 -2.950 10.319 -1.076 1.00 0.00 N ATOM 810 CA VAL A 87 -2.643 11.677 -1.510 1.00 0.00 C ATOM 811 C VAL A 87 -2.320 11.717 -3.000 1.00 0.00 C ATOM 812 O VAL A 87 -2.790 12.594 -3.724 1.00 0.00 O ATOM 813 CB VAL A 87 -1.456 12.263 -0.723 1.00 0.00 C ATOM 814 CG1 VAL A 87 -1.038 13.604 -1.306 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.810 12.400 0.750 1.00 0.00 C ATOM 0 H VAL A 87 -2.216 9.877 -0.523 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.530 12.280 -1.317 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.612 11.578 -0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.198 14.002 -0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.741 13.472 -2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.875 14.300 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.960 12.816 1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.668 13.063 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.056 11.420 1.158 1.00 0.00 H new ATOM 825 N ALA A 88 -1.514 10.761 -3.451 1.00 0.00 N ATOM 826 CA ALA A 88 -1.130 10.686 -4.855 1.00 0.00 C ATOM 827 C ALA A 88 -2.354 10.531 -5.752 1.00 0.00 C ATOM 828 O ALA A 88 -2.374 11.018 -6.881 1.00 0.00 O ATOM 829 CB ALA A 88 -0.162 9.533 -5.076 1.00 0.00 C ATOM 0 H ALA A 88 -1.115 10.028 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.634 11.619 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.117 9.489 -6.129 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.731 9.687 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.639 8.597 -4.787 1.00 0.00 H new ATOM 835 N GLY A 89 -3.374 9.848 -5.240 1.00 0.00 N ATOM 836 CA GLY A 89 -4.587 9.640 -6.009 1.00 0.00 C ATOM 837 C GLY A 89 -4.762 8.196 -6.437 1.00 0.00 C ATOM 838 O GLY A 89 -5.235 7.921 -7.540 1.00 0.00 O ATOM 0 H GLY A 89 -3.382 9.435 -4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.448 9.946 -5.414 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.567 10.278 -6.893 1.00 0.00 H new ATOM 842 N LEU A 90 -4.379 7.272 -5.563 1.00 0.00 N ATOM 843 CA LEU A 90 -4.495 5.847 -5.857 1.00 0.00 C ATOM 844 C LEU A 90 -5.251 5.123 -4.748 1.00 0.00 C ATOM 845 O LEU A 90 -5.528 5.694 -3.693 1.00 0.00 O ATOM 846 CB LEU A 90 -3.107 5.228 -6.033 1.00 0.00 C ATOM 847 CG LEU A 90 -2.339 5.648 -7.286 1.00 0.00 C ATOM 848 CD1 LEU A 90 -0.911 5.129 -7.236 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.046 5.148 -8.538 1.00 0.00 C ATOM 0 H LEU A 90 -3.986 7.483 -4.646 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.055 5.736 -6.785 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.505 5.481 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.214 4.143 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.307 6.737 -7.321 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.380 5.438 -8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.407 5.536 -6.360 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.921 4.041 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.485 5.456 -9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.109 4.060 -8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.050 5.569 -8.581 1.00 0.00 H new ATOM 861 N THR A 91 -5.582 3.858 -4.993 1.00 0.00 N ATOM 862 CA THR A 91 -6.305 3.054 -4.016 1.00 0.00 C ATOM 863 C THR A 91 -5.343 2.285 -3.117 1.00 0.00 C ATOM 864 O THR A 91 -4.326 1.768 -3.579 1.00 0.00 O ATOM 865 CB THR A 91 -7.257 2.057 -4.702 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.045 2.732 -5.689 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.170 1.391 -3.684 1.00 0.00 C ATOM 0 H THR A 91 -5.360 3.369 -5.860 1.00 0.00 H new ATOM 0 HA THR A 91 -6.891 3.745 -3.410 1.00 0.00 H new ATOM 0 HB THR A 91 -6.655 1.287 -5.184 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.775 2.435 -6.583 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.833 0.691 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.568 0.853 -2.952 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.765 2.151 -3.177 1.00 0.00 H new ATOM 875 N SER A 92 -5.671 2.214 -1.831 1.00 0.00 N ATOM 876 CA SER A 92 -4.834 1.510 -0.867 1.00 0.00 C ATOM 877 C SER A 92 -5.666 0.544 -0.028 1.00 0.00 C ATOM 878 O SER A 92 -6.806 0.840 0.332 1.00 0.00 O ATOM 879 CB SER A 92 -4.119 2.509 0.045 1.00 0.00 C ATOM 880 OG SER A 92 -5.044 3.217 0.851 1.00 0.00 O ATOM 0 H SER A 92 -6.510 2.635 -1.433 1.00 0.00 H new ATOM 0 HA SER A 92 -4.090 0.936 -1.420 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.408 1.981 0.680 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.546 3.212 -0.559 1.00 0.00 H new ATOM 0 HG SER A 92 -4.562 3.848 1.426 1.00 0.00 H new ATOM 886 N PHE A 93 -5.087 -0.611 0.280 1.00 0.00 N ATOM 887 CA PHE A 93 -5.774 -1.622 1.076 1.00 0.00 C ATOM 888 C PHE A 93 -4.773 -2.559 1.746 1.00 0.00 C ATOM 889 O PHE A 93 -3.818 -3.016 1.119 1.00 0.00 O ATOM 890 CB PHE A 93 -6.734 -2.427 0.198 1.00 0.00 C ATOM 891 CG PHE A 93 -8.019 -1.708 -0.101 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.947 -1.476 0.901 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.297 -1.263 -1.383 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.130 -0.815 0.628 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.478 -0.601 -1.662 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.395 -0.376 -0.654 1.00 0.00 C ATOM 0 H PHE A 93 -4.144 -0.871 -0.009 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.344 -1.112 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.237 -2.671 -0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.962 -3.371 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.744 -1.815 1.906 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.582 -1.435 -2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.847 -0.642 1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.683 -0.260 -2.666 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.318 0.142 -0.868 1.00 0.00 H new ATOM 906 N SER A 94 -5.000 -2.841 3.025 1.00 0.00 N ATOM 907 CA SER A 94 -4.117 -3.719 3.783 1.00 0.00 C ATOM 908 C SER A 94 -4.617 -5.160 3.741 1.00 0.00 C ATOM 909 O SER A 94 -5.678 -5.477 4.280 1.00 0.00 O ATOM 910 CB SER A 94 -4.013 -3.246 5.234 1.00 0.00 C ATOM 911 OG SER A 94 -5.275 -3.294 5.877 1.00 0.00 O ATOM 0 H SER A 94 -5.788 -2.474 3.558 1.00 0.00 H new ATOM 0 HA SER A 94 -3.129 -3.681 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.302 -3.872 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.626 -2.227 5.261 1.00 0.00 H new ATOM 0 HG SER A 94 -5.816 -4.009 5.482 1.00 0.00 H new ATOM 917 N PHE A 95 -3.846 -6.029 3.096 1.00 0.00 N ATOM 918 CA PHE A 95 -4.210 -7.437 2.982 1.00 0.00 C ATOM 919 C PHE A 95 -3.127 -8.329 3.581 1.00 0.00 C ATOM 920 O PHE A 95 -1.963 -8.259 3.189 1.00 0.00 O ATOM 921 CB PHE A 95 -4.440 -7.808 1.515 1.00 0.00 C ATOM 922 CG PHE A 95 -5.584 -7.070 0.882 1.00 0.00 C ATOM 923 CD1 PHE A 95 -6.888 -7.302 1.291 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.356 -6.142 -0.122 1.00 0.00 C ATOM 925 CE1 PHE A 95 -7.942 -6.624 0.709 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.407 -5.461 -0.707 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.701 -5.702 -0.290 1.00 0.00 C ATOM 0 H PHE A 95 -2.965 -5.783 2.644 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.134 -7.595 3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.530 -7.605 0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.626 -8.880 1.445 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.082 -8.021 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.346 -5.949 -0.451 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.954 -6.815 1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.216 -4.741 -1.489 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.524 -5.170 -0.745 1.00 0.00 H new ATOM 937 N GLY A 96 -3.520 -9.168 4.535 1.00 0.00 N ATOM 938 CA GLY A 96 -2.572 -10.062 5.173 1.00 0.00 C ATOM 939 C GLY A 96 -3.136 -11.454 5.379 1.00 0.00 C ATOM 940 O GLY A 96 -4.348 -11.627 5.502 1.00 0.00 O ATOM 0 H GLY A 96 -4.478 -9.244 4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.670 -10.125 4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.277 -9.646 6.137 1.00 0.00 H new ATOM 944 N GLU A 97 -2.254 -12.448 5.416 1.00 0.00 N ATOM 945 CA GLU A 97 -2.672 -13.832 5.606 1.00 0.00 C ATOM 946 C GLU A 97 -2.819 -14.157 7.089 1.00 0.00 C ATOM 947 O GLU A 97 -3.728 -14.885 7.489 1.00 0.00 O ATOM 948 CB GLU A 97 -1.664 -14.786 4.961 1.00 0.00 C ATOM 949 CG GLU A 97 -1.489 -14.567 3.467 1.00 0.00 C ATOM 950 CD GLU A 97 -0.150 -15.065 2.958 1.00 0.00 C ATOM 951 OE1 GLU A 97 0.121 -16.277 3.087 1.00 0.00 O ATOM 952 OE2 GLU A 97 0.626 -14.241 2.430 1.00 0.00 O ATOM 0 H GLU A 97 -1.247 -12.321 5.317 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.642 -13.961 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.698 -14.668 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.986 -15.813 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.290 -15.078 2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.585 -13.504 3.245 1.00 0.00 H new ATOM 959 N ASP A 98 -1.918 -13.614 7.900 1.00 0.00 N ATOM 960 CA ASP A 98 -1.946 -13.845 9.340 1.00 0.00 C ATOM 961 C ASP A 98 -1.938 -12.524 10.103 1.00 0.00 C ATOM 962 O ASP A 98 -1.201 -11.601 9.757 1.00 0.00 O ATOM 963 CB ASP A 98 -0.751 -14.701 9.764 1.00 0.00 C ATOM 964 CG ASP A 98 -0.771 -16.077 9.130 1.00 0.00 C ATOM 965 OD1 ASP A 98 -1.040 -16.166 7.914 1.00 0.00 O ATOM 966 OD2 ASP A 98 -0.518 -17.066 9.849 1.00 0.00 O ATOM 0 H ASP A 98 -1.159 -13.010 7.585 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.867 -14.376 9.580 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.173 -14.191 9.490 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.748 -14.804 10.849 1.00 0.00 H new ATOM 971 N ASP A 99 -2.763 -12.441 11.141 1.00 0.00 N ATOM 972 CA ASP A 99 -2.851 -11.233 11.953 1.00 0.00 C ATOM 973 C ASP A 99 -1.462 -10.697 12.282 1.00 0.00 C ATOM 974 O ASP A 99 -1.220 -9.491 12.220 1.00 0.00 O ATOM 975 CB ASP A 99 -3.621 -11.516 13.244 1.00 0.00 C ATOM 976 CG ASP A 99 -3.618 -10.332 14.191 1.00 0.00 C ATOM 977 OD1 ASP A 99 -2.544 -9.722 14.375 1.00 0.00 O ATOM 978 OD2 ASP A 99 -4.690 -10.016 14.747 1.00 0.00 O ATOM 0 H ASP A 99 -3.380 -13.196 11.440 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.386 -10.477 11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -4.650 -11.779 13.000 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.181 -12.379 13.744 1.00 0.00 H new ATOM 983 N ASP A 100 -0.552 -11.600 12.632 1.00 0.00 N ATOM 984 CA ASP A 100 0.813 -11.218 12.971 1.00 0.00 C ATOM 985 C ASP A 100 1.541 -10.663 11.750 1.00 0.00 C ATOM 986 O ASP A 100 2.262 -9.668 11.844 1.00 0.00 O ATOM 987 CB ASP A 100 1.577 -12.418 13.533 1.00 0.00 C ATOM 988 CG ASP A 100 2.740 -12.003 14.413 1.00 0.00 C ATOM 989 OD1 ASP A 100 2.566 -11.073 15.227 1.00 0.00 O ATOM 990 OD2 ASP A 100 3.825 -12.609 14.286 1.00 0.00 O ATOM 0 H ASP A 100 -0.736 -12.602 12.688 1.00 0.00 H new ATOM 0 HA ASP A 100 0.767 -10.438 13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.894 -13.043 14.109 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.948 -13.027 12.709 1.00 0.00 H new ATOM 995 N CYS A 101 1.349 -11.313 10.608 1.00 0.00 N ATOM 996 CA CYS A 101 1.989 -10.885 9.368 1.00 0.00 C ATOM 997 C CYS A 101 0.964 -10.308 8.398 1.00 0.00 C ATOM 998 O CYS A 101 0.157 -11.040 7.824 1.00 0.00 O ATOM 999 CB CYS A 101 2.722 -12.060 8.717 1.00 0.00 C ATOM 1000 SG CYS A 101 3.900 -11.575 7.435 1.00 0.00 S ATOM 0 H CYS A 101 0.756 -12.138 10.514 1.00 0.00 H new ATOM 0 HA CYS A 101 2.711 -10.105 9.610 1.00 0.00 H new ATOM 0 HB2 CYS A 101 3.251 -12.617 9.490 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.987 -12.737 8.283 1.00 0.00 H new ATOM 0 HG CYS A 101 4.471 -12.636 6.946 1.00 0.00 H new ATOM 1006 N ARG A 102 1.000 -8.992 8.221 1.00 0.00 N ATOM 1007 CA ARG A 102 0.072 -8.316 7.322 1.00 0.00 C ATOM 1008 C ARG A 102 0.813 -7.352 6.401 1.00 0.00 C ATOM 1009 O ARG A 102 1.481 -6.426 6.861 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.988 -7.559 8.125 1.00 0.00 C ATOM 1011 CG ARG A 102 -0.406 -6.617 9.166 1.00 0.00 C ATOM 1012 CD ARG A 102 -1.455 -6.193 10.182 1.00 0.00 C ATOM 1013 NE ARG A 102 -0.867 -5.903 11.487 1.00 0.00 N ATOM 1014 CZ ARG A 102 -1.580 -5.763 12.600 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -2.899 -5.888 12.566 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -0.972 -5.500 13.749 1.00 0.00 N ATOM 0 H ARG A 102 1.662 -8.372 8.688 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.418 -9.072 6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.612 -6.987 7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.638 -8.279 8.622 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.422 -7.107 9.679 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.002 -5.735 8.673 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.978 -5.310 9.816 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.198 -6.983 10.287 1.00 0.00 H new ATOM 0 HE ARG A 102 0.146 -5.802 11.548 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.369 -6.092 11.684 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.444 -5.780 13.422 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.043 -5.405 13.779 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.520 -5.393 14.603 1.00 0.00 H new ATOM 1030 N TYR A 103 0.689 -7.575 5.097 1.00 0.00 N ATOM 1031 CA TYR A 103 1.349 -6.729 4.110 1.00 0.00 C ATOM 1032 C TYR A 103 0.398 -5.655 3.590 1.00 0.00 C ATOM 1033 O TYR A 103 -0.814 -5.734 3.789 1.00 0.00 O ATOM 1034 CB TYR A 103 1.867 -7.575 2.946 1.00 0.00 C ATOM 1035 CG TYR A 103 0.785 -8.354 2.235 1.00 0.00 C ATOM 1036 CD1 TYR A 103 0.257 -9.513 2.791 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.289 -7.932 1.008 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -0.732 -10.230 2.145 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.701 -8.641 0.355 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.208 -9.789 0.927 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.193 -10.499 0.280 1.00 0.00 O ATOM 0 H TYR A 103 0.137 -8.335 4.699 1.00 0.00 H new ATOM 0 HA TYR A 103 2.192 -6.238 4.596 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.365 -6.924 2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.618 -8.271 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.626 -9.860 3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.684 -7.034 0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.130 -11.130 2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.076 -8.298 -0.598 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.416 -10.054 -0.564 1.00 0.00 H new ATOM 1051 N VAL A 104 0.957 -4.652 2.921 1.00 0.00 N ATOM 1052 CA VAL A 104 0.160 -3.563 2.369 1.00 0.00 C ATOM 1053 C VAL A 104 0.134 -3.618 0.846 1.00 0.00 C ATOM 1054 O VAL A 104 1.152 -3.881 0.206 1.00 0.00 O ATOM 1055 CB VAL A 104 0.701 -2.191 2.813 1.00 0.00 C ATOM 1056 CG1 VAL A 104 2.183 -2.071 2.488 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.090 -1.069 2.157 1.00 0.00 C ATOM 0 H VAL A 104 1.959 -4.571 2.748 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.853 -3.687 2.751 1.00 0.00 H new ATOM 0 HB VAL A 104 0.582 -2.105 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.548 -1.095 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.734 -2.854 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.330 -2.178 1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.306 -0.107 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.005 -1.149 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.138 -1.146 2.445 1.00 0.00 H new ATOM 1067 N MET A 105 -1.037 -3.368 0.270 1.00 0.00 N ATOM 1068 CA MET A 105 -1.196 -3.387 -1.180 1.00 0.00 C ATOM 1069 C MET A 105 -1.871 -2.110 -1.670 1.00 0.00 C ATOM 1070 O MET A 105 -2.494 -1.388 -0.891 1.00 0.00 O ATOM 1071 CB MET A 105 -2.014 -4.607 -1.608 1.00 0.00 C ATOM 1072 CG MET A 105 -1.180 -5.866 -1.784 1.00 0.00 C ATOM 1073 SD MET A 105 -2.046 -7.148 -2.710 1.00 0.00 S ATOM 1074 CE MET A 105 -1.633 -6.689 -4.392 1.00 0.00 C ATOM 0 H MET A 105 -1.890 -3.150 0.785 1.00 0.00 H new ATOM 0 HA MET A 105 -0.204 -3.447 -1.629 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.788 -4.795 -0.864 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.522 -4.383 -2.546 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.253 -5.614 -2.299 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.904 -6.255 -0.804 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.519 -7.588 -4.997 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.430 -6.072 -4.807 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.699 -6.127 -4.397 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.742 -1.837 -2.964 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.340 -0.648 -3.557 1.00 0.00 C ATOM 1086 C ILE A 106 -2.918 -0.951 -4.935 1.00 0.00 C ATOM 1087 O ILE A 106 -2.353 -1.737 -5.697 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.316 0.495 -3.682 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.133 0.056 -4.547 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.838 0.932 -2.305 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.656 1.211 -5.124 1.00 0.00 C ATOM 0 H ILE A 106 -1.228 -2.424 -3.622 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.143 -0.334 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.800 1.345 -4.164 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.533 -0.565 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.501 -0.566 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.115 1.741 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.688 1.280 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.368 0.089 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.479 0.825 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.004 1.821 -5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.054 1.821 -4.313 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.045 -0.322 -5.250 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.699 -0.524 -6.537 1.00 0.00 C ATOM 1105 C PHE A 107 -4.908 0.806 -7.256 1.00 0.00 C ATOM 1106 O PHE A 107 -4.848 1.872 -6.643 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.043 -1.229 -6.346 1.00 0.00 C ATOM 1108 CG PHE A 107 -5.916 -2.628 -5.814 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.326 -2.865 -4.583 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.386 -3.707 -6.546 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.207 -4.151 -4.092 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.269 -4.996 -6.060 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.680 -5.218 -4.831 1.00 0.00 C ATOM 0 H PHE A 107 -4.524 0.332 -4.631 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.052 -1.151 -7.150 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.657 -0.643 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.568 -1.258 -7.301 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.955 -2.035 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.849 -3.539 -7.507 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.745 -4.322 -3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.638 -5.828 -6.641 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.589 -6.224 -4.448 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.152 0.735 -8.560 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.371 1.931 -9.364 1.00 0.00 C ATOM 1125 C LYS A 108 -6.818 2.402 -9.257 1.00 0.00 C ATOM 1126 O LYS A 108 -7.655 1.735 -8.650 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.019 1.658 -10.828 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.571 1.959 -11.172 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.352 2.001 -12.675 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.174 2.891 -13.043 1.00 0.00 C ATOM 1131 NZ LYS A 108 -1.917 2.893 -14.509 1.00 0.00 N ATOM 0 H LYS A 108 -5.203 -0.139 -9.083 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.722 2.719 -8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.227 0.612 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.668 2.258 -11.467 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.283 2.915 -10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.926 1.200 -10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.176 0.991 -13.046 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.254 2.368 -13.165 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.370 3.909 -12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.282 2.548 -12.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.899 2.774 -14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.438 2.110 -14.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.235 3.796 -14.916 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.106 3.555 -9.852 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.452 4.114 -9.826 1.00 0.00 C ATOM 1147 C LYS A 109 -9.421 3.235 -10.610 1.00 0.00 C ATOM 1148 O LYS A 109 -10.491 2.882 -10.115 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.449 5.531 -10.406 1.00 0.00 C ATOM 1150 CG LYS A 109 -9.835 6.137 -10.537 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.435 6.457 -9.178 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.670 7.335 -9.307 1.00 0.00 C ATOM 1153 NZ LYS A 109 -11.320 8.735 -9.673 1.00 0.00 N ATOM 0 H LYS A 109 -6.425 4.120 -10.358 1.00 0.00 H new ATOM 0 HA LYS A 109 -8.783 4.153 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.839 6.173 -9.771 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -7.976 5.512 -11.388 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.780 7.047 -11.135 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.487 5.445 -11.070 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.698 5.530 -8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.692 6.961 -8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.335 6.917 -10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -12.218 7.332 -8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.155 9.344 -9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.553 9.074 -9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.007 8.767 -10.664 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.039 2.885 -11.834 1.00 0.00 N ATOM 1168 CA GLU A 110 -9.875 2.046 -12.684 1.00 0.00 C ATOM 1169 C GLU A 110 -9.796 0.584 -12.253 1.00 0.00 C ATOM 1170 O GLU A 110 -10.802 -0.126 -12.238 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.450 2.180 -14.148 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.255 1.310 -15.098 1.00 0.00 C ATOM 1173 CD GLU A 110 -11.567 1.952 -15.506 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -11.557 2.777 -16.444 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -12.603 1.630 -14.889 1.00 0.00 O ATOM 0 H GLU A 110 -8.156 3.169 -12.259 1.00 0.00 H new ATOM 0 HA GLU A 110 -10.906 2.383 -12.580 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.548 3.222 -14.452 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.395 1.920 -14.236 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.662 1.106 -15.989 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.457 0.350 -14.623 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.594 0.141 -11.902 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.382 -1.237 -11.472 1.00 0.00 C ATOM 1184 C PHE A 111 -8.644 -1.385 -9.976 1.00 0.00 C ATOM 1185 O PHE A 111 -8.217 -2.357 -9.354 1.00 0.00 O ATOM 1186 CB PHE A 111 -6.955 -1.682 -11.798 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.610 -1.571 -13.256 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.274 -2.339 -14.198 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.624 -0.697 -13.683 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -6.959 -2.240 -15.540 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.304 -0.593 -15.024 1.00 0.00 C ATOM 1192 CZ PHE A 111 -5.973 -1.365 -15.954 1.00 0.00 C ATOM 0 H PHE A 111 -7.751 0.716 -11.907 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.085 -1.872 -12.011 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.254 -1.079 -11.220 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -6.824 -2.716 -11.480 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.047 -3.023 -13.880 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.099 -0.090 -12.960 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.483 -2.846 -16.264 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.532 0.091 -15.344 1.00 0.00 H new ATOM 0 HZ PHE A 111 -5.726 -1.285 -17.002 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.349 -0.414 -9.406 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.670 -0.436 -7.984 1.00 0.00 C ATOM 1204 C ALA A 112 -10.691 -1.524 -7.669 1.00 0.00 C ATOM 1205 O ALA A 112 -11.592 -1.811 -8.458 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.188 0.923 -7.538 1.00 0.00 C ATOM 0 H ALA A 112 -9.709 0.398 -9.907 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.756 -0.662 -7.434 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.424 0.891 -6.474 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.425 1.680 -7.718 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.087 1.172 -8.101 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.550 -2.145 -6.489 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.452 -3.211 -6.043 1.00 0.00 C ATOM 1214 C PRO A 113 -12.847 -2.690 -5.713 1.00 0.00 C ATOM 1215 O PRO A 113 -13.030 -1.502 -5.448 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.770 -3.749 -4.782 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.952 -2.610 -4.279 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.500 -1.855 -5.498 1.00 0.00 C ATOM 0 HA PRO A 113 -11.605 -3.964 -6.816 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.503 -4.068 -4.041 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.147 -4.615 -5.007 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.538 -1.970 -3.619 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.099 -2.967 -3.702 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.418 -0.786 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.521 -2.192 -5.839 1.00 0.00 H new ATOM 1226 N SER A 114 -13.828 -3.587 -5.729 1.00 0.00 N ATOM 1227 CA SER A 114 -15.207 -3.217 -5.435 1.00 0.00 C ATOM 1228 C SER A 114 -15.507 -3.376 -3.947 1.00 0.00 C ATOM 1229 O SER A 114 -14.787 -4.070 -3.229 1.00 0.00 O ATOM 1230 CB SER A 114 -16.174 -4.073 -6.256 1.00 0.00 C ATOM 1231 OG SER A 114 -16.415 -3.493 -7.526 1.00 0.00 O ATOM 0 H SER A 114 -13.693 -4.575 -5.943 1.00 0.00 H new ATOM 0 HA SER A 114 -15.341 -2.170 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.761 -5.074 -6.382 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.116 -4.182 -5.718 1.00 0.00 H new ATOM 0 HG SER A 114 -17.034 -4.059 -8.032 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.574 -2.728 -3.493 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.970 -2.798 -2.091 1.00 0.00 C ATOM 1239 C ASP A 115 -17.145 -4.247 -1.647 1.00 0.00 C ATOM 1240 O ASP A 115 -16.387 -4.746 -0.816 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.270 -2.023 -1.868 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.176 -0.586 -2.341 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.790 -0.370 -3.509 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -18.487 0.324 -1.544 1.00 0.00 O ATOM 0 H ASP A 115 -17.180 -2.149 -4.074 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.179 -2.347 -1.492 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -19.083 -2.523 -2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.521 -2.038 -0.807 1.00 0.00 H new ATOM 1249 N GLU A 116 -18.149 -4.915 -2.206 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.423 -6.306 -1.865 1.00 0.00 C ATOM 1251 C GLU A 116 -17.166 -7.159 -2.006 1.00 0.00 C ATOM 1252 O GLU A 116 -16.827 -7.935 -1.114 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.534 -6.864 -2.758 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.916 -6.335 -2.412 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.340 -6.691 -1.000 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -20.886 -6.013 -0.055 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -22.127 -7.648 -0.841 1.00 0.00 O ATOM 0 H GLU A 116 -18.785 -4.516 -2.896 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.750 -6.341 -0.826 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.310 -6.621 -3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.540 -7.951 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.926 -5.251 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -21.642 -6.738 -3.118 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.479 -7.008 -3.134 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.260 -7.765 -3.393 1.00 0.00 C ATOM 1266 C GLU A 117 -14.235 -7.542 -2.284 1.00 0.00 C ATOM 1267 O GLU A 117 -13.594 -8.485 -1.817 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.661 -7.365 -4.743 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.599 -7.596 -5.917 1.00 0.00 C ATOM 1270 CD GLU A 117 -14.900 -7.464 -7.256 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -14.417 -6.355 -7.566 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -14.836 -8.470 -7.993 1.00 0.00 O ATOM 0 H GLU A 117 -16.746 -6.369 -3.883 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.519 -8.823 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.385 -6.311 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.743 -7.930 -4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.038 -8.591 -5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.420 -6.881 -5.868 1.00 0.00 H new ATOM 1279 N LEU A 118 -14.087 -6.290 -1.867 1.00 0.00 N ATOM 1280 CA LEU A 118 -13.140 -5.942 -0.813 1.00 0.00 C ATOM 1281 C LEU A 118 -13.396 -6.767 0.444 1.00 0.00 C ATOM 1282 O LEU A 118 -12.485 -7.394 0.983 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.236 -4.450 -0.487 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.502 -3.506 -1.439 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -12.932 -2.067 -1.201 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.996 -3.649 -1.276 1.00 0.00 C ATOM 0 H LEU A 118 -14.610 -5.499 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.136 -6.165 -1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.289 -4.169 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.848 -4.293 0.519 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.764 -3.777 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.399 -1.410 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.005 -1.975 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.701 -1.783 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.490 -2.969 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.716 -3.405 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.702 -4.675 -1.498 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.643 -6.762 0.904 1.00 0.00 N ATOM 1299 CA ASP A 119 -15.020 -7.513 2.095 1.00 0.00 C ATOM 1300 C ASP A 119 -14.605 -8.976 1.970 1.00 0.00 C ATOM 1301 O ASP A 119 -14.000 -9.539 2.882 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.529 -7.416 2.328 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.917 -7.746 3.756 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -16.256 -8.613 4.365 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.881 -7.137 4.265 1.00 0.00 O ATOM 0 H ASP A 119 -15.409 -6.246 0.470 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.499 -7.079 2.948 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.867 -6.408 2.086 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -17.043 -8.096 1.649 1.00 0.00 H new ATOM 1310 N SER A 120 -14.936 -9.585 0.836 1.00 0.00 N ATOM 1311 CA SER A 120 -14.602 -10.984 0.594 1.00 0.00 C ATOM 1312 C SER A 120 -13.093 -11.167 0.461 1.00 0.00 C ATOM 1313 O SER A 120 -12.543 -12.190 0.868 1.00 0.00 O ATOM 1314 CB SER A 120 -15.301 -11.485 -0.671 1.00 0.00 C ATOM 1315 OG SER A 120 -16.695 -11.629 -0.460 1.00 0.00 O ATOM 0 H SER A 120 -15.435 -9.132 0.070 1.00 0.00 H new ATOM 0 HA SER A 120 -14.948 -11.568 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 120 -15.124 -10.787 -1.489 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.875 -12.442 -0.971 1.00 0.00 H new ATOM 0 HG SER A 120 -17.119 -11.949 -1.284 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.431 -10.168 -0.111 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.986 -10.218 -0.301 1.00 0.00 C ATOM 1323 C TYR A 121 -10.270 -10.451 1.027 1.00 0.00 C ATOM 1324 O TYR A 121 -9.360 -11.275 1.117 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.489 -8.920 -0.940 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.453 -8.965 -2.451 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.627 -9.860 -3.120 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.244 -8.112 -3.210 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.590 -9.904 -4.500 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.215 -8.149 -4.590 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.387 -9.047 -5.231 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.354 -9.087 -6.606 1.00 0.00 O ATOM 0 H TYR A 121 -12.872 -9.313 -0.451 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.761 -11.052 -0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -11.133 -8.099 -0.624 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.488 -8.701 -0.567 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -9.003 -10.533 -2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.893 -7.407 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -8.941 -10.605 -5.004 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.837 -7.479 -5.164 1.00 0.00 H new ATOM 0 HH TYR A 121 -10.975 -8.420 -6.968 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.690 -9.719 2.054 1.00 0.00 N ATOM 1343 CA ARG A 122 -10.090 -9.845 3.377 1.00 0.00 C ATOM 1344 C ARG A 122 -10.482 -11.168 4.028 1.00 0.00 C ATOM 1345 O ARG A 122 -9.647 -11.849 4.624 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.520 -8.678 4.268 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.695 -7.418 4.060 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.306 -6.522 2.994 1.00 0.00 C ATOM 1349 NE ARG A 122 -11.485 -5.813 3.484 1.00 0.00 N ATOM 1350 CZ ARG A 122 -11.426 -4.705 4.214 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -10.251 -4.182 4.537 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -12.544 -4.118 4.623 1.00 0.00 N ATOM 0 H ARG A 122 -11.443 -9.033 1.995 1.00 0.00 H new ATOM 0 HA ARG A 122 -9.006 -9.825 3.261 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.569 -8.452 4.075 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.446 -8.982 5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -9.622 -6.870 4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -8.680 -7.690 3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -9.562 -5.799 2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -10.579 -7.124 2.128 1.00 0.00 H new ATOM 0 HE ARG A 122 -12.404 -6.189 3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -9.390 -4.631 4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -10.208 -3.331 5.098 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -13.449 -4.518 4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -12.498 -3.267 5.184 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.757 -11.524 3.911 1.00 0.00 N ATOM 1367 CA ARG A 123 -12.260 -12.764 4.490 1.00 0.00 C ATOM 1368 C ARG A 123 -11.511 -13.969 3.928 1.00 0.00 C ATOM 1369 O ARG A 123 -11.401 -15.005 4.583 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.758 -12.908 4.218 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.615 -11.913 4.984 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.892 -12.391 6.400 1.00 0.00 C ATOM 1373 NE ARG A 123 -15.741 -11.459 7.136 1.00 0.00 N ATOM 1374 CZ ARG A 123 -16.343 -11.760 8.282 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -16.189 -12.962 8.819 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -17.100 -10.857 8.892 1.00 0.00 N ATOM 0 H ARG A 123 -12.460 -10.972 3.421 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.096 -12.726 5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.938 -12.783 3.150 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -14.070 -13.919 4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -14.111 -10.947 5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -15.558 -11.763 4.458 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -15.372 -13.369 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.948 -12.518 6.931 1.00 0.00 H new ATOM 0 HE ARG A 123 -15.880 -10.525 6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.607 -13.658 8.353 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.652 -13.191 9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -17.220 -9.931 8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.562 -11.089 9.771 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.999 -13.826 2.709 1.00 0.00 N ATOM 1391 CA GLY A 124 -10.269 -14.910 2.079 1.00 0.00 C ATOM 1392 C GLY A 124 -11.188 -15.956 1.478 1.00 0.00 C ATOM 1393 O GLY A 124 -10.949 -17.155 1.616 1.00 0.00 O ATOM 0 H GLY A 124 -11.077 -12.978 2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.625 -14.505 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.619 -15.382 2.815 1.00 0.00 H new ATOM 1397 N SER A 125 -12.242 -15.500 0.809 1.00 0.00 N ATOM 1398 CA SER A 125 -13.203 -16.404 0.189 1.00 0.00 C ATOM 1399 C SER A 125 -12.655 -16.965 -1.120 1.00 0.00 C ATOM 1400 O SER A 125 -11.927 -16.286 -1.842 1.00 0.00 O ATOM 1401 CB SER A 125 -14.526 -15.680 -0.068 1.00 0.00 C ATOM 1402 OG SER A 125 -15.548 -16.594 -0.422 1.00 0.00 O ATOM 0 H SER A 125 -12.452 -14.510 0.683 1.00 0.00 H new ATOM 0 HA SER A 125 -13.378 -17.233 0.875 1.00 0.00 H new ATOM 0 HB2 SER A 125 -14.821 -15.128 0.824 1.00 0.00 H new ATOM 0 HB3 SER A 125 -14.395 -14.949 -0.866 1.00 0.00 H new ATOM 0 HG SER A 125 -16.383 -16.106 -0.579 1.00 0.00 H new ATOM 1408 N GLY A 126 -13.012 -18.210 -1.419 1.00 0.00 N ATOM 1409 CA GLY A 126 -12.547 -18.842 -2.640 1.00 0.00 C ATOM 1410 C GLY A 126 -13.476 -18.593 -3.811 1.00 0.00 C ATOM 1411 O GLY A 126 -14.392 -17.773 -3.741 1.00 0.00 O ATOM 0 H GLY A 126 -13.615 -18.792 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -11.552 -18.468 -2.883 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -12.453 -19.916 -2.477 1.00 0.00 H new ATOM 1415 N PRO A 127 -13.243 -19.311 -4.920 1.00 0.00 N ATOM 1416 CA PRO A 127 -14.055 -19.180 -6.133 1.00 0.00 C ATOM 1417 C PRO A 127 -15.463 -19.736 -5.952 1.00 0.00 C ATOM 1418 O PRO A 127 -15.666 -20.950 -5.952 1.00 0.00 O ATOM 1419 CB PRO A 127 -13.284 -20.004 -7.167 1.00 0.00 C ATOM 1420 CG PRO A 127 -12.517 -20.997 -6.364 1.00 0.00 C ATOM 1421 CD PRO A 127 -12.169 -20.306 -5.074 1.00 0.00 C ATOM 0 HA PRO A 127 -14.196 -18.137 -6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -13.961 -20.497 -7.865 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.619 -19.375 -7.759 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -13.111 -21.892 -6.179 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -11.618 -21.315 -6.892 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -12.145 -21.005 -4.238 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -11.188 -19.834 -5.123 1.00 0.00 H new ATOM 1429 N SER A 128 -16.433 -18.840 -5.798 1.00 0.00 N ATOM 1430 CA SER A 128 -17.822 -19.242 -5.612 1.00 0.00 C ATOM 1431 C SER A 128 -18.744 -18.451 -6.535 1.00 0.00 C ATOM 1432 O SER A 128 -18.405 -17.354 -6.978 1.00 0.00 O ATOM 1433 CB SER A 128 -18.243 -19.038 -4.155 1.00 0.00 C ATOM 1434 OG SER A 128 -18.204 -17.667 -3.799 1.00 0.00 O ATOM 0 H SER A 128 -16.282 -17.831 -5.798 1.00 0.00 H new ATOM 0 HA SER A 128 -17.906 -20.300 -5.862 1.00 0.00 H new ATOM 0 HB2 SER A 128 -19.250 -19.427 -4.007 1.00 0.00 H new ATOM 0 HB3 SER A 128 -17.583 -19.606 -3.500 1.00 0.00 H new ATOM 0 HG SER A 128 -18.479 -17.564 -2.864 1.00 0.00 H new ATOM 1440 N SER A 129 -19.913 -19.017 -6.819 1.00 0.00 N ATOM 1441 CA SER A 129 -20.884 -18.368 -7.692 1.00 0.00 C ATOM 1442 C SER A 129 -22.000 -17.721 -6.878 1.00 0.00 C ATOM 1443 O SER A 129 -22.591 -18.352 -6.003 1.00 0.00 O ATOM 1444 CB SER A 129 -21.475 -19.380 -8.675 1.00 0.00 C ATOM 1445 OG SER A 129 -22.232 -20.368 -7.996 1.00 0.00 O ATOM 0 H SER A 129 -20.210 -19.923 -6.457 1.00 0.00 H new ATOM 0 HA SER A 129 -20.367 -17.588 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 129 -22.109 -18.864 -9.396 1.00 0.00 H new ATOM 0 HB3 SER A 129 -20.672 -19.856 -9.239 1.00 0.00 H new ATOM 0 HG SER A 129 -22.659 -19.970 -7.209 1.00 0.00 H new ATOM 1451 N GLY A 130 -22.283 -16.456 -7.173 1.00 0.00 N ATOM 1452 CA GLY A 130 -23.327 -15.743 -6.460 1.00 0.00 C ATOM 1453 C GLY A 130 -24.717 -16.161 -6.897 1.00 0.00 C ATOM 1454 O GLY A 130 -25.713 -15.744 -6.305 1.00 0.00 O ATOM 0 H GLY A 130 -21.808 -15.912 -7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -23.218 -15.919 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -23.206 -14.672 -6.620 1.00 0.00 H new TER 1458 GLY A 130