USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 HIS : no HD1:sc= -8.37! C(o=-9.1!,f=-12!) USER MOD Set 1.2: A 94 SER OG : rot 140:sc= -0.759 USER MOD Single : A 45 LYS NZ :NH3+ 138:sc= -6.44! (180deg=-8.7!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 142:sc= -1.8 (180deg=-3.64!) 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 K(o=0,f=-0.72) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.0219 (180deg=-0.234) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.64 K(o=-1.6,f=-5.5!) USER MOD Single : A 73 MET CE :methyl -171:sc= -0.668 (180deg=-1.19) USER MOD Single : A 74 ASN : amide:sc= -3.13! K(o=-3.1!,f=-1.1) 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 119:sc= 0.148 USER MOD Single : A 92 SER OG : rot 180:sc= 0 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 -162:sc= 0 (180deg=-0.228) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 ----------------------------------------------------------------- ATOM 83 N LYS A 45 10.806 8.549 9.959 1.00 0.00 N ATOM 84 CA LYS A 45 9.670 8.266 9.091 1.00 0.00 C ATOM 85 C LYS A 45 9.712 9.135 7.838 1.00 0.00 C ATOM 86 O LYS A 45 9.475 8.655 6.729 1.00 0.00 O ATOM 87 CB LYS A 45 8.357 8.499 9.842 1.00 0.00 C ATOM 88 CG LYS A 45 8.099 7.487 10.945 1.00 0.00 C ATOM 89 CD LYS A 45 7.303 8.096 12.087 1.00 0.00 C ATOM 90 CE LYS A 45 5.811 8.090 11.791 1.00 0.00 C ATOM 91 NZ LYS A 45 5.326 6.733 11.415 1.00 0.00 N ATOM 0 HA LYS A 45 9.728 7.220 8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.368 9.500 10.274 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.531 8.468 9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.557 6.634 10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.049 7.110 11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.495 7.539 13.004 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.637 9.119 12.260 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.265 8.441 12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.598 8.789 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.414 6.550 11.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.206 6.681 10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.019 6.020 11.720 1.00 0.00 H new ATOM 105 N VAL A 46 10.016 10.416 8.022 1.00 0.00 N ATOM 106 CA VAL A 46 10.092 11.351 6.906 1.00 0.00 C ATOM 107 C VAL A 46 10.773 10.714 5.700 1.00 0.00 C ATOM 108 O VAL A 46 10.150 10.511 4.659 1.00 0.00 O ATOM 109 CB VAL A 46 10.855 12.631 7.297 1.00 0.00 C ATOM 110 CG1 VAL A 46 10.983 13.563 6.102 1.00 0.00 C ATOM 111 CG2 VAL A 46 10.163 13.330 8.457 1.00 0.00 C ATOM 0 H VAL A 46 10.214 10.830 8.933 1.00 0.00 H new ATOM 0 HA VAL A 46 9.067 11.614 6.643 1.00 0.00 H new ATOM 0 HB VAL A 46 11.858 12.351 7.618 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.525 14.461 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.526 13.058 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.990 13.838 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.715 14.232 8.720 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.147 13.598 8.166 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.130 12.661 9.317 1.00 0.00 H new ATOM 121 N GLU A 47 12.056 10.401 5.850 1.00 0.00 N ATOM 122 CA GLU A 47 12.823 9.787 4.772 1.00 0.00 C ATOM 123 C GLU A 47 11.996 8.724 4.054 1.00 0.00 C ATOM 124 O GLU A 47 11.895 8.724 2.827 1.00 0.00 O ATOM 125 CB GLU A 47 14.109 9.165 5.320 1.00 0.00 C ATOM 126 CG GLU A 47 15.065 10.179 5.925 1.00 0.00 C ATOM 127 CD GLU A 47 16.188 9.526 6.708 1.00 0.00 C ATOM 128 OE1 GLU A 47 16.551 8.377 6.380 1.00 0.00 O ATOM 129 OE2 GLU A 47 16.705 10.166 7.648 1.00 0.00 O ATOM 0 H GLU A 47 12.586 10.562 6.706 1.00 0.00 H new ATOM 0 HA GLU A 47 13.083 10.566 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.851 8.425 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.617 8.634 4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.490 10.792 5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.510 10.849 6.582 1.00 0.00 H new ATOM 136 N PHE A 48 11.407 7.818 4.828 1.00 0.00 N ATOM 137 CA PHE A 48 10.591 6.748 4.267 1.00 0.00 C ATOM 138 C PHE A 48 9.441 7.317 3.441 1.00 0.00 C ATOM 139 O PHE A 48 9.148 6.830 2.349 1.00 0.00 O ATOM 140 CB PHE A 48 10.040 5.860 5.384 1.00 0.00 C ATOM 141 CG PHE A 48 9.162 4.747 4.887 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.711 3.644 4.253 1.00 0.00 C ATOM 143 CD2 PHE A 48 7.787 4.804 5.054 1.00 0.00 C ATOM 144 CE1 PHE A 48 8.905 2.619 3.794 1.00 0.00 C ATOM 145 CE2 PHE A 48 6.977 3.782 4.597 1.00 0.00 C ATOM 146 CZ PHE A 48 7.537 2.687 3.968 1.00 0.00 C ATOM 0 H PHE A 48 11.480 7.804 5.845 1.00 0.00 H new ATOM 0 HA PHE A 48 11.223 6.148 3.613 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.873 5.433 5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.472 6.477 6.081 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.781 3.584 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.344 5.657 5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.345 1.766 3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.907 3.839 4.731 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.906 1.886 3.613 1.00 0.00 H new ATOM 156 N ARG A 49 8.795 8.350 3.970 1.00 0.00 N ATOM 157 CA ARG A 49 7.676 8.985 3.283 1.00 0.00 C ATOM 158 C ARG A 49 8.060 9.365 1.856 1.00 0.00 C ATOM 159 O ARG A 49 7.358 9.030 0.902 1.00 0.00 O ATOM 160 CB ARG A 49 7.219 10.228 4.048 1.00 0.00 C ATOM 161 CG ARG A 49 5.757 10.577 3.826 1.00 0.00 C ATOM 162 CD ARG A 49 5.156 11.263 5.042 1.00 0.00 C ATOM 163 NE ARG A 49 4.011 12.099 4.690 1.00 0.00 N ATOM 164 CZ ARG A 49 3.386 12.891 5.554 1.00 0.00 C ATOM 165 NH1 ARG A 49 3.794 12.956 6.814 1.00 0.00 N ATOM 166 NH2 ARG A 49 2.351 13.621 5.157 1.00 0.00 N ATOM 0 H ARG A 49 9.027 8.766 4.872 1.00 0.00 H new ATOM 0 HA ARG A 49 6.854 8.270 3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.388 10.071 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.836 11.076 3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.666 11.229 2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.195 9.670 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.846 10.510 5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.917 11.876 5.525 1.00 0.00 H new ATOM 0 HE ARG A 49 3.673 12.073 3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.590 12.397 7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.312 13.565 7.475 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.035 13.574 4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.871 14.229 5.821 1.00 0.00 H new ATOM 180 N LYS A 50 9.179 10.068 1.717 1.00 0.00 N ATOM 181 CA LYS A 50 9.658 10.494 0.408 1.00 0.00 C ATOM 182 C LYS A 50 9.851 9.297 -0.517 1.00 0.00 C ATOM 183 O LYS A 50 9.377 9.296 -1.654 1.00 0.00 O ATOM 184 CB LYS A 50 10.975 11.261 0.548 1.00 0.00 C ATOM 185 CG LYS A 50 10.848 12.548 1.346 1.00 0.00 C ATOM 186 CD LYS A 50 12.171 13.290 1.422 1.00 0.00 C ATOM 187 CE LYS A 50 13.119 12.638 2.417 1.00 0.00 C ATOM 188 NZ LYS A 50 14.528 13.074 2.209 1.00 0.00 N ATOM 0 H LYS A 50 9.772 10.355 2.496 1.00 0.00 H new ATOM 0 HA LYS A 50 8.907 11.151 -0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.712 10.617 1.028 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.356 11.496 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.096 13.189 0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.500 12.320 2.353 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.635 13.311 0.436 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.993 14.325 1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.808 12.887 3.432 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.056 11.554 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.142 12.608 2.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.834 12.814 1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.593 14.105 2.325 1.00 0.00 H new ATOM 202 N ARG A 51 10.547 8.279 -0.023 1.00 0.00 N ATOM 203 CA ARG A 51 10.802 7.076 -0.805 1.00 0.00 C ATOM 204 C ARG A 51 9.514 6.554 -1.434 1.00 0.00 C ATOM 205 O ARG A 51 9.479 6.229 -2.621 1.00 0.00 O ATOM 206 CB ARG A 51 11.428 5.992 0.075 1.00 0.00 C ATOM 207 CG ARG A 51 12.149 4.910 -0.711 1.00 0.00 C ATOM 208 CD ARG A 51 12.565 3.754 0.185 1.00 0.00 C ATOM 209 NE ARG A 51 13.909 3.937 0.727 1.00 0.00 N ATOM 210 CZ ARG A 51 14.342 3.344 1.833 1.00 0.00 C ATOM 211 NH1 ARG A 51 13.543 2.532 2.511 1.00 0.00 N ATOM 212 NH2 ARG A 51 15.579 3.561 2.263 1.00 0.00 N ATOM 0 H ARG A 51 10.945 8.263 0.916 1.00 0.00 H new ATOM 0 HA ARG A 51 11.498 7.333 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.132 6.458 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.647 5.531 0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.499 4.541 -1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.030 5.334 -1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.854 3.657 1.005 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.526 2.824 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 51 14.550 4.554 0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.592 2.361 2.183 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.879 2.078 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.198 4.184 1.744 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.911 3.105 3.113 1.00 0.00 H new ATOM 226 N MET A 52 8.458 6.476 -0.631 1.00 0.00 N ATOM 227 CA MET A 52 7.168 5.994 -1.110 1.00 0.00 C ATOM 228 C MET A 52 6.637 6.883 -2.229 1.00 0.00 C ATOM 229 O MET A 52 6.101 6.391 -3.222 1.00 0.00 O ATOM 230 CB MET A 52 6.160 5.944 0.040 1.00 0.00 C ATOM 231 CG MET A 52 6.632 5.121 1.228 1.00 0.00 C ATOM 232 SD MET A 52 6.790 3.368 0.838 1.00 0.00 S ATOM 233 CE MET A 52 8.443 3.322 0.149 1.00 0.00 C ATOM 0 H MET A 52 8.470 6.740 0.354 1.00 0.00 H new ATOM 0 HA MET A 52 7.308 4.988 -1.505 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.951 6.961 0.373 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.221 5.530 -0.328 1.00 0.00 H new ATOM 0 HG2 MET A 52 7.595 5.502 1.569 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.930 5.244 2.053 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.945 2.408 0.467 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.384 3.344 -0.939 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.007 4.186 0.499 1.00 0.00 H new ATOM 243 N GLU A 53 6.789 8.193 -2.062 1.00 0.00 N ATOM 244 CA GLU A 53 6.323 9.149 -3.059 1.00 0.00 C ATOM 245 C GLU A 53 6.893 8.821 -4.436 1.00 0.00 C ATOM 246 O GLU A 53 6.167 8.787 -5.430 1.00 0.00 O ATOM 247 CB GLU A 53 6.718 10.572 -2.657 1.00 0.00 C ATOM 248 CG GLU A 53 6.053 11.049 -1.377 1.00 0.00 C ATOM 249 CD GLU A 53 6.509 12.435 -0.965 1.00 0.00 C ATOM 250 OE1 GLU A 53 6.469 13.351 -1.814 1.00 0.00 O ATOM 251 OE2 GLU A 53 6.907 12.605 0.207 1.00 0.00 O ATOM 0 H GLU A 53 7.231 8.616 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 53 5.236 9.082 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.800 10.619 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.460 11.254 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.972 11.052 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.272 10.345 -0.574 1.00 0.00 H new ATOM 258 N LYS A 54 8.199 8.580 -4.487 1.00 0.00 N ATOM 259 CA LYS A 54 8.869 8.253 -5.740 1.00 0.00 C ATOM 260 C LYS A 54 8.372 6.921 -6.291 1.00 0.00 C ATOM 261 O LYS A 54 8.078 6.802 -7.480 1.00 0.00 O ATOM 262 CB LYS A 54 10.384 8.199 -5.533 1.00 0.00 C ATOM 263 CG LYS A 54 11.176 8.199 -6.829 1.00 0.00 C ATOM 264 CD LYS A 54 11.267 9.593 -7.427 1.00 0.00 C ATOM 265 CE LYS A 54 12.457 9.720 -8.366 1.00 0.00 C ATOM 266 NZ LYS A 54 12.218 9.025 -9.661 1.00 0.00 N ATOM 0 H LYS A 54 8.815 8.605 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 54 8.635 9.035 -6.463 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.690 9.054 -4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.633 7.303 -4.965 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.179 7.816 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.705 7.525 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.349 9.818 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.353 10.328 -6.627 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.662 10.774 -8.552 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.343 9.303 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.052 9.135 -10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.047 8.014 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.388 9.440 -10.130 1.00 0.00 H new ATOM 280 N GLU A 55 8.280 5.922 -5.419 1.00 0.00 N ATOM 281 CA GLU A 55 7.818 4.598 -5.821 1.00 0.00 C ATOM 282 C GLU A 55 6.399 4.663 -6.378 1.00 0.00 C ATOM 283 O GLU A 55 6.163 4.344 -7.543 1.00 0.00 O ATOM 284 CB GLU A 55 7.868 3.634 -4.633 1.00 0.00 C ATOM 285 CG GLU A 55 9.268 3.412 -4.088 1.00 0.00 C ATOM 286 CD GLU A 55 9.446 2.033 -3.481 1.00 0.00 C ATOM 287 OE1 GLU A 55 8.933 1.057 -4.068 1.00 0.00 O ATOM 288 OE2 GLU A 55 10.097 1.930 -2.421 1.00 0.00 O ATOM 0 H GLU A 55 8.519 6.004 -4.431 1.00 0.00 H new ATOM 0 HA GLU A 55 8.481 4.232 -6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.234 4.021 -3.835 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.449 2.675 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.992 3.548 -4.891 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.484 4.168 -3.333 1.00 0.00 H new ATOM 295 N VAL A 56 5.458 5.079 -5.537 1.00 0.00 N ATOM 296 CA VAL A 56 4.062 5.187 -5.945 1.00 0.00 C ATOM 297 C VAL A 56 3.937 5.872 -7.301 1.00 0.00 C ATOM 298 O VAL A 56 3.367 5.315 -8.239 1.00 0.00 O ATOM 299 CB VAL A 56 3.234 5.970 -4.909 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.824 6.213 -5.425 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.204 5.228 -3.581 1.00 0.00 C ATOM 0 H VAL A 56 5.637 5.347 -4.569 1.00 0.00 H new ATOM 0 HA VAL A 56 3.674 4.171 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 56 3.708 6.938 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.254 6.767 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.869 6.789 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.337 5.257 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.615 5.795 -2.860 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.755 4.245 -3.723 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.221 5.111 -3.206 1.00 0.00 H new ATOM 311 N SER A 57 4.474 7.084 -7.398 1.00 0.00 N ATOM 312 CA SER A 57 4.420 7.847 -8.639 1.00 0.00 C ATOM 313 C SER A 57 4.778 6.968 -9.834 1.00 0.00 C ATOM 314 O SER A 57 4.029 6.888 -10.807 1.00 0.00 O ATOM 315 CB SER A 57 5.371 9.044 -8.569 1.00 0.00 C ATOM 316 OG SER A 57 5.038 10.018 -9.542 1.00 0.00 O ATOM 0 H SER A 57 4.951 7.559 -6.632 1.00 0.00 H new ATOM 0 HA SER A 57 3.400 8.209 -8.769 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.328 9.489 -7.575 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.396 8.707 -8.723 1.00 0.00 H new ATOM 0 HG SER A 57 5.659 10.773 -9.475 1.00 0.00 H new ATOM 322 N ASP A 58 5.929 6.310 -9.752 1.00 0.00 N ATOM 323 CA ASP A 58 6.388 5.435 -10.824 1.00 0.00 C ATOM 324 C ASP A 58 5.289 4.462 -11.240 1.00 0.00 C ATOM 325 O ASP A 58 5.043 4.258 -12.429 1.00 0.00 O ATOM 326 CB ASP A 58 7.631 4.661 -10.383 1.00 0.00 C ATOM 327 CG ASP A 58 8.043 3.605 -11.391 1.00 0.00 C ATOM 328 OD1 ASP A 58 7.966 3.882 -12.606 1.00 0.00 O ATOM 329 OD2 ASP A 58 8.443 2.502 -10.963 1.00 0.00 O ATOM 0 H ASP A 58 6.562 6.366 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 58 6.642 6.057 -11.683 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.456 5.358 -10.234 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.437 4.186 -9.421 1.00 0.00 H new ATOM 334 N PHE A 59 4.631 3.864 -10.253 1.00 0.00 N ATOM 335 CA PHE A 59 3.559 2.911 -10.516 1.00 0.00 C ATOM 336 C PHE A 59 2.399 3.584 -11.244 1.00 0.00 C ATOM 337 O PHE A 59 1.787 2.996 -12.136 1.00 0.00 O ATOM 338 CB PHE A 59 3.064 2.294 -9.206 1.00 0.00 C ATOM 339 CG PHE A 59 1.698 1.678 -9.312 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.561 2.468 -9.257 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.551 0.309 -9.466 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.697 1.904 -9.355 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.295 -0.261 -9.565 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.830 0.538 -9.508 1.00 0.00 C ATOM 0 H PHE A 59 4.821 4.022 -9.263 1.00 0.00 H new ATOM 0 HA PHE A 59 3.957 2.122 -11.154 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.773 1.532 -8.882 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.048 3.064 -8.434 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.659 3.537 -9.136 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.428 -0.320 -9.509 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.575 2.531 -9.312 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.194 -1.329 -9.687 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.812 0.095 -9.583 1.00 0.00 H new ATOM 354 N ILE A 60 2.102 4.820 -10.856 1.00 0.00 N ATOM 355 CA ILE A 60 1.017 5.574 -11.471 1.00 0.00 C ATOM 356 C ILE A 60 1.206 5.677 -12.981 1.00 0.00 C ATOM 357 O ILE A 60 0.311 5.334 -13.753 1.00 0.00 O ATOM 358 CB ILE A 60 0.910 6.992 -10.880 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.408 6.930 -9.436 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.012 7.852 -11.731 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.582 8.228 -8.680 1.00 0.00 C ATOM 0 H ILE A 60 2.598 5.320 -10.118 1.00 0.00 H new ATOM 0 HA ILE A 60 0.096 5.031 -11.259 1.00 0.00 H new ATOM 0 HB ILE A 60 1.901 7.446 -10.881 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.648 6.659 -9.438 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.939 6.138 -8.909 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.078 8.851 -11.301 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.385 7.919 -12.744 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.005 7.403 -11.759 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.205 8.111 -7.664 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.639 8.491 -8.646 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.028 9.020 -9.184 1.00 0.00 H new ATOM 373 N GLN A 61 2.378 6.150 -13.394 1.00 0.00 N ATOM 374 CA GLN A 61 2.685 6.296 -14.811 1.00 0.00 C ATOM 375 C GLN A 61 2.594 4.954 -15.530 1.00 0.00 C ATOM 376 O GLN A 61 2.068 4.868 -16.640 1.00 0.00 O ATOM 377 CB GLN A 61 4.082 6.892 -14.993 1.00 0.00 C ATOM 378 CG GLN A 61 4.210 8.314 -14.471 1.00 0.00 C ATOM 379 CD GLN A 61 5.606 8.878 -14.650 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.362 8.433 -15.514 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.956 9.863 -13.831 1.00 0.00 N ATOM 0 H GLN A 61 3.129 6.438 -12.767 1.00 0.00 H new ATOM 0 HA GLN A 61 1.950 6.971 -15.248 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.807 6.259 -14.481 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.339 6.878 -16.052 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.495 8.953 -14.989 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.947 8.334 -13.413 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.297 10.201 -13.129 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.883 10.282 -13.904 1.00 0.00 H new ATOM 390 N ASP A 62 3.110 3.911 -14.891 1.00 0.00 N ATOM 391 CA ASP A 62 3.087 2.572 -15.469 1.00 0.00 C ATOM 392 C ASP A 62 1.653 2.111 -15.713 1.00 0.00 C ATOM 393 O ASP A 62 0.879 1.934 -14.773 1.00 0.00 O ATOM 394 CB ASP A 62 3.804 1.583 -14.549 1.00 0.00 C ATOM 395 CG ASP A 62 5.313 1.692 -14.646 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.824 1.867 -15.772 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.983 1.603 -13.596 1.00 0.00 O ATOM 0 H ASP A 62 3.550 3.966 -13.972 1.00 0.00 H new ATOM 0 HA ASP A 62 3.607 2.607 -16.426 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.495 1.760 -13.519 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.499 0.568 -14.803 1.00 0.00 H new ATOM 402 N SER A 63 1.307 1.918 -16.982 1.00 0.00 N ATOM 403 CA SER A 63 -0.035 1.482 -17.350 1.00 0.00 C ATOM 404 C SER A 63 -0.247 0.014 -16.991 1.00 0.00 C ATOM 405 O SER A 63 -1.133 -0.323 -16.206 1.00 0.00 O ATOM 406 CB SER A 63 -0.269 1.691 -18.847 1.00 0.00 C ATOM 407 OG SER A 63 -0.670 3.023 -19.120 1.00 0.00 O ATOM 0 H SER A 63 1.937 2.057 -17.772 1.00 0.00 H new ATOM 0 HA SER A 63 -0.752 2.082 -16.790 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.645 1.463 -19.396 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.034 0.998 -19.199 1.00 0.00 H new ATOM 0 HG SER A 63 -0.811 3.131 -20.084 1.00 0.00 H new ATOM 413 N GLY A 64 0.574 -0.855 -17.572 1.00 0.00 N ATOM 414 CA GLY A 64 0.461 -2.277 -17.302 1.00 0.00 C ATOM 415 C GLY A 64 0.202 -2.570 -15.838 1.00 0.00 C ATOM 416 O GLY A 64 -0.558 -3.479 -15.505 1.00 0.00 O ATOM 0 H GLY A 64 1.315 -0.600 -18.225 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.348 -2.694 -17.902 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.379 -2.777 -17.613 1.00 0.00 H new ATOM 420 N GLN A 65 0.836 -1.799 -14.960 1.00 0.00 N ATOM 421 CA GLN A 65 0.672 -1.983 -13.523 1.00 0.00 C ATOM 422 C GLN A 65 -0.687 -1.468 -13.060 1.00 0.00 C ATOM 423 O GLN A 65 -1.025 -0.303 -13.270 1.00 0.00 O ATOM 424 CB GLN A 65 1.788 -1.262 -12.765 1.00 0.00 C ATOM 425 CG GLN A 65 3.184 -1.711 -13.166 1.00 0.00 C ATOM 426 CD GLN A 65 3.683 -2.877 -12.335 1.00 0.00 C ATOM 427 OE1 GLN A 65 3.161 -3.989 -12.428 1.00 0.00 O ATOM 428 NE2 GLN A 65 4.700 -2.630 -11.517 1.00 0.00 N ATOM 0 H GLN A 65 1.468 -1.041 -15.219 1.00 0.00 H new ATOM 0 HA GLN A 65 0.728 -3.051 -13.310 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.697 -0.189 -12.935 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.655 -1.427 -11.696 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.182 -1.994 -14.219 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.875 -0.874 -13.062 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.102 -1.694 -11.472 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.079 -3.377 -10.934 1.00 0.00 H new ATOM 437 N ILE A 66 -1.463 -2.345 -12.431 1.00 0.00 N ATOM 438 CA ILE A 66 -2.785 -1.979 -11.939 1.00 0.00 C ATOM 439 C ILE A 66 -2.865 -2.118 -10.422 1.00 0.00 C ATOM 440 O ILE A 66 -3.617 -1.403 -9.760 1.00 0.00 O ATOM 441 CB ILE A 66 -3.885 -2.844 -12.581 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.684 -4.316 -12.216 1.00 0.00 C ATOM 443 CG2 ILE A 66 -3.887 -2.663 -14.092 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.952 -5.137 -12.295 1.00 0.00 C ATOM 0 H ILE A 66 -1.199 -3.313 -12.250 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.947 -0.937 -12.215 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.852 -2.522 -12.195 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.938 -4.749 -12.883 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.282 -4.380 -11.205 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.670 -3.281 -14.531 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.073 -1.616 -14.333 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.920 -2.962 -14.496 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.734 -6.170 -12.023 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.693 -4.729 -11.607 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.344 -5.104 -13.312 1.00 0.00 H new ATOM 456 N LYS A 67 -2.082 -3.043 -9.877 1.00 0.00 N ATOM 457 CA LYS A 67 -2.060 -3.276 -8.438 1.00 0.00 C ATOM 458 C LYS A 67 -0.747 -3.925 -8.011 1.00 0.00 C ATOM 459 O LYS A 67 -0.182 -4.742 -8.739 1.00 0.00 O ATOM 460 CB LYS A 67 -3.237 -4.163 -8.026 1.00 0.00 C ATOM 461 CG LYS A 67 -3.109 -5.601 -8.498 1.00 0.00 C ATOM 462 CD LYS A 67 -4.296 -6.440 -8.056 1.00 0.00 C ATOM 463 CE LYS A 67 -4.242 -7.839 -8.650 1.00 0.00 C ATOM 464 NZ LYS A 67 -5.071 -8.804 -7.876 1.00 0.00 N ATOM 0 H LYS A 67 -1.454 -3.644 -10.411 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.147 -2.311 -7.938 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.326 -4.153 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.158 -3.739 -8.426 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.031 -5.623 -9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.189 -6.034 -8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.311 -6.506 -6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.222 -5.951 -8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.590 -7.808 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.208 -8.184 -8.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.007 -9.745 -8.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.724 -8.853 -6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.062 -8.489 -7.876 1.00 0.00 H new ATOM 478 N LYS A 68 -0.268 -3.558 -6.828 1.00 0.00 N ATOM 479 CA LYS A 68 0.977 -4.106 -6.302 1.00 0.00 C ATOM 480 C LYS A 68 0.982 -4.079 -4.777 1.00 0.00 C ATOM 481 O LYS A 68 0.410 -3.181 -4.160 1.00 0.00 O ATOM 482 CB LYS A 68 2.173 -3.319 -6.842 1.00 0.00 C ATOM 483 CG LYS A 68 3.505 -3.761 -6.261 1.00 0.00 C ATOM 484 CD LYS A 68 4.520 -2.631 -6.269 1.00 0.00 C ATOM 485 CE LYS A 68 5.880 -3.099 -5.774 1.00 0.00 C ATOM 486 NZ LYS A 68 6.484 -4.108 -6.687 1.00 0.00 N ATOM 0 H LYS A 68 -0.723 -2.883 -6.214 1.00 0.00 H new ATOM 0 HA LYS A 68 1.056 -5.143 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.206 -3.424 -7.926 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.027 -2.260 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.359 -4.112 -5.240 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.892 -4.603 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.616 -2.234 -7.280 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.163 -1.816 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.549 -2.243 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.776 -3.527 -4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.491 -4.227 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.993 -5.018 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.390 -3.786 -7.671 1.00 0.00 H new ATOM 500 N LYS A 69 1.634 -5.068 -4.175 1.00 0.00 N ATOM 501 CA LYS A 69 1.717 -5.156 -2.722 1.00 0.00 C ATOM 502 C LYS A 69 3.155 -4.971 -2.247 1.00 0.00 C ATOM 503 O LYS A 69 4.071 -5.631 -2.737 1.00 0.00 O ATOM 504 CB LYS A 69 1.180 -6.506 -2.241 1.00 0.00 C ATOM 505 CG LYS A 69 2.241 -7.591 -2.167 1.00 0.00 C ATOM 506 CD LYS A 69 1.618 -8.973 -2.061 1.00 0.00 C ATOM 507 CE LYS A 69 2.654 -10.024 -1.693 1.00 0.00 C ATOM 508 NZ LYS A 69 3.284 -10.628 -2.900 1.00 0.00 N ATOM 0 H LYS A 69 2.113 -5.820 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 69 1.107 -4.357 -2.299 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.732 -6.379 -1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.385 -6.832 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.874 -7.543 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.885 -7.414 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.828 -8.961 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.152 -9.237 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.425 -9.571 -1.069 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.182 -10.807 -1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.984 -11.339 -2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.552 -11.082 -3.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.756 -9.885 -3.454 1.00 0.00 H new ATOM 522 N PHE A 70 3.345 -4.069 -1.289 1.00 0.00 N ATOM 523 CA PHE A 70 4.672 -3.797 -0.748 1.00 0.00 C ATOM 524 C PHE A 70 4.970 -4.705 0.442 1.00 0.00 C ATOM 525 O PHE A 70 4.112 -4.928 1.296 1.00 0.00 O ATOM 526 CB PHE A 70 4.783 -2.331 -0.326 1.00 0.00 C ATOM 527 CG PHE A 70 4.782 -1.372 -1.482 1.00 0.00 C ATOM 528 CD1 PHE A 70 3.601 -1.055 -2.134 1.00 0.00 C ATOM 529 CD2 PHE A 70 5.960 -0.789 -1.917 1.00 0.00 C ATOM 530 CE1 PHE A 70 3.597 -0.174 -3.199 1.00 0.00 C ATOM 531 CE2 PHE A 70 5.963 0.094 -2.981 1.00 0.00 C ATOM 532 CZ PHE A 70 4.779 0.402 -3.622 1.00 0.00 C ATOM 0 H PHE A 70 2.597 -3.515 -0.872 1.00 0.00 H new ATOM 0 HA PHE A 70 5.405 -3.999 -1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.953 -2.088 0.337 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.700 -2.195 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.674 -1.501 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.888 -1.027 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.670 0.064 -3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.889 0.542 -3.310 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.777 1.092 -4.453 1.00 0.00 H new ATOM 542 N GLN A 71 6.192 -5.225 0.490 1.00 0.00 N ATOM 543 CA GLN A 71 6.603 -6.110 1.574 1.00 0.00 C ATOM 544 C GLN A 71 6.586 -5.376 2.912 1.00 0.00 C ATOM 545 O GLN A 71 6.979 -4.214 3.015 1.00 0.00 O ATOM 546 CB GLN A 71 8.001 -6.668 1.303 1.00 0.00 C ATOM 547 CG GLN A 71 8.034 -7.718 0.205 1.00 0.00 C ATOM 548 CD GLN A 71 6.885 -8.702 0.304 1.00 0.00 C ATOM 549 OE1 GLN A 71 6.486 -9.101 1.398 1.00 0.00 O ATOM 550 NE2 GLN A 71 6.345 -9.099 -0.843 1.00 0.00 N ATOM 0 H GLN A 71 6.914 -5.049 -0.208 1.00 0.00 H new ATOM 0 HA GLN A 71 5.893 -6.936 1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.664 -5.847 1.029 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.394 -7.103 2.222 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.002 -7.224 -0.766 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.978 -8.261 0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.707 -8.743 -1.727 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.568 -9.760 -0.839 1.00 0.00 H new ATOM 559 N PRO A 72 6.119 -6.068 3.961 1.00 0.00 N ATOM 560 CA PRO A 72 6.039 -5.502 5.311 1.00 0.00 C ATOM 561 C PRO A 72 7.415 -5.296 5.935 1.00 0.00 C ATOM 562 O PRO A 72 7.990 -6.218 6.513 1.00 0.00 O ATOM 563 CB PRO A 72 5.251 -6.556 6.092 1.00 0.00 C ATOM 564 CG PRO A 72 5.496 -7.831 5.361 1.00 0.00 C ATOM 565 CD PRO A 72 5.633 -7.457 3.911 1.00 0.00 C ATOM 0 HA PRO A 72 5.575 -4.516 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.592 -6.620 7.125 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.189 -6.315 6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.399 -8.322 5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.672 -8.530 5.508 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.335 -8.110 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 72 4.681 -7.531 3.385 1.00 0.00 H new ATOM 573 N MET A 73 7.938 -4.080 5.814 1.00 0.00 N ATOM 574 CA MET A 73 9.247 -3.752 6.368 1.00 0.00 C ATOM 575 C MET A 73 9.123 -3.286 7.816 1.00 0.00 C ATOM 576 O MET A 73 9.892 -3.704 8.680 1.00 0.00 O ATOM 577 CB MET A 73 9.924 -2.669 5.527 1.00 0.00 C ATOM 578 CG MET A 73 9.583 -2.746 4.048 1.00 0.00 C ATOM 579 SD MET A 73 8.140 -1.754 3.615 1.00 0.00 S ATOM 580 CE MET A 73 8.881 -0.532 2.535 1.00 0.00 C ATOM 0 H MET A 73 7.476 -3.306 5.337 1.00 0.00 H new ATOM 0 HA MET A 73 9.859 -4.653 6.346 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.633 -1.690 5.908 1.00 0.00 H new ATOM 0 HB3 MET A 73 11.004 -2.750 5.647 1.00 0.00 H new ATOM 0 HG2 MET A 73 10.439 -2.409 3.464 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.400 -3.785 3.775 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.152 0.247 2.312 1.00 0.00 H new ATOM 0 HE2 MET A 73 9.746 -0.088 3.027 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.197 -1.010 1.608 1.00 0.00 H new ATOM 590 N ASN A 74 8.150 -2.418 8.072 1.00 0.00 N ATOM 591 CA ASN A 74 7.927 -1.894 9.415 1.00 0.00 C ATOM 592 C ASN A 74 6.458 -2.015 9.808 1.00 0.00 C ATOM 593 O ASN A 74 5.611 -2.372 8.989 1.00 0.00 O ATOM 594 CB ASN A 74 8.370 -0.432 9.495 1.00 0.00 C ATOM 595 CG ASN A 74 9.717 -0.199 8.839 1.00 0.00 C ATOM 596 OD1 ASN A 74 10.736 -0.070 9.519 1.00 0.00 O ATOM 597 ND2 ASN A 74 9.728 -0.144 7.513 1.00 0.00 N ATOM 0 H ASN A 74 7.503 -2.063 7.368 1.00 0.00 H new ATOM 0 HA ASN A 74 8.521 -2.484 10.112 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.621 0.198 9.015 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.421 -0.127 10.540 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.605 0.011 7.016 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.859 -0.256 6.991 1.00 0.00 H new ATOM 604 N LYS A 75 6.162 -1.714 11.068 1.00 0.00 N ATOM 605 CA LYS A 75 4.796 -1.787 11.572 1.00 0.00 C ATOM 606 C LYS A 75 4.006 -0.541 11.183 1.00 0.00 C ATOM 607 O LYS A 75 2.782 -0.587 11.051 1.00 0.00 O ATOM 608 CB LYS A 75 4.800 -1.946 13.094 1.00 0.00 C ATOM 609 CG LYS A 75 3.418 -1.854 13.719 1.00 0.00 C ATOM 610 CD LYS A 75 3.464 -2.115 15.215 1.00 0.00 C ATOM 611 CE LYS A 75 4.108 -0.957 15.963 1.00 0.00 C ATOM 612 NZ LYS A 75 4.013 -1.129 17.439 1.00 0.00 N ATOM 0 H LYS A 75 6.851 -1.417 11.759 1.00 0.00 H new ATOM 0 HA LYS A 75 4.315 -2.656 11.123 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.242 -2.909 13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.438 -1.177 13.530 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.999 -0.865 13.534 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.754 -2.575 13.243 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.453 -2.274 15.589 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.023 -3.031 15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.156 -0.876 15.674 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.624 -0.024 15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.463 -0.320 17.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.013 -1.181 17.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.497 -2.006 17.718 1.00 0.00 H new ATOM 626 N ILE A 76 4.713 0.569 10.999 1.00 0.00 N ATOM 627 CA ILE A 76 4.077 1.825 10.622 1.00 0.00 C ATOM 628 C ILE A 76 4.112 2.027 9.111 1.00 0.00 C ATOM 629 O ILE A 76 3.227 2.663 8.540 1.00 0.00 O ATOM 630 CB ILE A 76 4.756 3.027 11.305 1.00 0.00 C ATOM 631 CG1 ILE A 76 4.788 2.828 12.822 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.031 4.317 10.949 1.00 0.00 C ATOM 633 CD1 ILE A 76 3.426 2.565 13.425 1.00 0.00 C ATOM 0 H ILE A 76 5.726 0.624 11.105 1.00 0.00 H new ATOM 0 HA ILE A 76 3.041 1.766 10.955 1.00 0.00 H new ATOM 0 HB ILE A 76 5.782 3.099 10.945 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.448 1.993 13.057 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.218 3.715 13.288 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.522 5.158 11.439 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.055 4.462 9.869 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.995 4.257 11.284 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.524 2.434 14.503 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.768 3.410 13.221 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.002 1.661 12.987 1.00 0.00 H new ATOM 645 N GLU A 77 5.139 1.479 8.469 1.00 0.00 N ATOM 646 CA GLU A 77 5.288 1.599 7.024 1.00 0.00 C ATOM 647 C GLU A 77 3.926 1.613 6.336 1.00 0.00 C ATOM 648 O GLU A 77 3.715 2.344 5.368 1.00 0.00 O ATOM 649 CB GLU A 77 6.135 0.447 6.479 1.00 0.00 C ATOM 650 CG GLU A 77 5.389 -0.876 6.406 1.00 0.00 C ATOM 651 CD GLU A 77 4.366 -0.907 5.288 1.00 0.00 C ATOM 652 OE1 GLU A 77 4.691 -0.445 4.174 1.00 0.00 O ATOM 653 OE2 GLU A 77 3.241 -1.394 5.526 1.00 0.00 O ATOM 0 H GLU A 77 5.880 0.948 8.927 1.00 0.00 H new ATOM 0 HA GLU A 77 5.792 2.542 6.813 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.491 0.709 5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.015 0.324 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.105 -1.685 6.261 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.889 -1.060 7.357 1.00 0.00 H new ATOM 660 N ARG A 78 3.005 0.799 6.842 1.00 0.00 N ATOM 661 CA ARG A 78 1.664 0.716 6.276 1.00 0.00 C ATOM 662 C ARG A 78 0.963 2.070 6.338 1.00 0.00 C ATOM 663 O ARG A 78 0.485 2.579 5.325 1.00 0.00 O ATOM 664 CB ARG A 78 0.837 -0.334 7.021 1.00 0.00 C ATOM 665 CG ARG A 78 -0.501 -0.632 6.366 1.00 0.00 C ATOM 666 CD ARG A 78 -0.925 -2.074 6.595 1.00 0.00 C ATOM 667 NE ARG A 78 -1.007 -2.401 8.016 1.00 0.00 N ATOM 668 CZ ARG A 78 -2.042 -2.081 8.785 1.00 0.00 C ATOM 669 NH1 ARG A 78 -3.077 -1.430 8.272 1.00 0.00 N ATOM 670 NH2 ARG A 78 -2.043 -2.413 10.070 1.00 0.00 N ATOM 0 H ARG A 78 3.163 0.188 7.643 1.00 0.00 H new ATOM 0 HA ARG A 78 1.755 0.421 5.231 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.413 -1.257 7.088 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.664 0.009 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.261 0.040 6.766 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.435 -0.437 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.894 -2.246 6.127 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.214 -2.742 6.110 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.227 -2.902 8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.080 -1.174 7.285 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.870 -1.186 8.865 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.249 -2.914 10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.838 -2.167 10.660 1.00 0.00 H new ATOM 684 N SER A 79 0.906 2.646 7.535 1.00 0.00 N ATOM 685 CA SER A 79 0.259 3.938 7.730 1.00 0.00 C ATOM 686 C SER A 79 0.914 5.010 6.864 1.00 0.00 C ATOM 687 O SER A 79 0.237 5.719 6.118 1.00 0.00 O ATOM 688 CB SER A 79 0.325 4.347 9.203 1.00 0.00 C ATOM 689 OG SER A 79 -0.653 3.662 9.967 1.00 0.00 O ATOM 0 H SER A 79 1.300 2.239 8.383 1.00 0.00 H new ATOM 0 HA SER A 79 -0.785 3.843 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.317 4.131 9.599 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.173 5.423 9.292 1.00 0.00 H new ATOM 0 HG SER A 79 -0.589 3.939 10.905 1.00 0.00 H new ATOM 695 N ILE A 80 2.234 5.122 6.968 1.00 0.00 N ATOM 696 CA ILE A 80 2.980 6.105 6.194 1.00 0.00 C ATOM 697 C ILE A 80 2.625 6.024 4.713 1.00 0.00 C ATOM 698 O ILE A 80 2.103 6.978 4.135 1.00 0.00 O ATOM 699 CB ILE A 80 4.500 5.914 6.356 1.00 0.00 C ATOM 700 CG1 ILE A 80 4.889 5.984 7.834 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.254 6.964 5.554 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.194 5.285 8.149 1.00 0.00 C ATOM 0 H ILE A 80 2.808 4.544 7.581 1.00 0.00 H new ATOM 0 HA ILE A 80 2.702 7.086 6.579 1.00 0.00 H new ATOM 0 HB ILE A 80 4.771 4.930 5.974 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.965 7.030 8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.094 5.539 8.432 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.327 6.816 5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.995 6.872 4.499 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.981 7.958 5.909 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.407 5.375 9.214 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.116 4.231 7.882 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.000 5.745 7.578 1.00 0.00 H new ATOM 714 N LEU A 81 2.909 4.878 4.104 1.00 0.00 N ATOM 715 CA LEU A 81 2.617 4.670 2.690 1.00 0.00 C ATOM 716 C LEU A 81 1.166 5.022 2.376 1.00 0.00 C ATOM 717 O LEU A 81 0.881 5.703 1.390 1.00 0.00 O ATOM 718 CB LEU A 81 2.898 3.218 2.299 1.00 0.00 C ATOM 719 CG LEU A 81 2.436 2.797 0.904 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.142 3.619 -0.163 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.682 1.311 0.686 1.00 0.00 C ATOM 0 H LEU A 81 3.341 4.079 4.567 1.00 0.00 H new ATOM 0 HA LEU A 81 3.265 5.328 2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.972 3.044 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.419 2.567 3.030 1.00 0.00 H new ATOM 0 HG LEU A 81 1.365 2.982 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.800 3.305 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.914 4.675 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.219 3.467 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.347 1.029 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.747 1.100 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.129 0.738 1.430 1.00 0.00 H new ATOM 733 N HIS A 82 0.253 4.554 3.221 1.00 0.00 N ATOM 734 CA HIS A 82 -1.169 4.822 3.035 1.00 0.00 C ATOM 735 C HIS A 82 -1.413 6.306 2.778 1.00 0.00 C ATOM 736 O HIS A 82 -2.197 6.673 1.902 1.00 0.00 O ATOM 737 CB HIS A 82 -1.960 4.368 4.262 1.00 0.00 C ATOM 738 CG HIS A 82 -2.183 2.888 4.317 1.00 0.00 C ATOM 739 ND1 HIS A 82 -2.516 2.135 3.210 1.00 0.00 N ATOM 740 CD2 HIS A 82 -2.118 2.020 5.354 1.00 0.00 C ATOM 741 CE1 HIS A 82 -2.648 0.870 3.564 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.411 0.773 4.860 1.00 0.00 N ATOM 0 H HIS A 82 0.472 3.988 4.041 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.509 4.260 2.165 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.430 4.681 5.162 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.926 4.873 4.269 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.880 2.263 6.379 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.906 0.053 2.906 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.441 -0.089 5.405 1.00 0.00 H new ATOM 750 N ASP A 83 -0.739 7.153 3.547 1.00 0.00 N ATOM 751 CA ASP A 83 -0.882 8.597 3.402 1.00 0.00 C ATOM 752 C ASP A 83 -0.305 9.070 2.072 1.00 0.00 C ATOM 753 O ASP A 83 -0.896 9.907 1.389 1.00 0.00 O ATOM 754 CB ASP A 83 -0.189 9.318 4.559 1.00 0.00 C ATOM 755 CG ASP A 83 -0.464 10.809 4.560 1.00 0.00 C ATOM 756 OD1 ASP A 83 -0.127 11.475 3.559 1.00 0.00 O ATOM 757 OD2 ASP A 83 -1.017 11.310 5.562 1.00 0.00 O ATOM 0 H ASP A 83 -0.088 6.865 4.277 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.945 8.836 3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -0.524 8.889 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.886 9.150 4.496 1.00 0.00 H new ATOM 762 N VAL A 84 0.854 8.529 1.709 1.00 0.00 N ATOM 763 CA VAL A 84 1.512 8.895 0.461 1.00 0.00 C ATOM 764 C VAL A 84 0.648 8.533 -0.742 1.00 0.00 C ATOM 765 O VAL A 84 0.556 9.294 -1.706 1.00 0.00 O ATOM 766 CB VAL A 84 2.881 8.203 0.323 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.541 8.582 -0.994 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.777 8.558 1.500 1.00 0.00 C ATOM 0 H VAL A 84 1.357 7.835 2.262 1.00 0.00 H new ATOM 0 HA VAL A 84 1.661 9.974 0.487 1.00 0.00 H new ATOM 0 HB VAL A 84 2.726 7.124 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.507 8.084 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.904 8.273 -1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.686 9.662 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.740 8.061 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.927 9.637 1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.306 8.231 2.427 1.00 0.00 H new ATOM 778 N VAL A 85 0.015 7.366 -0.679 1.00 0.00 N ATOM 779 CA VAL A 85 -0.843 6.902 -1.763 1.00 0.00 C ATOM 780 C VAL A 85 -2.073 7.791 -1.908 1.00 0.00 C ATOM 781 O VAL A 85 -2.289 8.402 -2.954 1.00 0.00 O ATOM 782 CB VAL A 85 -1.298 5.448 -1.536 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.227 4.998 -2.653 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.093 4.525 -1.428 1.00 0.00 C ATOM 0 H VAL A 85 0.080 6.724 0.111 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.252 6.951 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.850 5.400 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.538 3.968 -2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.105 5.643 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.705 5.060 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.432 3.501 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.487 4.575 -2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.530 4.836 -0.589 1.00 0.00 H new ATOM 794 N GLU A 86 -2.876 7.858 -0.851 1.00 0.00 N ATOM 795 CA GLU A 86 -4.085 8.673 -0.861 1.00 0.00 C ATOM 796 C GLU A 86 -3.797 10.068 -1.409 1.00 0.00 C ATOM 797 O GLU A 86 -4.613 10.645 -2.128 1.00 0.00 O ATOM 798 CB GLU A 86 -4.669 8.777 0.549 1.00 0.00 C ATOM 799 CG GLU A 86 -3.968 9.804 1.423 1.00 0.00 C ATOM 800 CD GLU A 86 -4.757 10.141 2.674 1.00 0.00 C ATOM 801 OE1 GLU A 86 -4.944 9.240 3.518 1.00 0.00 O ATOM 802 OE2 GLU A 86 -5.186 11.306 2.808 1.00 0.00 O ATOM 0 H GLU A 86 -2.711 7.358 0.023 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.813 8.189 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.726 9.034 0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.610 7.801 1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -2.987 9.424 1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.802 10.714 0.846 1.00 0.00 H new ATOM 809 N VAL A 87 -2.631 10.603 -1.063 1.00 0.00 N ATOM 810 CA VAL A 87 -2.234 11.930 -1.519 1.00 0.00 C ATOM 811 C VAL A 87 -1.878 11.917 -3.002 1.00 0.00 C ATOM 812 O VAL A 87 -2.229 12.835 -3.743 1.00 0.00 O ATOM 813 CB VAL A 87 -1.030 12.462 -0.718 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.553 13.789 -1.289 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.391 12.604 0.753 1.00 0.00 C ATOM 0 H VAL A 87 -1.945 10.138 -0.469 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.087 12.589 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.214 11.744 -0.801 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.298 14.149 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.253 13.651 -2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.361 14.519 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.530 12.981 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.222 13.301 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.680 11.632 1.152 1.00 0.00 H new ATOM 825 N ALA A 88 -1.178 10.871 -3.428 1.00 0.00 N ATOM 826 CA ALA A 88 -0.776 10.737 -4.822 1.00 0.00 C ATOM 827 C ALA A 88 -1.993 10.648 -5.738 1.00 0.00 C ATOM 828 O ALA A 88 -1.953 11.092 -6.884 1.00 0.00 O ATOM 829 CB ALA A 88 0.112 9.514 -5.001 1.00 0.00 C ATOM 0 H ALA A 88 -0.877 10.104 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.210 11.627 -5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.404 9.427 -6.047 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.003 9.618 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.435 8.620 -4.701 1.00 0.00 H new ATOM 835 N GLY A 89 -3.074 10.069 -5.224 1.00 0.00 N ATOM 836 CA GLY A 89 -4.286 9.931 -6.009 1.00 0.00 C ATOM 837 C GLY A 89 -4.524 8.505 -6.464 1.00 0.00 C ATOM 838 O GLY A 89 -5.037 8.272 -7.559 1.00 0.00 O ATOM 0 H GLY A 89 -3.132 9.693 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.138 10.267 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.226 10.582 -6.881 1.00 0.00 H new ATOM 842 N LEU A 90 -4.148 7.547 -5.623 1.00 0.00 N ATOM 843 CA LEU A 90 -4.322 6.135 -5.945 1.00 0.00 C ATOM 844 C LEU A 90 -5.071 5.411 -4.832 1.00 0.00 C ATOM 845 O LEU A 90 -5.220 5.933 -3.727 1.00 0.00 O ATOM 846 CB LEU A 90 -2.962 5.474 -6.175 1.00 0.00 C ATOM 847 CG LEU A 90 -2.223 5.883 -7.450 1.00 0.00 C ATOM 848 CD1 LEU A 90 -0.813 5.313 -7.456 1.00 0.00 C ATOM 849 CD2 LEU A 90 -2.990 5.425 -8.681 1.00 0.00 C ATOM 0 H LEU A 90 -3.721 7.723 -4.714 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.912 6.065 -6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.323 5.698 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.104 4.393 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.153 6.971 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.303 5.614 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.264 5.690 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.860 4.225 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.449 5.725 -9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.091 4.340 -8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.980 5.882 -8.684 1.00 0.00 H new ATOM 861 N THR A 91 -5.539 4.203 -5.129 1.00 0.00 N ATOM 862 CA THR A 91 -6.272 3.405 -4.154 1.00 0.00 C ATOM 863 C THR A 91 -5.319 2.647 -3.237 1.00 0.00 C ATOM 864 O THR A 91 -4.381 1.998 -3.701 1.00 0.00 O ATOM 865 CB THR A 91 -7.213 2.400 -4.843 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.010 3.069 -5.827 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.118 1.721 -3.826 1.00 0.00 C ATOM 0 H THR A 91 -5.423 3.755 -6.038 1.00 0.00 H new ATOM 0 HA THR A 91 -6.867 4.099 -3.561 1.00 0.00 H new ATOM 0 HB THR A 91 -6.602 1.638 -5.328 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.829 2.685 -6.710 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.774 1.016 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.509 1.188 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.720 2.473 -3.316 1.00 0.00 H new ATOM 875 N SER A 92 -5.566 2.732 -1.934 1.00 0.00 N ATOM 876 CA SER A 92 -4.727 2.055 -0.951 1.00 0.00 C ATOM 877 C SER A 92 -5.535 1.029 -0.161 1.00 0.00 C ATOM 878 O SER A 92 -6.724 1.222 0.094 1.00 0.00 O ATOM 879 CB SER A 92 -4.101 3.073 0.004 1.00 0.00 C ATOM 880 OG SER A 92 -5.043 3.517 0.965 1.00 0.00 O ATOM 0 H SER A 92 -6.340 3.263 -1.534 1.00 0.00 H new ATOM 0 HA SER A 92 -3.933 1.533 -1.485 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.246 2.624 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.726 3.925 -0.563 1.00 0.00 H new ATOM 0 HG SER A 92 -4.618 4.165 1.564 1.00 0.00 H new ATOM 886 N PHE A 93 -4.881 -0.062 0.223 1.00 0.00 N ATOM 887 CA PHE A 93 -5.538 -1.119 0.982 1.00 0.00 C ATOM 888 C PHE A 93 -4.511 -1.989 1.702 1.00 0.00 C ATOM 889 O PHE A 93 -3.313 -1.907 1.432 1.00 0.00 O ATOM 890 CB PHE A 93 -6.396 -1.983 0.057 1.00 0.00 C ATOM 891 CG PHE A 93 -7.703 -1.344 -0.319 1.00 0.00 C ATOM 892 CD1 PHE A 93 -8.656 -1.067 0.647 1.00 0.00 C ATOM 893 CD2 PHE A 93 -7.977 -1.021 -1.638 1.00 0.00 C ATOM 894 CE1 PHE A 93 -9.860 -0.480 0.304 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.178 -0.433 -1.987 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.120 -0.161 -1.015 1.00 0.00 C ATOM 0 H PHE A 93 -3.897 -0.237 0.021 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.180 -0.651 1.728 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.832 -2.200 -0.850 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.594 -2.937 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -8.457 -1.312 1.680 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.244 -1.231 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -10.596 -0.271 1.066 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.379 -0.187 -3.019 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.058 0.300 -1.285 1.00 0.00 H new ATOM 906 N SER A 94 -4.990 -2.822 2.620 1.00 0.00 N ATOM 907 CA SER A 94 -4.115 -3.705 3.383 1.00 0.00 C ATOM 908 C SER A 94 -4.666 -5.127 3.408 1.00 0.00 C ATOM 909 O SER A 94 -5.742 -5.379 3.950 1.00 0.00 O ATOM 910 CB SER A 94 -3.951 -3.184 4.812 1.00 0.00 C ATOM 911 OG SER A 94 -3.673 -1.795 4.820 1.00 0.00 O ATOM 0 H SER A 94 -5.979 -2.904 2.854 1.00 0.00 H new ATOM 0 HA SER A 94 -3.140 -3.721 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.861 -3.379 5.380 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.144 -3.722 5.308 1.00 0.00 H new ATOM 0 HG SER A 94 -4.164 -1.367 5.552 1.00 0.00 H new ATOM 917 N PHE A 95 -3.920 -6.054 2.815 1.00 0.00 N ATOM 918 CA PHE A 95 -4.333 -7.452 2.768 1.00 0.00 C ATOM 919 C PHE A 95 -3.243 -8.360 3.328 1.00 0.00 C ATOM 920 O PHE A 95 -2.099 -8.329 2.875 1.00 0.00 O ATOM 921 CB PHE A 95 -4.663 -7.859 1.330 1.00 0.00 C ATOM 922 CG PHE A 95 -5.781 -7.062 0.723 1.00 0.00 C ATOM 923 CD1 PHE A 95 -5.524 -5.861 0.082 1.00 0.00 C ATOM 924 CD2 PHE A 95 -7.089 -7.513 0.794 1.00 0.00 C ATOM 925 CE1 PHE A 95 -6.551 -5.124 -0.479 1.00 0.00 C ATOM 926 CE2 PHE A 95 -8.120 -6.781 0.235 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.851 -5.585 -0.401 1.00 0.00 C ATOM 0 H PHE A 95 -3.027 -5.862 2.361 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.225 -7.563 3.384 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.771 -7.745 0.715 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -4.930 -8.916 1.312 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.509 -5.496 0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -7.306 -8.447 1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.337 -4.190 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.135 -7.144 0.296 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.656 -5.011 -0.837 1.00 0.00 H new ATOM 937 N GLY A 96 -3.606 -9.170 4.319 1.00 0.00 N ATOM 938 CA GLY A 96 -2.649 -10.075 4.926 1.00 0.00 C ATOM 939 C GLY A 96 -3.204 -11.475 5.101 1.00 0.00 C ATOM 940 O GLY A 96 -4.347 -11.647 5.524 1.00 0.00 O ATOM 0 H GLY A 96 -4.546 -9.215 4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.752 -10.118 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.348 -9.683 5.898 1.00 0.00 H new ATOM 944 N GLU A 97 -2.394 -12.476 4.773 1.00 0.00 N ATOM 945 CA GLU A 97 -2.814 -13.868 4.894 1.00 0.00 C ATOM 946 C GLU A 97 -2.901 -14.284 6.360 1.00 0.00 C ATOM 947 O GLU A 97 -3.867 -14.921 6.779 1.00 0.00 O ATOM 948 CB GLU A 97 -1.840 -14.784 4.149 1.00 0.00 C ATOM 949 CG GLU A 97 -2.013 -14.757 2.640 1.00 0.00 C ATOM 950 CD GLU A 97 -3.148 -15.644 2.167 1.00 0.00 C ATOM 951 OE1 GLU A 97 -4.212 -15.646 2.820 1.00 0.00 O ATOM 952 OE2 GLU A 97 -2.972 -16.337 1.143 1.00 0.00 O ATOM 0 H GLU A 97 -1.445 -12.350 4.422 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.804 -13.963 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.819 -14.491 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.973 -15.806 4.503 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.199 -13.732 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.085 -15.077 2.166 1.00 0.00 H new ATOM 959 N ASP A 98 -1.884 -13.920 7.133 1.00 0.00 N ATOM 960 CA ASP A 98 -1.845 -14.255 8.552 1.00 0.00 C ATOM 961 C ASP A 98 -1.840 -12.992 9.408 1.00 0.00 C ATOM 962 O ASP A 98 -1.548 -11.901 8.920 1.00 0.00 O ATOM 963 CB ASP A 98 -0.610 -15.102 8.864 1.00 0.00 C ATOM 964 CG ASP A 98 -0.769 -16.543 8.419 1.00 0.00 C ATOM 965 OD1 ASP A 98 -0.556 -16.820 7.221 1.00 0.00 O ATOM 966 OD2 ASP A 98 -1.107 -17.393 9.269 1.00 0.00 O ATOM 0 H ASP A 98 -1.076 -13.393 6.801 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.740 -14.830 8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.260 -14.667 8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.416 -15.075 9.936 1.00 0.00 H new ATOM 971 N ASP A 99 -2.167 -13.150 10.686 1.00 0.00 N ATOM 972 CA ASP A 99 -2.200 -12.022 11.611 1.00 0.00 C ATOM 973 C ASP A 99 -0.817 -11.394 11.753 1.00 0.00 C ATOM 974 O ASP A 99 -0.679 -10.171 11.771 1.00 0.00 O ATOM 975 CB ASP A 99 -2.712 -12.473 12.980 1.00 0.00 C ATOM 976 CG ASP A 99 -2.200 -13.847 13.365 1.00 0.00 C ATOM 977 OD1 ASP A 99 -2.753 -14.849 12.864 1.00 0.00 O ATOM 978 OD2 ASP A 99 -1.246 -13.921 14.168 1.00 0.00 O ATOM 0 H ASP A 99 -2.413 -14.047 11.105 1.00 0.00 H new ATOM 0 HA ASP A 99 -2.879 -11.272 11.206 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -2.406 -11.749 13.736 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -3.802 -12.484 12.972 1.00 0.00 H new ATOM 983 N ASP A 100 0.203 -12.239 11.853 1.00 0.00 N ATOM 984 CA ASP A 100 1.576 -11.767 11.993 1.00 0.00 C ATOM 985 C ASP A 100 2.063 -11.121 10.700 1.00 0.00 C ATOM 986 O ASP A 100 2.749 -10.098 10.726 1.00 0.00 O ATOM 987 CB ASP A 100 2.499 -12.924 12.379 1.00 0.00 C ATOM 988 CG ASP A 100 1.866 -13.857 13.393 1.00 0.00 C ATOM 989 OD1 ASP A 100 0.910 -14.571 13.025 1.00 0.00 O ATOM 990 OD2 ASP A 100 2.325 -13.871 14.554 1.00 0.00 O ATOM 0 H ASP A 100 0.105 -13.254 11.840 1.00 0.00 H new ATOM 0 HA ASP A 100 1.597 -11.017 12.783 1.00 0.00 H new ATOM 0 HB2 ASP A 100 2.762 -13.489 11.485 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.427 -12.524 12.788 1.00 0.00 H new ATOM 995 N CYS A 101 1.705 -11.724 9.572 1.00 0.00 N ATOM 996 CA CYS A 101 2.107 -11.208 8.268 1.00 0.00 C ATOM 997 C CYS A 101 1.068 -10.233 7.725 1.00 0.00 C ATOM 998 O CYS A 101 -0.035 -10.632 7.351 1.00 0.00 O ATOM 999 CB CYS A 101 2.310 -12.359 7.282 1.00 0.00 C ATOM 1000 SG CYS A 101 3.072 -11.866 5.718 1.00 0.00 S ATOM 0 H CYS A 101 1.137 -12.571 9.534 1.00 0.00 H new ATOM 0 HA CYS A 101 3.049 -10.674 8.390 1.00 0.00 H new ATOM 0 HB2 CYS A 101 2.932 -13.121 7.752 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.344 -12.820 7.074 1.00 0.00 H new ATOM 0 HG CYS A 101 3.204 -12.908 4.952 1.00 0.00 H new ATOM 1006 N ARG A 102 1.427 -8.954 7.686 1.00 0.00 N ATOM 1007 CA ARG A 102 0.525 -7.922 7.192 1.00 0.00 C ATOM 1008 C ARG A 102 1.236 -7.009 6.197 1.00 0.00 C ATOM 1009 O ARG A 102 2.053 -6.172 6.582 1.00 0.00 O ATOM 1010 CB ARG A 102 -0.026 -7.096 8.355 1.00 0.00 C ATOM 1011 CG ARG A 102 -1.114 -7.805 9.145 1.00 0.00 C ATOM 1012 CD ARG A 102 -2.474 -7.653 8.481 1.00 0.00 C ATOM 1013 NE ARG A 102 -2.899 -6.257 8.420 1.00 0.00 N ATOM 1014 CZ ARG A 102 -4.170 -5.879 8.331 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -5.134 -6.788 8.293 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -4.477 -4.589 8.280 1.00 0.00 N ATOM 0 H ARG A 102 2.337 -8.608 7.991 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.303 -8.413 6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.792 -6.841 9.028 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.423 -6.158 7.967 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.868 -8.863 9.236 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.154 -7.399 10.156 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.433 -8.064 7.472 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.214 -8.234 9.032 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.181 -5.533 8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.901 -7.780 8.332 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.109 -6.495 8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.737 -3.887 8.309 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.453 -4.299 8.212 1.00 0.00 H new ATOM 1030 N TYR A 103 0.920 -7.176 4.918 1.00 0.00 N ATOM 1031 CA TYR A 103 1.531 -6.369 3.868 1.00 0.00 C ATOM 1032 C TYR A 103 0.530 -5.370 3.297 1.00 0.00 C ATOM 1033 O TYR A 103 -0.678 -5.610 3.305 1.00 0.00 O ATOM 1034 CB TYR A 103 2.066 -7.267 2.752 1.00 0.00 C ATOM 1035 CG TYR A 103 0.987 -8.040 2.027 1.00 0.00 C ATOM 1036 CD1 TYR A 103 0.093 -7.397 1.181 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.863 -9.415 2.189 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -0.894 -8.099 0.517 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.121 -10.126 1.529 1.00 0.00 C ATOM 1040 CZ TYR A 103 -0.997 -9.463 0.695 1.00 0.00 C ATOM 1041 OH TYR A 103 -1.979 -10.167 0.035 1.00 0.00 O ATOM 0 H TYR A 103 0.244 -7.863 4.583 1.00 0.00 H new ATOM 0 HA TYR A 103 2.360 -5.814 4.307 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.608 -6.654 2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.783 -7.970 3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 103 0.171 -6.329 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.547 -9.936 2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -1.581 -7.583 -0.138 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.204 -11.194 1.665 1.00 0.00 H new ATOM 0 HH TYR A 103 -1.914 -11.117 0.268 1.00 0.00 H new ATOM 1051 N VAL A 104 1.041 -4.248 2.800 1.00 0.00 N ATOM 1052 CA VAL A 104 0.194 -3.212 2.222 1.00 0.00 C ATOM 1053 C VAL A 104 0.030 -3.410 0.720 1.00 0.00 C ATOM 1054 O VAL A 104 0.867 -4.038 0.072 1.00 0.00 O ATOM 1055 CB VAL A 104 0.767 -1.807 2.484 1.00 0.00 C ATOM 1056 CG1 VAL A 104 2.101 -1.633 1.774 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.222 -0.737 2.047 1.00 0.00 C ATOM 0 H VAL A 104 2.038 -4.033 2.786 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.780 -3.295 2.705 1.00 0.00 H new ATOM 0 HB VAL A 104 0.935 -1.697 3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.490 -0.634 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.808 -2.377 2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.962 -1.763 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.200 0.249 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.425 -0.843 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.151 -0.850 2.606 1.00 0.00 H new ATOM 1067 N MET A 105 -1.053 -2.870 0.171 1.00 0.00 N ATOM 1068 CA MET A 105 -1.326 -2.986 -1.256 1.00 0.00 C ATOM 1069 C MET A 105 -1.897 -1.684 -1.809 1.00 0.00 C ATOM 1070 O MET A 105 -2.399 -0.848 -1.057 1.00 0.00 O ATOM 1071 CB MET A 105 -2.299 -4.137 -1.520 1.00 0.00 C ATOM 1072 CG MET A 105 -1.612 -5.466 -1.788 1.00 0.00 C ATOM 1073 SD MET A 105 -2.763 -6.750 -2.313 1.00 0.00 S ATOM 1074 CE MET A 105 -2.392 -6.843 -4.063 1.00 0.00 C ATOM 0 H MET A 105 -1.756 -2.347 0.693 1.00 0.00 H new ATOM 0 HA MET A 105 -0.384 -3.193 -1.764 1.00 0.00 H new ATOM 0 HB2 MET A 105 -2.961 -4.246 -0.661 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.926 -3.883 -2.375 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.852 -5.329 -2.557 1.00 0.00 H new ATOM 0 HG3 MET A 105 -1.097 -5.793 -0.885 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.211 -7.340 -4.583 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.266 -5.837 -4.462 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.472 -7.409 -4.210 1.00 0.00 H new ATOM 1084 N ILE A 106 -1.818 -1.519 -3.125 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.328 -0.320 -3.776 1.00 0.00 C ATOM 1086 C ILE A 106 -2.923 -0.646 -5.142 1.00 0.00 C ATOM 1087 O ILE A 106 -2.362 -1.435 -5.903 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.224 0.740 -3.949 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.035 0.149 -4.709 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -0.782 1.271 -2.594 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.717 1.165 -5.541 1.00 0.00 C ATOM 0 H ILE A 106 -1.405 -2.201 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.108 0.082 -3.129 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.626 1.571 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.653 -0.304 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.391 -0.649 -5.360 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.002 2.019 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.633 1.725 -2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.394 0.450 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.546 0.675 -6.051 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.044 1.601 -6.279 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.104 1.952 -4.893 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.061 -0.033 -5.447 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.733 -0.257 -6.722 1.00 0.00 C ATOM 1105 C PHE A 107 -4.934 1.057 -7.470 1.00 0.00 C ATOM 1106 O PHE A 107 -4.679 2.136 -6.933 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.083 -0.942 -6.498 1.00 0.00 C ATOM 1108 CG PHE A 107 -5.964 -2.356 -6.006 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.367 -2.630 -4.785 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.449 -3.410 -6.762 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.256 -3.930 -4.330 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.341 -4.712 -6.312 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.744 -4.972 -5.093 1.00 0.00 C ATOM 0 H PHE A 107 -4.538 0.623 -4.829 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.101 -0.906 -7.328 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.660 -0.363 -5.777 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.643 -0.937 -7.433 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -4.985 -1.819 -4.183 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -6.917 -3.212 -7.715 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.788 -4.131 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.722 -5.525 -6.912 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.659 -5.988 -4.738 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.392 0.960 -8.713 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.629 2.140 -9.536 1.00 0.00 C ATOM 1125 C LYS A 108 -7.071 2.618 -9.400 1.00 0.00 C ATOM 1126 O LYS A 108 -7.899 1.956 -8.774 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.319 1.834 -11.003 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.876 2.110 -11.390 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.710 2.200 -12.898 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.518 3.065 -13.277 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.325 3.127 -14.752 1.00 0.00 N ATOM 0 H LYS A 108 -5.607 0.075 -9.173 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.967 2.933 -9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.546 0.787 -11.203 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.977 2.429 -11.636 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.547 3.042 -10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.236 1.319 -10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.581 1.200 -13.311 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.616 2.613 -13.341 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.662 4.073 -12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.617 2.667 -12.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.503 3.726 -14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.163 2.168 -15.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.174 3.530 -15.197 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.366 3.770 -9.992 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.709 4.336 -9.939 1.00 0.00 C ATOM 1147 C LYS A 109 -9.703 3.448 -10.680 1.00 0.00 C ATOM 1148 O LYS A 109 -10.779 3.143 -10.166 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.716 5.742 -10.544 1.00 0.00 C ATOM 1150 CG LYS A 109 -9.982 6.527 -10.244 1.00 0.00 C ATOM 1151 CD LYS A 109 -9.814 8.001 -10.570 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.134 8.749 -10.466 1.00 0.00 C ATOM 1153 NZ LYS A 109 -11.000 10.172 -10.882 1.00 0.00 N ATOM 0 H LYS A 109 -6.693 4.331 -10.514 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.011 4.395 -8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.857 6.296 -10.165 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.594 5.664 -11.624 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -10.811 6.118 -10.822 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.241 6.413 -9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.088 8.445 -9.888 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.412 8.108 -11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.880 8.257 -11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.497 8.704 -9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -11.921 10.647 -10.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -10.307 10.649 -10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.678 10.216 -11.870 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.335 3.035 -11.889 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.196 2.180 -12.698 1.00 0.00 C ATOM 1169 C GLU A 110 -10.089 0.724 -12.254 1.00 0.00 C ATOM 1170 O GLU A 110 -11.086 0.003 -12.210 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.826 2.302 -14.178 1.00 0.00 C ATOM 1172 CG GLU A 110 -9.886 3.726 -14.706 1.00 0.00 C ATOM 1173 CD GLU A 110 -11.283 4.129 -15.136 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -12.237 3.866 -14.374 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -11.422 4.708 -16.234 1.00 0.00 O ATOM 0 H GLU A 110 -8.448 3.278 -12.329 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.226 2.509 -12.559 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.819 1.911 -14.325 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -10.500 1.677 -14.765 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.535 4.411 -13.934 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.206 3.825 -15.552 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.874 0.298 -11.928 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.636 -1.072 -11.489 1.00 0.00 C ATOM 1184 C PHE A 111 -8.839 -1.203 -9.982 1.00 0.00 C ATOM 1185 O PHE A 111 -8.381 -2.164 -9.365 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.219 -1.511 -11.864 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.906 -1.344 -13.323 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.188 -2.356 -14.227 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -6.331 -0.173 -13.792 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -6.900 -2.205 -15.570 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -6.042 -0.016 -15.135 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.328 -1.033 -16.025 1.00 0.00 C ATOM 0 H PHE A 111 -8.038 0.882 -11.959 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.355 -1.719 -11.992 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.502 -0.935 -11.279 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.087 -2.558 -11.590 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -7.638 -3.273 -13.878 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -6.106 0.626 -13.101 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.122 -3.003 -16.263 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.593 0.901 -15.488 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.105 -0.912 -17.075 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.528 -0.229 -9.397 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.794 -0.236 -7.964 1.00 0.00 C ATOM 1204 C ALA A 112 -10.790 -1.330 -7.595 1.00 0.00 C ATOM 1205 O ALA A 112 -11.722 -1.631 -8.340 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.311 1.123 -7.516 1.00 0.00 C ATOM 0 H ALA A 112 -9.912 0.575 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.857 -0.445 -7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.505 1.103 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.565 1.887 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.234 1.355 -8.048 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.590 -1.942 -6.418 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.460 -3.013 -5.924 1.00 0.00 C ATOM 1214 C PRO A 113 -12.843 -2.502 -5.535 1.00 0.00 C ATOM 1215 O PRO A 113 -13.030 -1.310 -5.291 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.716 -3.535 -4.692 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.887 -2.384 -4.235 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.498 -1.634 -5.479 1.00 0.00 C ATOM 0 HA PRO A 113 -11.641 -3.774 -6.683 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.411 -3.855 -3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.096 -4.396 -4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.449 -1.745 -3.554 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.005 -2.728 -3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.417 -0.563 -5.294 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.533 -1.965 -5.863 1.00 0.00 H new ATOM 1226 N SER A 114 -13.810 -3.412 -5.478 1.00 0.00 N ATOM 1227 CA SER A 114 -15.178 -3.053 -5.121 1.00 0.00 C ATOM 1228 C SER A 114 -15.435 -3.299 -3.638 1.00 0.00 C ATOM 1229 O SER A 114 -14.669 -3.995 -2.971 1.00 0.00 O ATOM 1230 CB SER A 114 -16.174 -3.854 -5.963 1.00 0.00 C ATOM 1231 OG SER A 114 -16.362 -3.258 -7.235 1.00 0.00 O ATOM 0 H SER A 114 -13.672 -4.403 -5.674 1.00 0.00 H new ATOM 0 HA SER A 114 -15.313 -1.991 -5.324 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.812 -4.875 -6.086 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.129 -3.915 -5.442 1.00 0.00 H new ATOM 0 HG SER A 114 -17.001 -3.789 -7.754 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.518 -2.724 -3.128 1.00 0.00 N ATOM 1238 CA ASP A 115 -16.878 -2.880 -1.724 1.00 0.00 C ATOM 1239 C ASP A 115 -16.987 -4.356 -1.352 1.00 0.00 C ATOM 1240 O ASP A 115 -16.183 -4.870 -0.575 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.201 -2.169 -1.432 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.248 -0.772 -2.017 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.629 0.140 -1.429 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -18.904 -0.589 -3.064 1.00 0.00 O ATOM 0 H ASP A 115 -17.162 -2.145 -3.666 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.091 -2.428 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -19.024 -2.758 -1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.350 -2.114 -0.354 1.00 0.00 H new ATOM 1249 N GLU A 116 -17.987 -5.030 -1.911 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.201 -6.446 -1.636 1.00 0.00 C ATOM 1251 C GLU A 116 -16.929 -7.248 -1.894 1.00 0.00 C ATOM 1252 O GLU A 116 -16.537 -8.087 -1.083 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.344 -6.989 -2.497 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.686 -6.338 -2.208 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.607 -6.339 -3.412 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -21.299 -5.631 -4.394 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -22.634 -7.048 -3.374 1.00 0.00 O ATOM 0 H GLU A 116 -18.661 -4.619 -2.557 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.468 -6.550 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.097 -6.842 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.429 -8.064 -2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -21.170 -6.863 -1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.524 -5.311 -1.880 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.290 -6.985 -3.030 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.064 -7.684 -3.396 1.00 0.00 C ATOM 1266 C GLU A 117 -13.992 -7.498 -2.325 1.00 0.00 C ATOM 1267 O GLU A 117 -13.266 -8.434 -1.989 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.547 -7.180 -4.744 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.552 -7.325 -5.875 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.872 -8.774 -6.188 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -15.036 -9.647 -5.872 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -16.956 -9.034 -6.749 1.00 0.00 O ATOM 0 H GLU A 117 -16.601 -6.293 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.292 -8.747 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.270 -6.130 -4.648 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.640 -7.726 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.471 -6.803 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.159 -6.842 -6.770 1.00 0.00 H new ATOM 1279 N LEU A 118 -13.899 -6.284 -1.795 1.00 0.00 N ATOM 1280 CA LEU A 118 -12.915 -5.973 -0.763 1.00 0.00 C ATOM 1281 C LEU A 118 -13.102 -6.872 0.455 1.00 0.00 C ATOM 1282 O LEU A 118 -12.151 -7.487 0.937 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.027 -4.505 -0.349 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.357 -3.493 -1.279 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -12.890 -2.092 -1.017 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -10.845 -3.531 -1.107 1.00 0.00 C ATOM 0 H LEU A 118 -14.492 -5.499 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.922 -6.153 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.084 -4.250 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.596 -4.395 0.646 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.593 -3.762 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.402 -1.385 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.966 -2.074 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.685 -1.812 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.384 -2.805 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.590 -3.287 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.477 -4.529 -1.346 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.334 -6.944 0.947 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.647 -7.771 2.107 1.00 0.00 C ATOM 1300 C ASP A 119 -14.218 -9.216 1.876 1.00 0.00 C ATOM 1301 O ASP A 119 -13.650 -9.855 2.762 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.144 -7.712 2.413 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.456 -8.076 3.851 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -15.818 -9.010 4.378 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.339 -7.426 4.450 1.00 0.00 O ATOM 0 H ASP A 119 -15.132 -6.440 0.561 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.094 -7.380 2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.515 -6.708 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.675 -8.391 1.746 1.00 0.00 H new ATOM 1310 N SER A 120 -14.495 -9.727 0.680 1.00 0.00 N ATOM 1311 CA SER A 120 -14.143 -11.098 0.334 1.00 0.00 C ATOM 1312 C SER A 120 -12.633 -11.249 0.180 1.00 0.00 C ATOM 1313 O SER A 120 -12.051 -12.249 0.602 1.00 0.00 O ATOM 1314 CB SER A 120 -14.843 -11.516 -0.961 1.00 0.00 C ATOM 1315 OG SER A 120 -16.241 -11.645 -0.766 1.00 0.00 O ATOM 0 H SER A 120 -14.962 -9.211 -0.065 1.00 0.00 H new ATOM 0 HA SER A 120 -14.475 -11.747 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.648 -10.777 -1.738 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.432 -12.463 -1.311 1.00 0.00 H new ATOM 0 HG SER A 120 -16.666 -11.911 -1.608 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.004 -10.249 -0.427 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.561 -10.270 -0.639 1.00 0.00 C ATOM 1323 C TYR A 121 -9.822 -10.536 0.668 1.00 0.00 C ATOM 1324 O TYR A 121 -8.958 -11.411 0.738 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.094 -8.944 -1.241 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.191 -8.895 -2.749 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.464 -9.777 -3.540 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.008 -7.968 -3.384 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.548 -9.737 -4.918 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.100 -7.921 -4.762 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.368 -8.807 -5.524 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.455 -8.763 -6.897 1.00 0.00 O ATOM 0 H TYR A 121 -12.470 -9.414 -0.781 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.333 -11.078 -1.335 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.690 -8.134 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.060 -8.765 -0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.822 -10.507 -3.069 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.581 -7.272 -2.790 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -8.976 -10.429 -5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.741 -7.195 -5.239 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.076 -8.053 -7.163 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.168 -9.776 1.702 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.537 -9.929 3.007 1.00 0.00 C ATOM 1344 C ARG A 122 -9.935 -11.254 3.651 1.00 0.00 C ATOM 1345 O ARG A 122 -9.087 -11.984 4.164 1.00 0.00 O ATOM 1346 CB ARG A 122 -9.926 -8.767 3.924 1.00 0.00 C ATOM 1347 CG ARG A 122 -8.979 -7.581 3.840 1.00 0.00 C ATOM 1348 CD ARG A 122 -9.616 -6.319 4.398 1.00 0.00 C ATOM 1349 NE ARG A 122 -8.707 -5.177 4.344 1.00 0.00 N ATOM 1350 CZ ARG A 122 -9.003 -3.979 4.836 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -10.176 -3.767 5.415 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -8.123 -2.989 4.748 1.00 0.00 N ATOM 0 H ARG A 122 -10.882 -9.048 1.661 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.456 -9.924 2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -10.933 -8.436 3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -9.958 -9.123 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.066 -7.803 4.392 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -8.692 -7.416 2.802 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -10.520 -6.090 3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -9.920 -6.492 5.430 1.00 0.00 H new ATOM 0 HE ARG A 122 -7.796 -5.306 3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -10.855 -4.525 5.484 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -10.400 -2.846 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -7.219 -3.148 4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -8.351 -2.069 5.126 1.00 0.00 H new