USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 841 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 27 GLN : amide:sc= -8.89! K(o=-9.2!,f=-4.2) USER MOD Set 1.2: A 45 HIS : no HD1:sc= -0.273 K(o=-9.2,f=-4.2) USER MOD Set 2.1: A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 93 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.6!) USER MOD Set 3.1: A 29 MET CE :methyl 160:sc= -1.74 (180deg=-1.98) USER MOD Set 3.2: A 78 GLN : amide:sc= -4.43! C(o=-6.2!,f=-4.2!) USER MOD Set 4.1: A 25 MET CE :methyl -153:sc= -2.52 (180deg=-1.42!) USER MOD Set 4.2: A 28 GLN : amide:sc= -9.34! C(o=-28!,f=-31!) USER MOD Set 4.3: A 35 GLN : amide:sc= -7.06! C(o=-28!,f=-24!) USER MOD Set 4.4: A 73 GLN : amide:sc= -1.64 K(o=-28,f=-24) USER MOD Set 4.5: A 83 GLN : amide:sc= -1.56 X(o=-28,f=-28!) USER MOD Set 4.6: A 87 MET CE :methyl -128:sc= -6.05! (180deg=-5.06!) USER MOD Set 5.1: A 20 HIS : no HE2:sc= -1.39 X(o=-1.9,f=-2) USER MOD Set 5.2: A 52 GLN : amide:sc= -0.529 K(o=-1.9,f=-4.8) USER MOD Set 6.1: A 15 GLN : amide:sc= -4.65! C(o=-6.7!,f=-13!) USER MOD Set 6.2: A 56 MET CE :methyl -169:sc= -2.02 (180deg=-1.91) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 11 GLN : amide:sc= -6.44! K(o=-6.4!,f=-1.5) USER MOD Single : A 12 MET CE :methyl -121:sc= -0.358 (180deg=-4.49) USER MOD Single : A 13 GLN : amide:sc= -1.01 K(o=-1,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 17 MET CE :methyl -110:sc= -1.42 (180deg=-3.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -145:sc= -0.0879 USER MOD Single : A 32 SER OG : rot -95:sc= 0.399 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -147:sc= -0.357 (180deg=-1.5!) USER MOD Single : A 46 MET CE :methyl -161:sc= -0.598 (180deg=-0.808) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -146:sc= -0.22 (180deg=-1.49!) USER MOD Single : A 68 MET CE :methyl -173:sc= -0.849 (180deg=-0.974) USER MOD Single : A 69 MET CE :methyl 136:sc= -0.0847 (180deg=-0.76) USER MOD Single : A 71 MET CE :methyl -160:sc= -0.461 (180deg=-1.27!) USER MOD Single : A 72 MET CE :methyl 174:sc= -3.37 (180deg=-3.48!) USER MOD Single : A 74 GLN : amide:sc= -4.5! K(o=-4.5!,f=-1.8) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -158:sc= -0.202 (180deg=-1.06) USER MOD Single : A 84 MET CE :methyl -167:sc= -2.3! (180deg=-2.33) USER MOD Single : A 88 MET CE :methyl -168:sc= -1.32 (180deg=-1.83) USER MOD Single : A 96 SER OG : rot 65:sc= 0.919 USER MOD Single : A 99 ASN : amide:sc= -4.83! K(o=-4.8!,f=-2.1) USER MOD Single : A 101 SER OG : rot 47:sc= 0.401 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -159:sc= -0.235 (180deg=-1.64) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -0.348 44.037 -8.725 1.00 0.00 N ATOM 19 CA ALA A 2 -0.994 44.814 -9.779 1.00 0.00 C ATOM 20 C ALA A 2 -2.414 45.192 -9.372 1.00 0.00 C ATOM 21 O ALA A 2 -3.114 44.411 -8.727 1.00 0.00 O ATOM 22 CB ALA A 2 -1.031 44.003 -11.077 1.00 0.00 C ATOM 0 HA ALA A 2 -0.419 45.726 -9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.514 44.589 -11.859 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.014 43.759 -11.383 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.591 43.082 -10.915 1.00 0.00 H new ATOM 28 N GLU A 3 -2.833 46.395 -9.756 1.00 0.00 N ATOM 29 CA GLU A 3 -4.174 46.874 -9.429 1.00 0.00 C ATOM 30 C GLU A 3 -5.238 45.993 -10.081 1.00 0.00 C ATOM 31 O GLU A 3 -6.383 45.949 -9.629 1.00 0.00 O ATOM 32 CB GLU A 3 -4.343 48.328 -9.897 1.00 0.00 C ATOM 33 CG GLU A 3 -4.439 48.390 -11.429 1.00 0.00 C ATOM 34 CD GLU A 3 -3.166 47.838 -12.068 1.00 0.00 C ATOM 35 OE1 GLU A 3 -2.101 48.355 -11.769 1.00 0.00 O ATOM 36 OE2 GLU A 3 -3.273 46.904 -12.846 1.00 0.00 O ATOM 0 H GLU A 3 -2.267 47.053 -10.291 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.300 46.827 -8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.241 48.758 -9.452 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.499 48.927 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.301 47.817 -11.769 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -4.596 49.420 -11.748 1.00 0.00 H new ATOM 43 N ALA A 4 -4.851 45.296 -11.148 1.00 0.00 N ATOM 44 CA ALA A 4 -5.776 44.421 -11.862 1.00 0.00 C ATOM 45 C ALA A 4 -6.129 43.200 -11.027 1.00 0.00 C ATOM 46 O ALA A 4 -6.986 42.403 -11.407 1.00 0.00 O ATOM 47 CB ALA A 4 -5.166 43.981 -13.196 1.00 0.00 C ATOM 0 H ALA A 4 -3.908 45.320 -11.535 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.691 44.982 -12.053 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.866 43.329 -13.719 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.961 44.858 -13.809 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -4.237 43.442 -13.011 1.00 0.00 H new ATOM 53 N GLN A 5 -5.475 43.074 -9.883 1.00 0.00 N ATOM 54 CA GLN A 5 -5.729 41.961 -8.979 1.00 0.00 C ATOM 55 C GLN A 5 -7.224 41.831 -8.700 1.00 0.00 C ATOM 56 O GLN A 5 -7.740 40.726 -8.536 1.00 0.00 O ATOM 57 CB GLN A 5 -4.989 42.210 -7.670 1.00 0.00 C ATOM 58 CG GLN A 5 -5.212 41.034 -6.714 1.00 0.00 C ATOM 59 CD GLN A 5 -4.573 41.326 -5.360 1.00 0.00 C ATOM 60 OE1 GLN A 5 -4.849 42.359 -4.750 1.00 0.00 O ATOM 61 NE2 GLN A 5 -3.732 40.468 -4.846 1.00 0.00 N ATOM 0 H GLN A 5 -4.764 43.729 -9.557 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.379 41.038 -9.440 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.924 42.337 -7.863 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.342 43.134 -7.212 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.280 40.855 -6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.784 40.125 -7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -3.504 39.612 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.304 40.654 -3.939 1.00 0.00 H new ATOM 70 N GLU A 6 -7.909 42.971 -8.642 1.00 0.00 N ATOM 71 CA GLU A 6 -9.344 42.988 -8.377 1.00 0.00 C ATOM 72 C GLU A 6 -10.086 42.033 -9.311 1.00 0.00 C ATOM 73 O GLU A 6 -11.043 41.375 -8.901 1.00 0.00 O ATOM 74 CB GLU A 6 -9.883 44.413 -8.549 1.00 0.00 C ATOM 75 CG GLU A 6 -9.757 44.842 -10.016 1.00 0.00 C ATOM 76 CD GLU A 6 -10.073 46.329 -10.153 1.00 0.00 C ATOM 77 OE1 GLU A 6 -11.242 46.674 -10.089 1.00 0.00 O ATOM 78 OE2 GLU A 6 -9.142 47.099 -10.320 1.00 0.00 O ATOM 0 H GLU A 6 -7.494 43.893 -8.775 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.510 42.656 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.926 44.457 -8.236 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -9.329 45.101 -7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.748 44.641 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.439 44.258 -10.634 1.00 0.00 H new ATOM 85 N GLU A 7 -9.627 41.946 -10.561 1.00 0.00 N ATOM 86 CA GLU A 7 -10.244 41.051 -11.529 1.00 0.00 C ATOM 87 C GLU A 7 -10.265 39.640 -10.972 1.00 0.00 C ATOM 88 O GLU A 7 -11.244 38.909 -11.125 1.00 0.00 O ATOM 89 CB GLU A 7 -9.458 41.075 -12.847 1.00 0.00 C ATOM 90 CG GLU A 7 -9.942 39.944 -13.765 1.00 0.00 C ATOM 91 CD GLU A 7 -9.045 38.720 -13.602 1.00 0.00 C ATOM 92 OE1 GLU A 7 -7.888 38.802 -13.981 1.00 0.00 O ATOM 93 OE2 GLU A 7 -9.528 37.717 -13.104 1.00 0.00 O ATOM 0 H GLU A 7 -8.837 42.481 -10.920 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.264 41.382 -11.721 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.589 42.038 -13.341 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.392 40.962 -12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.973 39.684 -13.524 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.932 40.277 -14.803 1.00 0.00 H new ATOM 100 N CYS A 8 -9.166 39.268 -10.323 1.00 0.00 N ATOM 101 CA CYS A 8 -9.052 37.944 -9.745 1.00 0.00 C ATOM 102 C CYS A 8 -10.049 37.769 -8.607 1.00 0.00 C ATOM 103 O CYS A 8 -10.753 36.764 -8.540 1.00 0.00 O ATOM 104 CB CYS A 8 -7.632 37.714 -9.225 1.00 0.00 C ATOM 105 SG CYS A 8 -6.452 37.937 -10.578 1.00 0.00 S ATOM 0 H CYS A 8 -8.349 39.864 -10.187 1.00 0.00 H new ATOM 0 HA CYS A 8 -9.272 37.212 -10.522 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.412 38.412 -8.417 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.543 36.709 -8.812 1.00 0.00 H new ATOM 110 N ARG A 9 -10.108 38.761 -7.719 1.00 0.00 N ATOM 111 CA ARG A 9 -11.026 38.706 -6.586 1.00 0.00 C ATOM 112 C ARG A 9 -12.450 38.444 -7.066 1.00 0.00 C ATOM 113 O ARG A 9 -13.174 37.643 -6.476 1.00 0.00 O ATOM 114 CB ARG A 9 -10.976 40.025 -5.807 1.00 0.00 C ATOM 115 CG ARG A 9 -11.813 39.903 -4.530 1.00 0.00 C ATOM 116 CD ARG A 9 -11.779 41.227 -3.765 1.00 0.00 C ATOM 117 NE ARG A 9 -12.470 41.089 -2.486 1.00 0.00 N ATOM 118 CZ ARG A 9 -11.904 40.466 -1.453 1.00 0.00 C ATOM 119 NH1 ARG A 9 -10.706 39.958 -1.567 1.00 0.00 N ATOM 120 NH2 ARG A 9 -12.549 40.362 -0.323 1.00 0.00 N ATOM 0 H ARG A 9 -9.536 39.604 -7.762 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.721 37.890 -5.931 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -9.944 40.271 -5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.355 40.838 -6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -12.841 39.643 -4.781 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.424 39.100 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.746 41.532 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.250 42.010 -4.358 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.407 41.478 -2.381 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.200 40.037 -2.449 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.276 39.482 -0.774 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -13.485 40.757 -0.232 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.117 39.885 0.469 1.00 0.00 H new ATOM 134 N GLU A 10 -12.837 39.114 -8.148 1.00 0.00 N ATOM 135 CA GLU A 10 -14.171 38.933 -8.706 1.00 0.00 C ATOM 136 C GLU A 10 -14.377 37.477 -9.114 1.00 0.00 C ATOM 137 O GLU A 10 -15.353 36.840 -8.715 1.00 0.00 O ATOM 138 CB GLU A 10 -14.352 39.841 -9.927 1.00 0.00 C ATOM 139 CG GLU A 10 -15.707 39.562 -10.589 1.00 0.00 C ATOM 140 CD GLU A 10 -15.559 38.477 -11.656 1.00 0.00 C ATOM 141 OE1 GLU A 10 -14.758 38.663 -12.559 1.00 0.00 O ATOM 142 OE2 GLU A 10 -16.248 37.474 -11.553 1.00 0.00 O ATOM 0 H GLU A 10 -12.251 39.781 -8.651 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.908 39.197 -7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -14.293 40.887 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -13.546 39.670 -10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.430 39.246 -9.837 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -16.095 40.475 -11.040 1.00 0.00 H new ATOM 149 N GLN A 11 -13.444 36.960 -9.910 1.00 0.00 N ATOM 150 CA GLN A 11 -13.518 35.578 -10.371 1.00 0.00 C ATOM 151 C GLN A 11 -13.508 34.602 -9.198 1.00 0.00 C ATOM 152 O GLN A 11 -14.201 33.587 -9.227 1.00 0.00 O ATOM 153 CB GLN A 11 -12.351 35.272 -11.313 1.00 0.00 C ATOM 154 CG GLN A 11 -12.517 36.075 -12.607 1.00 0.00 C ATOM 155 CD GLN A 11 -11.448 35.675 -13.623 1.00 0.00 C ATOM 156 OE1 GLN A 11 -11.456 36.160 -14.754 1.00 0.00 O ATOM 157 NE2 GLN A 11 -10.521 34.818 -13.287 1.00 0.00 N ATOM 0 H GLN A 11 -12.631 37.476 -10.248 1.00 0.00 H new ATOM 0 HA GLN A 11 -14.458 35.454 -10.909 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -11.406 35.526 -10.833 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -12.319 34.205 -11.536 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -13.508 35.902 -13.025 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -12.443 37.141 -12.393 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.514 34.416 -12.350 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -9.804 34.551 -13.962 1.00 0.00 H new ATOM 166 N MET A 12 -12.721 34.912 -8.167 1.00 0.00 N ATOM 167 CA MET A 12 -12.643 34.043 -6.995 1.00 0.00 C ATOM 168 C MET A 12 -14.034 33.759 -6.442 1.00 0.00 C ATOM 169 O MET A 12 -14.351 32.618 -6.104 1.00 0.00 O ATOM 170 CB MET A 12 -11.771 34.688 -5.912 1.00 0.00 C ATOM 171 CG MET A 12 -10.302 34.638 -6.340 1.00 0.00 C ATOM 172 SD MET A 12 -9.281 35.481 -5.107 1.00 0.00 S ATOM 173 CE MET A 12 -7.713 35.389 -6.008 1.00 0.00 C ATOM 0 H MET A 12 -12.136 35.747 -8.120 1.00 0.00 H new ATOM 0 HA MET A 12 -12.191 33.099 -7.299 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.078 35.721 -5.751 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.903 34.165 -4.965 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.979 33.602 -6.448 1.00 0.00 H new ATOM 0 HG3 MET A 12 -10.180 35.113 -7.314 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.980 34.849 -5.408 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.866 34.866 -6.952 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.348 36.397 -6.207 1.00 0.00 H new ATOM 183 N GLN A 13 -14.871 34.795 -6.367 1.00 0.00 N ATOM 184 CA GLN A 13 -16.231 34.618 -5.869 1.00 0.00 C ATOM 185 C GLN A 13 -16.978 33.638 -6.765 1.00 0.00 C ATOM 186 O GLN A 13 -17.618 32.704 -6.284 1.00 0.00 O ATOM 187 CB GLN A 13 -16.971 35.958 -5.851 1.00 0.00 C ATOM 188 CG GLN A 13 -16.250 36.934 -4.915 1.00 0.00 C ATOM 189 CD GLN A 13 -17.028 38.244 -4.807 1.00 0.00 C ATOM 190 OE1 GLN A 13 -16.633 39.138 -4.060 1.00 0.00 O ATOM 191 NE2 GLN A 13 -18.116 38.413 -5.512 1.00 0.00 N ATOM 0 H GLN A 13 -14.635 35.749 -6.640 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.185 34.227 -4.853 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -17.017 36.372 -6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.999 35.812 -5.518 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.141 36.486 -3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.245 37.131 -5.289 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.443 37.671 -6.131 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -18.638 39.287 -5.443 1.00 0.00 H new ATOM 200 N ARG A 14 -16.856 33.847 -8.076 1.00 0.00 N ATOM 201 CA ARG A 14 -17.475 32.982 -9.053 1.00 0.00 C ATOM 202 C ARG A 14 -16.951 31.580 -8.851 1.00 0.00 C ATOM 203 O ARG A 14 -17.706 30.607 -8.862 1.00 0.00 O ATOM 204 CB ARG A 14 -17.135 33.480 -10.458 1.00 0.00 C ATOM 205 CG ARG A 14 -17.950 32.712 -11.496 1.00 0.00 C ATOM 206 CD ARG A 14 -17.710 33.331 -12.872 1.00 0.00 C ATOM 207 NE ARG A 14 -16.380 32.980 -13.363 1.00 0.00 N ATOM 208 CZ ARG A 14 -16.144 31.812 -13.960 1.00 0.00 C ATOM 209 NH1 ARG A 14 -17.109 30.945 -14.114 1.00 0.00 N ATOM 210 NH2 ARG A 14 -14.945 31.533 -14.390 1.00 0.00 N ATOM 0 H ARG A 14 -16.326 34.620 -8.479 1.00 0.00 H new ATOM 0 HA ARG A 14 -18.559 32.986 -8.935 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -17.345 34.547 -10.535 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -16.070 33.350 -10.651 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -17.661 31.661 -11.500 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.010 32.750 -11.246 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.468 32.980 -13.573 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -17.808 34.415 -12.812 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.614 33.644 -13.246 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -18.047 31.161 -13.777 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -16.924 30.052 -14.571 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -14.190 32.208 -14.269 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -14.762 30.640 -14.847 1.00 0.00 H new ATOM 224 N GLN A 15 -15.637 31.496 -8.642 1.00 0.00 N ATOM 225 CA GLN A 15 -15.008 30.222 -8.409 1.00 0.00 C ATOM 226 C GLN A 15 -15.301 29.784 -6.986 1.00 0.00 C ATOM 227 O GLN A 15 -14.451 29.872 -6.098 1.00 0.00 O ATOM 228 CB GLN A 15 -13.495 30.325 -8.637 1.00 0.00 C ATOM 229 CG GLN A 15 -13.172 29.995 -10.097 1.00 0.00 C ATOM 230 CD GLN A 15 -13.490 31.192 -10.987 1.00 0.00 C ATOM 231 OE1 GLN A 15 -12.612 32.007 -11.267 1.00 0.00 O ATOM 232 NE2 GLN A 15 -14.700 31.348 -11.446 1.00 0.00 N ATOM 0 H GLN A 15 -15.003 32.295 -8.632 1.00 0.00 H new ATOM 0 HA GLN A 15 -15.405 29.484 -9.107 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.148 31.330 -8.395 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.969 29.638 -7.974 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.119 29.729 -10.194 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.750 29.129 -10.419 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.426 30.670 -11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.921 32.148 -12.039 1.00 0.00 H new ATOM 241 N GLN A 16 -16.519 29.316 -6.788 1.00 0.00 N ATOM 242 CA GLN A 16 -16.958 28.855 -5.479 1.00 0.00 C ATOM 243 C GLN A 16 -16.403 27.462 -5.200 1.00 0.00 C ATOM 244 O GLN A 16 -17.126 26.556 -4.782 1.00 0.00 O ATOM 245 CB GLN A 16 -18.487 28.855 -5.425 1.00 0.00 C ATOM 246 CG GLN A 16 -18.983 30.290 -5.618 1.00 0.00 C ATOM 247 CD GLN A 16 -20.507 30.351 -5.610 1.00 0.00 C ATOM 248 OE1 GLN A 16 -21.177 29.318 -5.583 1.00 0.00 O ATOM 249 NE2 GLN A 16 -21.095 31.517 -5.638 1.00 0.00 N ATOM 0 H GLN A 16 -17.227 29.244 -7.519 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.581 29.529 -4.710 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -18.893 28.207 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -18.832 28.461 -4.469 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.587 30.925 -4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.605 30.685 -6.561 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -20.536 32.370 -5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -22.113 31.575 -5.638 1.00 0.00 H new ATOM 258 N MET A 17 -15.102 27.308 -5.443 1.00 0.00 N ATOM 259 CA MET A 17 -14.428 26.032 -5.228 1.00 0.00 C ATOM 260 C MET A 17 -14.427 25.654 -3.753 1.00 0.00 C ATOM 261 O MET A 17 -14.420 24.477 -3.408 1.00 0.00 O ATOM 262 CB MET A 17 -12.981 26.107 -5.743 1.00 0.00 C ATOM 263 CG MET A 17 -12.026 26.459 -4.596 1.00 0.00 C ATOM 264 SD MET A 17 -10.511 27.170 -5.274 1.00 0.00 S ATOM 265 CE MET A 17 -11.264 28.675 -5.943 1.00 0.00 C ATOM 0 H MET A 17 -14.496 28.052 -5.789 1.00 0.00 H new ATOM 0 HA MET A 17 -14.972 25.266 -5.780 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.695 25.152 -6.184 1.00 0.00 H new ATOM 0 HB3 MET A 17 -12.906 26.857 -6.531 1.00 0.00 H new ATOM 0 HG2 MET A 17 -12.501 27.167 -3.917 1.00 0.00 H new ATOM 0 HG3 MET A 17 -11.794 25.567 -4.015 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.263 28.629 -7.032 1.00 0.00 H new ATOM 0 HE2 MET A 17 -12.290 28.759 -5.584 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.693 29.544 -5.616 1.00 0.00 H new ATOM 275 N LEU A 18 -14.416 26.667 -2.893 1.00 0.00 N ATOM 276 CA LEU A 18 -14.388 26.441 -1.454 1.00 0.00 C ATOM 277 C LEU A 18 -15.601 25.626 -0.989 1.00 0.00 C ATOM 278 O LEU A 18 -15.544 24.975 0.050 1.00 0.00 O ATOM 279 CB LEU A 18 -14.331 27.778 -0.702 1.00 0.00 C ATOM 280 CG LEU A 18 -15.057 28.877 -1.491 1.00 0.00 C ATOM 281 CD1 LEU A 18 -16.428 28.376 -1.943 1.00 0.00 C ATOM 282 CD2 LEU A 18 -15.236 30.110 -0.598 1.00 0.00 C ATOM 0 H LEU A 18 -14.426 27.649 -3.167 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.490 25.866 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -14.788 27.667 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.292 28.066 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 18 -14.465 29.139 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -16.936 29.162 -2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.304 27.500 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.023 28.108 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -15.751 30.892 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -15.825 29.842 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -14.259 30.475 -0.281 1.00 0.00 H new ATOM 294 N SER A 19 -16.692 25.657 -1.761 1.00 0.00 N ATOM 295 CA SER A 19 -17.891 24.901 -1.403 1.00 0.00 C ATOM 296 C SER A 19 -17.634 23.407 -1.578 1.00 0.00 C ATOM 297 O SER A 19 -17.726 22.625 -0.625 1.00 0.00 O ATOM 298 CB SER A 19 -19.065 25.330 -2.286 1.00 0.00 C ATOM 299 OG SER A 19 -20.247 24.674 -1.847 1.00 0.00 O ATOM 0 H SER A 19 -16.768 26.191 -2.627 1.00 0.00 H new ATOM 0 HA SER A 19 -18.137 25.103 -0.361 1.00 0.00 H new ATOM 0 HB2 SER A 19 -19.196 26.411 -2.237 1.00 0.00 H new ATOM 0 HB3 SER A 19 -18.862 25.080 -3.327 1.00 0.00 H new ATOM 0 HG SER A 19 -21.001 24.948 -2.409 1.00 0.00 H new ATOM 305 N HIS A 20 -17.276 23.028 -2.803 1.00 0.00 N ATOM 306 CA HIS A 20 -16.969 21.638 -3.105 1.00 0.00 C ATOM 307 C HIS A 20 -15.782 21.236 -2.258 1.00 0.00 C ATOM 308 O HIS A 20 -15.697 20.118 -1.749 1.00 0.00 O ATOM 309 CB HIS A 20 -16.625 21.477 -4.592 1.00 0.00 C ATOM 310 CG HIS A 20 -17.329 22.536 -5.397 1.00 0.00 C ATOM 311 ND1 HIS A 20 -16.694 23.239 -6.409 1.00 0.00 N ATOM 312 CD2 HIS A 20 -18.603 23.045 -5.330 1.00 0.00 C ATOM 313 CE1 HIS A 20 -17.579 24.124 -6.904 1.00 0.00 C ATOM 314 NE2 HIS A 20 -18.757 24.048 -6.281 1.00 0.00 N ATOM 0 H HIS A 20 -17.193 23.663 -3.597 1.00 0.00 H new ATOM 0 HA HIS A 20 -17.831 21.007 -2.888 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -15.547 21.555 -4.736 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -16.922 20.487 -4.938 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -15.732 23.109 -6.721 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -19.369 22.716 -4.643 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -17.362 24.812 -7.708 1.00 0.00 H new ATOM 322 N CYS A 21 -14.878 22.194 -2.101 1.00 0.00 N ATOM 323 CA CYS A 21 -13.688 22.005 -1.302 1.00 0.00 C ATOM 324 C CYS A 21 -14.075 21.732 0.149 1.00 0.00 C ATOM 325 O CYS A 21 -13.500 20.861 0.800 1.00 0.00 O ATOM 326 CB CYS A 21 -12.828 23.264 -1.396 1.00 0.00 C ATOM 327 SG CYS A 21 -11.815 23.185 -2.899 1.00 0.00 S ATOM 0 H CYS A 21 -14.954 23.119 -2.525 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.122 21.150 -1.673 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -13.462 24.151 -1.417 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -12.189 23.349 -0.517 1.00 0.00 H new ATOM 332 N ARG A 22 -15.070 22.468 0.645 1.00 0.00 N ATOM 333 CA ARG A 22 -15.537 22.270 2.014 1.00 0.00 C ATOM 334 C ARG A 22 -15.971 20.820 2.179 1.00 0.00 C ATOM 335 O ARG A 22 -15.567 20.134 3.126 1.00 0.00 O ATOM 336 CB ARG A 22 -16.713 23.205 2.317 1.00 0.00 C ATOM 337 CG ARG A 22 -17.069 23.124 3.806 1.00 0.00 C ATOM 338 CD ARG A 22 -15.964 23.785 4.637 1.00 0.00 C ATOM 339 NE ARG A 22 -15.106 22.767 5.236 1.00 0.00 N ATOM 340 CZ ARG A 22 -14.124 23.095 6.072 1.00 0.00 C ATOM 341 NH1 ARG A 22 -13.917 24.345 6.383 1.00 0.00 N ATOM 342 NH2 ARG A 22 -13.368 22.165 6.585 1.00 0.00 N ATOM 0 H ARG A 22 -15.561 23.196 0.127 1.00 0.00 H new ATOM 0 HA ARG A 22 -14.730 22.498 2.710 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -16.453 24.230 2.051 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -17.576 22.927 1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.022 23.620 3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -17.189 22.083 4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.370 24.446 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.407 24.403 5.418 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.262 21.785 5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.509 25.074 5.985 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.163 24.593 7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.529 21.187 6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -12.615 22.416 7.226 1.00 0.00 H new ATOM 356 N MET A 23 -16.774 20.348 1.225 1.00 0.00 N ATOM 357 CA MET A 23 -17.226 18.965 1.251 1.00 0.00 C ATOM 358 C MET A 23 -16.007 18.053 1.249 1.00 0.00 C ATOM 359 O MET A 23 -15.953 17.060 1.975 1.00 0.00 O ATOM 360 CB MET A 23 -18.100 18.667 0.030 1.00 0.00 C ATOM 361 CG MET A 23 -19.385 19.497 0.101 1.00 0.00 C ATOM 362 SD MET A 23 -20.465 19.058 -1.284 1.00 0.00 S ATOM 363 CE MET A 23 -21.738 20.308 -0.987 1.00 0.00 C ATOM 0 H MET A 23 -17.118 20.897 0.437 1.00 0.00 H new ATOM 0 HA MET A 23 -17.820 18.793 2.149 1.00 0.00 H new ATOM 0 HB2 MET A 23 -17.555 18.900 -0.885 1.00 0.00 H new ATOM 0 HB3 MET A 23 -18.343 17.605 -0.005 1.00 0.00 H new ATOM 0 HG2 MET A 23 -19.896 19.315 1.046 1.00 0.00 H new ATOM 0 HG3 MET A 23 -19.146 20.560 0.067 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.520 20.218 -1.741 1.00 0.00 H new ATOM 0 HE2 MET A 23 -22.170 20.160 0.003 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.293 21.301 -1.043 1.00 0.00 H new ATOM 373 N TYR A 24 -15.018 18.430 0.436 1.00 0.00 N ATOM 374 CA TYR A 24 -13.773 17.681 0.337 1.00 0.00 C ATOM 375 C TYR A 24 -13.140 17.537 1.719 1.00 0.00 C ATOM 376 O TYR A 24 -12.683 16.460 2.084 1.00 0.00 O ATOM 377 CB TYR A 24 -12.830 18.392 -0.651 1.00 0.00 C ATOM 378 CG TYR A 24 -11.391 18.331 -0.190 1.00 0.00 C ATOM 379 CD1 TYR A 24 -10.744 17.097 -0.057 1.00 0.00 C ATOM 380 CD2 TYR A 24 -10.697 19.517 0.082 1.00 0.00 C ATOM 381 CE1 TYR A 24 -9.405 17.049 0.352 1.00 0.00 C ATOM 382 CE2 TYR A 24 -9.359 19.469 0.487 1.00 0.00 C ATOM 383 CZ TYR A 24 -8.713 18.236 0.622 1.00 0.00 C ATOM 384 OH TYR A 24 -7.393 18.192 1.014 1.00 0.00 O ATOM 0 H TYR A 24 -15.060 19.254 -0.164 1.00 0.00 H new ATOM 0 HA TYR A 24 -13.969 16.677 -0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.917 17.930 -1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -13.134 19.433 -0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.277 16.182 -0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.196 20.469 -0.021 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.907 16.097 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.825 20.384 0.695 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.218 18.913 1.654 1.00 0.00 H new ATOM 394 N MET A 25 -13.137 18.626 2.485 1.00 0.00 N ATOM 395 CA MET A 25 -12.576 18.604 3.835 1.00 0.00 C ATOM 396 C MET A 25 -13.308 17.590 4.716 1.00 0.00 C ATOM 397 O MET A 25 -12.681 16.769 5.387 1.00 0.00 O ATOM 398 CB MET A 25 -12.706 19.985 4.472 1.00 0.00 C ATOM 399 CG MET A 25 -11.864 21.002 3.696 1.00 0.00 C ATOM 400 SD MET A 25 -10.107 20.604 3.879 1.00 0.00 S ATOM 401 CE MET A 25 -9.970 20.978 5.645 1.00 0.00 C ATOM 0 H MET A 25 -13.514 19.529 2.197 1.00 0.00 H new ATOM 0 HA MET A 25 -11.527 18.319 3.758 1.00 0.00 H new ATOM 0 HB2 MET A 25 -13.751 20.295 4.478 1.00 0.00 H new ATOM 0 HB3 MET A 25 -12.379 19.947 5.511 1.00 0.00 H new ATOM 0 HG2 MET A 25 -12.142 20.990 2.642 1.00 0.00 H new ATOM 0 HG3 MET A 25 -12.059 22.009 4.066 1.00 0.00 H new ATOM 0 HE1 MET A 25 -8.945 21.268 5.877 1.00 0.00 H new ATOM 0 HE2 MET A 25 -10.644 21.796 5.897 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.238 20.095 6.226 1.00 0.00 H new ATOM 411 N ARG A 26 -14.641 17.662 4.719 1.00 0.00 N ATOM 412 CA ARG A 26 -15.441 16.744 5.534 1.00 0.00 C ATOM 413 C ARG A 26 -15.197 15.298 5.113 1.00 0.00 C ATOM 414 O ARG A 26 -14.861 14.438 5.938 1.00 0.00 O ATOM 415 CB ARG A 26 -16.929 17.080 5.389 1.00 0.00 C ATOM 416 CG ARG A 26 -17.750 16.204 6.340 1.00 0.00 C ATOM 417 CD ARG A 26 -19.240 16.498 6.152 1.00 0.00 C ATOM 418 NE ARG A 26 -20.030 15.738 7.117 1.00 0.00 N ATOM 419 CZ ARG A 26 -20.274 14.439 6.949 1.00 0.00 C ATOM 420 NH1 ARG A 26 -19.803 13.813 5.904 1.00 0.00 N ATOM 421 NH2 ARG A 26 -20.983 13.791 7.830 1.00 0.00 N ATOM 0 H ARG A 26 -15.182 18.335 4.176 1.00 0.00 H new ATOM 0 HA ARG A 26 -15.143 16.859 6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -17.097 18.133 5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -17.250 16.917 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -17.549 15.151 6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.458 16.398 7.372 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -19.426 17.565 6.278 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -19.544 16.239 5.138 1.00 0.00 H new ATOM 0 HE ARG A 26 -20.404 16.213 7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -19.247 14.319 5.214 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.991 12.819 5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -21.351 14.278 8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -21.170 12.797 7.702 1.00 0.00 H new ATOM 435 N GLN A 27 -15.344 15.040 3.819 1.00 0.00 N ATOM 436 CA GLN A 27 -15.112 13.707 3.296 1.00 0.00 C ATOM 437 C GLN A 27 -13.684 13.309 3.585 1.00 0.00 C ATOM 438 O GLN A 27 -13.388 12.141 3.818 1.00 0.00 O ATOM 439 CB GLN A 27 -15.342 13.677 1.788 1.00 0.00 C ATOM 440 CG GLN A 27 -16.791 14.059 1.475 1.00 0.00 C ATOM 441 CD GLN A 27 -16.841 14.788 0.141 1.00 0.00 C ATOM 442 OE1 GLN A 27 -17.770 14.599 -0.644 1.00 0.00 O ATOM 443 NE2 GLN A 27 -15.881 15.618 -0.159 1.00 0.00 N ATOM 0 H GLN A 27 -15.620 15.731 3.122 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.805 13.013 3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.659 14.368 1.293 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -15.126 12.682 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.415 13.166 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -17.191 14.695 2.265 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.114 15.770 0.497 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.897 16.116 -1.049 1.00 0.00 H new ATOM 452 N GLN A 28 -12.799 14.304 3.568 1.00 0.00 N ATOM 453 CA GLN A 28 -11.401 14.067 3.827 1.00 0.00 C ATOM 454 C GLN A 28 -11.229 13.593 5.263 1.00 0.00 C ATOM 455 O GLN A 28 -10.399 12.728 5.547 1.00 0.00 O ATOM 456 CB GLN A 28 -10.617 15.348 3.541 1.00 0.00 C ATOM 457 CG GLN A 28 -9.183 15.232 4.064 1.00 0.00 C ATOM 458 CD GLN A 28 -9.146 15.386 5.581 1.00 0.00 C ATOM 459 OE1 GLN A 28 -9.946 16.128 6.152 1.00 0.00 O ATOM 460 NE2 GLN A 28 -8.255 14.726 6.270 1.00 0.00 N ATOM 0 H GLN A 28 -13.036 15.277 3.377 1.00 0.00 H new ATOM 0 HA GLN A 28 -11.012 13.285 3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -10.604 15.541 2.468 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -11.113 16.197 4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.765 14.266 3.782 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.559 15.997 3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.594 14.112 5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.220 14.824 7.285 1.00 0.00 H new ATOM 469 N MET A 29 -12.052 14.139 6.160 1.00 0.00 N ATOM 470 CA MET A 29 -12.010 13.734 7.558 1.00 0.00 C ATOM 471 C MET A 29 -12.340 12.251 7.643 1.00 0.00 C ATOM 472 O MET A 29 -11.586 11.466 8.219 1.00 0.00 O ATOM 473 CB MET A 29 -13.032 14.538 8.372 1.00 0.00 C ATOM 474 CG MET A 29 -12.978 14.116 9.844 1.00 0.00 C ATOM 475 SD MET A 29 -14.415 14.785 10.722 1.00 0.00 S ATOM 476 CE MET A 29 -13.952 16.533 10.650 1.00 0.00 C ATOM 0 H MET A 29 -12.746 14.854 5.943 1.00 0.00 H new ATOM 0 HA MET A 29 -11.016 13.922 7.965 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.823 15.604 8.283 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.034 14.376 7.975 1.00 0.00 H new ATOM 0 HG2 MET A 29 -12.966 13.029 9.921 1.00 0.00 H new ATOM 0 HG3 MET A 29 -12.058 14.478 10.303 1.00 0.00 H new ATOM 0 HE1 MET A 29 -14.836 17.150 10.808 1.00 0.00 H new ATOM 0 HE2 MET A 29 -13.217 16.747 11.426 1.00 0.00 H new ATOM 0 HE3 MET A 29 -13.523 16.756 9.673 1.00 0.00 H new ATOM 486 N GLU A 30 -13.464 11.873 7.037 1.00 0.00 N ATOM 487 CA GLU A 30 -13.877 10.470 7.021 1.00 0.00 C ATOM 488 C GLU A 30 -12.877 9.642 6.212 1.00 0.00 C ATOM 489 O GLU A 30 -12.497 8.537 6.602 1.00 0.00 O ATOM 490 CB GLU A 30 -15.268 10.349 6.394 1.00 0.00 C ATOM 491 CG GLU A 30 -16.285 11.116 7.245 1.00 0.00 C ATOM 492 CD GLU A 30 -17.678 10.990 6.635 1.00 0.00 C ATOM 493 OE1 GLU A 30 -17.931 11.654 5.643 1.00 0.00 O ATOM 494 OE2 GLU A 30 -18.471 10.232 7.168 1.00 0.00 O ATOM 0 H GLU A 30 -14.099 12.510 6.556 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.907 10.096 8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.256 10.746 5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.556 9.300 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.288 10.725 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.000 12.166 7.308 1.00 0.00 H new ATOM 501 N GLU A 31 -12.467 10.205 5.078 1.00 0.00 N ATOM 502 CA GLU A 31 -11.515 9.564 4.172 1.00 0.00 C ATOM 503 C GLU A 31 -10.123 9.473 4.801 1.00 0.00 C ATOM 504 O GLU A 31 -9.203 8.916 4.206 1.00 0.00 O ATOM 505 CB GLU A 31 -11.444 10.367 2.867 1.00 0.00 C ATOM 506 CG GLU A 31 -10.685 9.575 1.801 1.00 0.00 C ATOM 507 CD GLU A 31 -10.543 10.392 0.514 1.00 0.00 C ATOM 508 OE1 GLU A 31 -11.000 11.524 0.489 1.00 0.00 O ATOM 509 OE2 GLU A 31 -9.975 9.869 -0.430 1.00 0.00 O ATOM 0 H GLU A 31 -12.786 11.120 4.760 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.858 8.549 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.451 10.593 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.947 11.321 3.045 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.698 9.305 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.211 8.644 1.590 1.00 0.00 H new ATOM 516 N SER A 32 -9.976 10.050 5.993 1.00 0.00 N ATOM 517 CA SER A 32 -8.690 10.068 6.698 1.00 0.00 C ATOM 518 C SER A 32 -7.850 8.815 6.424 1.00 0.00 C ATOM 519 O SER A 32 -6.624 8.887 6.354 1.00 0.00 O ATOM 520 CB SER A 32 -8.937 10.179 8.203 1.00 0.00 C ATOM 521 OG SER A 32 -9.895 9.206 8.597 1.00 0.00 O ATOM 0 H SER A 32 -10.734 10.514 6.494 1.00 0.00 H new ATOM 0 HA SER A 32 -8.132 10.929 6.329 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.005 10.029 8.748 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.294 11.178 8.451 1.00 0.00 H new ATOM 0 HG SER A 32 -10.787 9.612 8.611 1.00 0.00 H new ATOM 527 N THR A 33 -8.513 7.677 6.292 1.00 0.00 N ATOM 528 CA THR A 33 -7.819 6.412 6.047 1.00 0.00 C ATOM 529 C THR A 33 -7.127 6.365 4.675 1.00 0.00 C ATOM 530 O THR A 33 -5.903 6.261 4.594 1.00 0.00 O ATOM 531 CB THR A 33 -8.819 5.254 6.152 1.00 0.00 C ATOM 532 OG1 THR A 33 -9.479 5.315 7.409 1.00 0.00 O ATOM 533 CG2 THR A 33 -8.083 3.918 6.025 1.00 0.00 C ATOM 0 H THR A 33 -9.528 7.598 6.349 1.00 0.00 H new ATOM 0 HA THR A 33 -7.040 6.321 6.804 1.00 0.00 H new ATOM 0 HB THR A 33 -9.551 5.336 5.349 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.120 4.577 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.799 3.100 6.100 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.578 3.871 5.060 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.347 3.831 6.824 1.00 0.00 H new ATOM 541 N TYR A 34 -7.926 6.399 3.605 1.00 0.00 N ATOM 542 CA TYR A 34 -7.399 6.314 2.236 1.00 0.00 C ATOM 543 C TYR A 34 -7.247 7.680 1.558 1.00 0.00 C ATOM 544 O TYR A 34 -6.994 7.745 0.355 1.00 0.00 O ATOM 545 CB TYR A 34 -8.254 5.361 1.384 1.00 0.00 C ATOM 546 CG TYR A 34 -9.632 5.929 1.121 1.00 0.00 C ATOM 547 CD1 TYR A 34 -10.648 5.770 2.071 1.00 0.00 C ATOM 548 CD2 TYR A 34 -9.901 6.581 -0.090 1.00 0.00 C ATOM 549 CE1 TYR A 34 -11.931 6.268 1.815 1.00 0.00 C ATOM 550 CE2 TYR A 34 -11.187 7.073 -0.349 1.00 0.00 C ATOM 551 CZ TYR A 34 -12.201 6.918 0.604 1.00 0.00 C ATOM 552 OH TYR A 34 -13.467 7.404 0.350 1.00 0.00 O ATOM 0 H TYR A 34 -8.941 6.485 3.658 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.391 5.907 2.316 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.752 5.171 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.347 4.402 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.442 5.263 3.002 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.118 6.704 -0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -12.713 6.151 2.551 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -11.396 7.572 -1.284 1.00 0.00 H new ATOM 0 HH TYR A 34 -13.484 7.827 -0.534 1.00 0.00 H new ATOM 562 N GLN A 35 -7.432 8.758 2.324 1.00 0.00 N ATOM 563 CA GLN A 35 -7.338 10.127 1.789 1.00 0.00 C ATOM 564 C GLN A 35 -6.319 10.271 0.664 1.00 0.00 C ATOM 565 O GLN A 35 -6.475 11.133 -0.202 1.00 0.00 O ATOM 566 CB GLN A 35 -6.950 11.095 2.887 1.00 0.00 C ATOM 567 CG GLN A 35 -5.616 10.676 3.511 1.00 0.00 C ATOM 568 CD GLN A 35 -5.618 11.061 4.977 1.00 0.00 C ATOM 569 OE1 GLN A 35 -4.734 10.659 5.734 1.00 0.00 O ATOM 570 NE2 GLN A 35 -6.568 11.832 5.418 1.00 0.00 N ATOM 0 H GLN A 35 -7.648 8.713 3.320 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.326 10.352 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.870 12.104 2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.726 11.120 3.652 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.471 9.601 3.404 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.789 11.163 2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.295 12.159 4.782 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.586 12.109 6.399 1.00 0.00 H new ATOM 579 N THR A 36 -5.273 9.448 0.675 1.00 0.00 N ATOM 580 CA THR A 36 -4.257 9.544 -0.364 1.00 0.00 C ATOM 581 C THR A 36 -4.911 9.374 -1.730 1.00 0.00 C ATOM 582 O THR A 36 -5.361 8.285 -2.089 1.00 0.00 O ATOM 583 CB THR A 36 -3.189 8.465 -0.157 1.00 0.00 C ATOM 584 OG1 THR A 36 -2.686 8.549 1.169 1.00 0.00 O ATOM 585 CG2 THR A 36 -2.043 8.675 -1.152 1.00 0.00 C ATOM 0 H THR A 36 -5.110 8.724 1.375 1.00 0.00 H new ATOM 0 HA THR A 36 -3.780 10.523 -0.311 1.00 0.00 H new ATOM 0 HB THR A 36 -3.631 7.482 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.004 7.859 1.304 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.285 7.906 -1.002 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.428 8.611 -2.170 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.599 9.658 -0.993 1.00 0.00 H new ATOM 593 N MET A 37 -4.974 10.475 -2.473 1.00 0.00 N ATOM 594 CA MET A 37 -5.591 10.475 -3.797 1.00 0.00 C ATOM 595 C MET A 37 -4.886 9.501 -4.739 1.00 0.00 C ATOM 596 O MET A 37 -3.720 9.697 -5.086 1.00 0.00 O ATOM 597 CB MET A 37 -5.538 11.884 -4.400 1.00 0.00 C ATOM 598 CG MET A 37 -5.809 12.929 -3.313 1.00 0.00 C ATOM 599 SD MET A 37 -6.571 14.392 -4.060 1.00 0.00 S ATOM 600 CE MET A 37 -5.055 15.150 -4.694 1.00 0.00 C ATOM 0 H MET A 37 -4.605 11.380 -2.181 1.00 0.00 H new ATOM 0 HA MET A 37 -6.627 10.158 -3.680 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.561 12.060 -4.850 1.00 0.00 H new ATOM 0 HB3 MET A 37 -6.276 11.976 -5.197 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.466 12.513 -2.549 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.878 13.204 -2.817 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.300 16.083 -5.202 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.377 15.354 -3.866 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.575 14.470 -5.397 1.00 0.00 H new ATOM 610 N PRO A 38 -5.573 8.471 -5.170 1.00 0.00 N ATOM 611 CA PRO A 38 -5.010 7.464 -6.108 1.00 0.00 C ATOM 612 C PRO A 38 -5.148 7.919 -7.557 1.00 0.00 C ATOM 613 O PRO A 38 -6.146 8.544 -7.923 1.00 0.00 O ATOM 614 CB PRO A 38 -5.866 6.230 -5.839 1.00 0.00 C ATOM 615 CG PRO A 38 -7.204 6.769 -5.448 1.00 0.00 C ATOM 616 CD PRO A 38 -6.966 8.147 -4.814 1.00 0.00 C ATOM 0 HA PRO A 38 -3.944 7.291 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -5.938 5.598 -6.724 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.439 5.618 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.855 6.852 -6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.698 6.100 -4.743 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.661 8.891 -5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.105 8.118 -3.733 1.00 0.00 H new ATOM 624 N ARG A 39 -4.152 7.606 -8.378 1.00 0.00 N ATOM 625 CA ARG A 39 -4.194 7.995 -9.785 1.00 0.00 C ATOM 626 C ARG A 39 -5.384 7.347 -10.462 1.00 0.00 C ATOM 627 O ARG A 39 -6.045 7.958 -11.303 1.00 0.00 O ATOM 628 CB ARG A 39 -2.938 7.529 -10.511 1.00 0.00 C ATOM 629 CG ARG A 39 -1.691 8.006 -9.759 1.00 0.00 C ATOM 630 CD ARG A 39 -0.438 7.643 -10.560 1.00 0.00 C ATOM 631 NE ARG A 39 -0.367 8.443 -11.781 1.00 0.00 N ATOM 632 CZ ARG A 39 0.025 9.715 -11.757 1.00 0.00 C ATOM 633 NH1 ARG A 39 0.356 10.282 -10.627 1.00 0.00 N ATOM 634 NH2 ARG A 39 0.077 10.401 -12.866 1.00 0.00 N ATOM 0 H ARG A 39 -3.316 7.091 -8.100 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.267 9.082 -9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.934 6.442 -10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.930 7.919 -11.529 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.737 9.084 -9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.650 7.545 -8.772 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.452 7.813 -9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.454 6.583 -10.812 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.624 8.017 -12.672 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.315 9.750 -9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.656 11.257 -10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.183 9.962 -13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.377 11.376 -12.849 1.00 0.00 H new ATOM 648 N ARG A 40 -5.642 6.094 -10.094 1.00 0.00 N ATOM 649 CA ARG A 40 -6.748 5.363 -10.682 1.00 0.00 C ATOM 650 C ARG A 40 -8.064 5.956 -10.227 1.00 0.00 C ATOM 651 O ARG A 40 -8.544 5.695 -9.123 1.00 0.00 O ATOM 652 CB ARG A 40 -6.674 3.887 -10.293 1.00 0.00 C ATOM 653 CG ARG A 40 -5.436 3.256 -10.931 1.00 0.00 C ATOM 654 CD ARG A 40 -5.634 3.133 -12.444 1.00 0.00 C ATOM 655 NE ARG A 40 -4.513 2.411 -13.042 1.00 0.00 N ATOM 656 CZ ARG A 40 -4.334 2.377 -14.360 1.00 0.00 C ATOM 657 NH1 ARG A 40 -5.169 2.991 -15.153 1.00 0.00 N ATOM 658 NH2 ARG A 40 -3.321 1.726 -14.863 1.00 0.00 N ATOM 0 H ARG A 40 -5.105 5.574 -9.400 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.682 5.442 -11.767 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.629 3.787 -9.209 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.573 3.367 -10.624 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.557 3.865 -10.719 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.255 2.272 -10.498 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.567 2.610 -12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.717 4.124 -12.889 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.854 1.923 -12.436 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.963 3.500 -14.763 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.028 2.962 -16.163 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.667 1.244 -14.246 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.183 1.699 -15.873 1.00 0.00 H new ATOM 672 N GLY A 41 -8.628 6.759 -11.107 1.00 0.00 N ATOM 673 CA GLY A 41 -9.904 7.419 -10.840 1.00 0.00 C ATOM 674 C GLY A 41 -9.847 8.229 -9.548 1.00 0.00 C ATOM 675 O GLY A 41 -10.296 7.770 -8.496 1.00 0.00 O ATOM 0 H GLY A 41 -8.226 6.975 -12.019 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.158 8.075 -11.673 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.695 6.672 -10.769 1.00 0.00 H new ATOM 679 N MET A 42 -9.292 9.437 -9.635 1.00 0.00 N ATOM 680 CA MET A 42 -9.178 10.313 -8.468 1.00 0.00 C ATOM 681 C MET A 42 -10.552 10.579 -7.852 1.00 0.00 C ATOM 682 O MET A 42 -11.581 10.230 -8.432 1.00 0.00 O ATOM 683 CB MET A 42 -8.532 11.640 -8.874 1.00 0.00 C ATOM 684 CG MET A 42 -7.095 11.390 -9.343 1.00 0.00 C ATOM 685 SD MET A 42 -6.270 12.972 -9.649 1.00 0.00 S ATOM 686 CE MET A 42 -7.372 13.567 -10.956 1.00 0.00 C ATOM 0 H MET A 42 -8.915 9.831 -10.497 1.00 0.00 H new ATOM 0 HA MET A 42 -8.554 9.815 -7.726 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.109 12.108 -9.671 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.535 12.331 -8.031 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.549 10.824 -8.588 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.098 10.789 -10.252 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.803 14.165 -11.668 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.818 12.716 -11.471 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.160 14.179 -10.517 1.00 0.00 H new ATOM 696 N GLU A 43 -10.557 11.198 -6.673 1.00 0.00 N ATOM 697 CA GLU A 43 -11.806 11.505 -5.982 1.00 0.00 C ATOM 698 C GLU A 43 -12.579 12.590 -6.734 1.00 0.00 C ATOM 699 O GLU A 43 -12.089 13.708 -6.898 1.00 0.00 O ATOM 700 CB GLU A 43 -11.507 11.983 -4.556 1.00 0.00 C ATOM 701 CG GLU A 43 -10.780 10.877 -3.779 1.00 0.00 C ATOM 702 CD GLU A 43 -9.284 11.180 -3.696 1.00 0.00 C ATOM 703 OE1 GLU A 43 -8.679 11.378 -4.736 1.00 0.00 O ATOM 704 OE2 GLU A 43 -8.765 11.207 -2.592 1.00 0.00 O ATOM 0 H GLU A 43 -9.715 11.495 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.414 10.601 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.893 12.883 -4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.435 12.247 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.197 10.794 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.936 9.916 -4.269 1.00 0.00 H new ATOM 711 N PRO A 44 -13.768 12.279 -7.199 1.00 0.00 N ATOM 712 CA PRO A 44 -14.617 13.248 -7.956 1.00 0.00 C ATOM 713 C PRO A 44 -14.918 14.512 -7.154 1.00 0.00 C ATOM 714 O PRO A 44 -14.884 15.618 -7.693 1.00 0.00 O ATOM 715 CB PRO A 44 -15.909 12.474 -8.248 1.00 0.00 C ATOM 716 CG PRO A 44 -15.573 11.031 -8.064 1.00 0.00 C ATOM 717 CD PRO A 44 -14.431 10.973 -7.054 1.00 0.00 C ATOM 0 HA PRO A 44 -14.112 13.596 -8.857 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -16.708 12.778 -7.572 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.259 12.667 -9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.438 10.475 -7.703 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.276 10.579 -9.010 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.801 10.823 -6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.748 10.151 -7.269 1.00 0.00 H new ATOM 725 N HIS A 45 -15.213 14.341 -5.867 1.00 0.00 N ATOM 726 CA HIS A 45 -15.521 15.480 -5.005 1.00 0.00 C ATOM 727 C HIS A 45 -14.406 16.518 -5.075 1.00 0.00 C ATOM 728 O HIS A 45 -14.664 17.713 -5.228 1.00 0.00 O ATOM 729 CB HIS A 45 -15.694 15.010 -3.560 1.00 0.00 C ATOM 730 CG HIS A 45 -16.830 14.028 -3.487 1.00 0.00 C ATOM 731 ND1 HIS A 45 -16.621 12.668 -3.329 1.00 0.00 N ATOM 732 CD2 HIS A 45 -18.192 14.193 -3.560 1.00 0.00 C ATOM 733 CE1 HIS A 45 -17.826 12.071 -3.311 1.00 0.00 C ATOM 734 NE2 HIS A 45 -18.818 12.955 -3.448 1.00 0.00 N ATOM 0 H HIS A 45 -15.245 13.434 -5.401 1.00 0.00 H new ATOM 0 HA HIS A 45 -16.449 15.935 -5.351 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -14.774 14.546 -3.204 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -15.893 15.862 -2.910 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -18.699 15.138 -3.685 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -17.974 11.007 -3.199 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -19.820 12.764 -3.467 1.00 0.00 H new ATOM 742 N MET A 46 -13.166 16.049 -4.971 1.00 0.00 N ATOM 743 CA MET A 46 -12.011 16.938 -5.033 1.00 0.00 C ATOM 744 C MET A 46 -11.914 17.574 -6.418 1.00 0.00 C ATOM 745 O MET A 46 -11.566 18.748 -6.554 1.00 0.00 O ATOM 746 CB MET A 46 -10.733 16.145 -4.740 1.00 0.00 C ATOM 747 CG MET A 46 -10.799 15.563 -3.325 1.00 0.00 C ATOM 748 SD MET A 46 -9.243 14.721 -2.945 1.00 0.00 S ATOM 749 CE MET A 46 -9.801 13.851 -1.459 1.00 0.00 C ATOM 0 H MET A 46 -12.936 15.063 -4.844 1.00 0.00 H new ATOM 0 HA MET A 46 -12.128 17.725 -4.288 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.616 15.343 -5.468 1.00 0.00 H new ATOM 0 HB3 MET A 46 -9.862 16.793 -4.837 1.00 0.00 H new ATOM 0 HG2 MET A 46 -10.981 16.358 -2.602 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.632 14.864 -3.246 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.936 13.542 -0.872 1.00 0.00 H new ATOM 0 HE2 MET A 46 -10.426 14.515 -0.862 1.00 0.00 H new ATOM 0 HE3 MET A 46 -10.377 12.972 -1.747 1.00 0.00 H new ATOM 759 N SER A 47 -12.224 16.778 -7.441 1.00 0.00 N ATOM 760 CA SER A 47 -12.175 17.242 -8.825 1.00 0.00 C ATOM 761 C SER A 47 -13.096 18.441 -9.049 1.00 0.00 C ATOM 762 O SER A 47 -12.831 19.279 -9.911 1.00 0.00 O ATOM 763 CB SER A 47 -12.578 16.107 -9.768 1.00 0.00 C ATOM 764 OG SER A 47 -12.312 16.495 -11.110 1.00 0.00 O ATOM 0 H SER A 47 -12.513 15.805 -7.335 1.00 0.00 H new ATOM 0 HA SER A 47 -11.152 17.555 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 47 -12.024 15.201 -9.523 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.636 15.876 -9.647 1.00 0.00 H new ATOM 0 HG SER A 47 -12.568 15.769 -11.717 1.00 0.00 H new ATOM 770 N GLU A 48 -14.184 18.511 -8.285 1.00 0.00 N ATOM 771 CA GLU A 48 -15.138 19.609 -8.434 1.00 0.00 C ATOM 772 C GLU A 48 -14.447 20.959 -8.245 1.00 0.00 C ATOM 773 O GLU A 48 -14.734 21.915 -8.967 1.00 0.00 O ATOM 774 CB GLU A 48 -16.270 19.459 -7.412 1.00 0.00 C ATOM 775 CG GLU A 48 -17.059 18.177 -7.709 1.00 0.00 C ATOM 776 CD GLU A 48 -18.231 18.020 -6.735 1.00 0.00 C ATOM 777 OE1 GLU A 48 -18.282 18.754 -5.762 1.00 0.00 O ATOM 778 OE2 GLU A 48 -19.061 17.161 -6.980 1.00 0.00 O ATOM 0 H GLU A 48 -14.426 17.830 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.551 19.570 -9.442 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -15.861 19.421 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.931 20.324 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.432 18.204 -8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -16.399 17.313 -7.633 1.00 0.00 H new ATOM 785 N CYS A 49 -13.528 21.025 -7.285 1.00 0.00 N ATOM 786 CA CYS A 49 -12.794 22.261 -7.027 1.00 0.00 C ATOM 787 C CYS A 49 -11.863 22.589 -8.199 1.00 0.00 C ATOM 788 O CYS A 49 -11.623 23.756 -8.502 1.00 0.00 O ATOM 789 CB CYS A 49 -11.970 22.130 -5.739 1.00 0.00 C ATOM 790 SG CYS A 49 -13.037 22.376 -4.297 1.00 0.00 S ATOM 0 H CYS A 49 -13.275 20.245 -6.678 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.517 23.069 -6.912 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.504 21.146 -5.694 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.165 22.864 -5.736 1.00 0.00 H new ATOM 795 N CYS A 50 -11.334 21.544 -8.836 1.00 0.00 N ATOM 796 CA CYS A 50 -10.407 21.703 -9.963 1.00 0.00 C ATOM 797 C CYS A 50 -10.962 22.610 -11.062 1.00 0.00 C ATOM 798 O CYS A 50 -10.227 23.411 -11.637 1.00 0.00 O ATOM 799 CB CYS A 50 -10.093 20.334 -10.570 1.00 0.00 C ATOM 800 SG CYS A 50 -8.806 20.510 -11.831 1.00 0.00 S ATOM 0 H CYS A 50 -11.531 20.574 -8.591 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.506 22.171 -9.566 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -9.762 19.647 -9.791 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -10.993 19.906 -11.012 1.00 0.00 H new ATOM 805 N GLU A 51 -12.245 22.457 -11.371 1.00 0.00 N ATOM 806 CA GLU A 51 -12.865 23.249 -12.432 1.00 0.00 C ATOM 807 C GLU A 51 -12.722 24.751 -12.182 1.00 0.00 C ATOM 808 O GLU A 51 -12.543 25.525 -13.123 1.00 0.00 O ATOM 809 CB GLU A 51 -14.349 22.885 -12.550 1.00 0.00 C ATOM 810 CG GLU A 51 -14.953 23.567 -13.785 1.00 0.00 C ATOM 811 CD GLU A 51 -14.314 23.025 -15.067 1.00 0.00 C ATOM 812 OE1 GLU A 51 -13.893 21.879 -15.066 1.00 0.00 O ATOM 813 OE2 GLU A 51 -14.261 23.767 -16.034 1.00 0.00 O ATOM 0 H GLU A 51 -12.872 21.799 -10.908 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.348 23.016 -13.363 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.463 21.804 -12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.883 23.198 -11.653 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.030 23.399 -13.810 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.800 24.644 -13.723 1.00 0.00 H new ATOM 820 N GLN A 52 -12.813 25.158 -10.921 1.00 0.00 N ATOM 821 CA GLN A 52 -12.704 26.574 -10.573 1.00 0.00 C ATOM 822 C GLN A 52 -11.385 27.174 -11.051 1.00 0.00 C ATOM 823 O GLN A 52 -11.370 28.090 -11.874 1.00 0.00 O ATOM 824 CB GLN A 52 -12.814 26.742 -9.057 1.00 0.00 C ATOM 825 CG GLN A 52 -14.279 26.928 -8.683 1.00 0.00 C ATOM 826 CD GLN A 52 -15.046 25.627 -8.894 1.00 0.00 C ATOM 827 OE1 GLN A 52 -14.807 24.644 -8.192 1.00 0.00 O ATOM 828 NE2 GLN A 52 -15.956 25.559 -9.826 1.00 0.00 N ATOM 0 H GLN A 52 -12.961 24.535 -10.127 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.517 27.101 -11.072 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -12.404 25.868 -8.551 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -12.230 27.602 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -14.359 27.241 -7.642 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -14.719 27.720 -9.289 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -16.153 26.374 -10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -16.471 24.691 -9.974 1.00 0.00 H new ATOM 837 N LEU A 53 -10.287 26.651 -10.523 1.00 0.00 N ATOM 838 CA LEU A 53 -8.955 27.133 -10.883 1.00 0.00 C ATOM 839 C LEU A 53 -8.763 27.007 -12.375 1.00 0.00 C ATOM 840 O LEU A 53 -8.352 27.943 -13.062 1.00 0.00 O ATOM 841 CB LEU A 53 -7.890 26.270 -10.201 1.00 0.00 C ATOM 842 CG LEU A 53 -8.319 25.857 -8.780 1.00 0.00 C ATOM 843 CD1 LEU A 53 -9.328 26.855 -8.174 1.00 0.00 C ATOM 844 CD2 LEU A 53 -8.954 24.467 -8.860 1.00 0.00 C ATOM 0 H LEU A 53 -10.290 25.891 -9.842 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.861 28.172 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.706 25.378 -10.800 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.951 26.821 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.441 25.850 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.606 26.528 -7.172 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.874 27.844 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.218 26.898 -8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.267 24.152 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.822 24.501 -9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.227 23.757 -9.254 1.00 0.00 H new ATOM 856 N GLU A 54 -9.078 25.820 -12.843 1.00 0.00 N ATOM 857 CA GLU A 54 -8.979 25.471 -14.238 1.00 0.00 C ATOM 858 C GLU A 54 -9.717 26.486 -15.115 1.00 0.00 C ATOM 859 O GLU A 54 -9.321 26.736 -16.253 1.00 0.00 O ATOM 860 CB GLU A 54 -9.551 24.068 -14.383 1.00 0.00 C ATOM 861 CG GLU A 54 -9.546 23.629 -15.853 1.00 0.00 C ATOM 862 CD GLU A 54 -10.235 22.271 -16.011 1.00 0.00 C ATOM 863 OE1 GLU A 54 -10.748 21.758 -15.027 1.00 0.00 O ATOM 864 OE2 GLU A 54 -10.243 21.764 -17.120 1.00 0.00 O ATOM 0 H GLU A 54 -9.415 25.059 -12.253 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.942 25.490 -14.573 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.965 23.368 -13.787 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.569 24.043 -13.994 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.056 24.375 -16.463 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.520 23.567 -16.216 1.00 0.00 H new ATOM 871 N GLY A 55 -10.780 27.075 -14.570 1.00 0.00 N ATOM 872 CA GLY A 55 -11.557 28.072 -15.303 1.00 0.00 C ATOM 873 C GLY A 55 -11.138 29.493 -14.919 1.00 0.00 C ATOM 874 O GLY A 55 -11.559 30.465 -15.548 1.00 0.00 O ATOM 0 H GLY A 55 -11.121 26.880 -13.629 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.421 27.927 -16.375 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.618 27.934 -15.095 1.00 0.00 H new ATOM 878 N MET A 56 -10.313 29.604 -13.877 1.00 0.00 N ATOM 879 CA MET A 56 -9.844 30.908 -13.403 1.00 0.00 C ATOM 880 C MET A 56 -8.598 31.361 -14.164 1.00 0.00 C ATOM 881 O MET A 56 -7.794 30.541 -14.607 1.00 0.00 O ATOM 882 CB MET A 56 -9.530 30.834 -11.906 1.00 0.00 C ATOM 883 CG MET A 56 -8.862 32.136 -11.452 1.00 0.00 C ATOM 884 SD MET A 56 -8.604 32.095 -9.663 1.00 0.00 S ATOM 885 CE MET A 56 -10.329 32.361 -9.194 1.00 0.00 C ATOM 0 H MET A 56 -9.956 28.810 -13.346 1.00 0.00 H new ATOM 0 HA MET A 56 -10.636 31.635 -13.580 1.00 0.00 H new ATOM 0 HB2 MET A 56 -10.447 30.668 -11.340 1.00 0.00 H new ATOM 0 HB3 MET A 56 -8.873 29.988 -11.704 1.00 0.00 H new ATOM 0 HG2 MET A 56 -7.908 32.265 -11.964 1.00 0.00 H new ATOM 0 HG3 MET A 56 -9.486 32.989 -11.720 1.00 0.00 H new ATOM 0 HE1 MET A 56 -10.388 32.568 -8.125 1.00 0.00 H new ATOM 0 HE2 MET A 56 -10.731 33.208 -9.750 1.00 0.00 H new ATOM 0 HE3 MET A 56 -10.910 31.468 -9.423 1.00 0.00 H new ATOM 895 N ASP A 57 -8.447 32.682 -14.295 1.00 0.00 N ATOM 896 CA ASP A 57 -7.291 33.253 -14.988 1.00 0.00 C ATOM 897 C ASP A 57 -5.990 32.743 -14.369 1.00 0.00 C ATOM 898 O ASP A 57 -5.929 32.470 -13.171 1.00 0.00 O ATOM 899 CB ASP A 57 -7.334 34.784 -14.914 1.00 0.00 C ATOM 900 CG ASP A 57 -8.525 35.332 -15.704 1.00 0.00 C ATOM 901 OD1 ASP A 57 -9.179 34.557 -16.385 1.00 0.00 O ATOM 902 OD2 ASP A 57 -8.764 36.525 -15.618 1.00 0.00 O ATOM 0 H ASP A 57 -9.106 33.371 -13.933 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.329 32.943 -16.032 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.405 35.101 -13.873 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.407 35.198 -15.311 1.00 0.00 H new ATOM 907 N GLU A 58 -4.957 32.607 -15.196 1.00 0.00 N ATOM 908 CA GLU A 58 -3.664 32.115 -14.723 1.00 0.00 C ATOM 909 C GLU A 58 -3.130 32.933 -13.548 1.00 0.00 C ATOM 910 O GLU A 58 -2.874 32.392 -12.472 1.00 0.00 O ATOM 911 CB GLU A 58 -2.648 32.169 -15.863 1.00 0.00 C ATOM 912 CG GLU A 58 -1.255 31.874 -15.306 1.00 0.00 C ATOM 913 CD GLU A 58 -0.206 31.994 -16.408 1.00 0.00 C ATOM 914 OE1 GLU A 58 -0.345 31.314 -17.411 1.00 0.00 O ATOM 915 OE2 GLU A 58 0.723 32.767 -16.232 1.00 0.00 O ATOM 0 H GLU A 58 -4.988 32.829 -16.191 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.811 31.090 -14.383 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.907 31.442 -16.632 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.664 33.151 -16.335 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.025 32.569 -14.498 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.231 30.871 -14.880 1.00 0.00 H new ATOM 922 N SER A 59 -2.951 34.232 -13.764 1.00 0.00 N ATOM 923 CA SER A 59 -2.432 35.107 -12.716 1.00 0.00 C ATOM 924 C SER A 59 -3.312 35.034 -11.476 1.00 0.00 C ATOM 925 O SER A 59 -2.829 35.117 -10.348 1.00 0.00 O ATOM 926 CB SER A 59 -2.375 36.549 -13.221 1.00 0.00 C ATOM 927 OG SER A 59 -1.561 36.606 -14.385 1.00 0.00 O ATOM 0 H SER A 59 -3.155 34.700 -14.647 1.00 0.00 H new ATOM 0 HA SER A 59 -1.427 34.775 -12.454 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.379 36.907 -13.447 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.970 37.202 -12.448 1.00 0.00 H new ATOM 0 HG SER A 59 -1.523 37.529 -14.713 1.00 0.00 H new ATOM 933 N CYS A 60 -4.606 34.880 -11.708 1.00 0.00 N ATOM 934 CA CYS A 60 -5.576 34.796 -10.619 1.00 0.00 C ATOM 935 C CYS A 60 -5.497 33.445 -9.918 1.00 0.00 C ATOM 936 O CYS A 60 -5.869 33.317 -8.751 1.00 0.00 O ATOM 937 CB CYS A 60 -6.986 35.016 -11.165 1.00 0.00 C ATOM 938 SG CYS A 60 -7.063 36.626 -11.987 1.00 0.00 S ATOM 0 H CYS A 60 -5.013 34.810 -12.641 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.341 35.572 -9.891 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.244 34.223 -11.867 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.713 34.973 -10.354 1.00 0.00 H new ATOM 943 N ARG A 61 -5.032 32.438 -10.649 1.00 0.00 N ATOM 944 CA ARG A 61 -4.929 31.089 -10.107 1.00 0.00 C ATOM 945 C ARG A 61 -3.953 31.033 -8.933 1.00 0.00 C ATOM 946 O ARG A 61 -4.216 30.360 -7.938 1.00 0.00 O ATOM 947 CB ARG A 61 -4.458 30.130 -11.205 1.00 0.00 C ATOM 948 CG ARG A 61 -4.545 28.682 -10.711 1.00 0.00 C ATOM 949 CD ARG A 61 -3.913 27.752 -11.749 1.00 0.00 C ATOM 950 NE ARG A 61 -4.557 27.932 -13.048 1.00 0.00 N ATOM 951 CZ ARG A 61 -5.536 27.129 -13.462 1.00 0.00 C ATOM 952 NH1 ARG A 61 -5.944 26.141 -12.712 1.00 0.00 N ATOM 953 NH2 ARG A 61 -6.089 27.334 -14.625 1.00 0.00 N ATOM 0 H ARG A 61 -4.721 32.530 -11.616 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.914 30.793 -9.747 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.072 30.256 -12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.432 30.365 -11.489 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.031 28.581 -9.755 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.586 28.405 -10.544 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.846 27.960 -11.832 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.012 26.715 -11.427 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.249 28.693 -13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.513 25.980 -11.802 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.694 25.531 -13.036 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.771 28.106 -15.212 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.839 26.723 -14.948 1.00 0.00 H new ATOM 967 N CYS A 62 -2.826 31.733 -9.055 1.00 0.00 N ATOM 968 CA CYS A 62 -1.827 31.731 -7.988 1.00 0.00 C ATOM 969 C CYS A 62 -2.441 32.212 -6.672 1.00 0.00 C ATOM 970 O CYS A 62 -2.453 31.485 -5.678 1.00 0.00 O ATOM 971 CB CYS A 62 -0.641 32.637 -8.362 1.00 0.00 C ATOM 972 SG CYS A 62 -0.682 33.026 -10.134 1.00 0.00 S ATOM 0 H CYS A 62 -2.584 32.300 -9.868 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.472 30.708 -7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.680 33.557 -7.779 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.297 32.141 -8.113 1.00 0.00 H new ATOM 977 N GLU A 63 -2.954 33.439 -6.683 1.00 0.00 N ATOM 978 CA GLU A 63 -3.575 34.029 -5.499 1.00 0.00 C ATOM 979 C GLU A 63 -4.764 33.201 -5.013 1.00 0.00 C ATOM 980 O GLU A 63 -5.001 33.087 -3.809 1.00 0.00 O ATOM 981 CB GLU A 63 -4.044 35.452 -5.821 1.00 0.00 C ATOM 982 CG GLU A 63 -4.587 36.125 -4.554 1.00 0.00 C ATOM 983 CD GLU A 63 -5.148 37.513 -4.879 1.00 0.00 C ATOM 984 OE1 GLU A 63 -5.132 37.891 -6.040 1.00 0.00 O ATOM 985 OE2 GLU A 63 -5.586 38.180 -3.956 1.00 0.00 O ATOM 0 H GLU A 63 -2.952 34.047 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.829 34.048 -4.704 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.216 36.034 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.818 35.424 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.368 35.505 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.792 36.212 -3.813 1.00 0.00 H new ATOM 992 N GLY A 64 -5.523 32.656 -5.959 1.00 0.00 N ATOM 993 CA GLY A 64 -6.709 31.870 -5.627 1.00 0.00 C ATOM 994 C GLY A 64 -6.404 30.741 -4.647 1.00 0.00 C ATOM 995 O GLY A 64 -7.085 30.597 -3.631 1.00 0.00 O ATOM 0 H GLY A 64 -5.340 32.743 -6.959 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -7.467 32.525 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.131 31.450 -6.540 1.00 0.00 H new ATOM 999 N LEU A 65 -5.395 29.933 -4.961 1.00 0.00 N ATOM 1000 CA LEU A 65 -5.036 28.812 -4.096 1.00 0.00 C ATOM 1001 C LEU A 65 -4.723 29.280 -2.676 1.00 0.00 C ATOM 1002 O LEU A 65 -5.288 28.765 -1.710 1.00 0.00 O ATOM 1003 CB LEU A 65 -3.829 28.067 -4.674 1.00 0.00 C ATOM 1004 CG LEU A 65 -4.137 27.608 -6.104 1.00 0.00 C ATOM 1005 CD1 LEU A 65 -3.055 26.633 -6.576 1.00 0.00 C ATOM 1006 CD2 LEU A 65 -5.506 26.914 -6.146 1.00 0.00 C ATOM 0 H LEU A 65 -4.818 30.031 -5.796 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.892 28.139 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.954 28.717 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.589 27.206 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.155 28.477 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.276 26.308 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.085 27.129 -6.557 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.033 25.766 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.719 26.590 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.495 26.048 -5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.277 27.611 -5.818 1.00 0.00 H new ATOM 1018 N ARG A 66 -3.826 30.256 -2.554 1.00 0.00 N ATOM 1019 CA ARG A 66 -3.456 30.778 -1.240 1.00 0.00 C ATOM 1020 C ARG A 66 -4.682 31.319 -0.508 1.00 0.00 C ATOM 1021 O ARG A 66 -4.886 31.037 0.674 1.00 0.00 O ATOM 1022 CB ARG A 66 -2.414 31.892 -1.384 1.00 0.00 C ATOM 1023 CG ARG A 66 -1.033 31.284 -1.664 1.00 0.00 C ATOM 1024 CD ARG A 66 -0.841 31.094 -3.171 1.00 0.00 C ATOM 1025 NE ARG A 66 0.490 30.557 -3.443 1.00 0.00 N ATOM 1026 CZ ARG A 66 1.002 30.559 -4.671 1.00 0.00 C ATOM 1027 NH1 ARG A 66 0.315 31.044 -5.669 1.00 0.00 N ATOM 1028 NH2 ARG A 66 2.195 30.074 -4.879 1.00 0.00 N ATOM 0 H ARG A 66 -3.347 30.697 -3.339 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.031 29.959 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.696 32.563 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.380 32.490 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.253 31.935 -1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.938 30.326 -1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.601 30.417 -3.560 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.969 32.047 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 66 1.039 30.172 -2.674 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.618 31.423 -5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.711 31.044 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.734 29.694 -4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.589 30.075 -5.820 1.00 0.00 H new ATOM 1042 N MET A 67 -5.488 32.099 -1.221 1.00 0.00 N ATOM 1043 CA MET A 67 -6.692 32.684 -0.638 1.00 0.00 C ATOM 1044 C MET A 67 -7.648 31.607 -0.131 1.00 0.00 C ATOM 1045 O MET A 67 -8.093 31.650 1.017 1.00 0.00 O ATOM 1046 CB MET A 67 -7.403 33.554 -1.682 1.00 0.00 C ATOM 1047 CG MET A 67 -8.895 33.643 -1.346 1.00 0.00 C ATOM 1048 SD MET A 67 -9.666 34.965 -2.316 1.00 0.00 S ATOM 1049 CE MET A 67 -8.846 36.362 -1.507 1.00 0.00 C ATOM 0 H MET A 67 -5.331 32.340 -2.200 1.00 0.00 H new ATOM 0 HA MET A 67 -6.391 33.296 0.212 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.964 34.551 -1.699 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.269 33.129 -2.677 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.382 32.692 -1.559 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.026 33.837 -0.281 1.00 0.00 H new ATOM 0 HE1 MET A 67 -9.526 37.213 -1.473 1.00 0.00 H new ATOM 0 HE2 MET A 67 -8.565 36.081 -0.492 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.952 36.634 -2.068 1.00 0.00 H new ATOM 1059 N MET A 68 -7.971 30.655 -1.000 1.00 0.00 N ATOM 1060 CA MET A 68 -8.892 29.584 -0.638 1.00 0.00 C ATOM 1061 C MET A 68 -8.362 28.771 0.538 1.00 0.00 C ATOM 1062 O MET A 68 -9.125 28.391 1.423 1.00 0.00 O ATOM 1063 CB MET A 68 -9.105 28.649 -1.829 1.00 0.00 C ATOM 1064 CG MET A 68 -10.043 29.277 -2.870 1.00 0.00 C ATOM 1065 SD MET A 68 -10.469 30.973 -2.404 1.00 0.00 S ATOM 1066 CE MET A 68 -12.241 30.709 -2.155 1.00 0.00 C ATOM 0 H MET A 68 -7.612 30.603 -1.953 1.00 0.00 H new ATOM 0 HA MET A 68 -9.837 30.045 -0.350 1.00 0.00 H new ATOM 0 HB2 MET A 68 -8.145 28.421 -2.292 1.00 0.00 H new ATOM 0 HB3 MET A 68 -9.524 27.704 -1.482 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.563 29.273 -3.849 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.950 28.679 -2.957 1.00 0.00 H new ATOM 0 HE1 MET A 68 -12.730 31.667 -1.979 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.667 30.242 -3.043 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.395 30.059 -1.293 1.00 0.00 H new ATOM 1076 N MET A 69 -7.059 28.499 0.538 1.00 0.00 N ATOM 1077 CA MET A 69 -6.450 27.716 1.611 1.00 0.00 C ATOM 1078 C MET A 69 -6.852 28.266 2.979 1.00 0.00 C ATOM 1079 O MET A 69 -7.496 27.578 3.770 1.00 0.00 O ATOM 1080 CB MET A 69 -4.925 27.738 1.472 1.00 0.00 C ATOM 1081 CG MET A 69 -4.297 26.784 2.492 1.00 0.00 C ATOM 1082 SD MET A 69 -2.493 26.911 2.409 1.00 0.00 S ATOM 1083 CE MET A 69 -2.335 28.522 3.221 1.00 0.00 C ATOM 0 H MET A 69 -6.409 28.806 -0.186 1.00 0.00 H new ATOM 0 HA MET A 69 -6.807 26.689 1.532 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.639 27.445 0.462 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.551 28.750 1.628 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.643 27.029 3.496 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.610 25.760 2.288 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.517 28.488 3.941 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.129 29.288 2.473 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.264 28.761 3.739 1.00 0.00 H new ATOM 1093 N ARG A 70 -6.473 29.510 3.243 1.00 0.00 N ATOM 1094 CA ARG A 70 -6.802 30.151 4.513 1.00 0.00 C ATOM 1095 C ARG A 70 -8.317 30.220 4.713 1.00 0.00 C ATOM 1096 O ARG A 70 -8.819 30.002 5.817 1.00 0.00 O ATOM 1097 CB ARG A 70 -6.213 31.564 4.543 1.00 0.00 C ATOM 1098 CG ARG A 70 -6.444 32.194 5.921 1.00 0.00 C ATOM 1099 CD ARG A 70 -5.804 33.584 5.961 1.00 0.00 C ATOM 1100 NE ARG A 70 -6.519 34.495 5.071 1.00 0.00 N ATOM 1101 CZ ARG A 70 -5.998 35.665 4.711 1.00 0.00 C ATOM 1102 NH1 ARG A 70 -4.824 36.026 5.156 1.00 0.00 N ATOM 1103 NH2 ARG A 70 -6.660 36.454 3.911 1.00 0.00 N ATOM 0 H ARG A 70 -5.940 30.094 2.599 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.375 29.557 5.321 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.146 31.528 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.676 32.177 3.770 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.512 32.268 6.124 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.015 31.562 6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.822 33.971 6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.758 33.519 5.663 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.438 34.228 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.304 35.410 5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.427 36.924 4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.577 36.174 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.261 37.351 3.635 1.00 0.00 H new ATOM 1117 N MET A 71 -9.032 30.539 3.636 1.00 0.00 N ATOM 1118 CA MET A 71 -10.484 30.655 3.682 1.00 0.00 C ATOM 1119 C MET A 71 -11.137 29.318 4.013 1.00 0.00 C ATOM 1120 O MET A 71 -12.194 29.274 4.643 1.00 0.00 O ATOM 1121 CB MET A 71 -11.004 31.166 2.335 1.00 0.00 C ATOM 1122 CG MET A 71 -12.479 31.557 2.463 1.00 0.00 C ATOM 1123 SD MET A 71 -13.123 32.039 0.841 1.00 0.00 S ATOM 1124 CE MET A 71 -12.079 33.497 0.594 1.00 0.00 C ATOM 0 H MET A 71 -8.625 30.722 2.719 1.00 0.00 H new ATOM 0 HA MET A 71 -10.743 31.362 4.470 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.417 32.025 2.011 1.00 0.00 H new ATOM 0 HB3 MET A 71 -10.887 30.395 1.574 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.054 30.720 2.860 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.587 32.381 3.168 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.532 34.147 -0.155 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.983 34.039 1.535 1.00 0.00 H new ATOM 0 HE3 MET A 71 -11.092 33.184 0.253 1.00 0.00 H new ATOM 1134 N MET A 72 -10.516 28.232 3.565 1.00 0.00 N ATOM 1135 CA MET A 72 -11.070 26.906 3.802 1.00 0.00 C ATOM 1136 C MET A 72 -11.317 26.666 5.286 1.00 0.00 C ATOM 1137 O MET A 72 -12.434 26.349 5.693 1.00 0.00 O ATOM 1138 CB MET A 72 -10.118 25.829 3.276 1.00 0.00 C ATOM 1139 CG MET A 72 -10.170 25.789 1.747 1.00 0.00 C ATOM 1140 SD MET A 72 -10.510 24.095 1.205 1.00 0.00 S ATOM 1141 CE MET A 72 -12.131 23.921 1.992 1.00 0.00 C ATOM 0 H MET A 72 -9.640 28.243 3.042 1.00 0.00 H new ATOM 0 HA MET A 72 -12.021 26.850 3.272 1.00 0.00 H new ATOM 0 HB2 MET A 72 -9.101 26.037 3.609 1.00 0.00 H new ATOM 0 HB3 MET A 72 -10.394 24.857 3.683 1.00 0.00 H new ATOM 0 HG2 MET A 72 -10.944 26.463 1.380 1.00 0.00 H new ATOM 0 HG3 MET A 72 -9.224 26.134 1.330 1.00 0.00 H new ATOM 0 HE1 MET A 72 -12.579 22.973 1.696 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.014 23.944 3.075 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.777 24.741 1.679 1.00 0.00 H new ATOM 1151 N GLN A 73 -10.271 26.818 6.087 1.00 0.00 N ATOM 1152 CA GLN A 73 -10.386 26.612 7.525 1.00 0.00 C ATOM 1153 C GLN A 73 -11.415 27.564 8.122 1.00 0.00 C ATOM 1154 O GLN A 73 -12.204 27.182 8.982 1.00 0.00 O ATOM 1155 CB GLN A 73 -9.024 26.824 8.195 1.00 0.00 C ATOM 1156 CG GLN A 73 -7.977 25.927 7.527 1.00 0.00 C ATOM 1157 CD GLN A 73 -8.540 24.524 7.325 1.00 0.00 C ATOM 1158 OE1 GLN A 73 -8.717 23.777 8.287 1.00 0.00 O ATOM 1159 NE2 GLN A 73 -8.850 24.130 6.120 1.00 0.00 N ATOM 0 H GLN A 73 -9.339 27.082 5.768 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.717 25.589 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.727 27.870 8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -9.091 26.593 9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.683 26.351 6.567 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.079 25.882 8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.702 24.753 5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.241 23.199 5.972 1.00 0.00 H new ATOM 1168 N GLN A 74 -11.395 28.806 7.655 1.00 0.00 N ATOM 1169 CA GLN A 74 -12.324 29.817 8.142 1.00 0.00 C ATOM 1170 C GLN A 74 -13.779 29.429 7.869 1.00 0.00 C ATOM 1171 O GLN A 74 -14.657 29.670 8.699 1.00 0.00 O ATOM 1172 CB GLN A 74 -12.007 31.165 7.489 1.00 0.00 C ATOM 1173 CG GLN A 74 -13.221 32.089 7.609 1.00 0.00 C ATOM 1174 CD GLN A 74 -13.959 32.147 6.279 1.00 0.00 C ATOM 1175 OE1 GLN A 74 -14.685 33.105 6.010 1.00 0.00 O ATOM 1176 NE2 GLN A 74 -13.819 31.169 5.427 1.00 0.00 N ATOM 0 H GLN A 74 -10.746 29.137 6.941 1.00 0.00 H new ATOM 0 HA GLN A 74 -12.202 29.894 9.222 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -11.142 31.620 7.971 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -11.749 31.021 6.440 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.889 31.727 8.390 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.901 33.089 7.901 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -13.217 30.378 5.654 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -14.312 31.196 4.534 1.00 0.00 H new ATOM 1185 N LYS A 75 -14.032 28.848 6.701 1.00 0.00 N ATOM 1186 CA LYS A 75 -15.391 28.462 6.332 1.00 0.00 C ATOM 1187 C LYS A 75 -15.994 27.525 7.376 1.00 0.00 C ATOM 1188 O LYS A 75 -17.152 27.679 7.766 1.00 0.00 O ATOM 1189 CB LYS A 75 -15.373 27.768 4.964 1.00 0.00 C ATOM 1190 CG LYS A 75 -16.807 27.506 4.489 1.00 0.00 C ATOM 1191 CD LYS A 75 -17.433 28.811 3.988 1.00 0.00 C ATOM 1192 CE LYS A 75 -18.821 28.526 3.409 1.00 0.00 C ATOM 1193 NZ LYS A 75 -19.352 29.759 2.761 1.00 0.00 N ATOM 0 H LYS A 75 -13.323 28.635 5.999 1.00 0.00 H new ATOM 0 HA LYS A 75 -16.005 29.361 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.849 28.390 4.238 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.826 26.828 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.806 26.763 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.402 27.097 5.306 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.509 29.527 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.796 29.263 3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.764 27.716 2.682 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.496 28.198 4.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.295 29.566 2.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.421 30.520 3.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.711 30.053 1.996 1.00 0.00 H new ATOM 1207 N GLU A 76 -15.197 26.565 7.826 1.00 0.00 N ATOM 1208 CA GLU A 76 -15.652 25.607 8.833 1.00 0.00 C ATOM 1209 C GLU A 76 -14.468 24.820 9.389 1.00 0.00 C ATOM 1210 O GLU A 76 -14.300 23.640 9.079 1.00 0.00 O ATOM 1211 CB GLU A 76 -16.679 24.645 8.218 1.00 0.00 C ATOM 1212 CG GLU A 76 -17.348 23.821 9.327 1.00 0.00 C ATOM 1213 CD GLU A 76 -18.235 24.712 10.199 1.00 0.00 C ATOM 1214 OE1 GLU A 76 -18.726 25.712 9.698 1.00 0.00 O ATOM 1215 OE2 GLU A 76 -18.410 24.379 11.360 1.00 0.00 O ATOM 0 H GLU A 76 -14.236 26.427 7.513 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.123 26.155 9.649 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -17.432 25.207 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -16.189 23.982 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -17.946 23.024 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -16.586 23.343 9.943 1.00 0.00 H new ATOM 1222 N MET A 77 -13.640 25.480 10.193 1.00 0.00 N ATOM 1223 CA MET A 77 -12.466 24.827 10.765 1.00 0.00 C ATOM 1224 C MET A 77 -12.851 23.559 11.529 1.00 0.00 C ATOM 1225 O MET A 77 -13.133 23.606 12.728 1.00 0.00 O ATOM 1226 CB MET A 77 -11.740 25.794 11.706 1.00 0.00 C ATOM 1227 CG MET A 77 -10.391 25.198 12.121 1.00 0.00 C ATOM 1228 SD MET A 77 -9.630 26.241 13.391 1.00 0.00 S ATOM 1229 CE MET A 77 -9.374 27.712 12.366 1.00 0.00 C ATOM 0 H MET A 77 -13.758 26.457 10.462 1.00 0.00 H new ATOM 0 HA MET A 77 -11.805 24.544 9.946 1.00 0.00 H new ATOM 0 HB2 MET A 77 -11.588 26.753 11.210 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.351 25.985 12.588 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.531 24.187 12.503 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.733 25.124 11.255 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.589 28.328 12.804 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.079 27.409 11.361 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.299 28.286 12.315 1.00 0.00 H new ATOM 1239 N GLN A 78 -12.833 22.422 10.833 1.00 0.00 N ATOM 1240 CA GLN A 78 -13.148 21.139 11.462 1.00 0.00 C ATOM 1241 C GLN A 78 -12.194 20.905 12.630 1.00 0.00 C ATOM 1242 O GLN A 78 -11.117 21.499 12.671 1.00 0.00 O ATOM 1243 CB GLN A 78 -13.013 19.992 10.449 1.00 0.00 C ATOM 1244 CG GLN A 78 -13.222 20.517 9.025 1.00 0.00 C ATOM 1245 CD GLN A 78 -13.407 19.354 8.056 1.00 0.00 C ATOM 1246 OE1 GLN A 78 -12.591 18.433 8.023 1.00 0.00 O ATOM 1247 NE2 GLN A 78 -14.438 19.343 7.256 1.00 0.00 N ATOM 0 H GLN A 78 -12.605 22.363 9.840 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.177 21.165 11.821 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -12.027 19.535 10.535 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -13.745 19.215 10.669 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.096 21.168 8.994 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.365 21.119 8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -15.114 20.107 7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.568 18.571 6.603 1.00 0.00 H new ATOM 1256 N PRO A 79 -12.538 20.061 13.570 1.00 0.00 N ATOM 1257 CA PRO A 79 -11.656 19.778 14.717 1.00 0.00 C ATOM 1258 C PRO A 79 -10.792 18.555 14.446 1.00 0.00 C ATOM 1259 O PRO A 79 -11.267 17.419 14.466 1.00 0.00 O ATOM 1260 CB PRO A 79 -12.660 19.501 15.825 1.00 0.00 C ATOM 1261 CG PRO A 79 -13.801 18.825 15.130 1.00 0.00 C ATOM 1262 CD PRO A 79 -13.777 19.285 13.663 1.00 0.00 C ATOM 0 HA PRO A 79 -10.957 20.582 14.947 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.232 18.864 16.599 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.980 20.423 16.311 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -13.703 17.741 15.195 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.748 19.088 15.600 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -13.773 18.438 12.977 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -14.650 19.890 13.418 1.00 0.00 H new ATOM 1270 N ARG A 80 -9.523 18.813 14.210 1.00 0.00 N ATOM 1271 CA ARG A 80 -8.554 17.758 13.948 1.00 0.00 C ATOM 1272 C ARG A 80 -7.175 18.378 13.767 1.00 0.00 C ATOM 1273 O ARG A 80 -7.011 19.294 12.958 1.00 0.00 O ATOM 1274 CB ARG A 80 -8.954 16.961 12.702 1.00 0.00 C ATOM 1275 CG ARG A 80 -9.345 15.536 13.115 1.00 0.00 C ATOM 1276 CD ARG A 80 -10.377 14.977 12.136 1.00 0.00 C ATOM 1277 NE ARG A 80 -9.789 14.829 10.809 1.00 0.00 N ATOM 1278 CZ ARG A 80 -10.006 15.721 9.843 1.00 0.00 C ATOM 1279 NH1 ARG A 80 -10.761 16.765 10.061 1.00 0.00 N ATOM 1280 NH2 ARG A 80 -9.462 15.551 8.672 1.00 0.00 N ATOM 0 H ARG A 80 -9.130 19.754 14.193 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.531 17.071 14.794 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.789 17.448 12.198 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -8.126 16.932 11.993 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.462 14.897 13.131 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -9.754 15.540 14.125 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.739 14.012 12.490 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -11.239 15.642 12.087 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.196 14.022 10.616 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.190 16.902 10.976 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.922 17.443 9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.872 14.737 8.497 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -9.626 16.231 7.930 1.00 0.00 H new ATOM 1294 N GLY A 81 -6.188 17.901 14.515 1.00 0.00 N ATOM 1295 CA GLY A 81 -4.847 18.461 14.403 1.00 0.00 C ATOM 1296 C GLY A 81 -3.986 17.727 13.375 1.00 0.00 C ATOM 1297 O GLY A 81 -3.705 18.252 12.301 1.00 0.00 O ATOM 0 H GLY A 81 -6.286 17.144 15.192 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.919 19.513 14.126 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.358 18.420 15.376 1.00 0.00 H new ATOM 1301 N GLU A 82 -3.549 16.526 13.737 1.00 0.00 N ATOM 1302 CA GLU A 82 -2.679 15.724 12.876 1.00 0.00 C ATOM 1303 C GLU A 82 -3.301 15.363 11.522 1.00 0.00 C ATOM 1304 O GLU A 82 -2.612 15.390 10.501 1.00 0.00 O ATOM 1305 CB GLU A 82 -2.288 14.436 13.609 1.00 0.00 C ATOM 1306 CG GLU A 82 -1.302 13.626 12.755 1.00 0.00 C ATOM 1307 CD GLU A 82 0.014 14.385 12.584 1.00 0.00 C ATOM 1308 OE1 GLU A 82 0.371 15.137 13.478 1.00 0.00 O ATOM 1309 OE2 GLU A 82 0.647 14.203 11.556 1.00 0.00 O ATOM 0 H GLU A 82 -3.783 16.082 14.625 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.807 16.342 12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.836 14.678 14.571 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.177 13.841 13.816 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.113 12.661 13.226 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.741 13.423 11.778 1.00 0.00 H new ATOM 1316 N GLN A 83 -4.573 14.975 11.514 1.00 0.00 N ATOM 1317 CA GLN A 83 -5.214 14.555 10.266 1.00 0.00 C ATOM 1318 C GLN A 83 -5.196 15.654 9.204 1.00 0.00 C ATOM 1319 O GLN A 83 -4.558 15.501 8.161 1.00 0.00 O ATOM 1320 CB GLN A 83 -6.659 14.126 10.538 1.00 0.00 C ATOM 1321 CG GLN A 83 -7.197 13.358 9.326 1.00 0.00 C ATOM 1322 CD GLN A 83 -6.520 11.995 9.229 1.00 0.00 C ATOM 1323 OE1 GLN A 83 -5.978 11.643 8.181 1.00 0.00 O ATOM 1324 NE2 GLN A 83 -6.516 11.202 10.265 1.00 0.00 N ATOM 0 H GLN A 83 -5.173 14.942 12.338 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.641 13.713 9.878 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.703 13.499 11.429 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.279 15.001 10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.276 13.232 9.415 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.017 13.928 8.415 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.965 11.494 11.133 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.064 10.290 10.207 1.00 0.00 H new ATOM 1333 N MET A 84 -5.898 16.751 9.466 1.00 0.00 N ATOM 1334 CA MET A 84 -5.949 17.854 8.511 1.00 0.00 C ATOM 1335 C MET A 84 -4.570 18.470 8.272 1.00 0.00 C ATOM 1336 O MET A 84 -4.286 18.943 7.172 1.00 0.00 O ATOM 1337 CB MET A 84 -6.936 18.926 8.973 1.00 0.00 C ATOM 1338 CG MET A 84 -8.376 18.444 8.728 1.00 0.00 C ATOM 1339 SD MET A 84 -9.525 19.829 8.938 1.00 0.00 S ATOM 1340 CE MET A 84 -9.115 20.230 10.654 1.00 0.00 C ATOM 0 H MET A 84 -6.434 16.901 10.321 1.00 0.00 H new ATOM 0 HA MET A 84 -6.294 17.441 7.563 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.788 19.138 10.032 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.757 19.856 8.434 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.466 18.033 7.723 1.00 0.00 H new ATOM 0 HG3 MET A 84 -8.625 17.643 9.424 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.868 20.906 11.059 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.093 19.315 11.246 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.137 20.711 10.692 1.00 0.00 H new ATOM 1350 N ARG A 85 -3.713 18.474 9.297 1.00 0.00 N ATOM 1351 CA ARG A 85 -2.378 19.050 9.143 1.00 0.00 C ATOM 1352 C ARG A 85 -1.691 18.445 7.923 1.00 0.00 C ATOM 1353 O ARG A 85 -1.190 19.164 7.059 1.00 0.00 O ATOM 1354 CB ARG A 85 -1.531 18.784 10.392 1.00 0.00 C ATOM 1355 CG ARG A 85 -0.179 19.492 10.258 1.00 0.00 C ATOM 1356 CD ARG A 85 0.678 19.203 11.493 1.00 0.00 C ATOM 1357 NE ARG A 85 1.159 17.824 11.464 1.00 0.00 N ATOM 1358 CZ ARG A 85 2.227 17.446 12.165 1.00 0.00 C ATOM 1359 NH1 ARG A 85 2.859 18.308 12.914 1.00 0.00 N ATOM 1360 NH2 ARG A 85 2.642 16.212 12.105 1.00 0.00 N ATOM 0 H ARG A 85 -3.914 18.094 10.222 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.479 20.127 9.008 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.053 19.141 11.280 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.380 17.712 10.520 1.00 0.00 H new ATOM 0 HG2 ARG A 85 0.334 19.150 9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.329 20.566 10.151 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.524 19.890 11.526 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.094 19.373 12.397 1.00 0.00 H new ATOM 0 HE ARG A 85 0.667 17.136 10.895 1.00 0.00 H new ATOM 0 HH11 ARG A 85 2.536 19.274 12.964 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.676 18.016 13.450 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.149 15.536 11.521 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.460 15.922 12.642 1.00 0.00 H new ATOM 1374 N ARG A 86 -1.701 17.119 7.847 1.00 0.00 N ATOM 1375 CA ARG A 86 -1.106 16.427 6.712 1.00 0.00 C ATOM 1376 C ARG A 86 -1.812 16.845 5.426 1.00 0.00 C ATOM 1377 O ARG A 86 -1.185 17.012 4.379 1.00 0.00 O ATOM 1378 CB ARG A 86 -1.233 14.913 6.900 1.00 0.00 C ATOM 1379 CG ARG A 86 -0.406 14.472 8.112 1.00 0.00 C ATOM 1380 CD ARG A 86 -0.571 12.965 8.329 1.00 0.00 C ATOM 1381 NE ARG A 86 0.029 12.222 7.222 1.00 0.00 N ATOM 1382 CZ ARG A 86 -0.702 11.779 6.198 1.00 0.00 C ATOM 1383 NH1 ARG A 86 -1.988 12.008 6.155 1.00 0.00 N ATOM 1384 NH2 ARG A 86 -0.129 11.115 5.233 1.00 0.00 N ATOM 0 H ARG A 86 -2.111 16.507 8.552 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.051 16.692 6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.279 14.641 7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.888 14.395 6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.645 14.713 7.954 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.728 15.015 9.001 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.101 12.673 9.268 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.629 12.717 8.411 1.00 0.00 H new ATOM 0 HE ARG A 86 1.032 12.038 7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.439 12.528 6.908 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.541 11.666 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.875 10.936 5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.685 10.775 4.448 1.00 0.00 H new ATOM 1398 N MET A 87 -3.130 17.003 5.530 1.00 0.00 N ATOM 1399 CA MET A 87 -3.958 17.393 4.393 1.00 0.00 C ATOM 1400 C MET A 87 -3.499 18.710 3.771 1.00 0.00 C ATOM 1401 O MET A 87 -3.754 18.955 2.596 1.00 0.00 O ATOM 1402 CB MET A 87 -5.419 17.525 4.819 1.00 0.00 C ATOM 1403 CG MET A 87 -6.314 17.509 3.575 1.00 0.00 C ATOM 1404 SD MET A 87 -7.576 18.801 3.705 1.00 0.00 S ATOM 1405 CE MET A 87 -8.170 18.398 5.365 1.00 0.00 C ATOM 0 H MET A 87 -3.649 16.866 6.397 1.00 0.00 H new ATOM 0 HA MET A 87 -3.856 16.608 3.644 1.00 0.00 H new ATOM 0 HB2 MET A 87 -5.690 16.707 5.486 1.00 0.00 H new ATOM 0 HB3 MET A 87 -5.565 18.451 5.374 1.00 0.00 H new ATOM 0 HG2 MET A 87 -5.711 17.667 2.681 1.00 0.00 H new ATOM 0 HG3 MET A 87 -6.789 16.534 3.471 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.254 18.288 5.347 1.00 0.00 H new ATOM 0 HE2 MET A 87 -7.716 17.464 5.697 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.898 19.198 6.053 1.00 0.00 H new ATOM 1415 N MET A 88 -2.849 19.574 4.552 1.00 0.00 N ATOM 1416 CA MET A 88 -2.412 20.860 4.006 1.00 0.00 C ATOM 1417 C MET A 88 -1.733 20.643 2.657 1.00 0.00 C ATOM 1418 O MET A 88 -2.097 21.274 1.664 1.00 0.00 O ATOM 1419 CB MET A 88 -1.446 21.559 4.970 1.00 0.00 C ATOM 1420 CG MET A 88 -2.199 21.989 6.234 1.00 0.00 C ATOM 1421 SD MET A 88 -1.155 23.096 7.221 1.00 0.00 S ATOM 1422 CE MET A 88 0.207 21.945 7.529 1.00 0.00 C ATOM 0 H MET A 88 -2.619 19.416 5.533 1.00 0.00 H new ATOM 0 HA MET A 88 -3.287 21.496 3.874 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.629 20.887 5.233 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.000 22.429 4.487 1.00 0.00 H new ATOM 0 HG2 MET A 88 -3.126 22.494 5.963 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.473 21.113 6.821 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.863 22.354 8.297 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.194 20.989 7.866 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.774 21.797 6.610 1.00 0.00 H new ATOM 1432 N ARG A 89 -0.776 19.720 2.617 1.00 0.00 N ATOM 1433 CA ARG A 89 -0.094 19.400 1.367 1.00 0.00 C ATOM 1434 C ARG A 89 -1.106 18.850 0.361 1.00 0.00 C ATOM 1435 O ARG A 89 -1.079 19.189 -0.822 1.00 0.00 O ATOM 1436 CB ARG A 89 1.006 18.362 1.613 1.00 0.00 C ATOM 1437 CG ARG A 89 2.037 18.916 2.603 1.00 0.00 C ATOM 1438 CD ARG A 89 2.812 20.073 1.962 1.00 0.00 C ATOM 1439 NE ARG A 89 3.522 19.612 0.771 1.00 0.00 N ATOM 1440 CZ ARG A 89 4.669 18.941 0.863 1.00 0.00 C ATOM 1441 NH1 ARG A 89 5.187 18.678 2.032 1.00 0.00 N ATOM 1442 NH2 ARG A 89 5.277 18.545 -0.221 1.00 0.00 N ATOM 0 H ARG A 89 -0.458 19.186 3.426 1.00 0.00 H new ATOM 0 HA ARG A 89 0.362 20.307 0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.570 17.444 2.005 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.494 18.107 0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.536 19.260 3.508 1.00 0.00 H new ATOM 0 HG3 ARG A 89 2.727 18.127 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.125 20.876 1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.521 20.486 2.679 1.00 0.00 H new ATOM 0 HE ARG A 89 3.131 19.808 -0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.713 18.987 2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 89 6.066 18.164 2.097 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.874 18.749 -1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.155 18.031 -0.154 1.00 0.00 H new ATOM 1456 N LEU A 90 -2.001 17.998 0.865 1.00 0.00 N ATOM 1457 CA LEU A 90 -3.043 17.382 0.050 1.00 0.00 C ATOM 1458 C LEU A 90 -3.942 18.437 -0.590 1.00 0.00 C ATOM 1459 O LEU A 90 -4.282 18.341 -1.770 1.00 0.00 O ATOM 1460 CB LEU A 90 -3.876 16.458 0.946 1.00 0.00 C ATOM 1461 CG LEU A 90 -5.051 15.861 0.170 1.00 0.00 C ATOM 1462 CD1 LEU A 90 -4.546 14.766 -0.759 1.00 0.00 C ATOM 1463 CD2 LEU A 90 -6.053 15.261 1.160 1.00 0.00 C ATOM 0 H LEU A 90 -2.022 17.718 1.846 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.578 16.814 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.247 15.657 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.248 17.016 1.805 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.533 16.641 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.385 14.342 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.826 15.187 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.065 13.984 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.893 14.834 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.565 14.480 1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.415 16.041 1.829 1.00 0.00 H new ATOM 1475 N ALA A 91 -4.326 19.440 0.196 1.00 0.00 N ATOM 1476 CA ALA A 91 -5.186 20.504 -0.305 1.00 0.00 C ATOM 1477 C ALA A 91 -4.548 21.175 -1.514 1.00 0.00 C ATOM 1478 O ALA A 91 -5.168 21.288 -2.567 1.00 0.00 O ATOM 1479 CB ALA A 91 -5.429 21.539 0.795 1.00 0.00 C ATOM 0 H ALA A 91 -4.057 19.537 1.175 1.00 0.00 H new ATOM 0 HA ALA A 91 -6.139 20.070 -0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -6.073 22.331 0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.911 21.059 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.477 21.965 1.110 1.00 0.00 H new ATOM 1485 N GLU A 92 -3.300 21.608 -1.350 1.00 0.00 N ATOM 1486 CA GLU A 92 -2.561 22.258 -2.430 1.00 0.00 C ATOM 1487 C GLU A 92 -2.415 21.324 -3.632 1.00 0.00 C ATOM 1488 O GLU A 92 -2.296 21.778 -4.769 1.00 0.00 O ATOM 1489 CB GLU A 92 -1.174 22.680 -1.932 1.00 0.00 C ATOM 1490 CG GLU A 92 -0.514 23.615 -2.956 1.00 0.00 C ATOM 1491 CD GLU A 92 0.176 22.812 -4.062 1.00 0.00 C ATOM 1492 OE1 GLU A 92 0.682 21.739 -3.771 1.00 0.00 O ATOM 1493 OE2 GLU A 92 0.193 23.288 -5.185 1.00 0.00 O ATOM 0 H GLU A 92 -2.778 21.520 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.120 23.140 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.261 23.184 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.551 21.800 -1.775 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.266 24.272 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 92 0.214 24.253 -2.456 1.00 0.00 H new ATOM 1500 N ASN A 93 -2.407 20.019 -3.369 1.00 0.00 N ATOM 1501 CA ASN A 93 -2.252 19.032 -4.433 1.00 0.00 C ATOM 1502 C ASN A 93 -3.476 18.996 -5.346 1.00 0.00 C ATOM 1503 O ASN A 93 -3.349 18.779 -6.550 1.00 0.00 O ATOM 1504 CB ASN A 93 -2.027 17.643 -3.826 1.00 0.00 C ATOM 1505 CG ASN A 93 -1.537 16.670 -4.896 1.00 0.00 C ATOM 1506 OD1 ASN A 93 -0.954 17.085 -5.899 1.00 0.00 O ATOM 1507 ND2 ASN A 93 -1.741 15.390 -4.742 1.00 0.00 N ATOM 0 H ASN A 93 -2.505 19.623 -2.434 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.388 19.320 -5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.297 17.705 -3.019 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.955 17.275 -3.388 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.418 14.733 -5.452 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.224 15.047 -3.912 1.00 0.00 H new ATOM 1514 N ILE A 94 -4.660 19.206 -4.772 1.00 0.00 N ATOM 1515 CA ILE A 94 -5.894 19.186 -5.558 1.00 0.00 C ATOM 1516 C ILE A 94 -5.795 20.135 -6.760 1.00 0.00 C ATOM 1517 O ILE A 94 -5.962 19.710 -7.900 1.00 0.00 O ATOM 1518 CB ILE A 94 -7.090 19.560 -4.671 1.00 0.00 C ATOM 1519 CG1 ILE A 94 -7.498 18.338 -3.839 1.00 0.00 C ATOM 1520 CG2 ILE A 94 -8.273 20.003 -5.542 1.00 0.00 C ATOM 1521 CD1 ILE A 94 -8.485 18.761 -2.748 1.00 0.00 C ATOM 0 H ILE A 94 -4.791 19.390 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.043 18.176 -5.941 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.808 20.381 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -7.953 17.584 -4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.616 17.882 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -9.116 20.266 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.983 20.870 -6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.561 19.188 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -8.772 17.890 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -8.015 19.499 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.372 19.196 -3.209 1.00 0.00 H new ATOM 1533 N PRO A 95 -5.526 21.399 -6.534 1.00 0.00 N ATOM 1534 CA PRO A 95 -5.400 22.408 -7.629 1.00 0.00 C ATOM 1535 C PRO A 95 -4.187 22.157 -8.529 1.00 0.00 C ATOM 1536 O PRO A 95 -4.161 22.596 -9.679 1.00 0.00 O ATOM 1537 CB PRO A 95 -5.263 23.744 -6.892 1.00 0.00 C ATOM 1538 CG PRO A 95 -4.773 23.399 -5.529 1.00 0.00 C ATOM 1539 CD PRO A 95 -5.311 22.007 -5.213 1.00 0.00 C ATOM 0 HA PRO A 95 -6.257 22.373 -8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.564 24.405 -7.405 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.219 24.266 -6.845 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.684 23.411 -5.494 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.123 24.126 -4.796 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -4.602 21.431 -4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.238 22.058 -4.642 1.00 0.00 H new ATOM 1547 N SER A 96 -3.196 21.435 -8.004 1.00 0.00 N ATOM 1548 CA SER A 96 -1.996 21.118 -8.776 1.00 0.00 C ATOM 1549 C SER A 96 -2.418 20.337 -9.993 1.00 0.00 C ATOM 1550 O SER A 96 -1.871 20.477 -11.087 1.00 0.00 O ATOM 1551 CB SER A 96 -1.015 20.295 -7.939 1.00 0.00 C ATOM 1552 OG SER A 96 -0.732 20.986 -6.730 1.00 0.00 O ATOM 0 H SER A 96 -3.201 21.062 -7.055 1.00 0.00 H new ATOM 0 HA SER A 96 -1.492 22.039 -9.069 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.439 19.315 -7.720 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.095 20.126 -8.498 1.00 0.00 H new ATOM 0 HG SER A 96 -1.548 21.050 -6.191 1.00 0.00 H new ATOM 1558 N ARG A 97 -3.422 19.519 -9.756 1.00 0.00 N ATOM 1559 CA ARG A 97 -4.005 18.681 -10.771 1.00 0.00 C ATOM 1560 C ARG A 97 -4.473 19.512 -11.963 1.00 0.00 C ATOM 1561 O ARG A 97 -4.465 19.040 -13.101 1.00 0.00 O ATOM 1562 CB ARG A 97 -5.184 17.945 -10.153 1.00 0.00 C ATOM 1563 CG ARG A 97 -4.686 17.006 -9.049 1.00 0.00 C ATOM 1564 CD ARG A 97 -5.836 16.117 -8.568 1.00 0.00 C ATOM 1565 NE ARG A 97 -6.970 16.931 -8.139 1.00 0.00 N ATOM 1566 CZ ARG A 97 -8.104 16.370 -7.723 1.00 0.00 C ATOM 1567 NH1 ARG A 97 -8.214 15.070 -7.672 1.00 0.00 N ATOM 1568 NH2 ARG A 97 -9.106 17.121 -7.365 1.00 0.00 N ATOM 0 H ARG A 97 -3.859 19.420 -8.840 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.260 17.973 -11.135 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.896 18.660 -9.741 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.711 17.375 -10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -3.869 16.389 -9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -4.290 17.587 -8.216 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.145 15.447 -9.370 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.498 15.491 -7.742 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.892 17.948 -8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.430 14.480 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.084 14.644 -7.353 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -9.021 18.137 -7.404 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.975 16.693 -7.046 1.00 0.00 H new ATOM 1582 N CYS A 98 -4.873 20.756 -11.694 1.00 0.00 N ATOM 1583 CA CYS A 98 -5.333 21.648 -12.745 1.00 0.00 C ATOM 1584 C CYS A 98 -4.237 22.612 -13.113 1.00 0.00 C ATOM 1585 O CYS A 98 -4.333 23.308 -14.125 1.00 0.00 O ATOM 1586 CB CYS A 98 -6.542 22.460 -12.290 1.00 0.00 C ATOM 1587 SG CYS A 98 -7.376 21.609 -10.927 1.00 0.00 S ATOM 0 H CYS A 98 -4.886 21.162 -10.758 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.611 21.033 -13.601 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.225 23.453 -11.971 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -7.233 22.598 -13.122 1.00 0.00 H new ATOM 1592 N ASN A 99 -3.207 22.682 -12.275 1.00 0.00 N ATOM 1593 CA ASN A 99 -2.136 23.608 -12.544 1.00 0.00 C ATOM 1594 C ASN A 99 -1.579 23.388 -13.915 1.00 0.00 C ATOM 1595 O ASN A 99 -1.696 22.316 -14.510 1.00 0.00 O ATOM 1596 CB ASN A 99 -1.030 23.570 -11.518 1.00 0.00 C ATOM 1597 CG ASN A 99 -1.500 24.264 -10.245 1.00 0.00 C ATOM 1598 OD1 ASN A 99 -0.801 24.255 -9.231 1.00 0.00 O ATOM 1599 ND2 ASN A 99 -2.654 24.877 -10.245 1.00 0.00 N ATOM 0 H ASN A 99 -3.100 22.122 -11.429 1.00 0.00 H new ATOM 0 HA ASN A 99 -2.578 24.603 -12.483 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.754 22.538 -11.302 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.140 24.064 -11.908 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.980 25.351 -9.403 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -3.229 24.882 -11.087 1.00 0.00 H new ATOM 1606 N LEU A 100 -1.078 24.472 -14.432 1.00 0.00 N ATOM 1607 CA LEU A 100 -0.599 24.515 -15.785 1.00 0.00 C ATOM 1608 C LEU A 100 0.553 25.505 -15.919 1.00 0.00 C ATOM 1609 O LEU A 100 0.504 26.595 -15.352 1.00 0.00 O ATOM 1610 CB LEU A 100 -1.797 24.953 -16.636 1.00 0.00 C ATOM 1611 CG LEU A 100 -2.917 25.494 -15.698 1.00 0.00 C ATOM 1612 CD1 LEU A 100 -2.665 26.969 -15.388 1.00 0.00 C ATOM 1613 CD2 LEU A 100 -4.278 25.326 -16.357 1.00 0.00 C ATOM 0 H LEU A 100 -0.989 25.354 -13.927 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.214 23.547 -16.105 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.494 25.725 -17.344 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.170 24.113 -17.221 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.905 24.927 -14.767 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.451 27.342 -14.732 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.699 27.077 -14.895 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.665 27.541 -16.316 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.053 25.707 -15.693 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.299 25.881 -17.295 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.458 24.270 -16.556 1.00 0.00 H new ATOM 1625 N SER A 101 1.584 25.104 -16.664 1.00 0.00 N ATOM 1626 CA SER A 101 2.767 25.939 -16.877 1.00 0.00 C ATOM 1627 C SER A 101 2.389 27.415 -16.996 1.00 0.00 C ATOM 1628 O SER A 101 2.012 27.886 -18.070 1.00 0.00 O ATOM 1629 CB SER A 101 3.492 25.492 -18.149 1.00 0.00 C ATOM 1630 OG SER A 101 2.555 25.393 -19.215 1.00 0.00 O ATOM 0 H SER A 101 1.623 24.199 -17.133 1.00 0.00 H new ATOM 0 HA SER A 101 3.424 25.822 -16.015 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.276 26.205 -18.404 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.977 24.530 -17.986 1.00 0.00 H new ATOM 0 HG SER A 101 1.992 26.195 -19.231 1.00 0.00 H new ATOM 1636 N PRO A 102 2.486 28.141 -15.912 1.00 0.00 N ATOM 1637 CA PRO A 102 2.157 29.587 -15.859 1.00 0.00 C ATOM 1638 C PRO A 102 3.360 30.451 -16.229 1.00 0.00 C ATOM 1639 O PRO A 102 4.489 30.143 -15.848 1.00 0.00 O ATOM 1640 CB PRO A 102 1.751 29.805 -14.389 1.00 0.00 C ATOM 1641 CG PRO A 102 2.034 28.511 -13.671 1.00 0.00 C ATOM 1642 CD PRO A 102 2.910 27.676 -14.595 1.00 0.00 C ATOM 0 HA PRO A 102 1.376 29.866 -16.566 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.317 30.625 -13.948 1.00 0.00 H new ATOM 0 HB3 PRO A 102 0.696 30.068 -14.313 1.00 0.00 H new ATOM 0 HG2 PRO A 102 2.540 28.697 -12.724 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.107 27.987 -13.440 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.972 27.853 -14.422 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.739 26.607 -14.464 1.00 0.00 H new ATOM 1650 N MET A 103 3.119 31.529 -16.969 1.00 0.00 N ATOM 1651 CA MET A 103 4.208 32.412 -17.367 1.00 0.00 C ATOM 1652 C MET A 103 4.735 33.183 -16.158 1.00 0.00 C ATOM 1653 O MET A 103 5.911 33.073 -15.810 1.00 0.00 O ATOM 1654 CB MET A 103 3.715 33.395 -18.435 1.00 0.00 C ATOM 1655 CG MET A 103 4.903 34.171 -19.014 1.00 0.00 C ATOM 1656 SD MET A 103 5.793 33.121 -20.191 1.00 0.00 S ATOM 1657 CE MET A 103 7.397 33.951 -20.070 1.00 0.00 C ATOM 0 H MET A 103 2.196 31.808 -17.300 1.00 0.00 H new ATOM 0 HA MET A 103 5.017 31.808 -17.778 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.200 32.855 -19.229 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.994 34.087 -18.000 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.553 35.076 -19.510 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.572 34.485 -18.212 1.00 0.00 H new ATOM 0 HE1 MET A 103 8.113 33.457 -20.728 1.00 0.00 H new ATOM 0 HE2 MET A 103 7.290 34.994 -20.368 1.00 0.00 H new ATOM 0 HE3 MET A 103 7.755 33.902 -19.042 1.00 0.00 H new ATOM 1667 N ARG A 104 3.851 33.947 -15.517 1.00 0.00 N ATOM 1668 CA ARG A 104 4.226 34.727 -14.336 1.00 0.00 C ATOM 1669 C ARG A 104 3.036 34.895 -13.397 1.00 0.00 C ATOM 1670 O ARG A 104 1.897 35.035 -13.846 1.00 0.00 O ATOM 1671 CB ARG A 104 4.734 36.116 -14.747 1.00 0.00 C ATOM 1672 CG ARG A 104 6.102 36.011 -15.435 1.00 0.00 C ATOM 1673 CD ARG A 104 7.172 35.582 -14.424 1.00 0.00 C ATOM 1674 NE ARG A 104 7.319 36.598 -13.381 1.00 0.00 N ATOM 1675 CZ ARG A 104 6.878 36.401 -12.137 1.00 0.00 C ATOM 1676 NH1 ARG A 104 6.297 35.279 -11.806 1.00 0.00 N ATOM 1677 NH2 ARG A 104 7.029 37.339 -11.242 1.00 0.00 N ATOM 0 H ARG A 104 2.874 34.043 -15.793 1.00 0.00 H new ATOM 0 HA ARG A 104 5.019 34.185 -13.821 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.018 36.586 -15.421 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.812 36.755 -13.868 1.00 0.00 H new ATOM 0 HG2 ARG A 104 6.052 35.290 -16.251 1.00 0.00 H new ATOM 0 HG3 ARG A 104 6.371 36.972 -15.874 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.897 34.627 -13.976 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.124 35.432 -14.933 1.00 0.00 H new ATOM 0 HE ARG A 104 7.772 37.482 -13.612 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.177 34.543 -12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.964 35.139 -10.852 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.482 38.217 -11.495 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.694 37.194 -10.290 1.00 0.00 H new ATOM 1691 N CYS A 105 3.313 34.908 -12.093 1.00 0.00 N ATOM 1692 CA CYS A 105 2.263 35.096 -11.094 1.00 0.00 C ATOM 1693 C CYS A 105 2.516 36.386 -10.310 1.00 0.00 C ATOM 1694 O CYS A 105 3.272 36.389 -9.337 1.00 0.00 O ATOM 1695 CB CYS A 105 2.229 33.905 -10.126 1.00 0.00 C ATOM 1696 SG CYS A 105 1.178 32.592 -10.802 1.00 0.00 S ATOM 0 H CYS A 105 4.250 34.791 -11.706 1.00 0.00 H new ATOM 0 HA CYS A 105 1.303 35.165 -11.606 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.239 33.528 -9.964 1.00 0.00 H new ATOM 0 HB3 CYS A 105 1.849 34.224 -9.156 1.00 0.00 H new ATOM 1701 N PRO A 106 1.895 37.475 -10.702 1.00 0.00 N ATOM 1702 CA PRO A 106 2.050 38.792 -10.011 1.00 0.00 C ATOM 1703 C PRO A 106 1.406 38.794 -8.643 1.00 0.00 C ATOM 1704 O PRO A 106 1.304 39.834 -7.989 1.00 0.00 O ATOM 1705 CB PRO A 106 1.339 39.798 -10.916 1.00 0.00 C ATOM 1706 CG PRO A 106 1.024 39.071 -12.187 1.00 0.00 C ATOM 1707 CD PRO A 106 0.986 37.582 -11.847 1.00 0.00 C ATOM 0 HA PRO A 106 3.103 39.026 -9.853 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.429 40.169 -10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 106 1.973 40.663 -11.110 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.067 39.399 -12.593 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.779 39.275 -12.946 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.022 37.253 -11.593 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.320 36.969 -12.684 1.00 0.00 H new ATOM 1715 N MET A 107 0.947 37.635 -8.236 1.00 0.00 N ATOM 1716 CA MET A 107 0.281 37.503 -6.966 1.00 0.00 C ATOM 1717 C MET A 107 1.266 37.528 -5.830 1.00 0.00 C ATOM 1718 O MET A 107 1.949 36.547 -5.531 1.00 0.00 O ATOM 1719 CB MET A 107 -0.456 36.202 -6.949 1.00 0.00 C ATOM 1720 CG MET A 107 -1.550 36.245 -8.009 1.00 0.00 C ATOM 1721 SD MET A 107 -2.450 37.815 -7.891 1.00 0.00 S ATOM 1722 CE MET A 107 -2.719 38.072 -9.662 1.00 0.00 C ATOM 0 H MET A 107 1.024 36.768 -8.769 1.00 0.00 H new ATOM 0 HA MET A 107 -0.405 38.340 -6.840 1.00 0.00 H new ATOM 0 HB2 MET A 107 0.229 35.377 -7.146 1.00 0.00 H new ATOM 0 HB3 MET A 107 -0.890 36.027 -5.965 1.00 0.00 H new ATOM 0 HG2 MET A 107 -1.113 36.139 -9.002 1.00 0.00 H new ATOM 0 HG3 MET A 107 -2.236 35.409 -7.872 1.00 0.00 H new ATOM 0 HE1 MET A 107 -2.916 39.127 -9.851 1.00 0.00 H new ATOM 0 HE2 MET A 107 -1.830 37.764 -10.213 1.00 0.00 H new ATOM 0 HE3 MET A 107 -3.573 37.479 -9.990 1.00 0.00 H new