USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 THR OG1 : rot 9:sc= 0.339 USER MOD Single : A 1 MET CE :methyl -131:sc= 0 (180deg=-0.00671) USER MOD Single : A 1 MET N :NH3+ -178:sc= 3.18 (180deg=3.08) USER MOD Single : A 7 ASN : amide:sc= 0.367! C(o=0.37!,f=-4.6!) USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.838 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.422 X(o=0.42,f=-0.0018) USER MOD Single : A 18 SER OG : rot -102:sc= 1.2 USER MOD Single : A 19 SER OG : rot 180:sc= 0.207 USER MOD Single : A 48 TYR OH : rot -15:sc= 1.32 USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= 0.14 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0.845 (180deg=0.83) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc= -0.0139 (180deg=-0.101) USER MOD Single : A 54 CYS SG : rot 26:sc= -0.741 USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 0.369 (180deg=0.197) USER MOD Single : A 58 ASN : amide:sc= 0.24 K(o=0.24,f=-8.9!) USER MOD Single : A 59 THR OG1 : rot 86:sc= 1.08 USER MOD Single : A 62 SER OG : rot -52:sc= 0.405 USER MOD Single : A 64 ASN : amide:sc= 1.15 K(o=1.1,f=-0.88) USER MOD Single : A 67 SER OG : rot 79:sc= 1.2 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0827 USER MOD Single : A 76 THR OG1 : rot 23:sc= 1.02 USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0597) USER MOD Single : A 84 LYS NZ :NH3+ 172:sc=-0.00975 (180deg=-0.124) USER MOD Single : A 85 LYS NZ :NH3+ -145:sc= -0.641 (180deg=-1.23) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.118 USER MOD Single : A 95 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.938) USER MOD Single : A 97 THR OG1 : rot -170:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.981 K(o=0.98,f=0) USER MOD Single : A 101 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 104 LYS NZ :NH3+ -151:sc= -0.142 (180deg=-0.969) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.06 K(o=1.1,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.173 3.037 -7.485 1.00 0.00 N ATOM 2 CA MET A 1 -8.584 3.304 -8.802 1.00 0.00 C ATOM 3 C MET A 1 -7.532 2.243 -9.090 1.00 0.00 C ATOM 4 O MET A 1 -6.990 1.688 -8.140 1.00 0.00 O ATOM 5 CB MET A 1 -7.943 4.703 -8.828 1.00 0.00 C ATOM 6 CG MET A 1 -7.763 5.228 -10.259 1.00 0.00 C ATOM 7 SD MET A 1 -9.305 5.567 -11.150 1.00 0.00 S ATOM 8 CE MET A 1 -9.829 7.101 -10.349 1.00 0.00 C ATOM 0 H1 MET A 1 -9.918 3.736 -7.290 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.583 2.081 -7.475 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.436 3.104 -6.755 1.00 0.00 H new ATOM 0 HA MET A 1 -9.363 3.271 -9.564 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.565 5.397 -8.263 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.974 4.667 -8.331 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.173 6.144 -10.222 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.185 4.499 -10.827 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.875 7.019 -10.055 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.216 7.277 -9.465 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.711 7.933 -11.044 1.00 0.00 H new ATOM 20 N GLU A 2 -7.264 1.950 -10.364 1.00 0.00 N ATOM 21 CA GLU A 2 -6.226 1.021 -10.786 1.00 0.00 C ATOM 22 C GLU A 2 -4.940 1.244 -9.976 1.00 0.00 C ATOM 23 O GLU A 2 -4.528 2.385 -9.760 1.00 0.00 O ATOM 24 CB GLU A 2 -5.962 1.187 -12.294 1.00 0.00 C ATOM 25 CG GLU A 2 -5.885 2.653 -12.772 1.00 0.00 C ATOM 26 CD GLU A 2 -7.196 3.154 -13.380 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.245 2.926 -12.738 1.00 0.00 O ATOM 28 OE2 GLU A 2 -7.126 3.762 -14.469 1.00 0.00 O ATOM 0 H GLU A 2 -7.776 2.363 -11.144 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.564 0.001 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.026 0.687 -12.544 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.752 0.679 -12.847 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.615 3.290 -11.930 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.089 2.747 -13.511 1.00 0.00 H new ATOM 35 N ALA A 3 -4.333 0.154 -9.503 1.00 0.00 N ATOM 36 CA ALA A 3 -3.135 0.231 -8.685 1.00 0.00 C ATOM 37 C ALA A 3 -1.910 0.586 -9.527 1.00 0.00 C ATOM 38 O ALA A 3 -1.899 0.358 -10.736 1.00 0.00 O ATOM 39 CB ALA A 3 -2.903 -1.109 -7.987 1.00 0.00 C ATOM 0 H ALA A 3 -4.659 -0.796 -9.678 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.280 1.017 -7.944 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.004 -1.049 -7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.759 -1.342 -7.354 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.781 -1.892 -8.735 1.00 0.00 H new ATOM 45 N GLY A 4 -0.878 1.124 -8.874 1.00 0.00 N ATOM 46 CA GLY A 4 0.398 1.462 -9.492 1.00 0.00 C ATOM 47 C GLY A 4 1.552 0.763 -8.770 1.00 0.00 C ATOM 48 O GLY A 4 1.343 -0.119 -7.938 1.00 0.00 O ATOM 0 H GLY A 4 -0.911 1.340 -7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.388 1.168 -10.542 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.546 2.542 -9.465 1.00 0.00 H new ATOM 52 N ALA A 5 2.782 1.178 -9.077 1.00 0.00 N ATOM 53 CA ALA A 5 4.009 0.708 -8.452 1.00 0.00 C ATOM 54 C ALA A 5 4.825 1.959 -8.147 1.00 0.00 C ATOM 55 O ALA A 5 4.714 2.934 -8.891 1.00 0.00 O ATOM 56 CB ALA A 5 4.757 -0.238 -9.394 1.00 0.00 C ATOM 0 H ALA A 5 2.952 1.879 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 5 3.814 0.142 -7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.673 -0.581 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.125 -1.095 -9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.007 0.288 -10.315 1.00 0.00 H new ATOM 62 N VAL A 6 5.601 1.959 -7.061 1.00 0.00 N ATOM 63 CA VAL A 6 6.373 3.126 -6.651 1.00 0.00 C ATOM 64 C VAL A 6 7.777 2.736 -6.200 1.00 0.00 C ATOM 65 O VAL A 6 8.097 1.565 -6.002 1.00 0.00 O ATOM 66 CB VAL A 6 5.639 3.904 -5.534 1.00 0.00 C ATOM 67 CG1 VAL A 6 4.671 4.930 -6.122 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.889 2.987 -4.565 1.00 0.00 C ATOM 0 H VAL A 6 5.709 1.152 -6.446 1.00 0.00 H new ATOM 0 HA VAL A 6 6.472 3.778 -7.519 1.00 0.00 H new ATOM 0 HB VAL A 6 6.415 4.419 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.169 5.462 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.223 5.641 -6.736 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.929 4.420 -6.736 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.394 3.589 -3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.144 2.410 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.595 2.307 -4.088 1.00 0.00 H new ATOM 78 N ASN A 7 8.598 3.774 -6.055 1.00 0.00 N ATOM 79 CA ASN A 7 9.968 3.778 -5.583 1.00 0.00 C ATOM 80 C ASN A 7 10.083 4.971 -4.644 1.00 0.00 C ATOM 81 O ASN A 7 9.172 5.792 -4.588 1.00 0.00 O ATOM 82 CB ASN A 7 10.913 3.947 -6.782 1.00 0.00 C ATOM 83 CG ASN A 7 12.347 4.301 -6.405 1.00 0.00 C ATOM 84 OD1 ASN A 7 12.708 5.474 -6.342 1.00 0.00 O ATOM 85 ND2 ASN A 7 13.151 3.297 -6.080 1.00 0.00 N ATOM 0 H ASN A 7 8.286 4.717 -6.288 1.00 0.00 H new ATOM 0 HA ASN A 7 10.233 2.851 -5.074 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.919 3.022 -7.358 1.00 0.00 H new ATOM 0 HB3 ASN A 7 10.518 4.726 -7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 7 14.103 3.487 -5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.818 2.335 -6.144 1.00 0.00 H new ATOM 92 N ASP A 8 11.202 5.061 -3.934 1.00 0.00 N ATOM 93 CA ASP A 8 11.552 6.150 -3.028 1.00 0.00 C ATOM 94 C ASP A 8 11.139 7.500 -3.611 1.00 0.00 C ATOM 95 O ASP A 8 10.453 8.293 -2.972 1.00 0.00 O ATOM 96 CB ASP A 8 13.070 6.109 -2.801 1.00 0.00 C ATOM 97 CG ASP A 8 13.565 7.045 -1.703 1.00 0.00 C ATOM 98 OD1 ASP A 8 12.735 7.766 -1.112 1.00 0.00 O ATOM 99 OD2 ASP A 8 14.792 7.008 -1.459 1.00 0.00 O ATOM 0 H ASP A 8 11.925 4.342 -3.976 1.00 0.00 H new ATOM 0 HA ASP A 8 11.023 6.027 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.361 5.089 -2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.572 6.364 -3.734 1.00 0.00 H new ATOM 104 N ASP A 9 11.545 7.726 -4.860 1.00 0.00 N ATOM 105 CA ASP A 9 11.224 8.945 -5.585 1.00 0.00 C ATOM 106 C ASP A 9 9.709 9.125 -5.725 1.00 0.00 C ATOM 107 O ASP A 9 9.107 9.968 -5.067 1.00 0.00 O ATOM 108 CB ASP A 9 11.884 8.900 -6.967 1.00 0.00 C ATOM 109 CG ASP A 9 11.461 10.100 -7.808 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.840 11.225 -7.420 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.753 9.866 -8.811 1.00 0.00 O ATOM 0 H ASP A 9 12.107 7.064 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 9 11.607 9.797 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.968 8.891 -6.857 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.608 7.977 -7.477 1.00 0.00 H new ATOM 116 N THR A 10 9.095 8.324 -6.595 1.00 0.00 N ATOM 117 CA THR A 10 7.685 8.425 -6.950 1.00 0.00 C ATOM 118 C THR A 10 6.770 8.421 -5.722 1.00 0.00 C ATOM 119 O THR A 10 5.776 9.144 -5.721 1.00 0.00 O ATOM 120 CB THR A 10 7.349 7.305 -7.943 1.00 0.00 C ATOM 121 OG1 THR A 10 7.880 6.070 -7.501 1.00 0.00 O ATOM 122 CG2 THR A 10 7.958 7.618 -9.315 1.00 0.00 C ATOM 0 H THR A 10 9.578 7.570 -7.083 1.00 0.00 H new ATOM 0 HA THR A 10 7.504 9.388 -7.428 1.00 0.00 H new ATOM 0 HB THR A 10 6.263 7.238 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.796 5.404 -8.214 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.714 6.817 -10.013 1.00 0.00 H new ATOM 0 HG22 THR A 10 7.553 8.559 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.041 7.701 -9.222 1.00 0.00 H new ATOM 130 N PHE A 11 7.106 7.650 -4.681 1.00 0.00 N ATOM 131 CA PHE A 11 6.400 7.581 -3.399 1.00 0.00 C ATOM 132 C PHE A 11 5.948 8.968 -2.953 1.00 0.00 C ATOM 133 O PHE A 11 4.815 9.187 -2.533 1.00 0.00 O ATOM 134 CB PHE A 11 7.351 7.012 -2.343 1.00 0.00 C ATOM 135 CG PHE A 11 6.763 6.835 -0.956 1.00 0.00 C ATOM 136 CD1 PHE A 11 6.037 5.672 -0.644 1.00 0.00 C ATOM 137 CD2 PHE A 11 7.012 7.792 0.046 1.00 0.00 C ATOM 138 CE1 PHE A 11 5.562 5.464 0.662 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.531 7.587 1.350 1.00 0.00 C ATOM 140 CZ PHE A 11 5.803 6.425 1.658 1.00 0.00 C ATOM 0 H PHE A 11 7.915 7.029 -4.712 1.00 0.00 H new ATOM 0 HA PHE A 11 5.522 6.945 -3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.713 6.044 -2.690 1.00 0.00 H new ATOM 0 HB3 PHE A 11 8.218 7.669 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.844 4.936 -1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.573 8.685 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.012 4.566 0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.721 8.323 2.117 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.429 6.271 2.659 1.00 0.00 H new ATOM 150 N LYS A 12 6.867 9.915 -3.056 1.00 0.00 N ATOM 151 CA LYS A 12 6.615 11.308 -2.723 1.00 0.00 C ATOM 152 C LYS A 12 5.341 11.837 -3.392 1.00 0.00 C ATOM 153 O LYS A 12 4.390 12.245 -2.733 1.00 0.00 O ATOM 154 CB LYS A 12 7.790 12.164 -3.191 1.00 0.00 C ATOM 155 CG LYS A 12 9.057 11.899 -2.365 1.00 0.00 C ATOM 156 CD LYS A 12 10.281 12.610 -2.957 1.00 0.00 C ATOM 157 CE LYS A 12 10.140 14.136 -2.916 1.00 0.00 C ATOM 158 NZ LYS A 12 11.364 14.797 -3.403 1.00 0.00 N ATOM 0 H LYS A 12 7.819 9.736 -3.376 1.00 0.00 H new ATOM 0 HA LYS A 12 6.491 11.366 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.993 11.959 -4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.523 13.218 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.900 12.237 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.245 10.826 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.173 12.314 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.423 12.287 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.291 14.442 -3.527 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.931 14.457 -1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.240 15.829 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.169 14.522 -2.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.548 14.507 -4.385 1.00 0.00 H new ATOM 172 N ASN A 13 5.332 11.853 -4.720 1.00 0.00 N ATOM 173 CA ASN A 13 4.245 12.414 -5.503 1.00 0.00 C ATOM 174 C ASN A 13 2.995 11.550 -5.438 1.00 0.00 C ATOM 175 O ASN A 13 1.877 12.052 -5.385 1.00 0.00 O ATOM 176 CB ASN A 13 4.700 12.515 -6.963 1.00 0.00 C ATOM 177 CG ASN A 13 5.840 13.504 -7.213 1.00 0.00 C ATOM 178 OD1 ASN A 13 6.475 13.451 -8.260 1.00 0.00 O ATOM 179 ND2 ASN A 13 6.127 14.418 -6.287 1.00 0.00 N ATOM 0 H ASN A 13 6.089 11.472 -5.287 1.00 0.00 H new ATOM 0 HA ASN A 13 3.999 13.394 -5.094 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.014 11.527 -7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.846 12.804 -7.576 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.883 15.084 -6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.591 14.451 -5.420 1.00 0.00 H new ATOM 186 N VAL A 14 3.211 10.241 -5.478 1.00 0.00 N ATOM 187 CA VAL A 14 2.150 9.259 -5.645 1.00 0.00 C ATOM 188 C VAL A 14 1.464 8.893 -4.329 1.00 0.00 C ATOM 189 O VAL A 14 0.252 8.706 -4.312 1.00 0.00 O ATOM 190 CB VAL A 14 2.751 8.027 -6.346 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.719 6.908 -6.509 1.00 0.00 C ATOM 192 CG2 VAL A 14 3.269 8.395 -7.746 1.00 0.00 C ATOM 0 H VAL A 14 4.140 9.828 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 14 1.359 9.689 -6.259 1.00 0.00 H new ATOM 0 HB VAL A 14 3.569 7.680 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.182 6.056 -7.008 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.357 6.601 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.883 7.269 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.689 7.510 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.446 8.776 -8.350 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.040 9.161 -7.659 1.00 0.00 H new ATOM 202 N VAL A 15 2.225 8.754 -3.243 1.00 0.00 N ATOM 203 CA VAL A 15 1.718 8.328 -1.944 1.00 0.00 C ATOM 204 C VAL A 15 1.534 9.523 -1.020 1.00 0.00 C ATOM 205 O VAL A 15 0.425 9.771 -0.551 1.00 0.00 O ATOM 206 CB VAL A 15 2.668 7.292 -1.313 1.00 0.00 C ATOM 207 CG1 VAL A 15 2.074 6.734 -0.017 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.945 6.147 -2.291 1.00 0.00 C ATOM 0 H VAL A 15 3.228 8.938 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 15 0.744 7.860 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 15 3.608 7.794 -1.083 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.760 6.004 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.919 7.547 0.692 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.120 6.253 -0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.618 5.426 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.008 5.654 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.407 6.544 -3.195 1.00 0.00 H new ATOM 218 N LEU A 16 2.619 10.248 -0.736 1.00 0.00 N ATOM 219 CA LEU A 16 2.551 11.353 0.209 1.00 0.00 C ATOM 220 C LEU A 16 1.652 12.463 -0.326 1.00 0.00 C ATOM 221 O LEU A 16 0.547 12.675 0.171 1.00 0.00 O ATOM 222 CB LEU A 16 3.953 11.890 0.528 1.00 0.00 C ATOM 223 CG LEU A 16 4.868 10.890 1.252 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.195 11.583 1.577 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.249 10.355 2.547 1.00 0.00 C ATOM 0 H LEU A 16 3.541 10.089 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 16 2.117 10.980 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.432 12.194 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.855 12.784 1.143 1.00 0.00 H new ATOM 0 HG LEU A 16 5.019 10.038 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.854 10.884 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.668 11.915 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.008 12.444 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.938 9.653 3.017 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.056 11.184 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.312 9.846 2.319 1.00 0.00 H new ATOM 237 N GLU A 17 2.085 13.137 -1.388 1.00 0.00 N ATOM 238 CA GLU A 17 1.431 14.331 -1.916 1.00 0.00 C ATOM 239 C GLU A 17 0.176 14.003 -2.742 1.00 0.00 C ATOM 240 O GLU A 17 -0.121 14.692 -3.715 1.00 0.00 O ATOM 241 CB GLU A 17 2.457 15.093 -2.774 1.00 0.00 C ATOM 242 CG GLU A 17 3.734 15.473 -2.007 1.00 0.00 C ATOM 243 CD GLU A 17 4.809 15.988 -2.958 1.00 0.00 C ATOM 244 OE1 GLU A 17 5.336 15.151 -3.725 1.00 0.00 O ATOM 245 OE2 GLU A 17 5.084 17.206 -2.908 1.00 0.00 O ATOM 0 H GLU A 17 2.915 12.864 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 17 1.091 14.942 -1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.728 14.480 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.993 15.999 -3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.503 16.237 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.109 14.605 -1.464 1.00 0.00 H new ATOM 252 N SER A 18 -0.571 12.966 -2.354 1.00 0.00 N ATOM 253 CA SER A 18 -1.818 12.580 -2.991 1.00 0.00 C ATOM 254 C SER A 18 -2.985 13.281 -2.295 1.00 0.00 C ATOM 255 O SER A 18 -2.991 13.424 -1.070 1.00 0.00 O ATOM 256 CB SER A 18 -1.980 11.064 -2.919 1.00 0.00 C ATOM 257 OG SER A 18 -3.104 10.663 -3.679 1.00 0.00 O ATOM 0 H SER A 18 -0.314 12.364 -1.572 1.00 0.00 H new ATOM 0 HA SER A 18 -1.806 12.880 -4.039 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.082 10.575 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.101 10.751 -1.882 1.00 0.00 H new ATOM 0 HG SER A 18 -3.856 10.480 -3.078 1.00 0.00 H new ATOM 263 N SER A 19 -3.994 13.675 -3.071 1.00 0.00 N ATOM 264 CA SER A 19 -5.200 14.317 -2.584 1.00 0.00 C ATOM 265 C SER A 19 -6.117 13.238 -2.012 1.00 0.00 C ATOM 266 O SER A 19 -6.435 13.238 -0.825 1.00 0.00 O ATOM 267 CB SER A 19 -5.850 15.028 -3.774 1.00 0.00 C ATOM 268 OG SER A 19 -5.791 14.171 -4.906 1.00 0.00 O ATOM 0 H SER A 19 -3.988 13.550 -4.083 1.00 0.00 H new ATOM 0 HA SER A 19 -4.994 15.045 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.885 15.279 -3.544 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.333 15.965 -3.982 1.00 0.00 H new ATOM 0 HG SER A 19 -6.206 14.615 -5.675 1.00 0.00 H new ATOM 274 N VAL A 20 -6.514 12.300 -2.872 1.00 0.00 N ATOM 275 CA VAL A 20 -7.355 11.176 -2.487 1.00 0.00 C ATOM 276 C VAL A 20 -6.465 10.136 -1.792 1.00 0.00 C ATOM 277 O VAL A 20 -5.250 10.141 -2.007 1.00 0.00 O ATOM 278 CB VAL A 20 -8.072 10.596 -3.721 1.00 0.00 C ATOM 279 CG1 VAL A 20 -8.870 11.681 -4.456 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.134 9.883 -4.704 1.00 0.00 C ATOM 0 H VAL A 20 -6.258 12.302 -3.859 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.136 11.494 -1.796 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.753 9.839 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.366 11.244 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.618 12.101 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.194 12.470 -4.785 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.711 9.502 -5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.384 10.586 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.639 9.054 -4.198 1.00 0.00 H new ATOM 290 N PRO A 21 -7.023 9.269 -0.932 1.00 0.00 N ATOM 291 CA PRO A 21 -6.245 8.257 -0.239 1.00 0.00 C ATOM 292 C PRO A 21 -5.460 7.328 -1.159 1.00 0.00 C ATOM 293 O PRO A 21 -5.794 7.150 -2.331 1.00 0.00 O ATOM 294 CB PRO A 21 -7.256 7.440 0.548 1.00 0.00 C ATOM 295 CG PRO A 21 -8.341 8.453 0.859 1.00 0.00 C ATOM 296 CD PRO A 21 -8.396 9.254 -0.444 1.00 0.00 C ATOM 0 HA PRO A 21 -5.493 8.750 0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.640 6.603 -0.035 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.820 7.023 1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.294 7.976 1.087 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.085 9.078 1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.067 8.789 -1.166 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.765 10.265 -0.271 1.00 0.00 H new ATOM 304 N VAL A 22 -4.452 6.680 -0.575 1.00 0.00 N ATOM 305 CA VAL A 22 -3.514 5.816 -1.272 1.00 0.00 C ATOM 306 C VAL A 22 -3.142 4.598 -0.429 1.00 0.00 C ATOM 307 O VAL A 22 -2.543 4.743 0.635 1.00 0.00 O ATOM 308 CB VAL A 22 -2.246 6.613 -1.617 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.343 5.755 -2.505 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.559 7.943 -2.305 1.00 0.00 C ATOM 0 H VAL A 22 -4.265 6.747 0.425 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.992 5.459 -2.184 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.737 6.856 -0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.441 6.314 -2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.070 4.843 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.874 5.496 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.629 8.466 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.099 7.754 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.173 8.558 -1.646 1.00 0.00 H new ATOM 320 N LEU A 23 -3.455 3.403 -0.932 1.00 0.00 N ATOM 321 CA LEU A 23 -3.166 2.124 -0.287 1.00 0.00 C ATOM 322 C LEU A 23 -1.831 1.583 -0.797 1.00 0.00 C ATOM 323 O LEU A 23 -1.806 0.842 -1.774 1.00 0.00 O ATOM 324 CB LEU A 23 -4.314 1.150 -0.599 1.00 0.00 C ATOM 325 CG LEU A 23 -4.344 -0.071 0.338 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.776 -0.326 0.817 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.827 -1.330 -0.368 1.00 0.00 C ATOM 0 H LEU A 23 -3.931 3.297 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.088 2.248 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.263 1.681 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.221 0.807 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.695 0.147 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.789 -1.191 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.141 0.549 1.355 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.419 -0.517 -0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.861 -2.174 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.452 -1.544 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.799 -1.169 -0.693 1.00 0.00 H new ATOM 339 N VAL A 24 -0.709 1.945 -0.178 1.00 0.00 N ATOM 340 CA VAL A 24 0.590 1.468 -0.645 1.00 0.00 C ATOM 341 C VAL A 24 0.966 0.200 0.120 1.00 0.00 C ATOM 342 O VAL A 24 0.844 0.155 1.344 1.00 0.00 O ATOM 343 CB VAL A 24 1.660 2.569 -0.533 1.00 0.00 C ATOM 344 CG1 VAL A 24 1.651 3.262 0.827 1.00 0.00 C ATOM 345 CG2 VAL A 24 3.062 2.019 -0.831 1.00 0.00 C ATOM 0 H VAL A 24 -0.672 2.558 0.636 1.00 0.00 H new ATOM 0 HA VAL A 24 0.529 1.217 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 24 1.404 3.315 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.425 4.029 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.678 3.724 0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.843 2.529 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.794 2.822 -0.743 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.302 1.230 -0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.087 1.614 -1.843 1.00 0.00 H new ATOM 355 N ASP A 25 1.420 -0.831 -0.600 1.00 0.00 N ATOM 356 CA ASP A 25 1.904 -2.073 -0.022 1.00 0.00 C ATOM 357 C ASP A 25 3.424 -2.122 -0.172 1.00 0.00 C ATOM 358 O ASP A 25 3.941 -2.034 -1.284 1.00 0.00 O ATOM 359 CB ASP A 25 1.265 -3.285 -0.708 1.00 0.00 C ATOM 360 CG ASP A 25 1.835 -4.602 -0.171 1.00 0.00 C ATOM 361 OD1 ASP A 25 2.134 -4.654 1.044 1.00 0.00 O ATOM 362 OD2 ASP A 25 1.967 -5.535 -0.992 1.00 0.00 O ATOM 0 H ASP A 25 1.459 -0.818 -1.619 1.00 0.00 H new ATOM 0 HA ASP A 25 1.631 -2.109 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 25 0.186 -3.265 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.434 -3.226 -1.783 1.00 0.00 H new ATOM 367 N PHE A 26 4.158 -2.236 0.931 1.00 0.00 N ATOM 368 CA PHE A 26 5.601 -2.406 0.890 1.00 0.00 C ATOM 369 C PHE A 26 5.827 -3.882 0.583 1.00 0.00 C ATOM 370 O PHE A 26 5.540 -4.719 1.437 1.00 0.00 O ATOM 371 CB PHE A 26 6.222 -2.010 2.231 1.00 0.00 C ATOM 372 CG PHE A 26 6.218 -0.517 2.504 1.00 0.00 C ATOM 373 CD1 PHE A 26 5.038 0.136 2.910 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.412 0.217 2.389 1.00 0.00 C ATOM 375 CE1 PHE A 26 5.061 1.502 3.236 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.448 1.568 2.779 1.00 0.00 C ATOM 377 CZ PHE A 26 6.272 2.214 3.197 1.00 0.00 C ATOM 0 H PHE A 26 3.768 -2.213 1.873 1.00 0.00 H new ATOM 0 HA PHE A 26 6.070 -1.772 0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.682 -2.515 3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.250 -2.371 2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.112 -0.416 2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.302 -0.257 2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.148 2.005 3.517 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.382 2.110 2.757 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.299 3.254 3.487 1.00 0.00 H new ATOM 387 N TRP A 27 6.289 -4.200 -0.629 1.00 0.00 N ATOM 388 CA TRP A 27 6.467 -5.575 -1.078 1.00 0.00 C ATOM 389 C TRP A 27 7.906 -5.807 -1.508 1.00 0.00 C ATOM 390 O TRP A 27 8.776 -4.946 -1.383 1.00 0.00 O ATOM 391 CB TRP A 27 5.532 -5.865 -2.269 1.00 0.00 C ATOM 392 CG TRP A 27 5.936 -5.200 -3.548 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.860 -3.873 -3.762 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.600 -5.755 -4.729 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.494 -3.540 -4.939 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.990 -4.663 -5.564 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.935 -7.053 -5.187 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.718 -4.840 -6.749 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.623 -7.233 -6.396 1.00 0.00 C ATOM 400 CH2 TRP A 27 8.051 -6.138 -7.159 1.00 0.00 C ATOM 0 H TRP A 27 6.550 -3.504 -1.327 1.00 0.00 H new ATOM 0 HA TRP A 27 6.225 -6.242 -0.251 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.492 -6.942 -2.430 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.523 -5.544 -2.010 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.371 -3.169 -3.104 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.584 -2.590 -5.299 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.657 -7.915 -4.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.018 -3.987 -7.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.827 -8.234 -6.746 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.633 -6.293 -8.056 1.00 0.00 H new ATOM 411 N ALA A 28 8.145 -6.993 -2.058 1.00 0.00 N ATOM 412 CA ALA A 28 9.377 -7.416 -2.693 1.00 0.00 C ATOM 413 C ALA A 28 9.003 -8.677 -3.467 1.00 0.00 C ATOM 414 O ALA A 28 8.060 -9.361 -3.075 1.00 0.00 O ATOM 415 CB ALA A 28 10.462 -7.709 -1.662 1.00 0.00 C ATOM 0 H ALA A 28 7.436 -7.726 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 28 9.787 -6.641 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.373 -8.024 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.664 -6.809 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.126 -8.504 -0.996 1.00 0.00 H new ATOM 421 N PRO A 29 9.682 -9.028 -4.558 1.00 0.00 N ATOM 422 CA PRO A 29 9.260 -10.169 -5.349 1.00 0.00 C ATOM 423 C PRO A 29 9.484 -11.473 -4.616 1.00 0.00 C ATOM 424 O PRO A 29 8.619 -12.343 -4.559 1.00 0.00 O ATOM 425 CB PRO A 29 10.099 -10.057 -6.594 1.00 0.00 C ATOM 426 CG PRO A 29 11.389 -9.346 -6.191 1.00 0.00 C ATOM 427 CD PRO A 29 10.869 -8.391 -5.111 1.00 0.00 C ATOM 0 HA PRO A 29 8.192 -10.167 -5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.313 -11.043 -7.006 1.00 0.00 H new ATOM 0 HB3 PRO A 29 9.573 -9.496 -7.366 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.138 -10.037 -5.805 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.846 -8.815 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.621 -8.227 -4.339 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.629 -7.416 -5.534 1.00 0.00 H new ATOM 435 N TRP A 30 10.666 -11.571 -4.021 1.00 0.00 N ATOM 436 CA TRP A 30 11.039 -12.691 -3.170 1.00 0.00 C ATOM 437 C TRP A 30 10.025 -12.858 -2.026 1.00 0.00 C ATOM 438 O TRP A 30 9.917 -13.944 -1.457 1.00 0.00 O ATOM 439 CB TRP A 30 12.469 -12.502 -2.640 1.00 0.00 C ATOM 440 CG TRP A 30 12.813 -11.202 -1.967 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.621 -10.250 -2.487 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.447 -10.719 -0.635 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.776 -9.215 -1.589 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.047 -9.438 -0.438 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.684 -11.235 0.436 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.849 -8.687 0.732 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.463 -10.482 1.604 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.012 -9.196 1.739 1.00 0.00 C ATOM 0 H TRP A 30 11.399 -10.868 -4.117 1.00 0.00 H new ATOM 0 HA TRP A 30 11.022 -13.608 -3.759 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.671 -13.306 -1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.154 -12.635 -3.477 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.079 -10.294 -3.464 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.354 -8.391 -1.754 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.262 -12.226 0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.334 -7.730 0.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.866 -10.896 2.403 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.792 -8.601 2.613 1.00 0.00 H new ATOM 459 N CYS A 31 9.256 -11.811 -1.693 1.00 0.00 N ATOM 460 CA CYS A 31 8.270 -11.911 -0.624 1.00 0.00 C ATOM 461 C CYS A 31 7.040 -12.659 -1.136 1.00 0.00 C ATOM 462 O CYS A 31 6.059 -12.057 -1.567 1.00 0.00 O ATOM 463 CB CYS A 31 7.911 -10.531 -0.068 1.00 0.00 C ATOM 464 SG CYS A 31 6.506 -10.514 1.063 1.00 0.00 S ATOM 0 H CYS A 31 9.301 -10.898 -2.146 1.00 0.00 H new ATOM 0 HA CYS A 31 8.697 -12.476 0.205 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.781 -10.126 0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.696 -9.863 -0.902 1.00 0.00 H new ATOM 469 N GLY A 32 7.098 -13.991 -1.080 1.00 0.00 N ATOM 470 CA GLY A 32 5.994 -14.883 -1.418 1.00 0.00 C ATOM 471 C GLY A 32 4.628 -14.360 -0.945 1.00 0.00 C ATOM 472 O GLY A 32 3.741 -14.168 -1.778 1.00 0.00 O ATOM 0 H GLY A 32 7.939 -14.490 -0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.967 -15.025 -2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.176 -15.861 -0.972 1.00 0.00 H new ATOM 476 N PRO A 33 4.429 -14.103 0.363 1.00 0.00 N ATOM 477 CA PRO A 33 3.157 -13.601 0.869 1.00 0.00 C ATOM 478 C PRO A 33 2.732 -12.277 0.217 1.00 0.00 C ATOM 479 O PRO A 33 1.541 -11.988 0.169 1.00 0.00 O ATOM 480 CB PRO A 33 3.303 -13.488 2.389 1.00 0.00 C ATOM 481 CG PRO A 33 4.808 -13.532 2.640 1.00 0.00 C ATOM 482 CD PRO A 33 5.343 -14.355 1.469 1.00 0.00 C ATOM 0 HA PRO A 33 2.352 -14.290 0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.867 -12.561 2.761 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.793 -14.306 2.897 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.241 -12.532 2.658 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.041 -13.998 3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.360 -14.057 1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.375 -15.416 1.718 1.00 0.00 H new ATOM 490 N CYS A 34 3.675 -11.476 -0.289 1.00 0.00 N ATOM 491 CA CYS A 34 3.368 -10.242 -1.004 1.00 0.00 C ATOM 492 C CYS A 34 2.908 -10.613 -2.417 1.00 0.00 C ATOM 493 O CYS A 34 1.864 -10.176 -2.902 1.00 0.00 O ATOM 494 CB CYS A 34 4.584 -9.311 -1.084 1.00 0.00 C ATOM 495 SG CYS A 34 5.429 -8.836 0.448 1.00 0.00 S ATOM 0 H CYS A 34 4.674 -11.669 -0.212 1.00 0.00 H new ATOM 0 HA CYS A 34 2.586 -9.707 -0.465 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.320 -9.786 -1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.265 -8.395 -1.582 1.00 0.00 H new ATOM 500 N ARG A 35 3.717 -11.446 -3.074 1.00 0.00 N ATOM 501 CA ARG A 35 3.511 -11.932 -4.429 1.00 0.00 C ATOM 502 C ARG A 35 2.095 -12.465 -4.620 1.00 0.00 C ATOM 503 O ARG A 35 1.413 -12.090 -5.569 1.00 0.00 O ATOM 504 CB ARG A 35 4.543 -13.034 -4.705 1.00 0.00 C ATOM 505 CG ARG A 35 4.767 -13.285 -6.201 1.00 0.00 C ATOM 506 CD ARG A 35 5.635 -14.535 -6.392 1.00 0.00 C ATOM 507 NE ARG A 35 6.886 -14.426 -5.627 1.00 0.00 N ATOM 508 CZ ARG A 35 7.531 -15.427 -5.013 1.00 0.00 C ATOM 509 NH1 ARG A 35 7.183 -16.703 -5.209 1.00 0.00 N ATOM 510 NH2 ARG A 35 8.533 -15.115 -4.189 1.00 0.00 N ATOM 0 H ARG A 35 4.570 -11.813 -2.653 1.00 0.00 H new ATOM 0 HA ARG A 35 3.639 -11.109 -5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 35 5.491 -12.760 -4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.213 -13.959 -4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.809 -13.415 -6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.252 -12.421 -6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.083 -15.418 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.861 -14.668 -7.450 1.00 0.00 H new ATOM 0 HE ARG A 35 7.303 -13.498 -5.557 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.412 -16.931 -5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.689 -17.449 -4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 35 8.787 -14.138 -4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.045 -15.853 -3.706 1.00 0.00 H new ATOM 524 N ILE A 36 1.656 -13.347 -3.722 1.00 0.00 N ATOM 525 CA ILE A 36 0.345 -13.974 -3.854 1.00 0.00 C ATOM 526 C ILE A 36 -0.803 -12.963 -3.736 1.00 0.00 C ATOM 527 O ILE A 36 -1.780 -13.094 -4.467 1.00 0.00 O ATOM 528 CB ILE A 36 0.188 -15.139 -2.863 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.259 -14.645 -1.410 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.266 -16.190 -3.170 1.00 0.00 C ATOM 531 CD1 ILE A 36 0.145 -15.767 -0.383 1.00 0.00 C ATOM 0 H ILE A 36 2.186 -13.641 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 36 0.285 -14.385 -4.862 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.795 -15.596 -2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.201 -14.118 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.540 -13.924 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.169 -17.024 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.142 -16.551 -4.191 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.253 -15.741 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.203 -15.348 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.809 -16.279 -0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.960 -16.477 -0.527 1.00 0.00 H new ATOM 543 N ILE A 37 -0.726 -11.978 -2.831 1.00 0.00 N ATOM 544 CA ILE A 37 -1.809 -11.000 -2.704 1.00 0.00 C ATOM 545 C ILE A 37 -1.767 -9.959 -3.830 1.00 0.00 C ATOM 546 O ILE A 37 -2.816 -9.422 -4.180 1.00 0.00 O ATOM 547 CB ILE A 37 -1.826 -10.312 -1.321 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.554 -9.497 -1.033 1.00 0.00 C ATOM 549 CG2 ILE A 37 -2.055 -11.366 -0.228 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.655 -8.671 0.253 1.00 0.00 C ATOM 0 H ILE A 37 0.056 -11.840 -2.191 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.739 -11.561 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.647 -9.595 -1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.297 -10.175 -0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.358 -8.830 -1.873 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.067 -10.881 0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.009 -11.864 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.251 -12.102 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.272 -8.117 0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.487 -7.971 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.822 -9.336 1.100 1.00 0.00 H new ATOM 562 N ALA A 38 -0.590 -9.689 -4.409 1.00 0.00 N ATOM 563 CA ALA A 38 -0.379 -8.659 -5.428 1.00 0.00 C ATOM 564 C ALA A 38 -1.510 -8.534 -6.471 1.00 0.00 C ATOM 565 O ALA A 38 -1.964 -7.412 -6.701 1.00 0.00 O ATOM 566 CB ALA A 38 0.979 -8.876 -6.109 1.00 0.00 C ATOM 0 H ALA A 38 0.263 -10.196 -4.174 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.389 -7.706 -4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.133 -8.108 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.773 -8.816 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.997 -9.859 -6.580 1.00 0.00 H new ATOM 572 N PRO A 39 -2.008 -9.615 -7.100 1.00 0.00 N ATOM 573 CA PRO A 39 -3.081 -9.521 -8.080 1.00 0.00 C ATOM 574 C PRO A 39 -4.348 -8.961 -7.430 1.00 0.00 C ATOM 575 O PRO A 39 -5.080 -8.176 -8.030 1.00 0.00 O ATOM 576 CB PRO A 39 -3.310 -10.945 -8.608 1.00 0.00 C ATOM 577 CG PRO A 39 -2.046 -11.699 -8.195 1.00 0.00 C ATOM 578 CD PRO A 39 -1.693 -11.011 -6.882 1.00 0.00 C ATOM 0 HA PRO A 39 -2.821 -8.845 -8.895 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.203 -11.394 -8.173 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.444 -10.953 -9.690 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.230 -12.765 -8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.251 -11.602 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.269 -11.422 -6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.640 -11.145 -6.636 1.00 0.00 H new ATOM 586 N VAL A 40 -4.607 -9.363 -6.182 1.00 0.00 N ATOM 587 CA VAL A 40 -5.766 -8.863 -5.462 1.00 0.00 C ATOM 588 C VAL A 40 -5.525 -7.413 -5.092 1.00 0.00 C ATOM 589 O VAL A 40 -6.452 -6.612 -5.149 1.00 0.00 O ATOM 590 CB VAL A 40 -6.094 -9.643 -4.186 1.00 0.00 C ATOM 591 CG1 VAL A 40 -7.578 -9.440 -3.840 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.863 -11.127 -4.366 1.00 0.00 C ATOM 0 H VAL A 40 -4.033 -10.026 -5.660 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.619 -8.981 -6.131 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.443 -9.273 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.819 -9.993 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.773 -8.379 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.196 -9.804 -4.661 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.106 -11.648 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.498 -11.499 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.818 -11.305 -4.618 1.00 0.00 H new ATOM 602 N VAL A 41 -4.292 -7.082 -4.688 1.00 0.00 N ATOM 603 CA VAL A 41 -3.949 -5.713 -4.346 1.00 0.00 C ATOM 604 C VAL A 41 -4.360 -4.826 -5.531 1.00 0.00 C ATOM 605 O VAL A 41 -4.921 -3.749 -5.332 1.00 0.00 O ATOM 606 CB VAL A 41 -2.451 -5.572 -3.990 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.046 -4.113 -3.749 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.073 -6.369 -2.735 1.00 0.00 C ATOM 0 H VAL A 41 -3.524 -7.747 -4.593 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.485 -5.397 -3.451 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.919 -5.968 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.985 -4.066 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.235 -3.529 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.629 -3.705 -2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.011 -6.238 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.656 -6.010 -1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.283 -7.426 -2.898 1.00 0.00 H new ATOM 618 N ASP A 42 -4.118 -5.304 -6.758 1.00 0.00 N ATOM 619 CA ASP A 42 -4.534 -4.610 -7.969 1.00 0.00 C ATOM 620 C ASP A 42 -6.062 -4.605 -8.104 1.00 0.00 C ATOM 621 O ASP A 42 -6.671 -3.538 -8.196 1.00 0.00 O ATOM 622 CB ASP A 42 -3.921 -5.264 -9.218 1.00 0.00 C ATOM 623 CG ASP A 42 -2.397 -5.302 -9.215 1.00 0.00 C ATOM 624 OD1 ASP A 42 -1.795 -4.264 -8.866 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.851 -6.368 -9.570 1.00 0.00 O ATOM 0 H ASP A 42 -3.629 -6.182 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.178 -3.583 -7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.299 -6.283 -9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.259 -4.722 -10.102 1.00 0.00 H new ATOM 630 N GLU A 43 -6.698 -5.784 -8.142 1.00 0.00 N ATOM 631 CA GLU A 43 -8.129 -5.863 -8.420 1.00 0.00 C ATOM 632 C GLU A 43 -8.952 -5.050 -7.421 1.00 0.00 C ATOM 633 O GLU A 43 -9.817 -4.272 -7.822 1.00 0.00 O ATOM 634 CB GLU A 43 -8.594 -7.325 -8.502 1.00 0.00 C ATOM 635 CG GLU A 43 -9.086 -7.940 -7.183 1.00 0.00 C ATOM 636 CD GLU A 43 -9.316 -9.439 -7.319 1.00 0.00 C ATOM 637 OE1 GLU A 43 -8.304 -10.160 -7.464 1.00 0.00 O ATOM 638 OE2 GLU A 43 -10.500 -9.836 -7.276 1.00 0.00 O ATOM 0 H GLU A 43 -6.245 -6.684 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.301 -5.411 -9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.398 -7.391 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.769 -7.929 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.354 -7.753 -6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.013 -7.455 -6.877 1.00 0.00 H new ATOM 645 N ILE A 44 -8.675 -5.205 -6.123 1.00 0.00 N ATOM 646 CA ILE A 44 -9.403 -4.465 -5.096 1.00 0.00 C ATOM 647 C ILE A 44 -9.276 -2.965 -5.359 1.00 0.00 C ATOM 648 O ILE A 44 -10.240 -2.215 -5.191 1.00 0.00 O ATOM 649 CB ILE A 44 -8.914 -4.893 -3.697 1.00 0.00 C ATOM 650 CG1 ILE A 44 -9.719 -6.126 -3.250 1.00 0.00 C ATOM 651 CG2 ILE A 44 -9.043 -3.786 -2.650 1.00 0.00 C ATOM 652 CD1 ILE A 44 -11.139 -5.820 -2.747 1.00 0.00 C ATOM 0 H ILE A 44 -7.956 -5.833 -5.763 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.467 -4.699 -5.133 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.851 -5.123 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.787 -6.821 -4.087 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.169 -6.634 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.682 -4.151 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.450 -2.924 -2.957 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.089 -3.493 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.629 -6.748 -2.454 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.084 -5.152 -1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.712 -5.342 -3.542 1.00 0.00 H new ATOM 664 N ALA A 45 -8.103 -2.503 -5.798 1.00 0.00 N ATOM 665 CA ALA A 45 -7.928 -1.102 -6.146 1.00 0.00 C ATOM 666 C ALA A 45 -8.877 -0.743 -7.292 1.00 0.00 C ATOM 667 O ALA A 45 -9.525 0.307 -7.269 1.00 0.00 O ATOM 668 CB ALA A 45 -6.479 -0.857 -6.538 1.00 0.00 C ATOM 0 H ALA A 45 -7.269 -3.078 -5.918 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.165 -0.469 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.345 0.193 -6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.828 -1.108 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.224 -1.480 -7.395 1.00 0.00 H new ATOM 674 N GLY A 46 -8.962 -1.631 -8.288 1.00 0.00 N ATOM 675 CA GLY A 46 -9.886 -1.498 -9.401 1.00 0.00 C ATOM 676 C GLY A 46 -11.318 -1.344 -8.887 1.00 0.00 C ATOM 677 O GLY A 46 -12.013 -0.415 -9.294 1.00 0.00 O ATOM 0 H GLY A 46 -8.382 -2.468 -8.337 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.615 -0.633 -10.006 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.816 -2.373 -10.047 1.00 0.00 H new ATOM 681 N GLU A 47 -11.753 -2.238 -7.988 1.00 0.00 N ATOM 682 CA GLU A 47 -13.075 -2.185 -7.383 1.00 0.00 C ATOM 683 C GLU A 47 -13.328 -0.804 -6.790 1.00 0.00 C ATOM 684 O GLU A 47 -14.320 -0.152 -7.113 1.00 0.00 O ATOM 685 CB GLU A 47 -13.211 -3.251 -6.291 1.00 0.00 C ATOM 686 CG GLU A 47 -13.253 -4.676 -6.848 1.00 0.00 C ATOM 687 CD GLU A 47 -13.423 -5.698 -5.729 1.00 0.00 C ATOM 688 OE1 GLU A 47 -14.343 -5.476 -4.909 1.00 0.00 O ATOM 689 OE2 GLU A 47 -12.627 -6.662 -5.707 1.00 0.00 O ATOM 0 H GLU A 47 -11.186 -3.021 -7.663 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.815 -2.382 -8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.374 -3.162 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.120 -3.063 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.076 -4.768 -7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.334 -4.882 -7.397 1.00 0.00 H new ATOM 696 N TYR A 48 -12.413 -0.343 -5.938 1.00 0.00 N ATOM 697 CA TYR A 48 -12.534 0.945 -5.267 1.00 0.00 C ATOM 698 C TYR A 48 -12.071 2.106 -6.161 1.00 0.00 C ATOM 699 O TYR A 48 -11.277 2.970 -5.761 1.00 0.00 O ATOM 700 CB TYR A 48 -11.775 0.861 -3.938 1.00 0.00 C ATOM 701 CG TYR A 48 -12.324 -0.172 -2.961 1.00 0.00 C ATOM 702 CD1 TYR A 48 -13.704 -0.230 -2.680 1.00 0.00 C ATOM 703 CD2 TYR A 48 -11.451 -1.046 -2.286 1.00 0.00 C ATOM 704 CE1 TYR A 48 -14.193 -1.074 -1.671 1.00 0.00 C ATOM 705 CE2 TYR A 48 -11.947 -1.912 -1.294 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.305 -1.875 -0.936 1.00 0.00 C ATOM 707 OH TYR A 48 -13.761 -2.641 0.093 1.00 0.00 O ATOM 0 H TYR A 48 -11.566 -0.856 -5.695 1.00 0.00 H new ATOM 0 HA TYR A 48 -13.581 1.163 -5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.730 0.628 -4.145 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.794 1.841 -3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -14.391 0.381 -3.246 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.399 -1.052 -2.530 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -15.252 -1.107 -1.460 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -11.281 -2.608 -0.806 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.661 -2.347 0.345 1.00 0.00 H new ATOM 717 N LYS A 49 -12.629 2.115 -7.376 1.00 0.00 N ATOM 718 CA LYS A 49 -12.361 3.025 -8.474 1.00 0.00 C ATOM 719 C LYS A 49 -12.218 4.464 -7.986 1.00 0.00 C ATOM 720 O LYS A 49 -11.103 4.975 -7.907 1.00 0.00 O ATOM 721 CB LYS A 49 -13.468 2.860 -9.536 1.00 0.00 C ATOM 722 CG LYS A 49 -13.192 3.564 -10.880 1.00 0.00 C ATOM 723 CD LYS A 49 -13.430 5.085 -10.939 1.00 0.00 C ATOM 724 CE LYS A 49 -14.899 5.469 -10.707 1.00 0.00 C ATOM 725 NZ LYS A 49 -15.098 6.930 -10.758 1.00 0.00 N ATOM 0 H LYS A 49 -13.337 1.426 -7.629 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.404 2.778 -8.933 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.615 1.796 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -14.403 3.244 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.155 3.373 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -13.815 3.095 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.809 5.574 -10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.111 5.460 -11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.523 4.991 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.225 5.091 -9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.985 7.142 -11.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -15.146 7.308 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.303 7.371 -11.262 1.00 0.00 H new ATOM 739 N ASP A 50 -13.342 5.082 -7.635 1.00 0.00 N ATOM 740 CA ASP A 50 -13.450 6.502 -7.337 1.00 0.00 C ATOM 741 C ASP A 50 -12.540 7.006 -6.223 1.00 0.00 C ATOM 742 O ASP A 50 -11.769 7.942 -6.417 1.00 0.00 O ATOM 743 CB ASP A 50 -14.904 6.812 -6.970 1.00 0.00 C ATOM 744 CG ASP A 50 -15.161 8.311 -7.041 1.00 0.00 C ATOM 745 OD1 ASP A 50 -15.314 8.796 -8.183 1.00 0.00 O ATOM 746 OD2 ASP A 50 -15.195 8.933 -5.958 1.00 0.00 O ATOM 0 H ASP A 50 -14.231 4.589 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.123 7.023 -8.237 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.577 6.289 -7.649 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -15.118 6.447 -5.965 1.00 0.00 H new ATOM 751 N LYS A 51 -12.627 6.372 -5.058 1.00 0.00 N ATOM 752 CA LYS A 51 -12.032 6.928 -3.858 1.00 0.00 C ATOM 753 C LYS A 51 -10.531 6.763 -3.714 1.00 0.00 C ATOM 754 O LYS A 51 -9.874 7.668 -3.209 1.00 0.00 O ATOM 755 CB LYS A 51 -12.630 6.259 -2.601 1.00 0.00 C ATOM 756 CG LYS A 51 -12.848 4.736 -2.628 1.00 0.00 C ATOM 757 CD LYS A 51 -13.143 4.284 -1.191 1.00 0.00 C ATOM 758 CE LYS A 51 -13.380 2.775 -1.078 1.00 0.00 C ATOM 759 NZ LYS A 51 -13.743 2.402 0.299 1.00 0.00 N ATOM 0 H LYS A 51 -13.101 5.479 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.253 7.991 -3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.978 6.488 -1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.591 6.730 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -13.677 4.479 -3.288 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.964 4.229 -3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.308 4.565 -0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.021 4.813 -0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.174 2.475 -1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.481 2.238 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.816 1.367 0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.012 2.744 0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.658 2.831 0.545 1.00 0.00 H new ATOM 773 N LEU A 52 -10.008 5.598 -4.079 1.00 0.00 N ATOM 774 CA LEU A 52 -8.773 5.168 -3.440 1.00 0.00 C ATOM 775 C LEU A 52 -7.709 4.674 -4.402 1.00 0.00 C ATOM 776 O LEU A 52 -7.975 3.810 -5.233 1.00 0.00 O ATOM 777 CB LEU A 52 -9.287 4.084 -2.497 1.00 0.00 C ATOM 778 CG LEU A 52 -8.335 3.268 -1.635 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.488 4.095 -0.672 1.00 0.00 C ATOM 780 CD2 LEU A 52 -9.305 2.394 -0.825 1.00 0.00 C ATOM 0 H LEU A 52 -10.396 4.964 -4.777 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.243 5.979 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.997 4.561 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.851 3.376 -3.104 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.606 2.739 -2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.839 3.433 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.878 4.800 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.140 4.643 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.739 1.748 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.969 3.032 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.897 1.781 -1.505 1.00 0.00 H new ATOM 792 N LYS A 53 -6.497 5.210 -4.289 1.00 0.00 N ATOM 793 CA LYS A 53 -5.377 4.736 -5.084 1.00 0.00 C ATOM 794 C LYS A 53 -4.817 3.518 -4.367 1.00 0.00 C ATOM 795 O LYS A 53 -5.107 3.296 -3.192 1.00 0.00 O ATOM 796 CB LYS A 53 -4.336 5.850 -5.227 1.00 0.00 C ATOM 797 CG LYS A 53 -3.113 5.522 -6.101 1.00 0.00 C ATOM 798 CD LYS A 53 -3.425 5.032 -7.525 1.00 0.00 C ATOM 799 CE LYS A 53 -4.138 6.082 -8.385 1.00 0.00 C ATOM 800 NZ LYS A 53 -3.331 7.304 -8.550 1.00 0.00 N ATOM 0 H LYS A 53 -6.269 5.974 -3.653 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.680 4.460 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.829 6.729 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.984 6.121 -4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.490 6.414 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.522 4.759 -5.595 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.495 4.743 -8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.046 4.138 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.358 5.659 -9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.093 6.338 -7.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.778 7.922 -9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.270 7.805 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.375 7.048 -8.869 1.00 0.00 H new ATOM 814 N CYS A 54 -4.022 2.721 -5.069 1.00 0.00 N ATOM 815 CA CYS A 54 -3.348 1.583 -4.495 1.00 0.00 C ATOM 816 C CYS A 54 -1.984 1.511 -5.144 1.00 0.00 C ATOM 817 O CYS A 54 -1.836 1.917 -6.300 1.00 0.00 O ATOM 818 CB CYS A 54 -4.149 0.320 -4.740 1.00 0.00 C ATOM 819 SG CYS A 54 -3.290 -1.076 -4.001 1.00 0.00 S ATOM 0 H CYS A 54 -3.831 2.855 -6.062 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.245 1.683 -3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.146 0.418 -4.310 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.278 0.158 -5.810 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.552 -0.659 -3.015 1.00 0.00 H new ATOM 825 N VAL A 55 -0.974 1.080 -4.399 1.00 0.00 N ATOM 826 CA VAL A 55 0.377 1.078 -4.920 1.00 0.00 C ATOM 827 C VAL A 55 1.191 -0.035 -4.287 1.00 0.00 C ATOM 828 O VAL A 55 0.777 -0.643 -3.302 1.00 0.00 O ATOM 829 CB VAL A 55 1.045 2.454 -4.705 1.00 0.00 C ATOM 830 CG1 VAL A 55 1.521 2.999 -6.054 1.00 0.00 C ATOM 831 CG2 VAL A 55 0.145 3.512 -4.057 1.00 0.00 C ATOM 0 H VAL A 55 -1.067 0.732 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 55 0.335 0.892 -5.993 1.00 0.00 H new ATOM 0 HB VAL A 55 1.867 2.274 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.993 3.970 -5.908 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.241 2.308 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.668 3.108 -6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.700 4.444 -3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.728 3.682 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.178 3.164 -3.076 1.00 0.00 H new ATOM 841 N LYS A 56 2.365 -0.282 -4.861 1.00 0.00 N ATOM 842 CA LYS A 56 3.283 -1.312 -4.428 1.00 0.00 C ATOM 843 C LYS A 56 4.706 -0.747 -4.461 1.00 0.00 C ATOM 844 O LYS A 56 5.234 -0.450 -5.535 1.00 0.00 O ATOM 845 CB LYS A 56 3.079 -2.533 -5.334 1.00 0.00 C ATOM 846 CG LYS A 56 2.108 -3.512 -4.657 1.00 0.00 C ATOM 847 CD LYS A 56 1.752 -4.713 -5.537 1.00 0.00 C ATOM 848 CE LYS A 56 0.823 -4.313 -6.690 1.00 0.00 C ATOM 849 NZ LYS A 56 0.338 -5.491 -7.426 1.00 0.00 N ATOM 0 H LYS A 56 2.707 0.248 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 56 3.101 -1.633 -3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.683 -2.221 -6.301 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.034 -3.023 -5.524 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.552 -3.869 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.194 -2.981 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.664 -5.153 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.270 -5.479 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.026 -3.753 -6.297 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.354 -3.649 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.116 -5.185 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.139 -6.117 -7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.353 -6.005 -6.842 1.00 0.00 H new ATOM 863 N LEU A 57 5.322 -0.582 -3.286 1.00 0.00 N ATOM 864 CA LEU A 57 6.678 -0.060 -3.136 1.00 0.00 C ATOM 865 C LEU A 57 7.658 -1.215 -2.966 1.00 0.00 C ATOM 866 O LEU A 57 7.534 -2.017 -2.041 1.00 0.00 O ATOM 867 CB LEU A 57 6.741 0.903 -1.940 1.00 0.00 C ATOM 868 CG LEU A 57 8.142 1.461 -1.651 1.00 0.00 C ATOM 869 CD1 LEU A 57 8.725 2.146 -2.887 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.046 2.509 -0.542 1.00 0.00 C ATOM 0 H LEU A 57 4.880 -0.813 -2.396 1.00 0.00 H new ATOM 0 HA LEU A 57 6.956 0.496 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.062 1.736 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.379 0.385 -1.052 1.00 0.00 H new ATOM 0 HG LEU A 57 8.783 0.630 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.718 2.532 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.797 1.426 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.076 2.969 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.038 2.909 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.389 3.318 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.642 2.049 0.360 1.00 0.00 H new ATOM 882 N ASN A 58 8.632 -1.321 -3.874 1.00 0.00 N ATOM 883 CA ASN A 58 9.643 -2.359 -3.764 1.00 0.00 C ATOM 884 C ASN A 58 10.594 -1.990 -2.623 1.00 0.00 C ATOM 885 O ASN A 58 11.377 -1.049 -2.721 1.00 0.00 O ATOM 886 CB ASN A 58 10.373 -2.554 -5.091 1.00 0.00 C ATOM 887 CG ASN A 58 11.332 -3.736 -4.977 1.00 0.00 C ATOM 888 OD1 ASN A 58 12.222 -3.747 -4.133 1.00 0.00 O ATOM 889 ND2 ASN A 58 11.144 -4.765 -5.794 1.00 0.00 N ATOM 0 H ASN A 58 8.736 -0.706 -4.681 1.00 0.00 H new ATOM 0 HA ASN A 58 9.176 -3.317 -3.534 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.654 -2.731 -5.891 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.923 -1.650 -5.352 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.746 -5.586 -5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.398 -4.735 -6.489 1.00 0.00 H new ATOM 896 N THR A 59 10.514 -2.752 -1.537 1.00 0.00 N ATOM 897 CA THR A 59 11.232 -2.506 -0.295 1.00 0.00 C ATOM 898 C THR A 59 12.739 -2.697 -0.483 1.00 0.00 C ATOM 899 O THR A 59 13.536 -1.971 0.102 1.00 0.00 O ATOM 900 CB THR A 59 10.656 -3.444 0.779 1.00 0.00 C ATOM 901 OG1 THR A 59 9.245 -3.325 0.794 1.00 0.00 O ATOM 902 CG2 THR A 59 11.163 -3.101 2.180 1.00 0.00 C ATOM 0 H THR A 59 9.927 -3.585 -1.498 1.00 0.00 H new ATOM 0 HA THR A 59 11.098 -1.472 0.023 1.00 0.00 H new ATOM 0 HB THR A 59 10.976 -4.455 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.859 -3.926 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.728 -3.791 2.903 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.249 -3.186 2.205 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.873 -2.081 2.432 1.00 0.00 H new ATOM 910 N ASP A 60 13.126 -3.665 -1.316 1.00 0.00 N ATOM 911 CA ASP A 60 14.520 -3.990 -1.604 1.00 0.00 C ATOM 912 C ASP A 60 15.187 -2.816 -2.332 1.00 0.00 C ATOM 913 O ASP A 60 16.331 -2.455 -2.072 1.00 0.00 O ATOM 914 CB ASP A 60 14.532 -5.264 -2.460 1.00 0.00 C ATOM 915 CG ASP A 60 15.827 -6.058 -2.344 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.909 -5.460 -2.531 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.698 -7.272 -2.066 1.00 0.00 O ATOM 0 H ASP A 60 12.464 -4.256 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 60 15.083 -4.163 -0.687 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.697 -5.899 -2.164 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.373 -4.993 -3.504 1.00 0.00 H new ATOM 922 N GLU A 61 14.418 -2.213 -3.242 1.00 0.00 N ATOM 923 CA GLU A 61 14.803 -1.078 -4.066 1.00 0.00 C ATOM 924 C GLU A 61 14.696 0.249 -3.303 1.00 0.00 C ATOM 925 O GLU A 61 15.465 1.170 -3.564 1.00 0.00 O ATOM 926 CB GLU A 61 13.869 -1.050 -5.279 1.00 0.00 C ATOM 927 CG GLU A 61 14.372 -0.117 -6.380 1.00 0.00 C ATOM 928 CD GLU A 61 13.301 0.069 -7.446 1.00 0.00 C ATOM 929 OE1 GLU A 61 12.362 0.842 -7.151 1.00 0.00 O ATOM 930 OE2 GLU A 61 13.426 -0.569 -8.512 1.00 0.00 O ATOM 0 H GLU A 61 13.464 -2.523 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 61 15.845 -1.191 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.768 -2.059 -5.679 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.876 -0.732 -4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 61 14.641 0.849 -5.953 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.275 -0.529 -6.830 1.00 0.00 H new ATOM 937 N SER A 62 13.722 0.361 -2.393 1.00 0.00 N ATOM 938 CA SER A 62 13.421 1.555 -1.615 1.00 0.00 C ATOM 939 C SER A 62 13.527 1.297 -0.102 1.00 0.00 C ATOM 940 O SER A 62 12.585 1.603 0.636 1.00 0.00 O ATOM 941 CB SER A 62 12.014 2.013 -1.995 1.00 0.00 C ATOM 942 OG SER A 62 11.722 3.243 -1.367 1.00 0.00 O ATOM 0 H SER A 62 13.098 -0.415 -2.173 1.00 0.00 H new ATOM 0 HA SER A 62 14.151 2.332 -1.842 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.937 2.120 -3.077 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.284 1.260 -1.697 1.00 0.00 H new ATOM 0 HG SER A 62 11.904 3.171 -0.407 1.00 0.00 H new ATOM 948 N PRO A 63 14.679 0.807 0.380 1.00 0.00 N ATOM 949 CA PRO A 63 14.928 0.552 1.785 1.00 0.00 C ATOM 950 C PRO A 63 14.903 1.855 2.580 1.00 0.00 C ATOM 951 O PRO A 63 14.658 1.837 3.780 1.00 0.00 O ATOM 952 CB PRO A 63 16.312 -0.097 1.856 1.00 0.00 C ATOM 953 CG PRO A 63 17.014 0.413 0.600 1.00 0.00 C ATOM 954 CD PRO A 63 15.863 0.507 -0.397 1.00 0.00 C ATOM 0 HA PRO A 63 14.163 -0.095 2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.846 0.196 2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 63 16.245 -1.185 1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 63 17.491 1.380 0.764 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.791 -0.272 0.261 1.00 0.00 H new ATOM 0 HD2 PRO A 63 16.051 1.286 -1.136 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.744 -0.429 -0.943 1.00 0.00 H new ATOM 962 N ASN A 64 15.175 2.981 1.915 1.00 0.00 N ATOM 963 CA ASN A 64 15.201 4.305 2.534 1.00 0.00 C ATOM 964 C ASN A 64 13.880 4.563 3.259 1.00 0.00 C ATOM 965 O ASN A 64 13.825 4.609 4.489 1.00 0.00 O ATOM 966 CB ASN A 64 15.457 5.384 1.468 1.00 0.00 C ATOM 967 CG ASN A 64 16.851 5.305 0.849 1.00 0.00 C ATOM 968 OD1 ASN A 64 17.752 4.665 1.380 1.00 0.00 O ATOM 969 ND2 ASN A 64 17.038 5.939 -0.303 1.00 0.00 N ATOM 0 H ASN A 64 15.386 2.997 0.917 1.00 0.00 H new ATOM 0 HA ASN A 64 16.012 4.345 3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 64 14.711 5.289 0.679 1.00 0.00 H new ATOM 0 HB3 ASN A 64 15.322 6.368 1.917 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.946 5.900 -0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 64 16.273 6.465 -0.726 1.00 0.00 H new ATOM 976 N VAL A 65 12.808 4.688 2.477 1.00 0.00 N ATOM 977 CA VAL A 65 11.461 4.928 2.969 1.00 0.00 C ATOM 978 C VAL A 65 11.113 3.873 4.012 1.00 0.00 C ATOM 979 O VAL A 65 10.673 4.187 5.115 1.00 0.00 O ATOM 980 CB VAL A 65 10.488 4.886 1.783 1.00 0.00 C ATOM 981 CG1 VAL A 65 9.043 5.089 2.240 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.852 5.973 0.767 1.00 0.00 C ATOM 0 H VAL A 65 12.858 4.623 1.460 1.00 0.00 H new ATOM 0 HA VAL A 65 11.390 5.908 3.442 1.00 0.00 H new ATOM 0 HB VAL A 65 10.571 3.902 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.380 5.054 1.376 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.769 4.300 2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.949 6.058 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.156 5.935 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.793 6.951 1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.866 5.807 0.404 1.00 0.00 H new ATOM 992 N ALA A 66 11.320 2.613 3.637 1.00 0.00 N ATOM 993 CA ALA A 66 11.068 1.472 4.499 1.00 0.00 C ATOM 994 C ALA A 66 11.691 1.676 5.886 1.00 0.00 C ATOM 995 O ALA A 66 11.020 1.483 6.896 1.00 0.00 O ATOM 996 CB ALA A 66 11.612 0.210 3.830 1.00 0.00 C ATOM 0 H ALA A 66 11.672 2.358 2.714 1.00 0.00 H new ATOM 0 HA ALA A 66 9.993 1.365 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.426 -0.651 4.472 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.114 0.063 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.685 0.317 3.668 1.00 0.00 H new ATOM 1002 N SER A 67 12.959 2.087 5.942 1.00 0.00 N ATOM 1003 CA SER A 67 13.660 2.327 7.194 1.00 0.00 C ATOM 1004 C SER A 67 13.048 3.513 7.934 1.00 0.00 C ATOM 1005 O SER A 67 12.802 3.430 9.134 1.00 0.00 O ATOM 1006 CB SER A 67 15.150 2.567 6.930 1.00 0.00 C ATOM 1007 OG SER A 67 15.714 1.447 6.279 1.00 0.00 O ATOM 0 H SER A 67 13.527 2.262 5.113 1.00 0.00 H new ATOM 0 HA SER A 67 13.557 1.443 7.824 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.280 3.458 6.316 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.669 2.750 7.871 1.00 0.00 H new ATOM 0 HG SER A 67 15.491 1.477 5.325 1.00 0.00 H new ATOM 1013 N GLU A 68 12.806 4.613 7.218 1.00 0.00 N ATOM 1014 CA GLU A 68 12.226 5.824 7.791 1.00 0.00 C ATOM 1015 C GLU A 68 10.892 5.520 8.482 1.00 0.00 C ATOM 1016 O GLU A 68 10.649 5.991 9.591 1.00 0.00 O ATOM 1017 CB GLU A 68 12.033 6.876 6.691 1.00 0.00 C ATOM 1018 CG GLU A 68 13.374 7.414 6.174 1.00 0.00 C ATOM 1019 CD GLU A 68 13.186 8.203 4.882 1.00 0.00 C ATOM 1020 OE1 GLU A 68 12.576 9.290 4.967 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.646 7.702 3.832 1.00 0.00 O ATOM 0 H GLU A 68 13.008 4.687 6.221 1.00 0.00 H new ATOM 0 HA GLU A 68 12.910 6.215 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.474 6.438 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.435 7.701 7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.830 8.052 6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.060 6.585 6.001 1.00 0.00 H new ATOM 1028 N TYR A 69 10.025 4.744 7.828 1.00 0.00 N ATOM 1029 CA TYR A 69 8.719 4.390 8.375 1.00 0.00 C ATOM 1030 C TYR A 69 8.829 3.259 9.404 1.00 0.00 C ATOM 1031 O TYR A 69 8.028 3.203 10.334 1.00 0.00 O ATOM 1032 CB TYR A 69 7.772 4.027 7.227 1.00 0.00 C ATOM 1033 CG TYR A 69 7.104 5.254 6.631 1.00 0.00 C ATOM 1034 CD1 TYR A 69 5.997 5.826 7.288 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.743 5.970 5.602 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.560 7.119 6.946 1.00 0.00 C ATOM 1037 CE2 TYR A 69 7.294 7.253 5.248 1.00 0.00 C ATOM 1038 CZ TYR A 69 6.225 7.840 5.939 1.00 0.00 C ATOM 1039 OH TYR A 69 5.860 9.121 5.653 1.00 0.00 O ATOM 0 H TYR A 69 10.210 4.346 6.907 1.00 0.00 H new ATOM 0 HA TYR A 69 8.310 5.249 8.907 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.329 3.504 6.450 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.009 3.339 7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.482 5.270 8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.582 5.531 5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.715 7.557 7.456 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.773 7.788 4.442 1.00 0.00 H new ATOM 0 HH TYR A 69 6.425 9.469 4.932 1.00 0.00 H new ATOM 1049 N GLY A 70 9.796 2.356 9.242 1.00 0.00 N ATOM 1050 CA GLY A 70 10.055 1.272 10.182 1.00 0.00 C ATOM 1051 C GLY A 70 9.386 -0.025 9.742 1.00 0.00 C ATOM 1052 O GLY A 70 8.797 -0.748 10.546 1.00 0.00 O ATOM 0 H GLY A 70 10.429 2.359 8.442 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.130 1.116 10.270 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.691 1.552 11.171 1.00 0.00 H new ATOM 1056 N ILE A 71 9.492 -0.338 8.452 1.00 0.00 N ATOM 1057 CA ILE A 71 8.946 -1.555 7.880 1.00 0.00 C ATOM 1058 C ILE A 71 9.842 -2.710 8.336 1.00 0.00 C ATOM 1059 O ILE A 71 10.804 -3.081 7.665 1.00 0.00 O ATOM 1060 CB ILE A 71 8.881 -1.416 6.351 1.00 0.00 C ATOM 1061 CG1 ILE A 71 8.121 -0.148 5.919 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.234 -2.658 5.725 1.00 0.00 C ATOM 1063 CD1 ILE A 71 6.627 -0.126 6.243 1.00 0.00 C ATOM 0 H ILE A 71 9.966 0.257 7.772 1.00 0.00 H new ATOM 0 HA ILE A 71 7.927 -1.749 8.216 1.00 0.00 H new ATOM 0 HB ILE A 71 9.906 -1.326 5.991 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.590 0.714 6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.242 -0.023 4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.196 -2.542 4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.823 -3.540 5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.222 -2.776 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.193 0.811 5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.134 -0.961 5.745 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.487 -0.213 7.320 1.00 0.00 H new ATOM 1075 N ARG A 72 9.494 -3.311 9.474 1.00 0.00 N ATOM 1076 CA ARG A 72 10.308 -4.345 10.100 1.00 0.00 C ATOM 1077 C ARG A 72 10.144 -5.693 9.386 1.00 0.00 C ATOM 1078 O ARG A 72 10.997 -6.571 9.511 1.00 0.00 O ATOM 1079 CB ARG A 72 9.895 -4.441 11.577 1.00 0.00 C ATOM 1080 CG ARG A 72 10.794 -5.380 12.391 1.00 0.00 C ATOM 1081 CD ARG A 72 10.413 -5.323 13.875 1.00 0.00 C ATOM 1082 NE ARG A 72 11.231 -6.245 14.676 1.00 0.00 N ATOM 1083 CZ ARG A 72 12.483 -6.010 15.096 1.00 0.00 C ATOM 1084 NH1 ARG A 72 13.105 -4.871 14.776 1.00 0.00 N ATOM 1085 NH2 ARG A 72 13.108 -6.927 15.841 1.00 0.00 N ATOM 0 H ARG A 72 8.639 -3.092 9.985 1.00 0.00 H new ATOM 0 HA ARG A 72 11.363 -4.083 10.025 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.921 -3.446 12.021 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.864 -4.790 11.638 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.695 -6.401 12.022 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.839 -5.095 12.265 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.540 -4.306 14.246 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.359 -5.575 13.991 1.00 0.00 H new ATOM 0 HE ARG A 72 10.811 -7.138 14.934 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.627 -4.171 14.208 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.057 -4.701 15.100 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.633 -7.796 16.085 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.060 -6.758 16.165 1.00 0.00 H new ATOM 1099 N SER A 73 9.058 -5.883 8.635 1.00 0.00 N ATOM 1100 CA SER A 73 8.800 -7.075 7.844 1.00 0.00 C ATOM 1101 C SER A 73 7.839 -6.667 6.731 1.00 0.00 C ATOM 1102 O SER A 73 7.249 -5.592 6.817 1.00 0.00 O ATOM 1103 CB SER A 73 8.199 -8.184 8.717 1.00 0.00 C ATOM 1104 OG SER A 73 9.035 -8.477 9.822 1.00 0.00 O ATOM 0 H SER A 73 8.315 -5.188 8.562 1.00 0.00 H new ATOM 0 HA SER A 73 9.723 -7.474 7.424 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.216 -7.877 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.055 -9.083 8.118 1.00 0.00 H new ATOM 0 HG SER A 73 8.627 -9.186 10.362 1.00 0.00 H new ATOM 1110 N ILE A 74 7.690 -7.502 5.700 1.00 0.00 N ATOM 1111 CA ILE A 74 6.784 -7.250 4.585 1.00 0.00 C ATOM 1112 C ILE A 74 5.924 -8.504 4.372 1.00 0.00 C ATOM 1113 O ILE A 74 6.363 -9.586 4.761 1.00 0.00 O ATOM 1114 CB ILE A 74 7.566 -6.834 3.327 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.683 -7.804 2.932 1.00 0.00 C ATOM 1116 CG2 ILE A 74 8.123 -5.419 3.540 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.162 -7.448 1.522 1.00 0.00 C ATOM 0 H ILE A 74 8.202 -8.380 5.618 1.00 0.00 H new ATOM 0 HA ILE A 74 6.122 -6.414 4.808 1.00 0.00 H new ATOM 0 HB ILE A 74 6.867 -6.855 2.491 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.509 -7.738 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.320 -8.831 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.680 -5.110 2.656 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.299 -4.726 3.710 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.785 -5.415 4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.959 -8.130 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.331 -7.535 0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.538 -6.425 1.513 1.00 0.00 H new ATOM 1129 N PRO A 75 4.702 -8.403 3.819 1.00 0.00 N ATOM 1130 CA PRO A 75 4.047 -7.188 3.357 1.00 0.00 C ATOM 1131 C PRO A 75 3.692 -6.254 4.515 1.00 0.00 C ATOM 1132 O PRO A 75 3.771 -6.620 5.693 1.00 0.00 O ATOM 1133 CB PRO A 75 2.781 -7.650 2.629 1.00 0.00 C ATOM 1134 CG PRO A 75 2.427 -8.932 3.374 1.00 0.00 C ATOM 1135 CD PRO A 75 3.799 -9.534 3.682 1.00 0.00 C ATOM 0 HA PRO A 75 4.708 -6.617 2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.983 -6.910 2.691 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.964 -7.832 1.570 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.861 -8.729 4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 75 1.820 -9.600 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.771 -10.126 4.597 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.123 -10.200 2.882 1.00 0.00 H new ATOM 1143 N THR A 76 3.375 -5.011 4.169 1.00 0.00 N ATOM 1144 CA THR A 76 2.932 -3.995 5.099 1.00 0.00 C ATOM 1145 C THR A 76 2.153 -3.000 4.253 1.00 0.00 C ATOM 1146 O THR A 76 2.724 -2.376 3.361 1.00 0.00 O ATOM 1147 CB THR A 76 4.114 -3.369 5.860 1.00 0.00 C ATOM 1148 OG1 THR A 76 4.575 -4.270 6.847 1.00 0.00 O ATOM 1149 CG2 THR A 76 3.717 -2.072 6.571 1.00 0.00 C ATOM 0 H THR A 76 3.423 -4.680 3.205 1.00 0.00 H new ATOM 0 HA THR A 76 2.301 -4.398 5.891 1.00 0.00 H new ATOM 0 HB THR A 76 4.887 -3.151 5.123 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.316 -5.183 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.582 -1.665 7.095 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.364 -1.348 5.837 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.922 -2.279 7.288 1.00 0.00 H new ATOM 1157 N ILE A 77 0.845 -2.910 4.487 1.00 0.00 N ATOM 1158 CA ILE A 77 -0.063 -2.072 3.731 1.00 0.00 C ATOM 1159 C ILE A 77 -0.315 -0.823 4.557 1.00 0.00 C ATOM 1160 O ILE A 77 -0.882 -0.923 5.642 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.372 -2.832 3.435 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -1.159 -4.031 2.490 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.378 -1.885 2.766 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -0.565 -5.275 3.161 1.00 0.00 C ATOM 0 H ILE A 77 0.382 -3.435 5.229 1.00 0.00 H new ATOM 0 HA ILE A 77 0.365 -1.798 2.767 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.742 -3.202 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.116 -4.298 2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.501 -3.724 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.302 -2.424 2.558 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.588 -1.048 3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.959 -1.509 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.450 -6.067 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.409 -5.030 3.584 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.231 -5.613 3.955 1.00 0.00 H new ATOM 1176 N MET A 78 0.110 0.339 4.061 1.00 0.00 N ATOM 1177 CA MET A 78 -0.120 1.617 4.706 1.00 0.00 C ATOM 1178 C MET A 78 -1.090 2.420 3.853 1.00 0.00 C ATOM 1179 O MET A 78 -0.949 2.482 2.629 1.00 0.00 O ATOM 1180 CB MET A 78 1.190 2.382 4.877 1.00 0.00 C ATOM 1181 CG MET A 78 2.104 1.732 5.915 1.00 0.00 C ATOM 1182 SD MET A 78 3.550 2.725 6.364 1.00 0.00 S ATOM 1183 CE MET A 78 4.039 1.877 7.881 1.00 0.00 C ATOM 0 H MET A 78 0.631 0.412 3.187 1.00 0.00 H new ATOM 0 HA MET A 78 -0.541 1.453 5.698 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.708 2.432 3.919 1.00 0.00 H new ATOM 0 HB3 MET A 78 0.974 3.408 5.176 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.524 1.529 6.815 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.444 0.770 5.531 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.923 2.359 8.299 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.224 1.924 8.603 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.266 0.834 7.658 1.00 0.00 H new ATOM 1193 N VAL A 79 -2.078 3.032 4.505 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.041 3.885 3.832 1.00 0.00 C ATOM 1195 C VAL A 79 -2.621 5.317 4.136 1.00 0.00 C ATOM 1196 O VAL A 79 -2.623 5.707 5.301 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.475 3.595 4.301 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.464 4.475 3.523 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.841 2.118 4.087 1.00 0.00 C ATOM 0 H VAL A 79 -2.228 2.947 5.510 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.047 3.703 2.757 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.532 3.818 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.480 4.266 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.233 5.526 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.383 4.259 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.861 1.943 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.766 1.874 3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.156 1.488 4.654 1.00 0.00 H new ATOM 1209 N PHE A 80 -2.234 6.077 3.113 1.00 0.00 N ATOM 1210 CA PHE A 80 -1.820 7.470 3.224 1.00 0.00 C ATOM 1211 C PHE A 80 -2.851 8.365 2.550 1.00 0.00 C ATOM 1212 O PHE A 80 -3.653 7.886 1.752 1.00 0.00 O ATOM 1213 CB PHE A 80 -0.474 7.667 2.518 1.00 0.00 C ATOM 1214 CG PHE A 80 0.742 7.177 3.277 1.00 0.00 C ATOM 1215 CD1 PHE A 80 1.089 5.816 3.251 1.00 0.00 C ATOM 1216 CD2 PHE A 80 1.623 8.109 3.856 1.00 0.00 C ATOM 1217 CE1 PHE A 80 2.342 5.402 3.736 1.00 0.00 C ATOM 1218 CE2 PHE A 80 2.844 7.682 4.402 1.00 0.00 C ATOM 1219 CZ PHE A 80 3.205 6.326 4.343 1.00 0.00 C ATOM 0 H PHE A 80 -2.200 5.727 2.155 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.731 7.728 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.510 7.155 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.346 8.729 2.309 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.394 5.088 2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.359 9.156 3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.641 4.369 3.641 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.506 8.397 4.868 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.144 5.996 4.763 1.00 0.00 H new ATOM 1229 N LYS A 81 -2.818 9.661 2.866 1.00 0.00 N ATOM 1230 CA LYS A 81 -3.629 10.691 2.230 1.00 0.00 C ATOM 1231 C LYS A 81 -3.041 12.053 2.608 1.00 0.00 C ATOM 1232 O LYS A 81 -2.428 12.173 3.666 1.00 0.00 O ATOM 1233 CB LYS A 81 -5.108 10.589 2.660 1.00 0.00 C ATOM 1234 CG LYS A 81 -5.475 11.186 4.030 1.00 0.00 C ATOM 1235 CD LYS A 81 -4.680 10.573 5.191 1.00 0.00 C ATOM 1236 CE LYS A 81 -5.272 10.933 6.557 1.00 0.00 C ATOM 1237 NZ LYS A 81 -5.404 12.390 6.735 1.00 0.00 N ATOM 0 H LYS A 81 -2.206 10.030 3.594 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.609 10.560 1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.717 11.080 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -5.389 9.536 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.302 12.262 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.540 11.038 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.659 9.489 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -3.647 10.918 5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.251 10.465 6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.638 10.527 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.679 12.596 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.494 12.849 6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.132 12.754 6.088 1.00 0.00 H new ATOM 1251 N GLY A 82 -3.189 13.081 1.770 1.00 0.00 N ATOM 1252 CA GLY A 82 -2.833 14.443 2.148 1.00 0.00 C ATOM 1253 C GLY A 82 -1.478 14.614 2.844 1.00 0.00 C ATOM 1254 O GLY A 82 -1.392 15.305 3.857 1.00 0.00 O ATOM 0 H GLY A 82 -3.555 12.992 0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.839 15.061 1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.609 14.831 2.807 1.00 0.00 H new ATOM 1258 N GLY A 83 -0.419 13.986 2.331 1.00 0.00 N ATOM 1259 CA GLY A 83 0.921 14.112 2.889 1.00 0.00 C ATOM 1260 C GLY A 83 1.154 13.339 4.188 1.00 0.00 C ATOM 1261 O GLY A 83 2.268 13.394 4.704 1.00 0.00 O ATOM 0 H GLY A 83 -0.470 13.375 1.515 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.642 13.770 2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.126 15.167 3.070 1.00 0.00 H new ATOM 1265 N LYS A 84 0.160 12.614 4.717 1.00 0.00 N ATOM 1266 CA LYS A 84 0.276 11.904 5.986 1.00 0.00 C ATOM 1267 C LYS A 84 -0.171 10.449 5.868 1.00 0.00 C ATOM 1268 O LYS A 84 -0.893 10.065 4.947 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.572 12.613 7.054 1.00 0.00 C ATOM 1270 CG LYS A 84 -0.254 14.105 7.229 1.00 0.00 C ATOM 1271 CD LYS A 84 1.156 14.339 7.797 1.00 0.00 C ATOM 1272 CE LYS A 84 1.495 15.833 7.858 1.00 0.00 C ATOM 1273 NZ LYS A 84 0.563 16.581 8.719 1.00 0.00 N ATOM 0 H LYS A 84 -0.750 12.506 4.270 1.00 0.00 H new ATOM 0 HA LYS A 84 1.327 11.910 6.273 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.625 12.507 6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.427 12.109 8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.344 14.609 6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.991 14.556 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.223 13.908 8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.890 13.823 7.177 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.511 15.958 8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.471 16.250 6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.907 17.555 8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.379 16.598 8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.502 16.118 9.648 1.00 0.00 H new ATOM 1287 N LYS A 85 0.296 9.644 6.824 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.015 8.234 6.974 1.00 0.00 C ATOM 1289 C LYS A 85 -1.244 8.115 7.874 1.00 0.00 C ATOM 1290 O LYS A 85 -1.322 8.816 8.882 1.00 0.00 O ATOM 1291 CB LYS A 85 1.187 7.529 7.616 1.00 0.00 C ATOM 1292 CG LYS A 85 1.072 5.998 7.550 1.00 0.00 C ATOM 1293 CD LYS A 85 1.549 5.324 8.844 1.00 0.00 C ATOM 1294 CE LYS A 85 0.428 5.168 9.886 1.00 0.00 C ATOM 1295 NZ LYS A 85 -0.001 6.444 10.485 1.00 0.00 N ATOM 0 H LYS A 85 0.932 9.981 7.547 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.221 7.771 6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.101 7.844 7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.273 7.840 8.657 1.00 0.00 H new ATOM 0 HG2 LYS A 85 0.035 5.721 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.661 5.627 6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.957 4.341 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.360 5.910 9.275 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.431 4.690 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 85 0.769 4.501 10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.253 6.292 11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.775 7.134 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.828 6.808 9.970 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.178 7.222 7.544 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.383 6.978 8.324 1.00 0.00 C ATOM 1311 C CYS A 86 -3.355 5.557 8.892 1.00 0.00 C ATOM 1312 O CYS A 86 -2.957 5.372 10.040 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.615 7.238 7.455 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.091 6.889 8.435 1.00 0.00 S ATOM 0 H CYS A 86 -2.113 6.639 6.710 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.430 7.662 9.172 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.625 8.272 7.111 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.592 6.607 6.567 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.151 7.106 7.715 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.743 4.552 8.099 1.00 0.00 N ATOM 1321 CA GLU A 87 -3.804 3.162 8.545 1.00 0.00 C ATOM 1322 C GLU A 87 -2.497 2.432 8.233 1.00 0.00 C ATOM 1323 O GLU A 87 -1.702 2.890 7.410 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.975 2.436 7.867 1.00 0.00 C ATOM 1325 CG GLU A 87 -6.270 3.262 7.796 1.00 0.00 C ATOM 1326 CD GLU A 87 -6.959 3.472 9.145 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -6.449 2.939 10.155 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -8.012 4.145 9.135 1.00 0.00 O ATOM 0 H GLU A 87 -4.024 4.684 7.127 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.956 3.161 9.624 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.679 2.157 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.176 1.511 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.042 4.236 7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.966 2.767 7.119 1.00 0.00 H new ATOM 1335 N THR A 88 -2.282 1.279 8.874 1.00 0.00 N ATOM 1336 CA THR A 88 -1.100 0.441 8.705 1.00 0.00 C ATOM 1337 C THR A 88 -1.418 -0.996 9.121 1.00 0.00 C ATOM 1338 O THR A 88 -1.824 -1.222 10.256 1.00 0.00 O ATOM 1339 CB THR A 88 0.054 1.002 9.555 1.00 0.00 C ATOM 1340 OG1 THR A 88 0.498 2.227 9.013 1.00 0.00 O ATOM 1341 CG2 THR A 88 1.262 0.061 9.608 1.00 0.00 C ATOM 0 H THR A 88 -2.948 0.895 9.544 1.00 0.00 H new ATOM 0 HA THR A 88 -0.801 0.442 7.657 1.00 0.00 H new ATOM 0 HB THR A 88 -0.341 1.126 10.563 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.119 2.515 8.308 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.045 0.508 10.221 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.962 -0.893 10.042 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.640 -0.103 8.599 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.229 -1.953 8.213 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.370 -3.386 8.425 1.00 0.00 C ATOM 1351 C ILE A 89 0.013 -3.948 8.135 1.00 0.00 C ATOM 1352 O ILE A 89 0.638 -3.510 7.173 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.406 -3.999 7.468 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.640 -3.092 7.396 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -2.778 -5.411 7.944 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.684 -3.575 6.390 1.00 0.00 C ATOM 0 H ILE A 89 -0.958 -1.732 7.255 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.719 -3.613 9.432 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.984 -4.079 6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.097 -3.032 8.384 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -3.326 -2.083 7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.512 -5.843 7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.886 -6.037 7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.201 -5.357 8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.532 -2.890 6.388 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.242 -3.608 5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.024 -4.572 6.669 1.00 0.00 H new ATOM 1368 N ILE A 90 0.489 -4.878 8.956 1.00 0.00 N ATOM 1369 CA ILE A 90 1.829 -5.460 8.865 1.00 0.00 C ATOM 1370 C ILE A 90 1.732 -6.984 8.885 1.00 0.00 C ATOM 1371 O ILE A 90 0.902 -7.535 9.606 1.00 0.00 O ATOM 1372 CB ILE A 90 2.685 -4.953 10.052 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.933 -3.437 9.934 1.00 0.00 C ATOM 1374 CG2 ILE A 90 4.040 -5.681 10.117 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.448 -2.804 11.230 1.00 0.00 C ATOM 0 H ILE A 90 -0.060 -5.260 9.726 1.00 0.00 H new ATOM 0 HA ILE A 90 2.302 -5.157 7.931 1.00 0.00 H new ATOM 0 HB ILE A 90 2.128 -5.163 10.965 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.654 -3.255 9.137 1.00 0.00 H new ATOM 0 HG13 ILE A 90 2.005 -2.946 9.642 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.617 -5.302 10.961 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.873 -6.751 10.243 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.592 -5.506 9.193 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.601 -1.736 11.077 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.717 -2.956 12.024 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.392 -3.270 11.512 1.00 0.00 H new ATOM 1387 N GLY A 91 2.600 -7.653 8.118 1.00 0.00 N ATOM 1388 CA GLY A 91 2.703 -9.103 8.112 1.00 0.00 C ATOM 1389 C GLY A 91 1.802 -9.743 7.063 1.00 0.00 C ATOM 1390 O GLY A 91 0.924 -9.097 6.494 1.00 0.00 O ATOM 0 H GLY A 91 3.252 -7.193 7.482 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.737 -9.391 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.440 -9.488 9.097 1.00 0.00 H new ATOM 1394 N ALA A 92 2.054 -11.024 6.787 1.00 0.00 N ATOM 1395 CA ALA A 92 1.303 -11.792 5.809 1.00 0.00 C ATOM 1396 C ALA A 92 -0.146 -11.965 6.267 1.00 0.00 C ATOM 1397 O ALA A 92 -0.395 -12.365 7.403 1.00 0.00 O ATOM 1398 CB ALA A 92 1.968 -13.158 5.626 1.00 0.00 C ATOM 0 H ALA A 92 2.794 -11.557 7.244 1.00 0.00 H new ATOM 0 HA ALA A 92 1.298 -11.260 4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 92 1.409 -13.740 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.991 -13.021 5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.978 -13.688 6.578 1.00 0.00 H new ATOM 1404 N VAL A 93 -1.094 -11.684 5.373 1.00 0.00 N ATOM 1405 CA VAL A 93 -2.522 -11.841 5.594 1.00 0.00 C ATOM 1406 C VAL A 93 -3.132 -12.193 4.241 1.00 0.00 C ATOM 1407 O VAL A 93 -2.569 -11.792 3.221 1.00 0.00 O ATOM 1408 CB VAL A 93 -3.195 -10.532 6.063 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -4.047 -10.731 7.309 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -2.245 -9.348 6.286 1.00 0.00 C ATOM 0 H VAL A 93 -0.875 -11.328 4.443 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.676 -12.598 6.363 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.830 -10.268 5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.498 -9.781 7.597 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.833 -11.457 7.100 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.421 -11.098 8.123 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.817 -8.480 6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.512 -9.609 7.049 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.731 -9.114 5.354 1.00 0.00 H new ATOM 1420 N PRO A 94 -4.274 -12.893 4.191 1.00 0.00 N ATOM 1421 CA PRO A 94 -5.000 -13.051 2.958 1.00 0.00 C ATOM 1422 C PRO A 94 -5.645 -11.693 2.712 1.00 0.00 C ATOM 1423 O PRO A 94 -6.163 -11.073 3.645 1.00 0.00 O ATOM 1424 CB PRO A 94 -6.053 -14.135 3.187 1.00 0.00 C ATOM 1425 CG PRO A 94 -5.729 -14.684 4.584 1.00 0.00 C ATOM 1426 CD PRO A 94 -5.027 -13.505 5.260 1.00 0.00 C ATOM 0 HA PRO A 94 -4.387 -13.345 2.106 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.062 -13.726 3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.993 -14.915 2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.630 -14.979 5.121 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.086 -15.562 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.744 -12.808 5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.376 -13.837 6.069 1.00 0.00 H new ATOM 1434 N LYS A 95 -5.643 -11.233 1.466 1.00 0.00 N ATOM 1435 CA LYS A 95 -6.142 -9.905 1.163 1.00 0.00 C ATOM 1436 C LYS A 95 -7.579 -9.751 1.657 1.00 0.00 C ATOM 1437 O LYS A 95 -7.931 -8.678 2.121 1.00 0.00 O ATOM 1438 CB LYS A 95 -6.012 -9.615 -0.340 1.00 0.00 C ATOM 1439 CG LYS A 95 -6.400 -8.174 -0.721 1.00 0.00 C ATOM 1440 CD LYS A 95 -5.298 -7.140 -0.468 1.00 0.00 C ATOM 1441 CE LYS A 95 -5.860 -5.745 -0.774 1.00 0.00 C ATOM 1442 NZ LYS A 95 -4.835 -4.695 -0.648 1.00 0.00 N ATOM 0 H LYS A 95 -5.304 -11.757 0.659 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.537 -9.166 1.689 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.984 -9.801 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.643 -10.311 -0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.671 -8.149 -1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.288 -7.888 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.959 -7.193 0.567 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.433 -7.346 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.268 -5.733 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.684 -5.530 -0.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -5.186 -3.941 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -3.968 -5.103 -0.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.627 -4.299 -1.587 1.00 0.00 H new ATOM 1456 N ALA A 96 -8.402 -10.804 1.629 1.00 0.00 N ATOM 1457 CA ALA A 96 -9.762 -10.761 2.170 1.00 0.00 C ATOM 1458 C ALA A 96 -9.815 -10.104 3.564 1.00 0.00 C ATOM 1459 O ALA A 96 -10.766 -9.388 3.886 1.00 0.00 O ATOM 1460 CB ALA A 96 -10.313 -12.188 2.241 1.00 0.00 C ATOM 0 H ALA A 96 -8.144 -11.707 1.232 1.00 0.00 H new ATOM 0 HA ALA A 96 -10.373 -10.149 1.506 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.326 -12.167 2.643 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.328 -12.622 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -9.678 -12.791 2.889 1.00 0.00 H new ATOM 1466 N THR A 97 -8.805 -10.344 4.406 1.00 0.00 N ATOM 1467 CA THR A 97 -8.727 -9.735 5.730 1.00 0.00 C ATOM 1468 C THR A 97 -8.421 -8.241 5.583 1.00 0.00 C ATOM 1469 O THR A 97 -8.999 -7.402 6.275 1.00 0.00 O ATOM 1470 CB THR A 97 -7.654 -10.458 6.556 1.00 0.00 C ATOM 1471 OG1 THR A 97 -7.952 -11.839 6.587 1.00 0.00 O ATOM 1472 CG2 THR A 97 -7.606 -9.952 8.000 1.00 0.00 C ATOM 0 H THR A 97 -8.024 -10.963 4.187 1.00 0.00 H new ATOM 0 HA THR A 97 -9.678 -9.833 6.253 1.00 0.00 H new ATOM 0 HB THR A 97 -6.689 -10.265 6.087 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.369 -12.285 7.236 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.833 -10.490 8.549 1.00 0.00 H new ATOM 0 HG22 THR A 97 -7.378 -8.886 8.005 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.572 -10.119 8.476 1.00 0.00 H new ATOM 1480 N ILE A 98 -7.514 -7.897 4.668 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.156 -6.518 4.383 1.00 0.00 C ATOM 1482 C ILE A 98 -8.405 -5.784 3.873 1.00 0.00 C ATOM 1483 O ILE A 98 -8.680 -4.679 4.331 1.00 0.00 O ATOM 1484 CB ILE A 98 -5.956 -6.476 3.412 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -4.698 -6.964 4.159 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -5.754 -5.043 2.891 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -3.510 -7.265 3.239 1.00 0.00 C ATOM 0 H ILE A 98 -7.006 -8.577 4.102 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.824 -5.997 5.281 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.144 -7.125 2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.401 -6.207 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -4.947 -7.864 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.906 -5.021 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.652 -4.717 2.367 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.561 -4.375 3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.663 -7.603 3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.788 -8.045 2.530 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.233 -6.362 2.695 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.191 -6.385 2.971 1.00 0.00 N ATOM 1500 CA VAL A 99 -10.428 -5.785 2.485 1.00 0.00 C ATOM 1501 C VAL A 99 -11.301 -5.441 3.690 1.00 0.00 C ATOM 1502 O VAL A 99 -11.666 -4.284 3.864 1.00 0.00 O ATOM 1503 CB VAL A 99 -11.165 -6.722 1.508 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -12.456 -6.064 1.002 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -10.288 -7.049 0.296 1.00 0.00 C ATOM 0 H VAL A 99 -8.984 -7.296 2.563 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.198 -4.877 1.927 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.398 -7.638 2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.963 -6.740 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.110 -5.849 1.847 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.213 -5.135 0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -10.831 -7.712 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.033 -6.128 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.374 -7.541 0.630 1.00 0.00 H new ATOM 1515 N GLN A 100 -11.598 -6.421 4.549 1.00 0.00 N ATOM 1516 CA GLN A 100 -12.392 -6.185 5.754 1.00 0.00 C ATOM 1517 C GLN A 100 -11.803 -5.032 6.577 1.00 0.00 C ATOM 1518 O GLN A 100 -12.535 -4.162 7.053 1.00 0.00 O ATOM 1519 CB GLN A 100 -12.462 -7.479 6.569 1.00 0.00 C ATOM 1520 CG GLN A 100 -13.418 -8.459 5.884 1.00 0.00 C ATOM 1521 CD GLN A 100 -13.280 -9.863 6.455 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -14.026 -10.268 7.339 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -12.315 -10.618 5.943 1.00 0.00 N ATOM 0 H GLN A 100 -11.298 -7.389 4.429 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.404 -5.892 5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.470 -7.922 6.655 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -12.805 -7.266 7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.445 -8.114 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.215 -8.479 4.813 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.713 -10.247 5.208 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.176 -11.569 6.285 1.00 0.00 H new ATOM 1532 N THR A 101 -10.476 -5.019 6.724 1.00 0.00 N ATOM 1533 CA THR A 101 -9.775 -3.957 7.437 1.00 0.00 C ATOM 1534 C THR A 101 -10.060 -2.602 6.770 1.00 0.00 C ATOM 1535 O THR A 101 -10.261 -1.616 7.469 1.00 0.00 O ATOM 1536 CB THR A 101 -8.271 -4.259 7.528 1.00 0.00 C ATOM 1537 OG1 THR A 101 -8.077 -5.536 8.103 1.00 0.00 O ATOM 1538 CG2 THR A 101 -7.558 -3.230 8.409 1.00 0.00 C ATOM 0 H THR A 101 -9.862 -5.744 6.352 1.00 0.00 H new ATOM 0 HA THR A 101 -10.146 -3.906 8.461 1.00 0.00 H new ATOM 0 HB THR A 101 -7.860 -4.221 6.519 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.320 -6.228 7.453 1.00 0.00 H new ATOM 0 HG21 THR A 101 -6.495 -3.466 8.457 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.690 -2.235 7.985 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.981 -3.255 9.413 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.099 -2.522 5.436 1.00 0.00 N ATOM 1547 CA VAL A 102 -10.461 -1.277 4.764 1.00 0.00 C ATOM 1548 C VAL A 102 -11.920 -0.943 5.087 1.00 0.00 C ATOM 1549 O VAL A 102 -12.226 0.167 5.523 1.00 0.00 O ATOM 1550 CB VAL A 102 -10.235 -1.378 3.242 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -10.725 -0.118 2.515 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -8.749 -1.551 2.913 1.00 0.00 C ATOM 0 H VAL A 102 -9.886 -3.298 4.809 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.820 -0.474 5.127 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.801 -2.247 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.550 -0.224 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -11.791 0.015 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -10.182 0.751 2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -8.621 -1.619 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -8.191 -0.695 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -8.376 -2.462 3.381 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.813 -1.915 4.895 1.00 0.00 N ATOM 1563 CA GLU A 103 -14.245 -1.748 5.064 1.00 0.00 C ATOM 1564 C GLU A 103 -14.615 -1.138 6.409 1.00 0.00 C ATOM 1565 O GLU A 103 -15.413 -0.207 6.459 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.963 -3.085 4.868 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.743 -3.655 3.456 1.00 0.00 C ATOM 1568 CD GLU A 103 -16.016 -4.210 2.815 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -17.075 -3.557 2.946 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.911 -5.307 2.224 1.00 0.00 O ATOM 0 H GLU A 103 -12.548 -2.858 4.612 1.00 0.00 H new ATOM 0 HA GLU A 103 -14.573 -1.044 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.605 -3.801 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -16.031 -2.952 5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.336 -2.872 2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.996 -4.447 3.505 1.00 0.00 H new ATOM 1577 N LYS A 104 -14.044 -1.652 7.500 1.00 0.00 N ATOM 1578 CA LYS A 104 -14.352 -1.118 8.826 1.00 0.00 C ATOM 1579 C LYS A 104 -14.041 0.385 8.925 1.00 0.00 C ATOM 1580 O LYS A 104 -14.624 1.066 9.766 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.616 -1.903 9.922 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.100 -1.917 9.730 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.280 -2.051 11.018 1.00 0.00 C ATOM 1584 CE LYS A 104 -11.415 -3.414 11.710 1.00 0.00 C ATOM 1585 NZ LYS A 104 -12.698 -3.562 12.419 1.00 0.00 N ATOM 0 H LYS A 104 -13.377 -2.424 7.493 1.00 0.00 H new ATOM 0 HA LYS A 104 -15.424 -1.239 8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.850 -1.467 10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -13.984 -2.929 9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.842 -2.742 9.066 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -11.805 -0.997 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.229 -1.876 10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.587 -1.271 11.714 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.321 -4.206 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -10.596 -3.541 12.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.576 -4.205 13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -13.015 -2.632 12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.410 -3.953 11.770 1.00 0.00 H new ATOM 1599 N TYR A 105 -13.110 0.899 8.110 1.00 0.00 N ATOM 1600 CA TYR A 105 -12.753 2.307 8.109 1.00 0.00 C ATOM 1601 C TYR A 105 -13.632 3.062 7.107 1.00 0.00 C ATOM 1602 O TYR A 105 -14.219 4.084 7.454 1.00 0.00 O ATOM 1603 CB TYR A 105 -11.267 2.479 7.755 1.00 0.00 C ATOM 1604 CG TYR A 105 -10.266 1.633 8.519 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -10.340 1.516 9.920 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -9.150 1.114 7.837 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -9.330 0.839 10.625 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -8.137 0.445 8.543 1.00 0.00 C ATOM 1609 CZ TYR A 105 -8.234 0.295 9.934 1.00 0.00 C ATOM 1610 OH TYR A 105 -7.251 -0.367 10.607 1.00 0.00 O ATOM 0 H TYR A 105 -12.587 0.341 7.435 1.00 0.00 H new ATOM 0 HA TYR A 105 -12.919 2.718 9.105 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -11.147 2.266 6.693 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -11.005 3.527 7.902 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -11.174 1.947 10.454 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.072 1.231 6.766 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -9.396 0.737 11.698 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.284 0.046 8.015 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.572 -0.677 9.972 1.00 0.00 H new ATOM 1620 N LEU A 106 -13.680 2.583 5.858 1.00 0.00 N ATOM 1621 CA LEU A 106 -14.436 3.193 4.770 1.00 0.00 C ATOM 1622 C LEU A 106 -15.589 2.270 4.356 1.00 0.00 C ATOM 1623 O LEU A 106 -16.693 2.379 4.884 1.00 0.00 O ATOM 1624 CB LEU A 106 -13.503 3.499 3.580 1.00 0.00 C ATOM 1625 CG LEU A 106 -12.611 4.745 3.731 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -11.468 4.554 4.734 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -12.006 5.084 2.363 1.00 0.00 C ATOM 0 H LEU A 106 -13.180 1.740 5.574 1.00 0.00 H new ATOM 0 HA LEU A 106 -14.863 4.137 5.109 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.861 2.634 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.114 3.619 2.685 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.243 5.548 4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.878 5.469 4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.881 4.325 5.717 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.831 3.732 4.407 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.371 5.965 2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -11.410 4.242 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.806 5.286 1.651 1.00 0.00 H new ATOM 1639 N ASN A 107 -15.339 1.404 3.372 1.00 0.00 N ATOM 1640 CA ASN A 107 -16.240 0.435 2.767 1.00 0.00 C ATOM 1641 C ASN A 107 -15.336 -0.370 1.827 1.00 0.00 C ATOM 1642 O ASN A 107 -14.171 0.061 1.671 1.00 0.00 O ATOM 1643 CB ASN A 107 -17.368 1.133 1.987 1.00 0.00 C ATOM 1644 CG ASN A 107 -18.590 0.241 1.749 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -19.721 0.684 1.920 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -18.406 -1.011 1.348 1.00 0.00 N ATOM 1647 OXT ASN A 107 -15.787 -1.385 1.253 1.00 0.00 O ATOM 0 H ASN A 107 -14.415 1.364 2.943 1.00 0.00 H new ATOM 0 HA ASN A 107 -16.740 -0.190 3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -17.679 2.024 2.533 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -16.980 1.468 1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -19.210 -1.616 1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -17.461 -1.368 1.209 1.00 0.00 H new TER 1654 ASN A 107