USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 565 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 7 CYS SG : rot -27:sc= 0.479 USER MOD Set 1.2: A 12 CYS SG : rot 119:sc= -9.57! USER MOD Set 1.3: A 62 CYS SG : rot -166:sc= -5.93! USER MOD Set 1.4: A 65 HIS : no HD1:sc= -17.4! C(o=-32!,f=-31!) USER MOD Set 2.1: A 42 SER OG : rot 137:sc= -1.6! USER MOD Set 2.2: A 59 HIS : no HD1:sc= -11.7! C(o=-13!,f=-19!) USER MOD Set 3.1: A 40 ASN : amide:sc= -2.88! K(o=-5.8!,f=0.064) USER MOD Set 3.2: A 79 THR OG1 : rot 149:sc= -2.89! USER MOD Single : A 6 THR OG1 : rot 153:sc= 0.423 USER MOD Single : A 8 CYS SG : rot -125:sc= -0.204! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -7.33! C(o=-7.3!,f=-9.7!) USER MOD Single : A 15 ASN : amide:sc= -6.93! C(o=-6.9!,f=-20!) USER MOD Single : A 16 SER OG : rot 180:sc= -2.44! USER MOD Single : A 17 HIS : no HD1:sc= -3.94! C(o=-3.9!,f=-2.5!) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0.7 (180deg=0.627) USER MOD Single : A 23 HIS : no HD1:sc= -0.026 X(o=-0.026,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= -0.771 (180deg=-2.83!) USER MOD Single : A 52 THR OG1 : rot -14:sc= 0.806 USER MOD Single : A 54 GLN : amide:sc= -4.71! C(o=-4.7!,f=-4.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.56 K(o=-1.6,f=-7.1!) USER MOD Single : A 71 LYS NZ :NH3+ -136:sc=-0.00201 (180deg=-0.252) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N GLY A 4 4.022 13.006 -0.311 1.00 0.00 N ATOM 36 CA GLY A 4 3.088 11.915 -0.537 1.00 0.00 C ATOM 37 C GLY A 4 3.791 10.592 -0.855 1.00 0.00 C ATOM 38 O GLY A 4 5.019 10.522 -0.801 1.00 0.00 O ATOM 0 HA2 GLY A 4 2.464 11.787 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.423 12.176 -1.361 1.00 0.00 H new ATOM 42 N PHE A 5 3.024 9.530 -1.158 1.00 0.00 N ATOM 43 CA PHE A 5 3.617 8.222 -1.446 1.00 0.00 C ATOM 44 C PHE A 5 2.932 7.471 -2.610 1.00 0.00 C ATOM 45 O PHE A 5 3.591 6.783 -3.381 1.00 0.00 O ATOM 46 CB PHE A 5 3.566 7.368 -0.176 1.00 0.00 C ATOM 47 CG PHE A 5 4.567 7.775 0.873 1.00 0.00 C ATOM 48 CD1 PHE A 5 5.823 8.244 0.518 1.00 0.00 C ATOM 49 CD2 PHE A 5 4.245 7.690 2.219 1.00 0.00 C ATOM 50 CE1 PHE A 5 6.737 8.621 1.485 1.00 0.00 C ATOM 51 CE2 PHE A 5 5.154 8.066 3.189 1.00 0.00 C ATOM 52 CZ PHE A 5 6.403 8.532 2.821 1.00 0.00 C ATOM 0 H PHE A 5 2.006 9.555 -1.208 1.00 0.00 H new ATOM 0 HA PHE A 5 4.645 8.398 -1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.564 7.427 0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.738 6.326 -0.444 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.090 8.316 -0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.272 7.325 2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.712 8.985 1.195 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.889 7.996 4.234 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.116 8.826 3.578 1.00 0.00 H new ATOM 62 N THR A 6 1.614 7.587 -2.716 1.00 0.00 N ATOM 63 CA THR A 6 0.831 6.902 -3.757 1.00 0.00 C ATOM 64 C THR A 6 0.601 5.426 -3.399 1.00 0.00 C ATOM 65 O THR A 6 1.518 4.615 -3.487 1.00 0.00 O ATOM 66 CB THR A 6 1.522 7.002 -5.119 1.00 0.00 C ATOM 67 OG1 THR A 6 2.201 8.239 -5.251 1.00 0.00 O ATOM 68 CG2 THR A 6 0.564 6.874 -6.285 1.00 0.00 C ATOM 0 H THR A 6 1.050 8.157 -2.086 1.00 0.00 H new ATOM 0 HA THR A 6 -0.136 7.401 -3.816 1.00 0.00 H new ATOM 0 HB THR A 6 2.221 6.166 -5.150 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.954 8.134 -5.869 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.117 6.954 -7.221 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.064 5.907 -6.240 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.179 7.670 -6.234 1.00 0.00 H new ATOM 76 N CYS A 7 -0.634 5.080 -2.997 1.00 0.00 N ATOM 77 CA CYS A 7 -0.969 3.698 -2.637 1.00 0.00 C ATOM 78 C CYS A 7 -1.296 2.920 -3.903 1.00 0.00 C ATOM 79 O CYS A 7 -1.772 1.787 -3.837 1.00 0.00 O ATOM 80 CB CYS A 7 -2.170 3.608 -1.638 1.00 0.00 C ATOM 81 SG CYS A 7 -2.954 1.961 -1.594 1.00 0.00 S ATOM 0 H CYS A 7 -1.410 5.736 -2.915 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.103 3.269 -2.133 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.821 3.863 -0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.918 4.351 -1.913 1.00 0.00 H new ATOM 0 HG CYS A 7 -2.773 1.364 -2.735 1.00 0.00 H new ATOM 86 N CYS A 8 -1.088 3.530 -5.070 1.00 0.00 N ATOM 87 CA CYS A 8 -1.440 2.856 -6.300 1.00 0.00 C ATOM 88 C CYS A 8 -2.924 2.520 -6.185 1.00 0.00 C ATOM 89 O CYS A 8 -3.416 1.517 -6.692 1.00 0.00 O ATOM 90 CB CYS A 8 -0.568 1.610 -6.467 1.00 0.00 C ATOM 91 SG CYS A 8 -1.114 0.455 -7.750 1.00 0.00 S ATOM 0 H CYS A 8 -0.689 4.462 -5.180 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.268 3.471 -7.183 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.450 1.926 -6.694 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.532 1.081 -5.515 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.262 -0.729 -7.234 1.00 0.00 H new ATOM 97 N VAL A 9 -3.599 3.404 -5.449 1.00 0.00 N ATOM 98 CA VAL A 9 -5.017 3.312 -5.140 1.00 0.00 C ATOM 99 C VAL A 9 -5.859 3.659 -6.361 1.00 0.00 C ATOM 100 O VAL A 9 -6.036 4.830 -6.697 1.00 0.00 O ATOM 101 CB VAL A 9 -5.325 4.289 -3.963 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.579 5.583 -4.168 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.805 4.587 -3.766 1.00 0.00 C ATOM 0 H VAL A 9 -3.156 4.227 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.267 2.291 -4.851 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.992 3.780 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.797 6.263 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.508 5.384 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.893 6.039 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.930 5.273 -2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.208 5.042 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.338 3.660 -3.557 1.00 0.00 H new ATOM 113 N PRO A 10 -6.407 2.633 -7.039 1.00 0.00 N ATOM 114 CA PRO A 10 -7.245 2.827 -8.214 1.00 0.00 C ATOM 115 C PRO A 10 -8.659 3.181 -7.805 1.00 0.00 C ATOM 116 O PRO A 10 -9.392 3.840 -8.542 1.00 0.00 O ATOM 117 CB PRO A 10 -7.204 1.462 -8.893 1.00 0.00 C ATOM 118 CG PRO A 10 -7.076 0.497 -7.766 1.00 0.00 C ATOM 119 CD PRO A 10 -6.269 1.197 -6.700 1.00 0.00 C ATOM 0 HA PRO A 10 -6.906 3.638 -8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.108 1.279 -9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.362 1.385 -9.581 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.057 0.210 -7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.580 -0.418 -8.091 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.653 0.983 -5.702 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.226 0.881 -6.715 1.00 0.00 H new ATOM 127 N GLY A 11 -9.031 2.737 -6.610 1.00 0.00 N ATOM 128 CA GLY A 11 -10.349 3.013 -6.105 1.00 0.00 C ATOM 129 C GLY A 11 -10.524 2.659 -4.639 1.00 0.00 C ATOM 130 O GLY A 11 -11.659 2.590 -4.168 1.00 0.00 O ATOM 0 H GLY A 11 -8.437 2.190 -5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.568 4.072 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.079 2.457 -6.694 1.00 0.00 H new ATOM 134 N CYS A 12 -9.429 2.434 -3.891 1.00 0.00 N ATOM 135 CA CYS A 12 -9.598 2.101 -2.482 1.00 0.00 C ATOM 136 C CYS A 12 -10.191 3.305 -1.728 1.00 0.00 C ATOM 137 O CYS A 12 -11.079 3.978 -2.250 1.00 0.00 O ATOM 138 CB CYS A 12 -8.329 1.521 -1.783 1.00 0.00 C ATOM 139 SG CYS A 12 -6.697 1.919 -2.472 1.00 0.00 S ATOM 0 H CYS A 12 -8.466 2.475 -4.225 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.304 1.272 -2.444 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.341 1.856 -0.746 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.426 0.435 -1.769 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.997 2.564 -1.586 1.00 0.00 H new ATOM 144 N TYR A 13 -9.763 3.542 -0.491 1.00 0.00 N ATOM 145 CA TYR A 13 -10.330 4.618 0.314 1.00 0.00 C ATOM 146 C TYR A 13 -9.503 5.896 0.265 1.00 0.00 C ATOM 147 O TYR A 13 -10.017 6.994 0.053 1.00 0.00 O ATOM 148 CB TYR A 13 -10.451 4.140 1.761 1.00 0.00 C ATOM 149 CG TYR A 13 -11.578 4.790 2.541 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.136 5.997 2.134 1.00 0.00 C ATOM 151 CD2 TYR A 13 -12.087 4.188 3.686 1.00 0.00 C ATOM 152 CE1 TYR A 13 -13.167 6.583 2.845 1.00 0.00 C ATOM 153 CE2 TYR A 13 -13.117 4.768 4.402 1.00 0.00 C ATOM 154 CZ TYR A 13 -13.652 5.965 3.978 1.00 0.00 C ATOM 155 OH TYR A 13 -14.679 6.545 4.687 1.00 0.00 O ATOM 0 H TYR A 13 -9.029 3.006 -0.027 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.308 4.860 -0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.599 3.060 1.763 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.510 4.334 2.275 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.758 6.485 1.248 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -11.670 3.250 4.022 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.590 7.520 2.515 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.501 4.286 5.289 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.904 5.982 5.457 1.00 0.00 H new ATOM 165 N ASN A 14 -8.233 5.727 0.539 1.00 0.00 N ATOM 166 CA ASN A 14 -7.267 6.810 0.630 1.00 0.00 C ATOM 167 C ASN A 14 -6.082 6.598 -0.326 1.00 0.00 C ATOM 168 O ASN A 14 -5.826 5.472 -0.728 1.00 0.00 O ATOM 169 CB ASN A 14 -6.762 6.940 2.050 1.00 0.00 C ATOM 170 CG ASN A 14 -7.399 5.941 3.001 1.00 0.00 C ATOM 171 OD1 ASN A 14 -6.714 5.112 3.600 1.00 0.00 O ATOM 172 ND2 ASN A 14 -8.716 6.021 3.140 1.00 0.00 N ATOM 0 H ASN A 14 -7.825 4.808 0.711 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.775 7.729 0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.681 6.803 2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.958 7.950 2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -9.203 5.378 3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.242 6.725 2.622 1.00 0.00 H new ATOM 179 N ASN A 15 -5.352 7.651 -0.717 1.00 0.00 N ATOM 180 CA ASN A 15 -4.225 7.446 -1.613 1.00 0.00 C ATOM 181 C ASN A 15 -2.937 7.669 -0.794 1.00 0.00 C ATOM 182 O ASN A 15 -3.019 8.235 0.297 1.00 0.00 O ATOM 183 CB ASN A 15 -4.301 8.433 -2.774 1.00 0.00 C ATOM 184 CG ASN A 15 -3.233 8.218 -3.828 1.00 0.00 C ATOM 185 OD1 ASN A 15 -2.044 8.182 -3.524 1.00 0.00 O ATOM 186 ND2 ASN A 15 -3.657 8.090 -5.079 1.00 0.00 N ATOM 0 H ASN A 15 -5.518 8.617 -0.435 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.236 6.439 -2.030 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.282 8.354 -3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.215 9.447 -2.383 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.985 7.955 -5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.655 8.126 -5.285 1.00 0.00 H new ATOM 193 N SER A 16 -1.758 7.203 -1.253 1.00 0.00 N ATOM 194 CA SER A 16 -0.564 7.362 -0.466 1.00 0.00 C ATOM 195 C SER A 16 0.151 8.706 -0.762 1.00 0.00 C ATOM 196 O SER A 16 1.164 8.994 -0.135 1.00 0.00 O ATOM 197 CB SER A 16 0.360 6.099 -0.651 1.00 0.00 C ATOM 198 OG SER A 16 1.202 5.918 0.474 1.00 0.00 O ATOM 0 H SER A 16 -1.629 6.727 -2.146 1.00 0.00 H new ATOM 0 HA SER A 16 -0.832 7.418 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.256 5.211 -0.796 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.967 6.216 -1.549 1.00 0.00 H new ATOM 0 HG SER A 16 1.765 5.128 0.337 1.00 0.00 H new ATOM 204 N HIS A 17 -0.383 9.549 -1.698 1.00 0.00 N ATOM 205 CA HIS A 17 0.234 10.849 -2.032 1.00 0.00 C ATOM 206 C HIS A 17 -0.825 11.871 -2.497 1.00 0.00 C ATOM 207 O HIS A 17 -0.713 12.444 -3.579 1.00 0.00 O ATOM 208 CB HIS A 17 1.334 10.679 -3.120 1.00 0.00 C ATOM 209 CG HIS A 17 1.616 11.905 -3.941 1.00 0.00 C ATOM 210 ND1 HIS A 17 1.693 11.887 -5.319 1.00 0.00 N ATOM 211 CD2 HIS A 17 1.846 13.190 -3.572 1.00 0.00 C ATOM 212 CE1 HIS A 17 1.959 13.104 -5.759 1.00 0.00 C ATOM 213 NE2 HIS A 17 2.056 13.911 -4.721 1.00 0.00 N ATOM 0 H HIS A 17 -1.232 9.343 -2.224 1.00 0.00 H new ATOM 0 HA HIS A 17 0.700 11.233 -1.124 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.258 10.366 -2.634 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.038 9.872 -3.791 1.00 0.00 H new ATOM 0 HD2 HIS A 17 1.861 13.574 -2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.077 13.389 -6.794 1.00 0.00 H new ATOM 0 HE2 HIS A 17 2.255 14.910 -4.765 1.00 0.00 H new ATOM 222 N ARG A 18 -1.852 12.112 -1.681 1.00 0.00 N ATOM 223 CA ARG A 18 -2.887 13.084 -2.047 1.00 0.00 C ATOM 224 C ARG A 18 -3.873 13.344 -0.900 1.00 0.00 C ATOM 225 O ARG A 18 -4.880 14.027 -1.084 1.00 0.00 O ATOM 226 CB ARG A 18 -3.640 12.630 -3.299 1.00 0.00 C ATOM 227 CG ARG A 18 -4.583 11.470 -3.061 1.00 0.00 C ATOM 228 CD ARG A 18 -6.034 11.882 -3.234 1.00 0.00 C ATOM 229 NE ARG A 18 -6.922 10.727 -3.336 1.00 0.00 N ATOM 230 CZ ARG A 18 -6.979 9.926 -4.397 1.00 0.00 C ATOM 231 NH1 ARG A 18 -6.199 10.149 -5.448 1.00 0.00 N ATOM 232 NH2 ARG A 18 -7.814 8.896 -4.409 1.00 0.00 N ATOM 0 H ARG A 18 -1.990 11.658 -0.778 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.377 14.024 -2.259 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.208 13.472 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.916 12.346 -4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.349 10.662 -3.754 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.433 11.080 -2.054 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.339 12.500 -2.389 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.132 12.495 -4.130 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.535 10.522 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.552 10.937 -5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.247 9.532 -6.259 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.414 8.717 -3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.856 8.283 -5.223 1.00 0.00 H new ATOM 246 N ASP A 19 -3.571 12.811 0.278 1.00 0.00 N ATOM 247 CA ASP A 19 -4.421 12.998 1.455 1.00 0.00 C ATOM 248 C ASP A 19 -3.624 12.811 2.735 1.00 0.00 C ATOM 249 O ASP A 19 -3.325 13.775 3.437 1.00 0.00 O ATOM 250 CB ASP A 19 -5.630 12.059 1.429 1.00 0.00 C ATOM 251 CG ASP A 19 -6.270 11.952 0.060 1.00 0.00 C ATOM 252 OD1 ASP A 19 -6.980 12.900 -0.337 1.00 0.00 O ATOM 253 OD2 ASP A 19 -6.070 10.918 -0.610 1.00 0.00 O ATOM 0 H ASP A 19 -2.741 12.243 0.447 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.795 14.022 1.430 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.319 11.067 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.373 12.413 2.144 1.00 0.00 H new ATOM 258 N LYS A 20 -3.277 11.573 3.031 1.00 0.00 N ATOM 259 CA LYS A 20 -2.506 11.253 4.224 1.00 0.00 C ATOM 260 C LYS A 20 -3.302 11.564 5.502 1.00 0.00 C ATOM 261 O LYS A 20 -2.752 11.554 6.604 1.00 0.00 O ATOM 262 CB LYS A 20 -1.156 12.011 4.162 1.00 0.00 C ATOM 263 CG LYS A 20 -0.714 12.702 5.449 1.00 0.00 C ATOM 264 CD LYS A 20 -0.077 11.720 6.420 1.00 0.00 C ATOM 265 CE LYS A 20 -0.173 12.210 7.857 1.00 0.00 C ATOM 266 NZ LYS A 20 -0.956 11.274 8.710 1.00 0.00 N ATOM 0 H LYS A 20 -3.518 10.764 2.458 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.299 10.183 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.379 11.305 3.868 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.220 12.762 3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.003 13.494 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.574 13.177 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.568 10.751 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.970 11.573 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.829 12.325 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.640 13.195 7.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.115 11.705 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.872 11.078 8.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.429 10.385 8.824 1.00 0.00 H new ATOM 280 N ALA A 21 -4.607 11.807 5.361 1.00 0.00 N ATOM 281 CA ALA A 21 -5.451 12.087 6.524 1.00 0.00 C ATOM 282 C ALA A 21 -6.412 10.932 6.858 1.00 0.00 C ATOM 283 O ALA A 21 -7.387 11.133 7.584 1.00 0.00 O ATOM 284 CB ALA A 21 -6.237 13.369 6.298 1.00 0.00 C ATOM 0 H ALA A 21 -5.097 11.816 4.466 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.786 12.203 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.862 13.570 7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.545 14.198 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.867 13.259 5.416 1.00 0.00 H new ATOM 290 N LEU A 22 -6.156 9.724 6.333 1.00 0.00 N ATOM 291 CA LEU A 22 -7.035 8.576 6.601 1.00 0.00 C ATOM 292 C LEU A 22 -6.254 7.461 7.406 1.00 0.00 C ATOM 293 O LEU A 22 -5.736 7.802 8.470 1.00 0.00 O ATOM 294 CB LEU A 22 -7.749 8.159 5.276 1.00 0.00 C ATOM 295 CG LEU A 22 -8.590 9.266 4.628 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.734 9.685 5.539 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.745 10.459 4.267 1.00 0.00 C ATOM 0 H LEU A 22 -5.360 9.518 5.729 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.855 8.823 7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.996 7.828 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.393 7.304 5.479 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.011 8.859 3.708 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.315 10.471 5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.377 8.827 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.331 10.058 6.481 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.372 11.224 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.280 10.861 5.167 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.971 10.156 3.562 1.00 0.00 H new ATOM 309 N HIS A 23 -6.140 6.162 6.993 1.00 0.00 N ATOM 310 CA HIS A 23 -5.414 5.185 7.801 1.00 0.00 C ATOM 311 C HIS A 23 -4.283 4.543 6.972 1.00 0.00 C ATOM 312 O HIS A 23 -4.483 4.288 5.785 1.00 0.00 O ATOM 313 CB HIS A 23 -6.381 4.096 8.273 1.00 0.00 C ATOM 314 CG HIS A 23 -6.250 3.766 9.727 1.00 0.00 C ATOM 315 ND1 HIS A 23 -6.021 2.488 10.190 1.00 0.00 N ATOM 316 CD2 HIS A 23 -6.317 4.557 10.824 1.00 0.00 C ATOM 317 CE1 HIS A 23 -5.953 2.505 11.510 1.00 0.00 C ATOM 318 NE2 HIS A 23 -6.129 3.749 11.918 1.00 0.00 N ATOM 0 H HIS A 23 -6.536 5.794 6.128 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.979 5.691 8.663 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.403 4.418 8.073 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.211 3.193 7.687 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.487 5.624 10.836 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.783 1.649 12.146 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.126 4.059 12.890 1.00 0.00 H new ATOM 327 N PHE A 24 -3.095 4.279 7.557 1.00 0.00 N ATOM 328 CA PHE A 24 -2.018 3.678 6.779 1.00 0.00 C ATOM 329 C PHE A 24 -1.385 2.430 7.476 1.00 0.00 C ATOM 330 O PHE A 24 -0.882 2.558 8.593 1.00 0.00 O ATOM 331 CB PHE A 24 -0.943 4.729 6.513 1.00 0.00 C ATOM 332 CG PHE A 24 -1.393 5.849 5.600 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.043 6.959 6.118 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.157 5.805 4.226 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.450 7.991 5.290 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.559 6.834 3.403 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.205 7.925 3.931 1.00 0.00 C ATOM 0 H PHE A 24 -2.872 4.469 8.534 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.449 3.326 5.842 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.622 5.155 7.464 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.073 4.242 6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.234 7.019 7.179 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.651 4.951 3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.959 8.848 5.706 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.366 6.783 2.342 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.521 8.731 3.285 1.00 0.00 H new ATOM 347 N TYR A 25 -1.370 1.233 6.828 1.00 0.00 N ATOM 348 CA TYR A 25 -0.755 0.036 7.425 1.00 0.00 C ATOM 349 C TYR A 25 0.764 0.009 7.115 1.00 0.00 C ATOM 350 O TYR A 25 1.194 0.631 6.144 1.00 0.00 O ATOM 351 CB TYR A 25 -1.411 -1.258 6.903 1.00 0.00 C ATOM 352 CG TYR A 25 -2.871 -1.410 7.280 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.814 -0.458 6.916 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.306 -2.520 8.000 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.146 -0.604 7.258 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.634 -2.673 8.347 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.550 -1.713 7.973 1.00 0.00 C ATOM 358 OH TYR A 25 -6.875 -1.862 8.315 1.00 0.00 O ATOM 0 H TYR A 25 -1.774 1.082 5.904 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.911 0.086 8.503 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.323 -1.284 5.817 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.857 -2.114 7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.502 0.411 6.356 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.591 -3.275 8.292 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.866 0.146 6.967 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.953 -3.539 8.908 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.992 -2.696 8.815 1.00 0.00 H new ATOM 368 N THR A 26 1.583 -0.689 7.931 1.00 0.00 N ATOM 369 CA THR A 26 3.034 -0.739 7.701 1.00 0.00 C ATOM 370 C THR A 26 3.439 -2.102 7.105 1.00 0.00 C ATOM 371 O THR A 26 2.586 -2.971 6.920 1.00 0.00 O ATOM 372 CB THR A 26 3.806 -0.459 9.001 1.00 0.00 C ATOM 373 OG1 THR A 26 4.306 -1.659 9.566 1.00 0.00 O ATOM 374 CG2 THR A 26 2.977 0.232 10.063 1.00 0.00 C ATOM 0 H THR A 26 1.265 -1.218 8.743 1.00 0.00 H new ATOM 0 HA THR A 26 3.293 0.040 6.984 1.00 0.00 H new ATOM 0 HB THR A 26 4.617 0.207 8.705 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.794 -1.454 10.391 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.587 0.397 10.951 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.624 1.190 9.682 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.122 -0.393 10.321 1.00 0.00 H new ATOM 382 N PHE A 27 4.714 -2.253 6.711 1.00 0.00 N ATOM 383 CA PHE A 27 5.158 -3.472 6.027 1.00 0.00 C ATOM 384 C PHE A 27 5.755 -4.609 6.889 1.00 0.00 C ATOM 385 O PHE A 27 6.458 -4.350 7.866 1.00 0.00 O ATOM 386 CB PHE A 27 6.252 -3.111 5.036 1.00 0.00 C ATOM 387 CG PHE A 27 5.783 -2.479 3.773 1.00 0.00 C ATOM 388 CD1 PHE A 27 4.518 -1.937 3.671 1.00 0.00 C ATOM 389 CD2 PHE A 27 6.624 -2.415 2.685 1.00 0.00 C ATOM 390 CE1 PHE A 27 4.103 -1.350 2.508 1.00 0.00 C ATOM 391 CE2 PHE A 27 6.224 -1.840 1.519 1.00 0.00 C ATOM 392 CZ PHE A 27 4.957 -1.301 1.414 1.00 0.00 C ATOM 0 H PHE A 27 5.444 -1.555 6.853 1.00 0.00 H new ATOM 0 HA PHE A 27 4.232 -3.856 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.952 -2.433 5.524 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.806 -4.016 4.786 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.849 -1.977 4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.619 -2.829 2.759 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.112 -0.925 2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.897 -1.805 0.675 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.633 -0.846 0.490 1.00 0.00 H new ATOM 402 N PRO A 28 5.522 -5.904 6.486 1.00 0.00 N ATOM 403 CA PRO A 28 6.081 -7.091 7.170 1.00 0.00 C ATOM 404 C PRO A 28 7.560 -6.910 7.564 1.00 0.00 C ATOM 405 O PRO A 28 8.183 -5.908 7.211 1.00 0.00 O ATOM 406 CB PRO A 28 6.013 -8.135 6.033 1.00 0.00 C ATOM 407 CG PRO A 28 4.736 -7.822 5.382 1.00 0.00 C ATOM 408 CD PRO A 28 4.657 -6.334 5.348 1.00 0.00 C ATOM 0 HA PRO A 28 5.554 -7.330 8.094 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.853 -8.039 5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.032 -9.155 6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.696 -8.240 4.376 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.899 -8.246 5.937 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.017 -5.936 4.399 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.632 -5.985 5.471 1.00 0.00 H new ATOM 416 N LYS A 29 8.120 -7.886 8.293 1.00 0.00 N ATOM 417 CA LYS A 29 9.518 -7.828 8.731 1.00 0.00 C ATOM 418 C LYS A 29 10.471 -8.277 7.628 1.00 0.00 C ATOM 419 O LYS A 29 11.637 -7.882 7.596 1.00 0.00 O ATOM 420 CB LYS A 29 9.733 -8.727 9.946 1.00 0.00 C ATOM 421 CG LYS A 29 8.973 -10.044 9.888 1.00 0.00 C ATOM 422 CD LYS A 29 7.902 -10.125 10.966 1.00 0.00 C ATOM 423 CE LYS A 29 7.348 -11.535 11.097 1.00 0.00 C ATOM 424 NZ LYS A 29 5.892 -11.532 11.412 1.00 0.00 N ATOM 0 H LYS A 29 7.623 -8.726 8.591 1.00 0.00 H new ATOM 0 HA LYS A 29 9.729 -6.789 8.985 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.798 -8.939 10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.432 -8.186 10.843 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.511 -10.154 8.907 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.671 -10.872 10.006 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.321 -9.807 11.921 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.092 -9.435 10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.517 -12.080 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.888 -12.066 11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.552 -12.512 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.732 -11.035 12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.373 -11.048 10.652 1.00 0.00 H new ATOM 438 N ASP A 30 9.968 -9.123 6.750 1.00 0.00 N ATOM 439 CA ASP A 30 10.765 -9.669 5.648 1.00 0.00 C ATOM 440 C ASP A 30 10.851 -8.662 4.493 1.00 0.00 C ATOM 441 O ASP A 30 9.838 -8.329 3.880 1.00 0.00 O ATOM 442 CB ASP A 30 10.131 -10.987 5.143 1.00 0.00 C ATOM 443 CG ASP A 30 8.900 -11.411 5.927 1.00 0.00 C ATOM 444 OD1 ASP A 30 8.989 -11.500 7.170 1.00 0.00 O ATOM 445 OD2 ASP A 30 7.847 -11.651 5.298 1.00 0.00 O ATOM 0 H ASP A 30 9.004 -9.455 6.772 1.00 0.00 H new ATOM 0 HA ASP A 30 11.772 -9.867 6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.861 -10.871 4.093 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.876 -11.781 5.195 1.00 0.00 H new ATOM 450 N ALA A 31 12.065 -8.161 4.215 1.00 0.00 N ATOM 451 CA ALA A 31 12.272 -7.182 3.157 1.00 0.00 C ATOM 452 C ALA A 31 11.494 -7.513 1.847 1.00 0.00 C ATOM 453 O ALA A 31 10.581 -6.788 1.485 1.00 0.00 O ATOM 454 CB ALA A 31 13.778 -6.979 2.929 1.00 0.00 C ATOM 0 H ALA A 31 12.915 -8.424 4.714 1.00 0.00 H new ATOM 0 HA ALA A 31 11.845 -6.235 3.487 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.931 -6.246 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.240 -6.621 3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.233 -7.926 2.639 1.00 0.00 H new ATOM 460 N GLU A 32 11.829 -8.594 1.128 1.00 0.00 N ATOM 461 CA GLU A 32 11.125 -8.922 -0.131 1.00 0.00 C ATOM 462 C GLU A 32 9.626 -8.917 -0.005 1.00 0.00 C ATOM 463 O GLU A 32 8.993 -8.105 -0.679 1.00 0.00 O ATOM 464 CB GLU A 32 11.638 -10.247 -0.716 1.00 0.00 C ATOM 465 CG GLU A 32 10.827 -10.784 -1.887 1.00 0.00 C ATOM 466 CD GLU A 32 9.671 -11.663 -1.448 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.627 -12.035 -0.257 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.813 -11.981 -2.297 1.00 0.00 O ATOM 0 H GLU A 32 12.568 -9.248 1.386 1.00 0.00 H new ATOM 0 HA GLU A 32 11.360 -8.119 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.670 -10.110 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.649 -10.997 0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.441 -9.948 -2.469 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.482 -11.355 -2.545 1.00 0.00 H new ATOM 475 N LEU A 33 9.011 -9.766 0.821 1.00 0.00 N ATOM 476 CA LEU A 33 7.572 -9.704 0.909 1.00 0.00 C ATOM 477 C LEU A 33 7.135 -8.242 0.826 1.00 0.00 C ATOM 478 O LEU A 33 6.170 -7.883 0.154 1.00 0.00 O ATOM 479 CB LEU A 33 7.088 -10.321 2.229 1.00 0.00 C ATOM 480 CG LEU A 33 5.614 -10.729 2.275 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.893 -10.462 0.961 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.499 -12.187 2.636 1.00 0.00 C ATOM 0 H LEU A 33 9.467 -10.466 1.406 1.00 0.00 H new ATOM 0 HA LEU A 33 7.134 -10.270 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.695 -11.201 2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.272 -9.606 3.031 1.00 0.00 H new ATOM 0 HG LEU A 33 5.132 -10.116 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.851 -10.770 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.939 -9.398 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.372 -11.027 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.447 -12.472 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.016 -12.789 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.950 -12.356 3.614 1.00 0.00 H new ATOM 494 N ARG A 34 7.928 -7.399 1.462 1.00 0.00 N ATOM 495 CA ARG A 34 7.682 -5.959 1.480 1.00 0.00 C ATOM 496 C ARG A 34 7.590 -5.422 0.082 1.00 0.00 C ATOM 497 O ARG A 34 6.555 -4.882 -0.325 1.00 0.00 O ATOM 498 CB ARG A 34 8.760 -5.195 2.307 1.00 0.00 C ATOM 499 CG ARG A 34 9.784 -4.375 1.510 1.00 0.00 C ATOM 500 CD ARG A 34 9.166 -3.143 0.868 1.00 0.00 C ATOM 501 NE ARG A 34 9.596 -1.908 1.522 1.00 0.00 N ATOM 502 CZ ARG A 34 10.740 -1.283 1.244 1.00 0.00 C ATOM 503 NH1 ARG A 34 11.572 -1.777 0.336 1.00 0.00 N ATOM 504 NH2 ARG A 34 11.052 -0.162 1.879 1.00 0.00 N ATOM 0 H ARG A 34 8.758 -7.686 1.980 1.00 0.00 H new ATOM 0 HA ARG A 34 6.725 -5.794 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.248 -4.523 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.302 -5.921 2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.594 -4.069 2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.225 -5.003 0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.439 -3.108 -0.187 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.079 -3.217 0.913 1.00 0.00 H new ATOM 0 HE ARG A 34 8.986 -1.502 2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.338 -2.640 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.446 -1.293 0.128 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.417 0.221 2.579 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.927 0.317 1.667 1.00 0.00 H new ATOM 518 N ARG A 35 8.663 -5.592 -0.666 1.00 0.00 N ATOM 519 CA ARG A 35 8.675 -5.114 -2.014 1.00 0.00 C ATOM 520 C ARG A 35 7.506 -5.699 -2.751 1.00 0.00 C ATOM 521 O ARG A 35 6.888 -5.014 -3.569 1.00 0.00 O ATOM 522 CB ARG A 35 10.016 -5.379 -2.738 1.00 0.00 C ATOM 523 CG ARG A 35 10.396 -6.840 -2.951 1.00 0.00 C ATOM 524 CD ARG A 35 9.617 -7.482 -4.092 1.00 0.00 C ATOM 525 NE ARG A 35 10.319 -7.361 -5.368 1.00 0.00 N ATOM 526 CZ ARG A 35 11.307 -8.166 -5.753 1.00 0.00 C ATOM 527 NH1 ARG A 35 11.722 -9.147 -4.961 1.00 0.00 N ATOM 528 NH2 ARG A 35 11.886 -7.988 -6.933 1.00 0.00 N ATOM 0 H ARG A 35 9.520 -6.052 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 35 8.579 -4.028 -1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.981 -4.890 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.812 -4.899 -2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.464 -6.908 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.215 -7.397 -2.032 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.449 -8.536 -3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.637 -7.012 -4.171 1.00 0.00 H new ATOM 0 HE ARG A 35 10.035 -6.614 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.283 -9.288 -4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.479 -9.760 -5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.574 -7.234 -7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.643 -8.605 -7.228 1.00 0.00 H new ATOM 542 N LEU A 36 7.127 -6.942 -2.416 1.00 0.00 N ATOM 543 CA LEU A 36 5.968 -7.519 -3.105 1.00 0.00 C ATOM 544 C LEU A 36 4.802 -6.562 -3.018 1.00 0.00 C ATOM 545 O LEU A 36 4.203 -6.200 -4.039 1.00 0.00 O ATOM 546 CB LEU A 36 5.587 -8.919 -2.586 1.00 0.00 C ATOM 547 CG LEU A 36 6.542 -10.040 -2.998 1.00 0.00 C ATOM 548 CD1 LEU A 36 6.164 -11.341 -2.304 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.538 -10.220 -4.510 1.00 0.00 C ATOM 0 H LEU A 36 7.575 -7.534 -1.717 1.00 0.00 H new ATOM 0 HA LEU A 36 6.244 -7.662 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.537 -8.886 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.587 -9.164 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 36 7.550 -9.764 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.853 -12.129 -2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.220 -11.207 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.148 -11.620 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.224 -11.022 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.532 -10.474 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.856 -9.293 -4.988 1.00 0.00 H new ATOM 561 N TRP A 37 4.530 -6.077 -1.824 1.00 0.00 N ATOM 562 CA TRP A 37 3.468 -5.130 -1.647 1.00 0.00 C ATOM 563 C TRP A 37 3.691 -3.934 -2.547 1.00 0.00 C ATOM 564 O TRP A 37 2.776 -3.548 -3.309 1.00 0.00 O ATOM 565 CB TRP A 37 3.403 -4.712 -0.170 1.00 0.00 C ATOM 566 CG TRP A 37 2.756 -5.741 0.670 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.735 -7.082 0.442 1.00 0.00 C ATOM 568 CD2 TRP A 37 2.055 -5.513 1.879 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.044 -7.713 1.456 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.617 -6.759 2.354 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.757 -4.365 2.602 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.890 -6.880 3.538 1.00 0.00 C ATOM 573 CZ3 TRP A 37 1.046 -4.483 3.770 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.620 -5.726 4.230 1.00 0.00 C ATOM 0 H TRP A 37 5.031 -6.326 -0.971 1.00 0.00 H new ATOM 0 HA TRP A 37 2.515 -5.583 -1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.412 -4.525 0.198 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.853 -3.775 -0.083 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.190 -7.577 -0.403 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.877 -8.717 1.529 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.079 -3.396 2.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.553 -7.842 3.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.813 -3.597 4.342 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.064 -5.784 5.154 1.00 0.00 H new ATOM 585 N LEU A 38 4.935 -3.387 -2.524 1.00 0.00 N ATOM 586 CA LEU A 38 5.260 -2.259 -3.349 1.00 0.00 C ATOM 587 C LEU A 38 4.556 -2.413 -4.693 1.00 0.00 C ATOM 588 O LEU A 38 3.819 -1.521 -5.125 1.00 0.00 O ATOM 589 CB LEU A 38 6.786 -2.140 -3.522 1.00 0.00 C ATOM 590 CG LEU A 38 7.534 -1.843 -2.225 1.00 0.00 C ATOM 591 CD1 LEU A 38 8.936 -1.344 -2.512 1.00 0.00 C ATOM 592 CD2 LEU A 38 6.774 -0.822 -1.390 1.00 0.00 C ATOM 0 H LEU A 38 5.701 -3.725 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 38 4.917 -1.340 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.167 -3.069 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.000 -1.350 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 38 7.608 -2.772 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.449 -1.139 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.486 -2.104 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.883 -0.430 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.323 -0.624 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.667 0.104 -1.956 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.787 -1.214 -1.146 1.00 0.00 H new ATOM 604 N LYS A 39 4.721 -3.588 -5.337 1.00 0.00 N ATOM 605 CA LYS A 39 4.110 -3.818 -6.615 1.00 0.00 C ATOM 606 C LYS A 39 2.659 -3.341 -6.703 1.00 0.00 C ATOM 607 O LYS A 39 2.371 -2.343 -7.380 1.00 0.00 O ATOM 608 CB LYS A 39 4.262 -5.314 -6.971 1.00 0.00 C ATOM 609 CG LYS A 39 5.493 -5.634 -7.807 1.00 0.00 C ATOM 610 CD LYS A 39 6.744 -4.945 -7.276 1.00 0.00 C ATOM 611 CE LYS A 39 7.812 -4.829 -8.350 1.00 0.00 C ATOM 612 NZ LYS A 39 8.891 -3.879 -7.959 1.00 0.00 N ATOM 0 H LYS A 39 5.270 -4.369 -4.978 1.00 0.00 H new ATOM 0 HA LYS A 39 4.631 -3.209 -7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.302 -5.893 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.374 -5.639 -7.513 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.652 -6.712 -7.819 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.320 -5.326 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.486 -3.952 -6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.138 -5.506 -6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.244 -5.811 -8.540 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.355 -4.496 -9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.209 -3.351 -8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.527 -3.214 -7.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.692 -4.409 -7.560 1.00 0.00 H new ATOM 626 N ASN A 40 1.753 -3.997 -6.002 1.00 0.00 N ATOM 627 CA ASN A 40 0.343 -3.608 -6.073 1.00 0.00 C ATOM 628 C ASN A 40 0.069 -2.263 -5.427 1.00 0.00 C ATOM 629 O ASN A 40 -0.908 -1.585 -5.738 1.00 0.00 O ATOM 630 CB ASN A 40 -0.517 -4.688 -5.424 1.00 0.00 C ATOM 631 CG ASN A 40 -1.451 -5.355 -6.407 1.00 0.00 C ATOM 632 OD1 ASN A 40 -2.332 -4.719 -6.987 1.00 0.00 O ATOM 633 ND2 ASN A 40 -1.255 -6.652 -6.596 1.00 0.00 N ATOM 0 H ASN A 40 1.954 -4.786 -5.387 1.00 0.00 H new ATOM 0 HA ASN A 40 0.087 -3.506 -7.128 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.130 -5.441 -4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.101 -4.246 -4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.848 -7.168 -7.246 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.511 -7.134 -6.091 1.00 0.00 H new ATOM 640 N VAL A 41 0.914 -1.929 -4.496 1.00 0.00 N ATOM 641 CA VAL A 41 0.810 -0.735 -3.727 1.00 0.00 C ATOM 642 C VAL A 41 1.335 0.532 -4.391 1.00 0.00 C ATOM 643 O VAL A 41 0.971 1.611 -3.939 1.00 0.00 O ATOM 644 CB VAL A 41 1.328 -0.945 -2.288 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.429 0.383 -1.545 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.354 -1.901 -1.622 1.00 0.00 C ATOM 0 H VAL A 41 1.719 -2.503 -4.247 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.259 -0.532 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 41 2.335 -1.362 -2.281 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.796 0.207 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.118 1.043 -2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.445 0.849 -1.498 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.671 -2.088 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.643 -1.461 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.334 -2.842 -2.172 1.00 0.00 H new ATOM 656 N SER A 42 2.195 0.449 -5.431 1.00 0.00 N ATOM 657 CA SER A 42 2.731 1.694 -6.041 1.00 0.00 C ATOM 658 C SER A 42 4.113 1.439 -6.715 1.00 0.00 C ATOM 659 O SER A 42 4.132 1.178 -7.916 1.00 0.00 O ATOM 660 CB SER A 42 2.777 2.889 -5.014 1.00 0.00 C ATOM 661 OG SER A 42 4.106 3.217 -4.675 1.00 0.00 O ATOM 0 H SER A 42 2.523 -0.421 -5.852 1.00 0.00 H new ATOM 0 HA SER A 42 2.038 1.997 -6.826 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.282 3.760 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.225 2.620 -4.114 1.00 0.00 H new ATOM 0 HG SER A 42 4.212 4.191 -4.672 1.00 0.00 H new ATOM 667 N ARG A 43 5.275 1.506 -5.993 1.00 0.00 N ATOM 668 CA ARG A 43 6.571 1.259 -6.636 1.00 0.00 C ATOM 669 C ARG A 43 6.721 2.073 -7.920 1.00 0.00 C ATOM 670 O ARG A 43 7.179 1.560 -8.939 1.00 0.00 O ATOM 671 CB ARG A 43 6.758 -0.241 -6.926 1.00 0.00 C ATOM 672 CG ARG A 43 5.905 -0.776 -8.070 1.00 0.00 C ATOM 673 CD ARG A 43 6.618 -1.886 -8.829 1.00 0.00 C ATOM 674 NE ARG A 43 6.433 -1.765 -10.272 1.00 0.00 N ATOM 675 CZ ARG A 43 5.314 -2.107 -10.909 1.00 0.00 C ATOM 676 NH1 ARG A 43 4.283 -2.600 -10.232 1.00 0.00 N ATOM 677 NH2 ARG A 43 5.227 -1.960 -12.223 1.00 0.00 N ATOM 0 H ARG A 43 5.324 1.723 -4.998 1.00 0.00 H new ATOM 0 HA ARG A 43 7.349 1.580 -5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.808 -0.425 -7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.526 -0.804 -6.022 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.961 -1.152 -7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.663 0.037 -8.755 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.682 -1.859 -8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.243 -2.853 -8.495 1.00 0.00 H new ATOM 0 HE ARG A 43 7.207 -1.397 -10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.346 -2.718 -9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.428 -2.861 -10.723 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.017 -1.585 -12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.370 -2.222 -12.710 1.00 0.00 H new ATOM 784 N THR A 52 9.981 9.915 -7.123 1.00 0.00 N ATOM 785 CA THR A 52 8.893 8.979 -7.401 1.00 0.00 C ATOM 786 C THR A 52 8.357 8.384 -6.100 1.00 0.00 C ATOM 787 O THR A 52 8.007 7.207 -6.037 1.00 0.00 O ATOM 788 CB THR A 52 9.374 7.864 -8.340 1.00 0.00 C ATOM 789 OG1 THR A 52 10.757 8.000 -8.619 1.00 0.00 O ATOM 790 CG2 THR A 52 8.643 7.840 -9.666 1.00 0.00 C ATOM 0 HA THR A 52 8.086 9.522 -7.892 1.00 0.00 H new ATOM 0 HB THR A 52 9.167 6.935 -7.809 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.061 8.889 -8.341 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.032 7.029 -10.281 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.578 7.685 -9.492 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.792 8.789 -10.181 1.00 0.00 H new ATOM 798 N PHE A 53 8.318 9.218 -5.062 1.00 0.00 N ATOM 799 CA PHE A 53 7.847 8.817 -3.735 1.00 0.00 C ATOM 800 C PHE A 53 8.533 7.536 -3.238 1.00 0.00 C ATOM 801 O PHE A 53 8.041 6.900 -2.310 1.00 0.00 O ATOM 802 CB PHE A 53 6.315 8.645 -3.711 1.00 0.00 C ATOM 803 CG PHE A 53 5.779 7.523 -4.562 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.167 6.211 -4.341 1.00 0.00 C ATOM 805 CD2 PHE A 53 4.852 7.780 -5.559 1.00 0.00 C ATOM 806 CE1 PHE A 53 5.650 5.186 -5.095 1.00 0.00 C ATOM 807 CE2 PHE A 53 4.320 6.750 -6.312 1.00 0.00 C ATOM 808 CZ PHE A 53 4.722 5.450 -6.078 1.00 0.00 C ATOM 0 H PHE A 53 8.612 10.193 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 53 8.118 9.624 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.001 8.479 -2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.856 9.578 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.886 5.992 -3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.541 8.797 -5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.972 4.171 -4.917 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.592 6.962 -7.081 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.310 4.642 -6.664 1.00 0.00 H new ATOM 818 N GLN A 54 9.668 7.174 -3.853 1.00 0.00 N ATOM 819 CA GLN A 54 10.444 5.969 -3.490 1.00 0.00 C ATOM 820 C GLN A 54 9.985 5.327 -2.168 1.00 0.00 C ATOM 821 O GLN A 54 9.858 6.012 -1.152 1.00 0.00 O ATOM 822 CB GLN A 54 11.930 6.335 -3.395 1.00 0.00 C ATOM 823 CG GLN A 54 12.893 5.168 -3.602 1.00 0.00 C ATOM 824 CD GLN A 54 12.463 4.205 -4.694 1.00 0.00 C ATOM 825 OE1 GLN A 54 12.640 2.993 -4.572 1.00 0.00 O ATOM 826 NE2 GLN A 54 11.910 4.742 -5.776 1.00 0.00 N ATOM 0 H GLN A 54 10.079 7.707 -4.619 1.00 0.00 H new ATOM 0 HA GLN A 54 10.274 5.230 -4.273 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.148 7.103 -4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.119 6.774 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.880 5.562 -3.846 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.991 4.620 -2.665 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.782 5.752 -5.835 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.613 4.144 -6.547 1.00 0.00 H new ATOM 835 N PRO A 55 9.745 3.995 -2.157 1.00 0.00 N ATOM 836 CA PRO A 55 9.313 3.283 -0.949 1.00 0.00 C ATOM 837 C PRO A 55 10.417 3.211 0.097 1.00 0.00 C ATOM 838 O PRO A 55 10.151 2.956 1.270 1.00 0.00 O ATOM 839 CB PRO A 55 8.944 1.873 -1.438 1.00 0.00 C ATOM 840 CG PRO A 55 8.986 1.934 -2.933 1.00 0.00 C ATOM 841 CD PRO A 55 9.889 3.080 -3.296 1.00 0.00 C ATOM 0 HA PRO A 55 8.481 3.794 -0.464 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.646 1.131 -1.057 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.953 1.584 -1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.363 0.999 -3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.987 2.085 -3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.921 2.754 -3.423 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.586 3.551 -4.231 1.00 0.00 H new ATOM 849 N THR A 56 11.655 3.450 -0.330 1.00 0.00 N ATOM 850 CA THR A 56 12.790 3.428 0.584 1.00 0.00 C ATOM 851 C THR A 56 12.466 4.263 1.830 1.00 0.00 C ATOM 852 O THR A 56 12.707 3.819 2.953 1.00 0.00 O ATOM 853 CB THR A 56 14.037 3.988 -0.108 1.00 0.00 C ATOM 854 OG1 THR A 56 15.171 3.870 0.733 1.00 0.00 O ATOM 855 CG2 THR A 56 13.904 5.445 -0.498 1.00 0.00 C ATOM 0 H THR A 56 11.895 3.660 -1.299 1.00 0.00 H new ATOM 0 HA THR A 56 12.986 2.398 0.881 1.00 0.00 H new ATOM 0 HB THR A 56 14.154 3.396 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.958 4.231 0.274 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.822 5.777 -0.983 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.067 5.562 -1.186 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.727 6.046 0.394 1.00 0.00 H new ATOM 863 N THR A 57 11.895 5.476 1.637 1.00 0.00 N ATOM 864 CA THR A 57 11.536 6.324 2.763 1.00 0.00 C ATOM 865 C THR A 57 10.599 5.587 3.715 1.00 0.00 C ATOM 866 O THR A 57 10.566 5.874 4.912 1.00 0.00 O ATOM 867 CB THR A 57 10.868 7.606 2.264 1.00 0.00 C ATOM 868 OG1 THR A 57 10.579 8.476 3.343 1.00 0.00 O ATOM 869 CG2 THR A 57 9.576 7.355 1.514 1.00 0.00 C ATOM 0 H THR A 57 11.682 5.871 0.721 1.00 0.00 H new ATOM 0 HA THR A 57 12.447 6.582 3.303 1.00 0.00 H new ATOM 0 HB THR A 57 11.585 8.056 1.578 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.154 9.290 3.002 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.154 8.306 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.776 6.729 0.644 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.867 6.849 2.170 1.00 0.00 H new ATOM 877 N GLY A 58 9.839 4.632 3.177 1.00 0.00 N ATOM 878 CA GLY A 58 8.918 3.875 4.005 1.00 0.00 C ATOM 879 C GLY A 58 7.482 3.885 3.469 1.00 0.00 C ATOM 880 O GLY A 58 6.649 4.617 4.006 1.00 0.00 O ATOM 0 H GLY A 58 9.846 4.373 2.191 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.266 2.844 4.077 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.926 4.285 5.015 1.00 0.00 H new ATOM 884 N HIS A 59 7.155 3.094 2.426 1.00 0.00 N ATOM 885 CA HIS A 59 5.788 3.094 1.914 1.00 0.00 C ATOM 886 C HIS A 59 4.896 2.212 2.795 1.00 0.00 C ATOM 887 O HIS A 59 5.275 1.119 3.218 1.00 0.00 O ATOM 888 CB HIS A 59 5.732 2.649 0.443 1.00 0.00 C ATOM 889 CG HIS A 59 5.469 3.760 -0.520 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.148 4.957 -0.483 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.596 3.852 -1.565 1.00 0.00 C ATOM 892 CE1 HIS A 59 5.714 5.737 -1.451 1.00 0.00 C ATOM 893 NE2 HIS A 59 4.777 5.090 -2.122 1.00 0.00 N ATOM 0 H HIS A 59 7.801 2.470 1.942 1.00 0.00 H new ATOM 0 HA HIS A 59 5.412 4.116 1.951 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.677 2.173 0.182 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.953 1.894 0.332 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.898 3.095 -1.890 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.065 6.737 -1.661 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.269 5.455 -2.928 1.00 0.00 H new ATOM 902 N ARG A 60 3.730 2.757 3.089 1.00 0.00 N ATOM 903 CA ARG A 60 2.713 2.161 3.953 1.00 0.00 C ATOM 904 C ARG A 60 1.470 1.793 3.098 1.00 0.00 C ATOM 905 O ARG A 60 1.455 2.076 1.899 1.00 0.00 O ATOM 906 CB ARG A 60 2.392 3.172 5.058 1.00 0.00 C ATOM 907 CG ARG A 60 1.583 4.352 4.565 1.00 0.00 C ATOM 908 CD ARG A 60 1.843 5.600 5.397 1.00 0.00 C ATOM 909 NE ARG A 60 1.807 5.331 6.836 1.00 0.00 N ATOM 910 CZ ARG A 60 1.667 6.276 7.764 1.00 0.00 C ATOM 911 NH1 ARG A 60 1.554 7.550 7.410 1.00 0.00 N ATOM 912 NH2 ARG A 60 1.640 5.946 9.048 1.00 0.00 N ATOM 0 H ARG A 60 3.449 3.665 2.720 1.00 0.00 H new ATOM 0 HA ARG A 60 3.061 1.239 4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.843 2.669 5.854 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.324 3.534 5.493 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.829 4.552 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.522 4.106 4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.816 6.013 5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.098 6.357 5.153 1.00 0.00 H new ATOM 0 HE ARG A 60 1.894 4.363 7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.574 7.809 6.424 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.447 8.270 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.726 4.968 9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.533 6.670 9.758 1.00 0.00 H new ATOM 926 N LEU A 61 0.464 1.113 3.674 1.00 0.00 N ATOM 927 CA LEU A 61 -0.714 0.664 2.903 1.00 0.00 C ATOM 928 C LEU A 61 -1.988 1.437 3.347 1.00 0.00 C ATOM 929 O LEU A 61 -1.994 1.990 4.441 1.00 0.00 O ATOM 930 CB LEU A 61 -0.959 -0.824 3.193 1.00 0.00 C ATOM 931 CG LEU A 61 -1.110 -1.775 2.007 1.00 0.00 C ATOM 932 CD1 LEU A 61 -2.365 -2.606 2.171 1.00 0.00 C ATOM 933 CD2 LEU A 61 -1.139 -1.029 0.701 1.00 0.00 C ATOM 0 H LEU A 61 0.440 0.863 4.662 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.521 0.842 1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.133 -1.184 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.862 -0.901 3.799 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.242 -2.435 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.467 -3.282 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.299 -3.186 3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.233 -1.949 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.247 -1.737 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.981 -0.336 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.210 -0.472 0.579 1.00 0.00 H new ATOM 945 N CYS A 62 -3.055 1.525 2.498 1.00 0.00 N ATOM 946 CA CYS A 62 -4.244 2.290 2.873 1.00 0.00 C ATOM 947 C CYS A 62 -5.518 1.404 3.077 1.00 0.00 C ATOM 948 O CYS A 62 -5.439 0.176 3.037 1.00 0.00 O ATOM 949 CB CYS A 62 -4.329 3.563 1.986 1.00 0.00 C ATOM 950 SG CYS A 62 -5.532 3.649 0.661 1.00 0.00 S ATOM 0 H CYS A 62 -3.100 1.083 1.580 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.163 2.682 3.887 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.514 4.409 2.648 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.345 3.716 1.542 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.245 4.646 -0.122 1.00 0.00 H new ATOM 955 N SER A 63 -6.625 2.043 3.480 1.00 0.00 N ATOM 956 CA SER A 63 -7.868 1.423 3.924 1.00 0.00 C ATOM 957 C SER A 63 -8.525 0.251 3.158 1.00 0.00 C ATOM 958 O SER A 63 -8.165 -0.917 3.303 1.00 0.00 O ATOM 959 CB SER A 63 -8.894 2.567 4.137 1.00 0.00 C ATOM 960 OG SER A 63 -9.042 2.864 5.514 1.00 0.00 O ATOM 0 H SER A 63 -6.673 3.062 3.504 1.00 0.00 H new ATOM 0 HA SER A 63 -7.554 0.879 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.567 3.458 3.602 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.858 2.279 3.717 1.00 0.00 H new ATOM 0 HG SER A 63 -9.692 3.589 5.624 1.00 0.00 H new ATOM 966 N VAL A 64 -9.622 0.622 2.539 1.00 0.00 N ATOM 967 CA VAL A 64 -10.623 -0.283 1.895 1.00 0.00 C ATOM 968 C VAL A 64 -10.170 -1.375 0.920 1.00 0.00 C ATOM 969 O VAL A 64 -10.977 -1.826 0.107 1.00 0.00 O ATOM 970 CB VAL A 64 -11.700 0.538 1.191 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.437 1.429 2.182 1.00 0.00 C ATOM 972 CG2 VAL A 64 -11.067 1.349 0.089 1.00 0.00 C ATOM 0 H VAL A 64 -9.879 1.605 2.451 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.962 -0.845 2.765 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.437 -0.135 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.199 2.004 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.910 0.811 2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.730 2.110 2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.833 1.937 -0.416 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.318 2.017 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.591 0.680 -0.628 1.00 0.00 H new ATOM 982 N HIS A 65 -8.946 -1.824 0.981 1.00 0.00 N ATOM 983 CA HIS A 65 -8.515 -2.897 0.062 1.00 0.00 C ATOM 984 C HIS A 65 -8.654 -4.293 0.698 1.00 0.00 C ATOM 985 O HIS A 65 -9.319 -5.159 0.129 1.00 0.00 O ATOM 986 CB HIS A 65 -7.110 -2.660 -0.461 1.00 0.00 C ATOM 987 CG HIS A 65 -6.549 -1.343 -0.119 1.00 0.00 C ATOM 988 ND1 HIS A 65 -7.320 -0.241 0.158 1.00 0.00 N ATOM 989 CD2 HIS A 65 -5.280 -0.957 0.013 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.544 0.752 0.462 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.297 0.338 0.386 1.00 0.00 N ATOM 0 H HIS A 65 -8.232 -1.490 1.629 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.189 -2.868 -0.794 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.453 -3.435 -0.067 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -7.116 -2.769 -1.546 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.403 -1.567 -0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.865 1.747 0.731 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.473 0.908 0.579 1.00 0.00 H new ATOM 999 N PHE A 66 -8.040 -4.518 1.870 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.120 -5.798 2.560 1.00 0.00 C ATOM 1001 C PHE A 66 -9.556 -6.374 2.502 1.00 0.00 C ATOM 1002 O PHE A 66 -10.497 -5.628 2.227 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.741 -5.581 4.031 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.273 -5.440 4.285 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.441 -6.540 4.186 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.729 -4.214 4.646 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -4.092 -6.428 4.444 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -4.375 -4.098 4.900 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.559 -5.208 4.801 1.00 0.00 C ATOM 0 H PHE A 66 -7.480 -3.818 2.356 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.442 -6.501 2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.246 -4.686 4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.118 -6.419 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.853 -7.497 3.903 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.367 -3.347 4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.453 -7.295 4.367 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.956 -3.141 5.175 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.502 -5.120 5.004 1.00 0.00 H new ATOM 1019 N GLN A 67 -9.753 -7.673 2.804 1.00 0.00 N ATOM 1020 CA GLN A 67 -11.091 -8.241 2.817 1.00 0.00 C ATOM 1021 C GLN A 67 -11.610 -8.212 4.287 1.00 0.00 C ATOM 1022 O GLN A 67 -11.112 -9.007 5.083 1.00 0.00 O ATOM 1023 CB GLN A 67 -11.032 -9.696 2.340 1.00 0.00 C ATOM 1024 CG GLN A 67 -12.218 -10.103 1.483 1.00 0.00 C ATOM 1025 CD GLN A 67 -11.876 -10.166 0.007 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -10.771 -9.809 -0.400 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -12.826 -10.621 -0.801 1.00 0.00 N ATOM 0 H GLN A 67 -9.008 -8.329 3.037 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.750 -7.672 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.115 -9.846 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.980 -10.353 3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.581 -11.077 1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.031 -9.393 1.634 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.728 -10.906 -0.418 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.654 -10.686 -1.804 1.00 0.00 H new ATOM 1036 N GLY A 68 -12.559 -7.326 4.705 1.00 0.00 N ATOM 1037 CA GLY A 68 -12.959 -7.347 6.103 1.00 0.00 C ATOM 1038 C GLY A 68 -11.854 -6.811 7.019 1.00 0.00 C ATOM 1039 O GLY A 68 -11.986 -5.709 7.553 1.00 0.00 O ATOM 0 H GLY A 68 -13.025 -6.635 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.861 -6.748 6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.210 -8.367 6.394 1.00 0.00 H new ATOM 1043 N GLY A 69 -10.754 -7.568 7.201 1.00 0.00 N ATOM 1044 CA GLY A 69 -9.669 -7.091 8.048 1.00 0.00 C ATOM 1045 C GLY A 69 -9.182 -8.138 9.032 1.00 0.00 C ATOM 1046 O GLY A 69 -9.994 -8.815 9.660 1.00 0.00 O ATOM 0 H GLY A 69 -10.604 -8.486 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.836 -6.776 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.004 -6.211 8.598 1.00 0.00 H new ATOM 1050 N ARG A 70 -7.847 -8.259 9.170 1.00 0.00 N ATOM 1051 CA ARG A 70 -7.215 -9.221 10.085 1.00 0.00 C ATOM 1052 C ARG A 70 -6.106 -9.992 9.370 1.00 0.00 C ATOM 1053 O ARG A 70 -5.177 -10.489 10.006 1.00 0.00 O ATOM 1054 CB ARG A 70 -8.233 -10.207 10.683 1.00 0.00 C ATOM 1055 CG ARG A 70 -7.609 -11.367 11.458 1.00 0.00 C ATOM 1056 CD ARG A 70 -6.580 -10.881 12.466 1.00 0.00 C ATOM 1057 NE ARG A 70 -6.887 -11.334 13.820 1.00 0.00 N ATOM 1058 CZ ARG A 70 -6.383 -10.778 14.921 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -5.548 -9.750 14.833 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -6.717 -11.251 16.114 1.00 0.00 N ATOM 0 H ARG A 70 -7.179 -7.691 8.649 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.787 -8.646 10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.902 -9.661 11.347 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.845 -10.612 9.877 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.392 -11.922 11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.137 -12.058 10.760 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.592 -11.241 12.178 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.540 -9.792 12.448 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.525 -12.122 13.929 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.288 -9.381 13.918 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.166 -9.329 15.680 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.359 -12.040 16.188 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.332 -10.826 16.957 1.00 0.00 H new ATOM 1074 N LYS A 71 -6.203 -10.086 8.044 1.00 0.00 N ATOM 1075 CA LYS A 71 -5.198 -10.793 7.259 1.00 0.00 C ATOM 1076 C LYS A 71 -5.089 -12.250 7.699 1.00 0.00 C ATOM 1077 O LYS A 71 -4.153 -12.630 8.403 1.00 0.00 O ATOM 1078 CB LYS A 71 -3.848 -10.097 7.406 1.00 0.00 C ATOM 1079 CG LYS A 71 -2.882 -10.359 6.257 1.00 0.00 C ATOM 1080 CD LYS A 71 -1.936 -9.184 6.017 1.00 0.00 C ATOM 1081 CE LYS A 71 -1.687 -8.365 7.280 1.00 0.00 C ATOM 1082 NZ LYS A 71 -0.685 -7.288 7.056 1.00 0.00 N ATOM 0 H LYS A 71 -6.963 -9.683 7.496 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.501 -10.777 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.013 -9.023 7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.384 -10.422 8.337 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.299 -11.254 6.472 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.448 -10.559 5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.985 -9.559 5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.354 -8.537 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.625 -7.924 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.340 -9.023 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.019 -7.262 7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.163 -7.477 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.171 -6.372 6.980 1.00 0.00 H new ATOM 1096 N THR A 72 -6.054 -13.057 7.279 1.00 0.00 N ATOM 1097 CA THR A 72 -6.076 -14.475 7.627 1.00 0.00 C ATOM 1098 C THR A 72 -4.887 -15.207 7.016 1.00 0.00 C ATOM 1099 O THR A 72 -3.988 -14.588 6.447 1.00 0.00 O ATOM 1100 CB THR A 72 -7.383 -15.113 7.151 1.00 0.00 C ATOM 1101 OG1 THR A 72 -8.004 -14.308 6.162 1.00 0.00 O ATOM 1102 CG2 THR A 72 -8.385 -15.321 8.265 1.00 0.00 C ATOM 0 H THR A 72 -6.834 -12.755 6.696 1.00 0.00 H new ATOM 0 HA THR A 72 -6.009 -14.559 8.712 1.00 0.00 H new ATOM 0 HB THR A 72 -7.100 -16.086 6.749 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.837 -14.734 5.869 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.289 -15.777 7.861 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.956 -15.977 9.023 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.633 -14.360 8.715 1.00 0.00 H new ATOM 1110 N TYR A 73 -4.892 -16.532 7.135 1.00 0.00 N ATOM 1111 CA TYR A 73 -3.816 -17.355 6.593 1.00 0.00 C ATOM 1112 C TYR A 73 -4.107 -17.745 5.144 1.00 0.00 C ATOM 1113 O TYR A 73 -4.007 -18.914 4.772 1.00 0.00 O ATOM 1114 CB TYR A 73 -3.628 -18.611 7.446 1.00 0.00 C ATOM 1115 CG TYR A 73 -2.180 -18.995 7.639 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -1.353 -19.234 6.549 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -1.638 -19.118 8.912 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -0.027 -19.583 6.722 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -0.314 -19.467 9.094 1.00 0.00 C ATOM 1120 CZ TYR A 73 0.488 -19.698 7.996 1.00 0.00 C ATOM 1121 OH TYR A 73 1.806 -20.045 8.172 1.00 0.00 O ATOM 0 H TYR A 73 -5.630 -17.059 7.602 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.897 -16.770 6.615 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.087 -18.450 8.422 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.157 -19.441 6.978 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.753 -19.146 5.550 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -2.263 -18.938 9.774 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.603 -19.765 5.864 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.091 -19.559 10.091 1.00 0.00 H new ATOM 0 HH TYR A 73 2.010 -20.082 9.130 1.00 0.00 H new ATOM 1131 N THR A 74 -4.466 -16.755 4.332 1.00 0.00 N ATOM 1132 CA THR A 74 -4.774 -16.988 2.925 1.00 0.00 C ATOM 1133 C THR A 74 -4.498 -15.734 2.101 1.00 0.00 C ATOM 1134 O THR A 74 -3.961 -15.808 0.996 1.00 0.00 O ATOM 1135 CB THR A 74 -6.238 -17.410 2.762 1.00 0.00 C ATOM 1136 OG1 THR A 74 -6.934 -17.298 3.991 1.00 0.00 O ATOM 1137 CG2 THR A 74 -6.398 -18.834 2.273 1.00 0.00 C ATOM 0 H THR A 74 -4.551 -15.782 4.625 1.00 0.00 H new ATOM 0 HA THR A 74 -4.133 -17.792 2.563 1.00 0.00 H new ATOM 0 HB THR A 74 -6.651 -16.735 2.012 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.867 -17.570 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.458 -19.069 2.179 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.915 -18.942 1.302 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.936 -19.517 2.986 1.00 0.00 H new ATOM 1145 N VAL A 75 -4.866 -14.582 2.653 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.659 -13.306 1.983 1.00 0.00 C ATOM 1147 C VAL A 75 -3.201 -12.854 2.178 1.00 0.00 C ATOM 1148 O VAL A 75 -2.869 -12.240 3.194 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.649 -12.266 2.596 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.348 -12.052 4.071 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -5.673 -10.921 1.860 1.00 0.00 C ATOM 0 H VAL A 75 -5.311 -14.508 3.568 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.846 -13.397 0.913 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.644 -12.695 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.047 -11.324 4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.452 -12.997 4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.329 -11.681 4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.384 -10.253 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.679 -10.474 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.972 -11.079 0.824 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.316 -13.176 1.216 1.00 0.00 N ATOM 1162 CA ARG A 76 -0.907 -12.805 1.338 1.00 0.00 C ATOM 1163 C ARG A 76 -0.648 -11.366 0.885 1.00 0.00 C ATOM 1164 O ARG A 76 0.078 -10.630 1.554 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.026 -13.781 0.547 1.00 0.00 C ATOM 1166 CG ARG A 76 1.401 -13.871 1.063 1.00 0.00 C ATOM 1167 CD ARG A 76 2.340 -14.422 0.002 1.00 0.00 C ATOM 1168 NE ARG A 76 3.677 -13.837 0.097 1.00 0.00 N ATOM 1169 CZ ARG A 76 4.777 -14.410 -0.391 1.00 0.00 C ATOM 1170 NH1 ARG A 76 4.707 -15.584 -1.006 1.00 0.00 N ATOM 1171 NH2 ARG A 76 5.949 -13.805 -0.264 1.00 0.00 N ATOM 0 H ARG A 76 -2.552 -13.683 0.363 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.647 -12.864 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.478 -14.772 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.006 -13.473 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.740 -12.883 1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.431 -14.510 1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.410 -15.505 0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.927 -14.223 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 76 3.774 -12.936 0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.807 -16.054 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.553 -16.017 -1.377 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.008 -12.902 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.792 -14.242 -0.637 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.233 -10.956 -0.241 1.00 0.00 N ATOM 1186 CA VAL A 77 -1.035 -9.596 -0.736 1.00 0.00 C ATOM 1187 C VAL A 77 -2.388 -8.918 -1.009 1.00 0.00 C ATOM 1188 O VAL A 77 -3.222 -9.466 -1.730 1.00 0.00 O ATOM 1189 CB VAL A 77 -0.149 -9.590 -2.029 1.00 0.00 C ATOM 1190 CG1 VAL A 77 0.406 -10.979 -2.321 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.914 -9.064 -3.237 1.00 0.00 C ATOM 0 H VAL A 77 -1.839 -11.538 -0.819 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.512 -9.031 0.035 1.00 0.00 H new ATOM 0 HB VAL A 77 0.685 -8.914 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.017 -10.945 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.017 -11.310 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.418 -11.677 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.265 -9.076 -4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.783 -9.696 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.243 -8.043 -3.043 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.634 -7.720 -0.431 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.900 -6.977 -0.612 1.00 0.00 C ATOM 1203 C PRO A 78 -4.277 -6.666 -2.026 1.00 0.00 C ATOM 1204 O PRO A 78 -4.324 -5.481 -2.373 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.616 -5.648 0.095 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.659 -6.018 1.158 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.723 -6.977 0.481 1.00 0.00 C ATOM 0 HA PRO A 78 -4.727 -7.578 -0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.191 -4.913 -0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.525 -5.211 0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.130 -5.145 1.541 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.163 -6.482 2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.935 -6.459 -0.065 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.233 -7.639 1.195 1.00 0.00 H new ATOM 1215 N THR A 79 -4.643 -7.643 -2.858 1.00 0.00 N ATOM 1216 CA THR A 79 -5.077 -7.171 -4.133 1.00 0.00 C ATOM 1217 C THR A 79 -6.583 -7.296 -4.259 1.00 0.00 C ATOM 1218 O THR A 79 -7.134 -8.361 -4.539 1.00 0.00 O ATOM 1219 CB THR A 79 -4.409 -7.983 -5.245 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.031 -7.683 -5.321 1.00 0.00 O ATOM 1221 CG2 THR A 79 -5.014 -7.743 -6.615 1.00 0.00 C ATOM 0 H THR A 79 -4.646 -8.649 -2.688 1.00 0.00 H new ATOM 0 HA THR A 79 -4.796 -6.122 -4.226 1.00 0.00 H new ATOM 0 HB THR A 79 -4.572 -9.027 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.540 -8.474 -5.626 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.492 -8.350 -7.355 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.069 -8.017 -6.600 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.916 -6.689 -6.876 1.00 0.00 H new ATOM 1229 N ILE A 80 -7.201 -6.135 -4.178 1.00 0.00 N ATOM 1230 CA ILE A 80 -8.631 -5.952 -4.408 1.00 0.00 C ATOM 1231 C ILE A 80 -8.862 -4.809 -5.403 1.00 0.00 C ATOM 1232 O ILE A 80 -8.914 -3.667 -4.965 1.00 0.00 O ATOM 1233 CB ILE A 80 -9.384 -5.670 -3.089 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.398 -6.926 -2.214 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -10.808 -5.201 -3.363 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -9.964 -8.142 -2.914 1.00 0.00 C ATOM 0 H ILE A 80 -6.717 -5.268 -3.945 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.025 -6.878 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.861 -4.873 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.381 -7.144 -1.889 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.984 -6.728 -1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.316 -5.009 -2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.782 -4.285 -3.953 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.346 -5.973 -3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.943 -8.995 -2.236 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.992 -7.943 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.364 -8.366 -3.796 1.00 0.00 H new ATOM 1248 N PHE A 81 -9.069 -5.066 -6.689 1.00 0.00 N ATOM 1249 CA PHE A 81 -9.334 -3.966 -7.638 1.00 0.00 C ATOM 1250 C PHE A 81 -9.711 -4.525 -9.005 1.00 0.00 C ATOM 1251 O PHE A 81 -8.793 -4.783 -9.812 1.00 0.00 O ATOM 1252 CB PHE A 81 -8.134 -2.980 -7.803 1.00 0.00 C ATOM 1253 CG PHE A 81 -7.158 -2.895 -6.644 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -7.446 -2.151 -5.499 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -5.955 -3.576 -6.700 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -6.556 -2.105 -4.438 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -5.064 -3.538 -5.638 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.368 -2.804 -4.501 1.00 0.00 C ATOM 1259 OXT PHE A 81 -10.921 -4.700 -9.258 1.00 0.00 O ATOM 0 H PHE A 81 -9.061 -5.999 -7.102 1.00 0.00 H new ATOM 0 HA PHE A 81 -10.162 -3.398 -7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.578 -3.267 -8.696 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.535 -1.983 -7.984 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.375 -1.604 -5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.706 -4.145 -7.583 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.792 -1.521 -3.561 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -4.132 -4.081 -5.696 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.679 -2.780 -3.670 1.00 0.00 H new