USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=23 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 -36:sc= -1.88 USER MOD Set 1.2: A 12 CYS SG : rot 97:sc= -5.96! USER MOD Set 1.3: A 14 ASN : amide:sc= -12! C(o=-42!,f=-38!) USER MOD Set 1.4: A 62 CYS SG : rot -176:sc= -4.16! USER MOD Set 1.5: A 65 HIS : no HE2:sc= -18.1! C(o=-42!,f=-39!) USER MOD Set 2.1: A 42 SER OG : rot 132:sc= -0.549! USER MOD Set 2.2: A 59 HIS : no HD1:sc= -11.1! C(o=-12!,f=-5.8!) USER MOD Set 3.1: A 6 THR OG1 : rot 101:sc= -0.0617 USER MOD Set 3.2: A 15 ASN : amide:sc= -4.93! C(o=-5.5!,f=-22!) USER MOD Set 3.3: A 17 HIS : no HE2:sc= -0.548 K(o=-5.5,f=-15!) USER MOD Single : A 8 CYS SG : rot -42:sc= 0.116 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 111:sc= -5.91! USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0272) USER MOD Single : A 23 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.059) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= -0.301 (180deg=-0.851) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -3.66 K(o=-3.7,f=-8!) USER MOD Single : A 52 THR OG1 : rot 180:sc=0.000434 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 169:sc= 0.115 USER MOD Single : A 67 GLN : amide:sc= -0.427 X(o=-0.43,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 1.37 (180deg=0.877) USER MOD Single : A 72 THR OG1 : rot -62:sc= 1.12 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 74 THR OG1 : rot 70:sc= -1.26! USER MOD Single : A 79 THR OG1 : rot -37:sc= 0.917 USER MOD ----------------------------------------------------------------- ATOM 35 N GLY A 4 3.867 12.190 1.694 1.00 0.00 N ATOM 36 CA GLY A 4 3.035 11.248 0.968 1.00 0.00 C ATOM 37 C GLY A 4 3.866 10.280 0.124 1.00 0.00 C ATOM 38 O GLY A 4 5.094 10.366 0.129 1.00 0.00 O ATOM 0 HA2 GLY A 4 2.427 10.683 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.348 11.794 0.322 1.00 0.00 H new ATOM 42 N PHE A 5 3.219 9.343 -0.594 1.00 0.00 N ATOM 43 CA PHE A 5 3.961 8.374 -1.411 1.00 0.00 C ATOM 44 C PHE A 5 3.137 7.760 -2.573 1.00 0.00 C ATOM 45 O PHE A 5 3.709 7.132 -3.463 1.00 0.00 O ATOM 46 CB PHE A 5 4.511 7.251 -0.523 1.00 0.00 C ATOM 47 CG PHE A 5 4.743 7.646 0.911 1.00 0.00 C ATOM 48 CD1 PHE A 5 3.682 7.748 1.798 1.00 0.00 C ATOM 49 CD2 PHE A 5 6.023 7.909 1.369 1.00 0.00 C ATOM 50 CE1 PHE A 5 3.896 8.110 3.114 1.00 0.00 C ATOM 51 CE2 PHE A 5 6.244 8.270 2.684 1.00 0.00 C ATOM 52 CZ PHE A 5 5.178 8.371 3.558 1.00 0.00 C ATOM 0 H PHE A 5 2.205 9.239 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 5 4.773 8.935 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.816 6.412 -0.548 1.00 0.00 H new ATOM 0 HB3 PHE A 5 5.451 6.898 -0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.678 7.542 1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.859 7.831 0.690 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.062 8.189 3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.247 8.473 3.028 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.347 8.654 4.587 1.00 0.00 H new ATOM 62 N THR A 6 1.810 7.935 -2.570 1.00 0.00 N ATOM 63 CA THR A 6 0.938 7.389 -3.634 1.00 0.00 C ATOM 64 C THR A 6 0.712 5.874 -3.480 1.00 0.00 C ATOM 65 O THR A 6 1.612 5.073 -3.737 1.00 0.00 O ATOM 66 CB THR A 6 1.526 7.688 -5.016 1.00 0.00 C ATOM 67 OG1 THR A 6 2.355 8.836 -4.972 1.00 0.00 O ATOM 68 CG2 THR A 6 0.471 7.923 -6.075 1.00 0.00 C ATOM 0 H THR A 6 1.310 8.450 -1.845 1.00 0.00 H new ATOM 0 HA THR A 6 -0.030 7.881 -3.536 1.00 0.00 H new ATOM 0 HB THR A 6 2.098 6.800 -5.285 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.295 8.560 -4.946 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.954 8.129 -7.030 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.154 7.035 -6.169 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.148 8.774 -5.790 1.00 0.00 H new ATOM 76 N CYS A 7 -0.513 5.495 -3.061 1.00 0.00 N ATOM 77 CA CYS A 7 -0.872 4.089 -2.877 1.00 0.00 C ATOM 78 C CYS A 7 -1.275 3.504 -4.219 1.00 0.00 C ATOM 79 O CYS A 7 -1.817 2.400 -4.288 1.00 0.00 O ATOM 80 CB CYS A 7 -2.029 3.884 -1.857 1.00 0.00 C ATOM 81 SG CYS A 7 -2.596 2.162 -1.823 1.00 0.00 S ATOM 0 H CYS A 7 -1.265 6.150 -2.846 1.00 0.00 H new ATOM 0 HA CYS A 7 0.003 3.580 -2.471 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.693 4.176 -0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.863 4.537 -2.116 1.00 0.00 H new ATOM 0 HG CYS A 7 -2.534 1.661 -3.021 1.00 0.00 H new ATOM 86 N CYS A 8 -1.038 4.246 -5.304 1.00 0.00 N ATOM 87 CA CYS A 8 -1.432 3.759 -6.609 1.00 0.00 C ATOM 88 C CYS A 8 -2.898 3.342 -6.511 1.00 0.00 C ATOM 89 O CYS A 8 -3.361 2.406 -7.157 1.00 0.00 O ATOM 90 CB CYS A 8 -0.520 2.599 -7.001 1.00 0.00 C ATOM 91 SG CYS A 8 -1.006 1.715 -8.502 1.00 0.00 S ATOM 0 H CYS A 8 -0.587 5.161 -5.298 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.333 4.520 -7.383 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.492 2.982 -7.135 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.486 1.889 -6.175 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.294 1.542 -8.506 1.00 0.00 H new ATOM 97 N VAL A 9 -3.586 4.067 -5.629 1.00 0.00 N ATOM 98 CA VAL A 9 -4.990 3.858 -5.308 1.00 0.00 C ATOM 99 C VAL A 9 -5.891 4.365 -6.428 1.00 0.00 C ATOM 100 O VAL A 9 -6.131 5.567 -6.549 1.00 0.00 O ATOM 101 CB VAL A 9 -5.305 4.597 -3.972 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.594 5.931 -3.942 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.794 4.810 -3.721 1.00 0.00 C ATOM 0 H VAL A 9 -3.167 4.836 -5.106 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.183 2.791 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.944 3.947 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.819 6.442 -3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.518 5.772 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.932 6.542 -4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.932 5.330 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.217 5.408 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.298 3.844 -3.682 1.00 0.00 H new ATOM 113 N PRO A 10 -6.425 3.445 -7.250 1.00 0.00 N ATOM 114 CA PRO A 10 -7.325 3.798 -8.341 1.00 0.00 C ATOM 115 C PRO A 10 -8.744 3.974 -7.830 1.00 0.00 C ATOM 116 O PRO A 10 -9.655 4.336 -8.575 1.00 0.00 O ATOM 117 CB PRO A 10 -7.228 2.586 -9.260 1.00 0.00 C ATOM 118 CG PRO A 10 -7.016 1.441 -8.331 1.00 0.00 C ATOM 119 CD PRO A 10 -6.224 1.982 -7.165 1.00 0.00 C ATOM 0 HA PRO A 10 -7.067 4.736 -8.832 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.136 2.459 -9.849 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.403 2.685 -9.965 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.969 1.030 -7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.477 0.633 -8.826 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.585 1.583 -6.217 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.169 1.718 -7.241 1.00 0.00 H new ATOM 127 N GLY A 11 -8.915 3.704 -6.539 1.00 0.00 N ATOM 128 CA GLY A 11 -10.209 3.823 -5.917 1.00 0.00 C ATOM 129 C GLY A 11 -10.203 3.405 -4.456 1.00 0.00 C ATOM 130 O GLY A 11 -11.169 3.672 -3.741 1.00 0.00 O ATOM 0 H GLY A 11 -8.168 3.403 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.550 4.856 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.927 3.210 -6.462 1.00 0.00 H new ATOM 134 N CYS A 12 -9.135 2.738 -3.995 1.00 0.00 N ATOM 135 CA CYS A 12 -9.099 2.308 -2.606 1.00 0.00 C ATOM 136 C CYS A 12 -9.126 3.501 -1.644 1.00 0.00 C ATOM 137 O CYS A 12 -8.331 4.427 -1.733 1.00 0.00 O ATOM 138 CB CYS A 12 -7.935 1.332 -2.276 1.00 0.00 C ATOM 139 SG CYS A 12 -6.273 1.751 -2.888 1.00 0.00 S ATOM 0 H CYS A 12 -8.314 2.495 -4.549 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.012 1.731 -2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.877 1.235 -1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.199 0.351 -2.671 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.601 2.346 -1.947 1.00 0.00 H new ATOM 144 N TYR A 13 -10.091 3.442 -0.737 1.00 0.00 N ATOM 145 CA TYR A 13 -10.360 4.452 0.283 1.00 0.00 C ATOM 146 C TYR A 13 -9.480 5.710 0.257 1.00 0.00 C ATOM 147 O TYR A 13 -9.973 6.822 0.061 1.00 0.00 O ATOM 148 CB TYR A 13 -10.234 3.797 1.660 1.00 0.00 C ATOM 149 CG TYR A 13 -11.291 4.246 2.644 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.630 4.295 2.281 1.00 0.00 C ATOM 151 CD2 TYR A 13 -10.947 4.618 3.937 1.00 0.00 C ATOM 152 CE1 TYR A 13 -13.597 4.704 3.178 1.00 0.00 C ATOM 153 CE2 TYR A 13 -11.908 5.029 4.841 1.00 0.00 C ATOM 154 CZ TYR A 13 -13.232 5.071 4.456 1.00 0.00 C ATOM 155 OH TYR A 13 -14.193 5.478 5.353 1.00 0.00 O ATOM 0 H TYR A 13 -10.738 2.655 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.365 4.812 0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.293 2.715 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.249 4.020 2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.920 4.009 1.281 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.911 4.586 4.241 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.635 4.736 2.880 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.624 5.316 5.843 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.769 5.700 6.208 1.00 0.00 H new ATOM 165 N ASN A 14 -8.219 5.534 0.572 1.00 0.00 N ATOM 166 CA ASN A 14 -7.268 6.637 0.723 1.00 0.00 C ATOM 167 C ASN A 14 -6.034 6.520 -0.181 1.00 0.00 C ATOM 168 O ASN A 14 -5.733 5.438 -0.661 1.00 0.00 O ATOM 169 CB ASN A 14 -6.834 6.760 2.162 1.00 0.00 C ATOM 170 CG ASN A 14 -7.599 5.855 3.094 1.00 0.00 C ATOM 171 OD1 ASN A 14 -8.482 6.296 3.828 1.00 0.00 O ATOM 172 ND2 ASN A 14 -7.264 4.583 3.065 1.00 0.00 N ATOM 0 H ASN A 14 -7.808 4.615 0.735 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.799 7.535 0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.771 6.530 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.960 7.793 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.744 3.915 3.669 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.525 4.265 2.439 1.00 0.00 H new ATOM 179 N ASN A 15 -5.316 7.625 -0.452 1.00 0.00 N ATOM 180 CA ASN A 15 -4.144 7.520 -1.315 1.00 0.00 C ATOM 181 C ASN A 15 -2.860 7.648 -0.447 1.00 0.00 C ATOM 182 O ASN A 15 -2.944 8.103 0.692 1.00 0.00 O ATOM 183 CB ASN A 15 -4.179 8.621 -2.380 1.00 0.00 C ATOM 184 CG ASN A 15 -2.976 8.591 -3.303 1.00 0.00 C ATOM 185 OD1 ASN A 15 -1.845 8.807 -2.874 1.00 0.00 O ATOM 186 ND2 ASN A 15 -3.220 8.336 -4.584 1.00 0.00 N ATOM 0 H ASN A 15 -5.520 8.560 -0.099 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.144 6.553 -1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.088 8.517 -2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.229 9.593 -1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.452 8.314 -5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.175 8.162 -4.896 1.00 0.00 H new ATOM 193 N SER A 16 -1.676 7.203 -0.947 1.00 0.00 N ATOM 194 CA SER A 16 -0.452 7.241 -0.167 1.00 0.00 C ATOM 195 C SER A 16 0.148 8.658 -0.102 1.00 0.00 C ATOM 196 O SER A 16 1.098 8.882 0.647 1.00 0.00 O ATOM 197 CB SER A 16 0.572 6.232 -0.762 1.00 0.00 C ATOM 198 OG SER A 16 1.889 6.567 -0.383 1.00 0.00 O ATOM 0 H SER A 16 -1.564 6.819 -1.885 1.00 0.00 H new ATOM 0 HA SER A 16 -0.691 6.955 0.857 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.336 5.224 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.493 6.226 -1.849 1.00 0.00 H new ATOM 0 HG SER A 16 2.232 5.892 0.240 1.00 0.00 H new ATOM 204 N HIS A 17 -0.382 9.618 -0.887 1.00 0.00 N ATOM 205 CA HIS A 17 0.161 10.982 -0.883 1.00 0.00 C ATOM 206 C HIS A 17 -0.888 12.048 -1.224 1.00 0.00 C ATOM 207 O HIS A 17 -0.541 13.080 -1.800 1.00 0.00 O ATOM 208 CB HIS A 17 1.317 11.100 -1.896 1.00 0.00 C ATOM 209 CG HIS A 17 0.869 11.362 -3.304 1.00 0.00 C ATOM 210 ND1 HIS A 17 -0.289 10.833 -3.835 1.00 0.00 N ATOM 211 CD2 HIS A 17 1.429 12.103 -4.289 1.00 0.00 C ATOM 212 CE1 HIS A 17 -0.422 11.238 -5.087 1.00 0.00 C ATOM 213 NE2 HIS A 17 0.607 12.011 -5.385 1.00 0.00 N ATOM 0 H HIS A 17 -1.170 9.474 -1.519 1.00 0.00 H new ATOM 0 HA HIS A 17 0.511 11.164 0.133 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.982 11.904 -1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.900 10.179 -1.876 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -0.941 10.225 -3.340 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.351 12.662 -4.225 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.233 10.981 -5.752 1.00 0.00 H new ATOM 222 N ARG A 18 -2.158 11.826 -0.892 1.00 0.00 N ATOM 223 CA ARG A 18 -3.173 12.826 -1.219 1.00 0.00 C ATOM 224 C ARG A 18 -3.551 13.693 -0.005 1.00 0.00 C ATOM 225 O ARG A 18 -3.479 14.919 -0.094 1.00 0.00 O ATOM 226 CB ARG A 18 -4.397 12.179 -1.910 1.00 0.00 C ATOM 227 CG ARG A 18 -5.502 11.679 -0.986 1.00 0.00 C ATOM 228 CD ARG A 18 -6.851 11.656 -1.693 1.00 0.00 C ATOM 229 NE ARG A 18 -7.108 12.886 -2.439 1.00 0.00 N ATOM 230 CZ ARG A 18 -7.956 12.969 -3.462 1.00 0.00 C ATOM 231 NH1 ARG A 18 -8.641 11.903 -3.856 1.00 0.00 N ATOM 232 NH2 ARG A 18 -8.124 14.124 -4.092 1.00 0.00 N ATOM 0 H ARG A 18 -2.502 10.993 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.736 13.514 -1.942 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.828 12.907 -2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.048 11.340 -2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.257 10.677 -0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.561 12.321 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.887 10.806 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.642 11.508 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.609 13.730 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.520 11.012 -3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.289 11.974 -4.641 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.604 14.949 -3.793 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.774 14.188 -4.876 1.00 0.00 H new ATOM 246 N ASP A 19 -3.983 13.094 1.108 1.00 0.00 N ATOM 247 CA ASP A 19 -4.391 13.900 2.272 1.00 0.00 C ATOM 248 C ASP A 19 -3.566 13.713 3.564 1.00 0.00 C ATOM 249 O ASP A 19 -3.925 14.311 4.578 1.00 0.00 O ATOM 250 CB ASP A 19 -5.852 13.608 2.570 1.00 0.00 C ATOM 251 CG ASP A 19 -6.787 14.634 1.957 1.00 0.00 C ATOM 252 OD1 ASP A 19 -6.614 15.839 2.239 1.00 0.00 O ATOM 253 OD2 ASP A 19 -7.693 14.231 1.196 1.00 0.00 O ATOM 0 H ASP A 19 -4.060 12.084 1.232 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.210 14.934 1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.106 12.618 2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.001 13.584 3.649 1.00 0.00 H new ATOM 258 N LYS A 20 -2.489 12.913 3.567 1.00 0.00 N ATOM 259 CA LYS A 20 -1.686 12.693 4.770 1.00 0.00 C ATOM 260 C LYS A 20 -2.538 12.570 6.047 1.00 0.00 C ATOM 261 O LYS A 20 -2.004 12.636 7.155 1.00 0.00 O ATOM 262 CB LYS A 20 -0.659 13.821 4.921 1.00 0.00 C ATOM 263 CG LYS A 20 -1.252 15.143 5.392 1.00 0.00 C ATOM 264 CD LYS A 20 -0.355 15.827 6.410 1.00 0.00 C ATOM 265 CE LYS A 20 -0.953 17.141 6.888 1.00 0.00 C ATOM 266 NZ LYS A 20 -0.924 18.185 5.825 1.00 0.00 N ATOM 0 H LYS A 20 -2.157 12.408 2.745 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.175 11.739 4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.108 13.507 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.164 13.978 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.400 15.801 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.234 14.966 5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.200 15.165 7.262 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.624 16.011 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.982 16.977 7.207 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.402 17.495 7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.246 19.092 6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.047 18.288 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.553 17.904 5.046 1.00 0.00 H new ATOM 280 N ALA A 21 -3.859 12.406 5.899 1.00 0.00 N ATOM 281 CA ALA A 21 -4.745 12.297 7.065 1.00 0.00 C ATOM 282 C ALA A 21 -5.693 11.077 7.031 1.00 0.00 C ATOM 283 O ALA A 21 -6.742 11.102 7.674 1.00 0.00 O ATOM 284 CB ALA A 21 -5.561 13.572 7.208 1.00 0.00 C ATOM 0 H ALA A 21 -4.332 12.347 4.997 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.093 12.150 7.926 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.218 13.489 8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.890 14.420 7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.161 13.722 6.311 1.00 0.00 H new ATOM 290 N LEU A 22 -5.342 10.016 6.298 1.00 0.00 N ATOM 291 CA LEU A 22 -6.188 8.822 6.217 1.00 0.00 C ATOM 292 C LEU A 22 -5.529 7.665 7.018 1.00 0.00 C ATOM 293 O LEU A 22 -4.614 7.934 7.799 1.00 0.00 O ATOM 294 CB LEU A 22 -6.423 8.499 4.729 1.00 0.00 C ATOM 295 CG LEU A 22 -6.377 9.727 3.809 1.00 0.00 C ATOM 296 CD1 LEU A 22 -5.615 9.415 2.525 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.804 10.217 3.529 1.00 0.00 C ATOM 0 H LEU A 22 -4.481 9.960 5.754 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.165 8.983 6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.670 7.783 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.393 8.014 4.622 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.837 10.531 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.596 10.300 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.594 9.122 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.110 8.600 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.768 11.089 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.373 9.424 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.287 10.487 4.468 1.00 0.00 H new ATOM 309 N HIS A 23 -5.973 6.393 6.880 1.00 0.00 N ATOM 310 CA HIS A 23 -5.372 5.311 7.663 1.00 0.00 C ATOM 311 C HIS A 23 -4.340 4.541 6.811 1.00 0.00 C ATOM 312 O HIS A 23 -4.619 4.246 5.649 1.00 0.00 O ATOM 313 CB HIS A 23 -6.469 4.350 8.129 1.00 0.00 C ATOM 314 CG HIS A 23 -6.540 4.201 9.617 1.00 0.00 C ATOM 315 ND1 HIS A 23 -7.720 3.985 10.297 1.00 0.00 N ATOM 316 CD2 HIS A 23 -5.567 4.239 10.559 1.00 0.00 C ATOM 317 CE1 HIS A 23 -7.471 3.901 11.593 1.00 0.00 C ATOM 318 NE2 HIS A 23 -6.173 4.051 11.777 1.00 0.00 N ATOM 0 H HIS A 23 -6.723 6.106 6.251 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.865 5.740 8.528 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.432 4.704 7.761 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.297 3.371 7.682 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.512 4.389 10.385 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.205 3.738 12.368 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.696 4.031 12.679 1.00 0.00 H new ATOM 327 N PHE A 24 -3.136 4.230 7.349 1.00 0.00 N ATOM 328 CA PHE A 24 -2.136 3.531 6.551 1.00 0.00 C ATOM 329 C PHE A 24 -1.539 2.283 7.259 1.00 0.00 C ATOM 330 O PHE A 24 -1.136 2.377 8.418 1.00 0.00 O ATOM 331 CB PHE A 24 -1.018 4.510 6.197 1.00 0.00 C ATOM 332 CG PHE A 24 -1.516 5.733 5.475 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.169 6.741 6.166 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.344 5.868 4.106 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.638 7.862 5.505 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.812 6.984 3.442 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.459 7.982 4.141 1.00 0.00 C ATOM 0 H PHE A 24 -2.852 4.450 8.304 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.636 3.162 5.655 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.508 4.816 7.110 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.281 4.002 5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.313 6.650 7.232 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.838 5.091 3.553 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.143 8.642 6.055 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.672 7.076 2.375 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.825 8.856 3.622 1.00 0.00 H new ATOM 347 N TYR A 25 -1.425 1.126 6.557 1.00 0.00 N ATOM 348 CA TYR A 25 -0.817 -0.072 7.140 1.00 0.00 C ATOM 349 C TYR A 25 0.703 0.011 6.919 1.00 0.00 C ATOM 350 O TYR A 25 1.136 0.718 6.012 1.00 0.00 O ATOM 351 CB TYR A 25 -1.376 -1.355 6.508 1.00 0.00 C ATOM 352 CG TYR A 25 -2.834 -1.619 6.826 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.796 -0.627 6.673 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.249 -2.867 7.277 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.126 -0.871 6.961 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.577 -3.119 7.566 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.512 -2.117 7.406 1.00 0.00 C ATOM 358 OH TYR A 25 -6.835 -2.364 7.693 1.00 0.00 O ATOM 0 H TYR A 25 -1.747 1.010 5.596 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.050 -0.113 8.204 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.256 -1.296 5.426 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.782 -2.203 6.848 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.499 0.351 6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.520 -3.654 7.404 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.860 -0.088 6.838 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.881 -4.095 7.915 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.937 -3.291 7.993 1.00 0.00 H new ATOM 368 N THR A 26 1.530 -0.664 7.733 1.00 0.00 N ATOM 369 CA THR A 26 2.984 -0.559 7.563 1.00 0.00 C ATOM 370 C THR A 26 3.572 -1.810 6.898 1.00 0.00 C ATOM 371 O THR A 26 2.849 -2.764 6.608 1.00 0.00 O ATOM 372 CB THR A 26 3.677 -0.275 8.908 1.00 0.00 C ATOM 373 OG1 THR A 26 4.379 -1.414 9.375 1.00 0.00 O ATOM 374 CG2 THR A 26 2.722 0.152 10.006 1.00 0.00 C ATOM 0 H THR A 26 1.227 -1.271 8.494 1.00 0.00 H new ATOM 0 HA THR A 26 3.172 0.283 6.897 1.00 0.00 H new ATOM 0 HB THR A 26 4.359 0.549 8.698 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.811 -1.205 10.230 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.281 0.335 10.924 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.208 1.065 9.706 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.990 -0.637 10.178 1.00 0.00 H new ATOM 382 N PHE A 27 4.871 -1.754 6.561 1.00 0.00 N ATOM 383 CA PHE A 27 5.518 -2.831 5.824 1.00 0.00 C ATOM 384 C PHE A 27 6.148 -3.968 6.666 1.00 0.00 C ATOM 385 O PHE A 27 6.911 -3.697 7.592 1.00 0.00 O ATOM 386 CB PHE A 27 6.597 -2.216 4.946 1.00 0.00 C ATOM 387 CG PHE A 27 6.339 -2.324 3.470 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.046 -2.392 2.983 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.389 -2.375 2.568 1.00 0.00 C ATOM 390 CE1 PHE A 27 4.810 -2.504 1.633 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.155 -2.493 1.225 1.00 0.00 C ATOM 392 CZ PHE A 27 5.861 -2.557 0.754 1.00 0.00 C ATOM 0 H PHE A 27 5.485 -0.973 6.790 1.00 0.00 H new ATOM 0 HA PHE A 27 4.720 -3.317 5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.703 -1.163 5.207 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.549 -2.697 5.171 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.213 -2.357 3.670 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.405 -2.321 2.929 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.796 -2.550 1.265 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.984 -2.536 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.675 -2.649 -0.306 1.00 0.00 H new ATOM 402 N PRO A 28 5.838 -5.270 6.352 1.00 0.00 N ATOM 403 CA PRO A 28 6.389 -6.433 7.085 1.00 0.00 C ATOM 404 C PRO A 28 7.893 -6.291 7.390 1.00 0.00 C ATOM 405 O PRO A 28 8.536 -5.344 6.939 1.00 0.00 O ATOM 406 CB PRO A 28 6.180 -7.565 6.056 1.00 0.00 C ATOM 407 CG PRO A 28 4.877 -7.221 5.448 1.00 0.00 C ATOM 408 CD PRO A 28 4.868 -5.725 5.314 1.00 0.00 C ATOM 0 HA PRO A 28 5.917 -6.578 8.056 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.978 -7.589 5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.158 -8.545 6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.760 -7.701 4.476 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.052 -7.562 6.073 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.173 -5.411 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.874 -5.314 5.488 1.00 0.00 H new ATOM 416 N LYS A 29 8.448 -7.234 8.169 1.00 0.00 N ATOM 417 CA LYS A 29 9.866 -7.200 8.544 1.00 0.00 C ATOM 418 C LYS A 29 10.753 -7.797 7.461 1.00 0.00 C ATOM 419 O LYS A 29 11.929 -7.456 7.341 1.00 0.00 O ATOM 420 CB LYS A 29 10.096 -7.977 9.836 1.00 0.00 C ATOM 421 CG LYS A 29 9.279 -9.256 9.947 1.00 0.00 C ATOM 422 CD LYS A 29 8.259 -9.174 11.072 1.00 0.00 C ATOM 423 CE LYS A 29 8.928 -9.240 12.436 1.00 0.00 C ATOM 424 NZ LYS A 29 9.952 -10.318 12.502 1.00 0.00 N ATOM 0 H LYS A 29 7.934 -8.028 8.550 1.00 0.00 H new ATOM 0 HA LYS A 29 10.130 -6.151 8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.154 -8.227 9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.858 -7.332 10.682 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.766 -9.444 9.004 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.946 -10.100 10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.695 -8.245 10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.544 -9.991 10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.396 -8.281 12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.172 -9.410 13.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.040 -10.654 13.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.664 -11.108 11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.868 -9.946 12.180 1.00 0.00 H new ATOM 438 N ASP A 30 10.181 -8.703 6.696 1.00 0.00 N ATOM 439 CA ASP A 30 10.909 -9.386 5.629 1.00 0.00 C ATOM 440 C ASP A 30 10.974 -8.494 4.384 1.00 0.00 C ATOM 441 O ASP A 30 9.945 -8.180 3.785 1.00 0.00 O ATOM 442 CB ASP A 30 10.200 -10.714 5.275 1.00 0.00 C ATOM 443 CG ASP A 30 9.045 -11.052 6.203 1.00 0.00 C ATOM 444 OD1 ASP A 30 9.243 -11.023 7.436 1.00 0.00 O ATOM 445 OD2 ASP A 30 7.942 -11.346 5.693 1.00 0.00 O ATOM 0 H ASP A 30 9.207 -8.990 6.789 1.00 0.00 H new ATOM 0 HA ASP A 30 11.921 -9.597 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.828 -10.657 4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.928 -11.524 5.305 1.00 0.00 H new ATOM 450 N ALA A 31 12.189 -8.064 4.009 1.00 0.00 N ATOM 451 CA ALA A 31 12.375 -7.191 2.861 1.00 0.00 C ATOM 452 C ALA A 31 11.519 -7.611 1.627 1.00 0.00 C ATOM 453 O ALA A 31 10.607 -6.895 1.249 1.00 0.00 O ATOM 454 CB ALA A 31 13.873 -7.069 2.546 1.00 0.00 C ATOM 0 H ALA A 31 13.053 -8.313 4.491 1.00 0.00 H new ATOM 0 HA ALA A 31 12.001 -6.201 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.012 -6.415 1.685 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.393 -6.651 3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.279 -8.055 2.321 1.00 0.00 H new ATOM 460 N GLU A 32 11.779 -8.756 0.989 1.00 0.00 N ATOM 461 CA GLU A 32 10.988 -9.149 -0.196 1.00 0.00 C ATOM 462 C GLU A 32 9.500 -9.050 0.013 1.00 0.00 C ATOM 463 O GLU A 32 8.877 -8.233 -0.666 1.00 0.00 O ATOM 464 CB GLU A 32 11.405 -10.534 -0.707 1.00 0.00 C ATOM 465 CG GLU A 32 10.518 -11.098 -1.808 1.00 0.00 C ATOM 466 CD GLU A 32 9.377 -11.938 -1.266 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.330 -12.157 -0.038 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.531 -12.381 -2.072 1.00 0.00 O ATOM 0 H GLU A 32 12.509 -9.416 1.258 1.00 0.00 H new ATOM 0 HA GLU A 32 11.219 -8.419 -0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.429 -10.477 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.408 -11.230 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.111 -10.277 -2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.123 -11.705 -2.481 1.00 0.00 H new ATOM 475 N LEU A 33 8.886 -9.812 0.921 1.00 0.00 N ATOM 476 CA LEU A 33 7.459 -9.655 1.086 1.00 0.00 C ATOM 477 C LEU A 33 7.105 -8.174 0.937 1.00 0.00 C ATOM 478 O LEU A 33 6.131 -7.794 0.291 1.00 0.00 O ATOM 479 CB LEU A 33 7.016 -10.167 2.469 1.00 0.00 C ATOM 480 CG LEU A 33 5.537 -10.528 2.606 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.800 -10.394 1.283 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.385 -11.935 3.127 1.00 0.00 C ATOM 0 H LEU A 33 9.334 -10.506 1.520 1.00 0.00 H new ATOM 0 HA LEU A 33 6.940 -10.239 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.609 -11.048 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.254 -9.404 3.210 1.00 0.00 H new ATOM 0 HG LEU A 33 5.097 -9.826 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.752 -10.659 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.870 -9.365 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.249 -11.061 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.326 -12.177 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.858 -12.632 2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.861 -12.015 4.104 1.00 0.00 H new ATOM 494 N ARG A 34 7.982 -7.358 1.486 1.00 0.00 N ATOM 495 CA ARG A 34 7.840 -5.906 1.438 1.00 0.00 C ATOM 496 C ARG A 34 7.746 -5.420 0.025 1.00 0.00 C ATOM 497 O ARG A 34 6.728 -4.843 -0.376 1.00 0.00 O ATOM 498 CB ARG A 34 8.976 -5.189 2.234 1.00 0.00 C ATOM 499 CG ARG A 34 10.179 -4.673 1.425 1.00 0.00 C ATOM 500 CD ARG A 34 10.269 -3.158 1.416 1.00 0.00 C ATOM 501 NE ARG A 34 11.655 -2.694 1.428 1.00 0.00 N ATOM 502 CZ ARG A 34 12.516 -2.895 0.433 1.00 0.00 C ATOM 503 NH1 ARG A 34 12.137 -3.540 -0.663 1.00 0.00 N ATOM 504 NH2 ARG A 34 13.760 -2.447 0.533 1.00 0.00 N ATOM 0 H ARG A 34 8.816 -7.677 1.980 1.00 0.00 H new ATOM 0 HA ARG A 34 6.903 -5.647 1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.537 -4.344 2.764 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.348 -5.880 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.097 -5.085 1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.105 -5.035 0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.764 -2.770 0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.745 -2.758 2.284 1.00 0.00 H new ATOM 0 HE ARG A 34 11.982 -2.185 2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.181 -3.885 -0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.802 -3.691 -1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.057 -1.949 1.372 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.420 -2.601 -0.229 1.00 0.00 H new ATOM 518 N ARG A 35 8.776 -5.689 -0.748 1.00 0.00 N ATOM 519 CA ARG A 35 8.765 -5.268 -2.116 1.00 0.00 C ATOM 520 C ARG A 35 7.502 -5.769 -2.773 1.00 0.00 C ATOM 521 O ARG A 35 6.901 -5.075 -3.590 1.00 0.00 O ATOM 522 CB ARG A 35 10.033 -5.698 -2.888 1.00 0.00 C ATOM 523 CG ARG A 35 10.325 -7.193 -2.932 1.00 0.00 C ATOM 524 CD ARG A 35 9.519 -7.903 -4.009 1.00 0.00 C ATOM 525 NE ARG A 35 9.913 -7.471 -5.348 1.00 0.00 N ATOM 526 CZ ARG A 35 9.764 -8.211 -6.444 1.00 0.00 C ATOM 527 NH1 ARG A 35 9.223 -9.421 -6.372 1.00 0.00 N ATOM 528 NH2 ARG A 35 10.158 -7.737 -7.618 1.00 0.00 N ATOM 0 H ARG A 35 9.614 -6.189 -0.452 1.00 0.00 H new ATOM 0 HA ARG A 35 8.776 -4.178 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.948 -5.336 -3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.891 -5.195 -2.442 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.388 -7.349 -3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.100 -7.634 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.658 -8.980 -3.918 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.458 -7.705 -3.860 1.00 0.00 H new ATOM 0 HE ARG A 35 10.328 -6.545 -5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.918 -9.790 -5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.113 -9.981 -7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.574 -6.808 -7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.045 -8.302 -8.460 1.00 0.00 H new ATOM 542 N LEU A 36 7.036 -6.949 -2.363 1.00 0.00 N ATOM 543 CA LEU A 36 5.805 -7.458 -2.961 1.00 0.00 C ATOM 544 C LEU A 36 4.660 -6.496 -2.756 1.00 0.00 C ATOM 545 O LEU A 36 3.994 -6.107 -3.725 1.00 0.00 O ATOM 546 CB LEU A 36 5.472 -8.875 -2.470 1.00 0.00 C ATOM 547 CG LEU A 36 6.494 -9.946 -2.850 1.00 0.00 C ATOM 548 CD1 LEU A 36 6.038 -11.313 -2.366 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.713 -9.958 -4.356 1.00 0.00 C ATOM 0 H LEU A 36 7.467 -7.544 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 36 5.969 -7.537 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.376 -8.854 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.500 -9.163 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 36 7.441 -9.709 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.778 -12.063 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.929 -11.297 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.080 -11.560 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.443 -10.726 -4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.770 -10.172 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.083 -8.984 -4.678 1.00 0.00 H new ATOM 561 N TRP A 37 4.458 -6.038 -1.537 1.00 0.00 N ATOM 562 CA TRP A 37 3.394 -5.098 -1.303 1.00 0.00 C ATOM 563 C TRP A 37 3.596 -3.871 -2.164 1.00 0.00 C ATOM 564 O TRP A 37 2.623 -3.366 -2.751 1.00 0.00 O ATOM 565 CB TRP A 37 3.340 -4.721 0.161 1.00 0.00 C ATOM 566 CG TRP A 37 2.650 -5.763 0.970 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.619 -7.096 0.703 1.00 0.00 C ATOM 568 CD2 TRP A 37 1.882 -5.562 2.153 1.00 0.00 C ATOM 569 NE1 TRP A 37 1.899 -7.750 1.686 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.432 -6.821 2.582 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.541 -4.440 2.897 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.653 -6.976 3.731 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.777 -4.590 4.022 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.340 -5.844 4.437 1.00 0.00 C ATOM 0 H TRP A 37 5.004 -6.296 -0.715 1.00 0.00 H new ATOM 0 HA TRP A 37 2.444 -5.560 -1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.353 -4.578 0.538 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.821 -3.769 0.273 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.086 -7.571 -0.147 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.741 -8.756 1.737 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.875 -3.460 2.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.311 -7.949 4.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.508 -3.718 4.599 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.257 -5.927 5.333 1.00 0.00 H new ATOM 585 N LEU A 38 4.874 -3.432 -2.312 1.00 0.00 N ATOM 586 CA LEU A 38 5.166 -2.288 -3.148 1.00 0.00 C ATOM 587 C LEU A 38 4.216 -2.337 -4.334 1.00 0.00 C ATOM 588 O LEU A 38 3.409 -1.420 -4.555 1.00 0.00 O ATOM 589 CB LEU A 38 6.617 -2.365 -3.627 1.00 0.00 C ATOM 590 CG LEU A 38 7.587 -1.388 -2.956 1.00 0.00 C ATOM 591 CD1 LEU A 38 7.480 -0.017 -3.594 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.325 -1.306 -1.473 1.00 0.00 C ATOM 0 H LEU A 38 5.687 -3.857 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 38 5.036 -1.356 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.981 -3.380 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.636 -2.187 -4.702 1.00 0.00 H new ATOM 0 HG LEU A 38 8.602 -1.759 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.175 0.666 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.725 -0.089 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.463 0.359 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.026 -0.606 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.305 -0.961 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.454 -2.292 -1.026 1.00 0.00 H new ATOM 604 N LYS A 39 4.261 -3.471 -5.055 1.00 0.00 N ATOM 605 CA LYS A 39 3.418 -3.679 -6.196 1.00 0.00 C ATOM 606 C LYS A 39 1.984 -3.167 -6.003 1.00 0.00 C ATOM 607 O LYS A 39 1.563 -2.212 -6.669 1.00 0.00 O ATOM 608 CB LYS A 39 3.462 -5.182 -6.547 1.00 0.00 C ATOM 609 CG LYS A 39 4.455 -5.549 -7.643 1.00 0.00 C ATOM 610 CD LYS A 39 5.697 -4.666 -7.631 1.00 0.00 C ATOM 611 CE LYS A 39 5.677 -3.660 -8.771 1.00 0.00 C ATOM 612 NZ LYS A 39 6.795 -2.681 -8.670 1.00 0.00 N ATOM 0 H LYS A 39 4.885 -4.251 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 39 3.799 -3.086 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.710 -5.745 -5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.466 -5.499 -6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.753 -6.590 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.965 -5.467 -8.613 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.760 -4.138 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.588 -5.289 -7.710 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.742 -4.188 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.726 -3.127 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.745 -2.013 -9.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.719 -2.158 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.703 -3.187 -8.699 1.00 0.00 H new ATOM 626 N ASN A 40 1.245 -3.780 -5.092 1.00 0.00 N ATOM 627 CA ASN A 40 -0.152 -3.404 -4.870 1.00 0.00 C ATOM 628 C ASN A 40 -0.334 -1.943 -4.516 1.00 0.00 C ATOM 629 O ASN A 40 -1.311 -1.313 -4.920 1.00 0.00 O ATOM 630 CB ASN A 40 -0.801 -4.280 -3.782 1.00 0.00 C ATOM 631 CG ASN A 40 0.199 -4.945 -2.855 1.00 0.00 C ATOM 632 OD1 ASN A 40 0.575 -4.387 -1.825 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.632 -6.146 -3.221 1.00 0.00 N ATOM 0 H ASN A 40 1.581 -4.536 -4.495 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.652 -3.572 -5.824 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.478 -3.665 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.406 -5.050 -4.261 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.305 -6.645 -2.639 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.292 -6.570 -4.084 1.00 0.00 H new ATOM 640 N VAL A 41 0.573 -1.424 -3.729 1.00 0.00 N ATOM 641 CA VAL A 41 0.478 -0.049 -3.279 1.00 0.00 C ATOM 642 C VAL A 41 0.943 0.998 -4.273 1.00 0.00 C ATOM 643 O VAL A 41 0.565 2.149 -4.127 1.00 0.00 O ATOM 644 CB VAL A 41 1.157 0.197 -1.922 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.464 0.944 -2.084 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.219 0.987 -1.027 1.00 0.00 C ATOM 0 H VAL A 41 1.389 -1.929 -3.383 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.599 0.081 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 41 1.379 -0.769 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.917 1.101 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.141 0.361 -2.708 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.276 1.909 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.698 1.163 -0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.013 1.943 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.702 0.423 -0.877 1.00 0.00 H new ATOM 656 N SER A 42 1.795 0.655 -5.238 1.00 0.00 N ATOM 657 CA SER A 42 2.291 1.693 -6.156 1.00 0.00 C ATOM 658 C SER A 42 3.564 1.209 -6.907 1.00 0.00 C ATOM 659 O SER A 42 3.410 0.468 -7.880 1.00 0.00 O ATOM 660 CB SER A 42 2.481 3.068 -5.406 1.00 0.00 C ATOM 661 OG SER A 42 3.732 3.658 -5.715 1.00 0.00 O ATOM 0 H SER A 42 2.147 -0.288 -5.406 1.00 0.00 H new ATOM 0 HA SER A 42 1.540 1.874 -6.925 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.677 3.750 -5.684 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.407 2.910 -4.330 1.00 0.00 H new ATOM 0 HG SER A 42 3.600 4.601 -5.948 1.00 0.00 H new ATOM 667 N ARG A 43 4.817 1.573 -6.512 1.00 0.00 N ATOM 668 CA ARG A 43 5.968 1.066 -7.262 1.00 0.00 C ATOM 669 C ARG A 43 7.293 1.329 -6.536 1.00 0.00 C ATOM 670 O ARG A 43 7.311 1.907 -5.449 1.00 0.00 O ATOM 671 CB ARG A 43 5.998 1.676 -8.668 1.00 0.00 C ATOM 672 CG ARG A 43 6.618 3.065 -8.728 1.00 0.00 C ATOM 673 CD ARG A 43 6.135 3.845 -9.942 1.00 0.00 C ATOM 674 NE ARG A 43 6.142 3.035 -11.160 1.00 0.00 N ATOM 675 CZ ARG A 43 5.085 2.364 -11.619 1.00 0.00 C ATOM 676 NH1 ARG A 43 3.931 2.388 -10.962 1.00 0.00 N ATOM 677 NH2 ARG A 43 5.183 1.667 -12.743 1.00 0.00 N ATOM 0 H ARG A 43 5.035 2.181 -5.723 1.00 0.00 H new ATOM 0 HA ARG A 43 5.853 -0.015 -7.343 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.555 1.012 -9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.979 1.727 -9.052 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.369 3.614 -7.820 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.704 2.978 -8.760 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.125 4.211 -9.758 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.770 4.719 -10.086 1.00 0.00 H new ATOM 0 HE ARG A 43 7.011 2.980 -11.692 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.847 2.923 -10.098 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.129 1.871 -11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.065 1.645 -13.254 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.376 1.153 -13.096 1.00 0.00 H new ATOM 784 N THR A 52 10.672 11.812 -5.982 1.00 0.00 N ATOM 785 CA THR A 52 9.888 10.583 -6.082 1.00 0.00 C ATOM 786 C THR A 52 9.502 10.094 -4.682 1.00 0.00 C ATOM 787 O THR A 52 9.901 10.698 -3.686 1.00 0.00 O ATOM 788 CB THR A 52 10.681 9.503 -6.834 1.00 0.00 C ATOM 789 OG1 THR A 52 11.511 8.775 -5.944 1.00 0.00 O ATOM 790 CG2 THR A 52 11.568 10.056 -7.938 1.00 0.00 C ATOM 0 HA THR A 52 8.976 10.789 -6.643 1.00 0.00 H new ATOM 0 HB THR A 52 9.925 8.862 -7.287 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.006 8.092 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.097 9.236 -8.425 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.953 10.578 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A 52 12.291 10.751 -7.510 1.00 0.00 H new ATOM 798 N PHE A 53 8.726 9.007 -4.592 1.00 0.00 N ATOM 799 CA PHE A 53 8.313 8.486 -3.292 1.00 0.00 C ATOM 800 C PHE A 53 9.101 7.230 -2.922 1.00 0.00 C ATOM 801 O PHE A 53 8.561 6.322 -2.297 1.00 0.00 O ATOM 802 CB PHE A 53 6.809 8.183 -3.286 1.00 0.00 C ATOM 803 CG PHE A 53 6.356 7.298 -4.417 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.772 5.977 -4.501 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.503 7.787 -5.393 1.00 0.00 C ATOM 806 CE1 PHE A 53 6.347 5.163 -5.534 1.00 0.00 C ATOM 807 CE2 PHE A 53 5.076 6.981 -6.430 1.00 0.00 C ATOM 808 CZ PHE A 53 5.497 5.666 -6.499 1.00 0.00 C ATOM 0 H PHE A 53 8.378 8.481 -5.393 1.00 0.00 H new ATOM 0 HA PHE A 53 8.523 9.253 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.549 7.708 -2.340 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.260 9.123 -3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.437 5.579 -3.749 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.167 8.812 -5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.679 4.137 -5.586 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.414 7.377 -7.186 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.161 5.033 -7.307 1.00 0.00 H new ATOM 818 N GLN A 54 10.381 7.193 -3.307 1.00 0.00 N ATOM 819 CA GLN A 54 11.266 6.054 -3.021 1.00 0.00 C ATOM 820 C GLN A 54 10.734 5.171 -1.883 1.00 0.00 C ATOM 821 O GLN A 54 10.345 5.678 -0.831 1.00 0.00 O ATOM 822 CB GLN A 54 12.665 6.562 -2.666 1.00 0.00 C ATOM 823 CG GLN A 54 13.677 6.395 -3.785 1.00 0.00 C ATOM 824 CD GLN A 54 15.004 7.057 -3.474 1.00 0.00 C ATOM 825 OE1 GLN A 54 15.052 8.222 -3.078 1.00 0.00 O ATOM 826 NE2 GLN A 54 16.090 6.317 -3.654 1.00 0.00 N ATOM 0 H GLN A 54 10.833 7.947 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 54 11.305 5.440 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.602 7.617 -2.400 1.00 0.00 H new ATOM 0 HB3 GLN A 54 13.022 6.031 -1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.839 5.333 -3.968 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.271 6.818 -4.704 1.00 0.00 H new ATOM 0 HE21 GLN A 54 16.003 5.356 -3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.012 6.709 -3.463 1.00 0.00 H new ATOM 835 N PRO A 55 10.716 3.835 -2.072 1.00 0.00 N ATOM 836 CA PRO A 55 10.232 2.908 -1.049 1.00 0.00 C ATOM 837 C PRO A 55 11.179 2.824 0.139 1.00 0.00 C ATOM 838 O PRO A 55 10.784 2.406 1.227 1.00 0.00 O ATOM 839 CB PRO A 55 10.135 1.551 -1.760 1.00 0.00 C ATOM 840 CG PRO A 55 10.444 1.815 -3.202 1.00 0.00 C ATOM 841 CD PRO A 55 11.172 3.131 -3.275 1.00 0.00 C ATOM 0 HA PRO A 55 9.277 3.236 -0.639 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.840 0.837 -1.335 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.139 1.122 -1.647 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.057 1.014 -3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.527 1.851 -3.790 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.253 2.993 -3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.921 3.680 -4.182 1.00 0.00 H new ATOM 849 N THR A 56 12.426 3.248 -0.063 1.00 0.00 N ATOM 850 CA THR A 56 13.410 3.242 1.013 1.00 0.00 C ATOM 851 C THR A 56 12.805 3.911 2.258 1.00 0.00 C ATOM 852 O THR A 56 12.970 3.414 3.372 1.00 0.00 O ATOM 853 CB THR A 56 14.675 3.987 0.581 1.00 0.00 C ATOM 854 OG1 THR A 56 14.371 4.958 -0.403 1.00 0.00 O ATOM 855 CG2 THR A 56 15.743 3.077 0.013 1.00 0.00 C ATOM 0 H THR A 56 12.775 3.597 -0.956 1.00 0.00 H new ATOM 0 HA THR A 56 13.679 2.212 1.247 1.00 0.00 H new ATOM 0 HB THR A 56 15.062 4.450 1.489 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.191 5.425 -0.666 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.612 3.670 -0.273 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.035 2.345 0.766 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.352 2.560 -0.863 1.00 0.00 H new ATOM 863 N THR A 57 12.082 5.041 2.066 1.00 0.00 N ATOM 864 CA THR A 57 11.456 5.731 3.183 1.00 0.00 C ATOM 865 C THR A 57 10.492 4.801 3.914 1.00 0.00 C ATOM 866 O THR A 57 10.234 4.973 5.106 1.00 0.00 O ATOM 867 CB THR A 57 10.704 6.965 2.682 1.00 0.00 C ATOM 868 OG1 THR A 57 10.055 7.628 3.753 1.00 0.00 O ATOM 869 CG2 THR A 57 9.655 6.641 1.636 1.00 0.00 C ATOM 0 H THR A 57 11.928 5.476 1.156 1.00 0.00 H new ATOM 0 HA THR A 57 12.236 6.043 3.877 1.00 0.00 H new ATOM 0 HB THR A 57 11.463 7.602 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.581 8.415 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.158 7.559 1.322 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.132 6.174 0.774 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.919 5.956 2.058 1.00 0.00 H new ATOM 877 N GLY A 58 9.955 3.817 3.193 1.00 0.00 N ATOM 878 CA GLY A 58 9.024 2.884 3.799 1.00 0.00 C ATOM 879 C GLY A 58 7.594 3.027 3.242 1.00 0.00 C ATOM 880 O GLY A 58 6.839 3.845 3.767 1.00 0.00 O ATOM 0 H GLY A 58 10.148 3.652 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.375 1.866 3.631 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.007 3.042 4.877 1.00 0.00 H new ATOM 884 N HIS A 59 7.181 2.264 2.197 1.00 0.00 N ATOM 885 CA HIS A 59 5.823 2.416 1.686 1.00 0.00 C ATOM 886 C HIS A 59 4.842 1.656 2.574 1.00 0.00 C ATOM 887 O HIS A 59 5.119 0.556 3.050 1.00 0.00 O ATOM 888 CB HIS A 59 5.704 1.927 0.230 1.00 0.00 C ATOM 889 CG HIS A 59 5.617 3.036 -0.783 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.419 4.154 -0.727 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.833 3.196 -1.893 1.00 0.00 C ATOM 892 CE1 HIS A 59 6.141 4.947 -1.743 1.00 0.00 C ATOM 893 NE2 HIS A 59 5.187 4.392 -2.464 1.00 0.00 N ATOM 0 H HIS A 59 7.753 1.569 1.718 1.00 0.00 H new ATOM 0 HA HIS A 59 5.580 3.478 1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.566 1.302 -0.004 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.819 1.297 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.079 2.511 -2.251 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.616 5.894 -1.950 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.778 4.788 -3.310 1.00 0.00 H new ATOM 902 N ARG A 60 3.704 2.285 2.792 1.00 0.00 N ATOM 903 CA ARG A 60 2.629 1.758 3.622 1.00 0.00 C ATOM 904 C ARG A 60 1.434 1.440 2.706 1.00 0.00 C ATOM 905 O ARG A 60 1.463 1.819 1.538 1.00 0.00 O ATOM 906 CB ARG A 60 2.270 2.819 4.673 1.00 0.00 C ATOM 907 CG ARG A 60 1.664 4.085 4.093 1.00 0.00 C ATOM 908 CD ARG A 60 1.811 5.269 5.044 1.00 0.00 C ATOM 909 NE ARG A 60 1.782 4.871 6.456 1.00 0.00 N ATOM 910 CZ ARG A 60 1.746 5.734 7.470 1.00 0.00 C ATOM 911 NH1 ARG A 60 1.707 7.040 7.238 1.00 0.00 N ATOM 912 NH2 ARG A 60 1.744 5.287 8.718 1.00 0.00 N ATOM 0 H ARG A 60 3.492 3.198 2.389 1.00 0.00 H new ATOM 0 HA ARG A 60 2.923 0.845 4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.568 2.386 5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.169 3.082 5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.148 4.318 3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.608 3.918 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.749 5.783 4.835 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.009 5.982 4.856 1.00 0.00 H new ATOM 0 HE ARG A 60 1.790 3.875 6.674 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.704 7.388 6.279 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.680 7.696 8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.770 4.284 8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.716 5.946 9.496 1.00 0.00 H new ATOM 926 N LEU A 61 0.396 0.750 3.194 1.00 0.00 N ATOM 927 CA LEU A 61 -0.753 0.416 2.339 1.00 0.00 C ATOM 928 C LEU A 61 -1.989 1.164 2.864 1.00 0.00 C ATOM 929 O LEU A 61 -2.003 1.540 4.037 1.00 0.00 O ATOM 930 CB LEU A 61 -1.109 -1.085 2.417 1.00 0.00 C ATOM 931 CG LEU A 61 -0.237 -2.088 1.661 1.00 0.00 C ATOM 932 CD1 LEU A 61 -1.061 -3.269 1.163 1.00 0.00 C ATOM 933 CD2 LEU A 61 0.502 -1.450 0.516 1.00 0.00 C ATOM 0 H LEU A 61 0.326 0.417 4.156 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.487 0.687 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.105 -1.371 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.132 -1.201 2.059 1.00 0.00 H new ATOM 0 HG LEU A 61 0.505 -2.453 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.414 -3.965 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.519 -3.777 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.841 -2.911 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.108 -2.202 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.214 -1.026 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.149 -0.659 0.896 1.00 0.00 H new ATOM 945 N CYS A 62 -3.030 1.406 2.034 1.00 0.00 N ATOM 946 CA CYS A 62 -4.186 2.120 2.526 1.00 0.00 C ATOM 947 C CYS A 62 -5.404 1.160 2.740 1.00 0.00 C ATOM 948 O CYS A 62 -5.285 -0.051 2.555 1.00 0.00 O ATOM 949 CB CYS A 62 -4.337 3.439 1.708 1.00 0.00 C ATOM 950 SG CYS A 62 -5.456 3.498 0.314 1.00 0.00 S ATOM 0 H CYS A 62 -3.077 1.120 1.056 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.081 2.487 3.547 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.643 4.220 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.347 3.709 1.342 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.367 4.659 -0.265 1.00 0.00 H new ATOM 955 N SER A 63 -6.485 1.697 3.295 1.00 0.00 N ATOM 956 CA SER A 63 -7.679 0.965 3.766 1.00 0.00 C ATOM 957 C SER A 63 -8.209 -0.274 3.026 1.00 0.00 C ATOM 958 O SER A 63 -8.029 -1.407 3.470 1.00 0.00 O ATOM 959 CB SER A 63 -8.833 1.978 3.953 1.00 0.00 C ATOM 960 OG SER A 63 -9.168 2.123 5.324 1.00 0.00 O ATOM 0 H SER A 63 -6.567 2.703 3.441 1.00 0.00 H new ATOM 0 HA SER A 63 -7.300 0.503 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.542 2.945 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.708 1.644 3.395 1.00 0.00 H new ATOM 0 HG SER A 63 -9.774 2.886 5.434 1.00 0.00 H new ATOM 966 N VAL A 64 -9.027 -0.009 2.045 1.00 0.00 N ATOM 967 CA VAL A 64 -9.827 -1.049 1.354 1.00 0.00 C ATOM 968 C VAL A 64 -9.123 -2.052 0.439 1.00 0.00 C ATOM 969 O VAL A 64 -9.710 -2.462 -0.565 1.00 0.00 O ATOM 970 CB VAL A 64 -10.921 -0.375 0.532 1.00 0.00 C ATOM 971 CG1 VAL A 64 -11.892 0.376 1.435 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.279 0.550 -0.471 1.00 0.00 C ATOM 0 H VAL A 64 -9.176 0.932 1.681 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.179 -1.655 2.189 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.497 -1.132 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.663 0.849 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.356 -0.323 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.352 1.140 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.053 1.037 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.694 1.306 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.625 -0.023 -1.128 1.00 0.00 H new ATOM 982 N HIS A 65 -7.910 -2.471 0.739 1.00 0.00 N ATOM 983 CA HIS A 65 -7.253 -3.448 -0.154 1.00 0.00 C ATOM 984 C HIS A 65 -7.340 -4.882 0.361 1.00 0.00 C ATOM 985 O HIS A 65 -6.652 -5.760 -0.153 1.00 0.00 O ATOM 986 CB HIS A 65 -5.796 -3.099 -0.388 1.00 0.00 C ATOM 987 CG HIS A 65 -5.556 -1.655 -0.346 1.00 0.00 C ATOM 988 ND1 HIS A 65 -6.584 -0.744 -0.247 1.00 0.00 N ATOM 989 CD2 HIS A 65 -4.424 -0.970 -0.190 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.089 0.423 0.004 1.00 0.00 C ATOM 991 NE2 HIS A 65 -4.789 0.304 0.048 1.00 0.00 N ATOM 0 H HIS A 65 -7.367 -2.177 1.551 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.801 -3.390 -1.094 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.182 -3.589 0.367 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.482 -3.489 -1.356 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -7.576 -0.956 -0.354 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.418 -1.358 -0.244 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.650 1.334 0.151 1.00 0.00 H new ATOM 999 N PHE A 66 -8.177 -5.139 1.361 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.300 -6.484 1.893 1.00 0.00 C ATOM 1001 C PHE A 66 -9.762 -6.955 1.790 1.00 0.00 C ATOM 1002 O PHE A 66 -10.646 -6.129 1.562 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.819 -6.498 3.352 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.447 -5.899 3.542 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -6.264 -4.531 3.760 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.333 -6.719 3.505 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -4.986 -4.016 3.932 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -4.065 -6.204 3.678 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.888 -4.859 3.890 1.00 0.00 C ATOM 0 H PHE A 66 -8.771 -4.442 1.811 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.681 -7.170 1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.534 -5.950 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.810 -7.526 3.713 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.119 -3.872 3.795 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.458 -7.779 3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.848 -2.958 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.208 -6.861 3.647 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.894 -4.459 4.024 1.00 0.00 H new ATOM 1019 N GLN A 67 -10.045 -8.262 1.963 1.00 0.00 N ATOM 1020 CA GLN A 67 -11.415 -8.730 1.887 1.00 0.00 C ATOM 1021 C GLN A 67 -12.069 -8.612 3.301 1.00 0.00 C ATOM 1022 O GLN A 67 -11.722 -9.419 4.162 1.00 0.00 O ATOM 1023 CB GLN A 67 -11.419 -10.203 1.463 1.00 0.00 C ATOM 1024 CG GLN A 67 -12.754 -10.670 0.906 1.00 0.00 C ATOM 1025 CD GLN A 67 -12.785 -10.681 -0.611 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -13.340 -11.594 -1.224 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -12.190 -9.666 -1.225 1.00 0.00 N ATOM 0 H GLN A 67 -9.351 -8.986 2.151 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.971 -8.133 1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.646 -10.358 0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.156 -10.821 2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -12.967 -11.673 1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.545 -10.019 1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.742 -8.931 -0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -12.181 -9.621 -2.244 1.00 0.00 H new ATOM 1036 N GLY A 68 -12.988 -7.646 3.597 1.00 0.00 N ATOM 1037 CA GLY A 68 -13.542 -7.590 4.943 1.00 0.00 C ATOM 1038 C GLY A 68 -12.563 -7.005 5.964 1.00 0.00 C ATOM 1039 O GLY A 68 -12.761 -5.878 6.421 1.00 0.00 O ATOM 0 H GLY A 68 -13.333 -6.940 2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.451 -6.988 4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.828 -8.594 5.255 1.00 0.00 H new ATOM 1043 N GLY A 69 -11.502 -7.747 6.336 1.00 0.00 N ATOM 1044 CA GLY A 69 -10.547 -7.225 7.300 1.00 0.00 C ATOM 1045 C GLY A 69 -9.657 -8.307 7.885 1.00 0.00 C ATOM 1046 O GLY A 69 -9.940 -9.495 7.735 1.00 0.00 O ATOM 0 H GLY A 69 -11.298 -8.684 5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.926 -6.470 6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.086 -6.727 8.106 1.00 0.00 H new ATOM 1050 N ARG A 70 -8.576 -7.893 8.549 1.00 0.00 N ATOM 1051 CA ARG A 70 -7.631 -8.828 9.161 1.00 0.00 C ATOM 1052 C ARG A 70 -7.241 -9.931 8.183 1.00 0.00 C ATOM 1053 O ARG A 70 -7.254 -11.114 8.526 1.00 0.00 O ATOM 1054 CB ARG A 70 -8.221 -9.432 10.442 1.00 0.00 C ATOM 1055 CG ARG A 70 -9.370 -10.402 10.206 1.00 0.00 C ATOM 1056 CD ARG A 70 -9.414 -11.481 11.276 1.00 0.00 C ATOM 1057 NE ARG A 70 -10.560 -12.369 11.110 1.00 0.00 N ATOM 1058 CZ ARG A 70 -10.625 -13.600 11.613 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -9.612 -14.093 12.316 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -11.706 -14.340 11.412 1.00 0.00 N ATOM 0 H ARG A 70 -8.333 -6.911 8.677 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.731 -8.272 9.422 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.429 -9.950 10.984 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.570 -8.623 11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.313 -9.856 10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.262 -10.865 9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.494 -12.065 11.240 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.457 -11.014 12.260 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.359 -12.026 10.577 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.778 -13.528 12.473 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.668 -15.037 12.699 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.487 -13.966 10.873 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.757 -15.283 11.797 1.00 0.00 H new ATOM 1074 N LYS A 71 -6.898 -9.533 6.961 1.00 0.00 N ATOM 1075 CA LYS A 71 -6.505 -10.478 5.920 1.00 0.00 C ATOM 1076 C LYS A 71 -5.605 -11.580 6.487 1.00 0.00 C ATOM 1077 O LYS A 71 -4.428 -11.358 6.764 1.00 0.00 O ATOM 1078 CB LYS A 71 -5.830 -9.712 4.762 1.00 0.00 C ATOM 1079 CG LYS A 71 -4.436 -10.199 4.361 1.00 0.00 C ATOM 1080 CD LYS A 71 -3.312 -9.341 4.956 1.00 0.00 C ATOM 1081 CE LYS A 71 -3.612 -8.835 6.368 1.00 0.00 C ATOM 1082 NZ LYS A 71 -3.365 -7.372 6.500 1.00 0.00 N ATOM 0 H LYS A 71 -6.884 -8.557 6.666 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.392 -10.976 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.479 -9.769 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.760 -8.660 5.040 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.309 -11.232 4.686 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.353 -10.195 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.392 -9.925 4.976 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.133 -8.487 4.303 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.651 -9.051 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.993 -9.374 7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.854 -7.012 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.343 -7.199 6.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.725 -6.882 5.657 1.00 0.00 H new ATOM 1096 N THR A 72 -6.187 -12.766 6.657 1.00 0.00 N ATOM 1097 CA THR A 72 -5.470 -13.924 7.193 1.00 0.00 C ATOM 1098 C THR A 72 -6.299 -15.200 7.044 1.00 0.00 C ATOM 1099 O THR A 72 -6.920 -15.658 8.003 1.00 0.00 O ATOM 1100 CB THR A 72 -5.134 -13.717 8.674 1.00 0.00 C ATOM 1101 OG1 THR A 72 -6.287 -13.337 9.402 1.00 0.00 O ATOM 1102 CG2 THR A 72 -4.073 -12.666 8.915 1.00 0.00 C ATOM 0 H THR A 72 -7.164 -12.952 6.429 1.00 0.00 H new ATOM 0 HA THR A 72 -4.547 -14.028 6.622 1.00 0.00 H new ATOM 0 HB THR A 72 -4.748 -14.678 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.623 -12.482 9.060 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.888 -12.575 9.985 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.151 -12.957 8.411 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.414 -11.708 8.523 1.00 0.00 H new ATOM 1110 N TYR A 73 -6.303 -15.773 5.844 1.00 0.00 N ATOM 1111 CA TYR A 73 -7.057 -16.999 5.584 1.00 0.00 C ATOM 1112 C TYR A 73 -6.867 -17.459 4.144 1.00 0.00 C ATOM 1113 O TYR A 73 -6.738 -18.652 3.871 1.00 0.00 O ATOM 1114 CB TYR A 73 -8.548 -16.794 5.881 1.00 0.00 C ATOM 1115 CG TYR A 73 -9.246 -15.813 4.959 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -8.744 -14.532 4.758 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -10.411 -16.170 4.292 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -9.383 -13.637 3.921 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -11.055 -15.281 3.453 1.00 0.00 C ATOM 1120 CZ TYR A 73 -10.537 -14.017 3.269 1.00 0.00 C ATOM 1121 OH TYR A 73 -11.177 -13.128 2.434 1.00 0.00 O ATOM 0 H TYR A 73 -5.795 -15.411 5.037 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.673 -17.774 6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.054 -17.757 5.815 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.656 -16.447 6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.839 -14.231 5.265 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -10.820 -17.160 4.432 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.981 -12.645 3.778 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.961 -15.575 2.943 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.974 -13.553 2.053 1.00 0.00 H new ATOM 1131 N THR A 74 -6.852 -16.502 3.228 1.00 0.00 N ATOM 1132 CA THR A 74 -6.679 -16.793 1.808 1.00 0.00 C ATOM 1133 C THR A 74 -5.917 -15.683 1.104 1.00 0.00 C ATOM 1134 O THR A 74 -5.677 -15.760 -0.101 1.00 0.00 O ATOM 1135 CB THR A 74 -8.039 -16.943 1.127 1.00 0.00 C ATOM 1136 OG1 THR A 74 -9.091 -16.803 2.064 1.00 0.00 O ATOM 1137 CG2 THR A 74 -8.219 -18.272 0.433 1.00 0.00 C ATOM 0 H THR A 74 -6.958 -15.510 3.442 1.00 0.00 H new ATOM 0 HA THR A 74 -6.113 -17.722 1.737 1.00 0.00 H new ATOM 0 HB THR A 74 -8.071 -16.152 0.377 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.137 -15.872 2.367 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.206 -18.311 -0.029 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.454 -18.388 -0.335 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.127 -19.078 1.161 1.00 0.00 H new ATOM 1145 N VAL A 75 -5.575 -14.630 1.834 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.893 -13.506 1.233 1.00 0.00 C ATOM 1147 C VAL A 75 -3.536 -13.224 1.871 1.00 0.00 C ATOM 1148 O VAL A 75 -3.456 -12.846 3.040 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.749 -12.223 1.307 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.537 -11.403 0.052 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -7.233 -12.530 1.466 1.00 0.00 C ATOM 0 H VAL A 75 -5.759 -14.536 2.833 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.732 -13.787 0.192 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.431 -11.664 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.141 -10.497 0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.484 -11.133 -0.033 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.833 -11.988 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.795 -11.597 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.576 -13.117 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.391 -13.096 2.384 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.475 -13.365 1.080 1.00 0.00 N ATOM 1162 CA ARG A 76 -1.126 -13.079 1.555 1.00 0.00 C ATOM 1163 C ARG A 76 -0.776 -11.641 1.198 1.00 0.00 C ATOM 1164 O ARG A 76 -0.387 -10.851 2.058 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.105 -14.049 0.951 1.00 0.00 C ATOM 1166 CG ARG A 76 0.639 -14.864 1.995 1.00 0.00 C ATOM 1167 CD ARG A 76 1.568 -15.883 1.354 1.00 0.00 C ATOM 1168 NE ARG A 76 0.827 -16.973 0.724 1.00 0.00 N ATOM 1169 CZ ARG A 76 0.140 -17.893 1.402 1.00 0.00 C ATOM 1170 NH1 ARG A 76 0.107 -17.862 2.727 1.00 0.00 N ATOM 1171 NH2 ARG A 76 -0.512 -18.844 0.750 1.00 0.00 N ATOM 0 H ARG A 76 -2.524 -13.675 0.109 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.093 -13.210 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.618 -14.727 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.616 -13.485 0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.216 -14.196 2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.078 -15.377 2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.191 -15.388 0.608 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.239 -16.290 2.111 1.00 0.00 H new ATOM 0 HE ARG A 76 0.836 -17.034 -0.294 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.609 -17.132 3.233 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.420 -18.568 3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.488 -18.872 -0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.038 -19.548 1.267 1.00 0.00 H new ATOM 1185 N VAL A 77 -0.967 -11.299 -0.073 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.722 -9.947 -0.547 1.00 0.00 C ATOM 1187 C VAL A 77 -2.031 -9.381 -1.106 1.00 0.00 C ATOM 1188 O VAL A 77 -2.662 -10.005 -1.959 1.00 0.00 O ATOM 1189 CB VAL A 77 0.384 -9.941 -1.637 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.550 -10.818 -1.210 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.158 -10.413 -2.973 1.00 0.00 C ATOM 0 H VAL A 77 -1.292 -11.945 -0.793 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.375 -9.326 0.279 1.00 0.00 H new ATOM 0 HB VAL A 77 0.732 -8.915 -1.755 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.318 -10.804 -1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.968 -10.439 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.202 -11.840 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.640 -10.398 -3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.540 -11.429 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.964 -9.752 -3.293 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.485 -8.213 -0.613 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.754 -7.605 -1.052 1.00 0.00 C ATOM 1203 C PRO A 78 -3.828 -7.177 -2.492 1.00 0.00 C ATOM 1204 O PRO A 78 -3.856 -5.969 -2.743 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.841 -6.338 -0.194 1.00 0.00 C ATOM 1206 CG PRO A 78 -3.039 -6.660 1.001 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.862 -7.397 0.458 1.00 0.00 C ATOM 0 HA PRO A 78 -4.550 -8.342 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.442 -5.471 -0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.873 -6.104 0.069 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.735 -5.758 1.532 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.602 -7.271 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.101 -6.722 0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.381 -8.015 1.216 1.00 0.00 H new ATOM 1215 N THR A 79 -3.973 -8.079 -3.473 1.00 0.00 N ATOM 1216 CA THR A 79 -4.156 -7.498 -4.768 1.00 0.00 C ATOM 1217 C THR A 79 -5.640 -7.575 -5.102 1.00 0.00 C ATOM 1218 O THR A 79 -6.178 -8.603 -5.514 1.00 0.00 O ATOM 1219 CB THR A 79 -3.315 -8.250 -5.831 1.00 0.00 C ATOM 1220 OG1 THR A 79 -4.133 -9.067 -6.652 1.00 0.00 O ATOM 1221 CG2 THR A 79 -2.241 -9.141 -5.243 1.00 0.00 C ATOM 0 H THR A 79 -3.967 -9.096 -3.398 1.00 0.00 H new ATOM 0 HA THR A 79 -3.821 -6.461 -4.768 1.00 0.00 H new ATOM 0 HB THR A 79 -2.837 -7.458 -6.408 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.850 -9.460 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.695 -9.633 -6.048 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.551 -8.538 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.702 -9.894 -4.604 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.233 -6.405 -5.000 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.607 -6.114 -5.348 1.00 0.00 C ATOM 1231 C ILE A 80 -7.505 -4.919 -6.295 1.00 0.00 C ATOM 1232 O ILE A 80 -6.608 -4.119 -6.080 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.449 -5.824 -4.061 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -8.499 -7.076 -3.171 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -9.874 -5.373 -4.365 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -9.156 -8.268 -3.831 1.00 0.00 C ATOM 0 H ILE A 80 -5.740 -5.583 -4.651 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.125 -6.944 -5.828 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.950 -5.004 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.483 -7.346 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.038 -6.837 -2.254 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.404 -5.188 -3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.848 -4.457 -4.955 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.390 -6.151 -4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.154 -9.113 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.184 -8.017 -4.095 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.605 -8.534 -4.733 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.319 -4.770 -7.335 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.171 -3.600 -8.223 1.00 0.00 C ATOM 1250 C PHE A 81 -6.807 -3.615 -8.906 1.00 0.00 C ATOM 1251 O PHE A 81 -6.056 -4.592 -8.702 1.00 0.00 O ATOM 1252 CB PHE A 81 -8.350 -2.249 -7.455 1.00 0.00 C ATOM 1253 CG PHE A 81 -7.654 -2.183 -6.109 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -6.305 -1.837 -6.005 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -8.335 -2.536 -4.952 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -5.661 -1.847 -4.772 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -7.694 -2.562 -3.727 1.00 0.00 C ATOM 1258 CZ PHE A 81 -6.358 -2.220 -3.632 1.00 0.00 C ATOM 1259 OXT PHE A 81 -6.503 -2.653 -9.640 1.00 0.00 O ATOM 0 H PHE A 81 -9.067 -5.416 -7.587 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.960 -3.671 -8.972 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.976 -1.439 -8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.415 -2.071 -7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.755 -1.558 -6.892 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.382 -2.794 -5.010 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.621 -1.565 -4.702 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.239 -2.851 -2.841 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.859 -2.243 -2.674 1.00 0.00 H new