USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 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 NoAdj-H: A 43 HIS HD1 : A 43 HIS ND1 : A 200 ZNZN :(H bumps) USER MOD Set 1.1: A 67 GLN : amide:sc= 0.125 K(o=0.47,f=-2.4!) USER MOD Set 1.2: A 69 TYR OH : rot 171:sc= 0.345 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 75:sc= 0.611 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -150:sc= -0.147 (180deg=-1.44) USER MOD Single : A 12 ASN : amide:sc=-0.00425 X(o=-0.0042,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00162) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.12 K(o=0.12,f=-1.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -130:sc= -0.484 (180deg=-2.33!) USER MOD Single : A 32 SER OG : rot 22:sc= 1.02 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0791 X(o=-0.079,f=0) USER MOD Single : A 41 SER OG : rot 40:sc= -0.261 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -0.584 K(o=-0.58,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0213) USER MOD Single : A 53 SER OG : rot 180:sc= -0.0618 USER MOD Single : A 55 ASN : amide:sc= 0.0734 K(o=0.073,f=-0.91) USER MOD Single : A 58 ASN : amide:sc= -0.0778 X(o=-0.078,f=-0.078) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.023) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.791 -13.865 -11.351 1.00 0.00 N ATOM 2 CA GLY A 1 -19.731 -13.034 -11.891 1.00 0.00 C ATOM 3 C GLY A 1 -20.262 -11.808 -12.607 1.00 0.00 C ATOM 4 O GLY A 1 -20.913 -10.959 -11.999 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.376 -14.689 -10.872 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.351 -13.314 -10.669 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.407 -14.188 -12.124 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.071 -12.721 -11.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.129 -13.623 -12.583 1.00 0.00 H new ATOM 8 N SER A 2 -19.984 -11.715 -13.903 1.00 0.00 N ATOM 9 CA SER A 2 -20.433 -10.581 -14.702 1.00 0.00 C ATOM 10 C SER A 2 -21.663 -10.951 -15.526 1.00 0.00 C ATOM 11 O SER A 2 -22.676 -10.253 -15.498 1.00 0.00 O ATOM 12 CB SER A 2 -19.311 -10.104 -15.626 1.00 0.00 C ATOM 13 OG SER A 2 -19.726 -8.991 -16.400 1.00 0.00 O ATOM 0 H SER A 2 -19.450 -12.412 -14.422 1.00 0.00 H new ATOM 0 HA SER A 2 -20.702 -9.773 -14.022 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.438 -9.833 -15.033 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.008 -10.917 -16.286 1.00 0.00 H new ATOM 0 HG SER A 2 -18.991 -8.704 -16.981 1.00 0.00 H new ATOM 19 N SER A 3 -21.565 -12.055 -16.261 1.00 0.00 N ATOM 20 CA SER A 3 -22.667 -12.517 -17.097 1.00 0.00 C ATOM 21 C SER A 3 -23.590 -13.446 -16.314 1.00 0.00 C ATOM 22 O SER A 3 -24.808 -13.272 -16.312 1.00 0.00 O ATOM 23 CB SER A 3 -22.129 -13.238 -18.334 1.00 0.00 C ATOM 24 OG SER A 3 -23.092 -13.255 -19.374 1.00 0.00 O ATOM 0 H SER A 3 -20.734 -12.646 -16.294 1.00 0.00 H new ATOM 0 HA SER A 3 -23.240 -11.646 -17.414 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.222 -12.743 -18.682 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.854 -14.260 -18.072 1.00 0.00 H new ATOM 0 HG SER A 3 -22.723 -13.720 -20.154 1.00 0.00 H new ATOM 30 N GLY A 4 -22.999 -14.435 -15.650 1.00 0.00 N ATOM 31 CA GLY A 4 -23.782 -15.378 -14.872 1.00 0.00 C ATOM 32 C GLY A 4 -24.709 -14.691 -13.890 1.00 0.00 C ATOM 33 O GLY A 4 -25.892 -15.022 -13.807 1.00 0.00 O ATOM 0 H GLY A 4 -21.993 -14.600 -15.637 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.369 -16.001 -15.546 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -23.110 -16.042 -14.329 1.00 0.00 H new ATOM 37 N SER A 5 -24.172 -13.732 -13.143 1.00 0.00 N ATOM 38 CA SER A 5 -24.958 -13.000 -12.157 1.00 0.00 C ATOM 39 C SER A 5 -25.668 -13.960 -11.207 1.00 0.00 C ATOM 40 O SER A 5 -26.849 -13.790 -10.903 1.00 0.00 O ATOM 41 CB SER A 5 -25.984 -12.104 -12.855 1.00 0.00 C ATOM 42 OG SER A 5 -25.459 -11.570 -14.057 1.00 0.00 O ATOM 0 H SER A 5 -23.195 -13.444 -13.202 1.00 0.00 H new ATOM 0 HA SER A 5 -24.278 -12.378 -11.576 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.885 -12.678 -13.071 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.275 -11.292 -12.189 1.00 0.00 H new ATOM 0 HG SER A 5 -25.437 -12.269 -14.743 1.00 0.00 H new ATOM 48 N SER A 6 -24.938 -14.968 -10.740 1.00 0.00 N ATOM 49 CA SER A 6 -25.497 -15.958 -9.827 1.00 0.00 C ATOM 50 C SER A 6 -25.339 -15.511 -8.377 1.00 0.00 C ATOM 51 O SER A 6 -24.793 -14.443 -8.101 1.00 0.00 O ATOM 52 CB SER A 6 -24.818 -17.313 -10.032 1.00 0.00 C ATOM 53 OG SER A 6 -24.570 -17.557 -11.406 1.00 0.00 O ATOM 0 H SER A 6 -23.958 -15.120 -10.979 1.00 0.00 H new ATOM 0 HA SER A 6 -26.561 -16.056 -10.044 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.879 -17.340 -9.479 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.449 -18.104 -9.627 1.00 0.00 H new ATOM 0 HG SER A 6 -24.134 -18.428 -11.510 1.00 0.00 H new ATOM 59 N GLY A 7 -25.821 -16.337 -7.454 1.00 0.00 N ATOM 60 CA GLY A 7 -25.723 -16.011 -6.043 1.00 0.00 C ATOM 61 C GLY A 7 -26.271 -14.633 -5.728 1.00 0.00 C ATOM 62 O GLY A 7 -27.042 -14.071 -6.506 1.00 0.00 O ATOM 0 H GLY A 7 -26.278 -17.226 -7.658 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -26.266 -16.756 -5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.679 -16.064 -5.733 1.00 0.00 H new ATOM 66 N ASP A 8 -25.874 -14.088 -4.583 1.00 0.00 N ATOM 67 CA ASP A 8 -26.331 -12.767 -4.166 1.00 0.00 C ATOM 68 C ASP A 8 -25.168 -11.781 -4.115 1.00 0.00 C ATOM 69 O ASP A 8 -24.817 -11.276 -3.048 1.00 0.00 O ATOM 70 CB ASP A 8 -27.009 -12.847 -2.798 1.00 0.00 C ATOM 71 CG ASP A 8 -27.834 -14.109 -2.633 1.00 0.00 C ATOM 72 OD1 ASP A 8 -29.007 -14.110 -3.059 1.00 0.00 O ATOM 73 OD2 ASP A 8 -27.306 -15.094 -2.076 1.00 0.00 O ATOM 0 H ASP A 8 -25.237 -14.540 -3.927 1.00 0.00 H new ATOM 0 HA ASP A 8 -27.054 -12.411 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -26.250 -12.808 -2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -27.651 -11.977 -2.662 1.00 0.00 H new ATOM 78 N CYS A 9 -24.575 -11.513 -5.273 1.00 0.00 N ATOM 79 CA CYS A 9 -23.450 -10.589 -5.359 1.00 0.00 C ATOM 80 C CYS A 9 -23.883 -9.261 -5.972 1.00 0.00 C ATOM 81 O CYS A 9 -23.963 -9.126 -7.193 1.00 0.00 O ATOM 82 CB CYS A 9 -22.321 -11.203 -6.189 1.00 0.00 C ATOM 83 SG CYS A 9 -20.777 -10.264 -6.144 1.00 0.00 S ATOM 0 H CYS A 9 -24.854 -11.922 -6.165 1.00 0.00 H new ATOM 0 HA CYS A 9 -23.088 -10.401 -4.348 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -22.129 -12.214 -5.830 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -22.651 -11.289 -7.224 1.00 0.00 H new ATOM 0 HG CYS A 9 -19.883 -10.863 -6.874 1.00 0.00 H new ATOM 89 N TYR A 10 -24.163 -8.284 -5.116 1.00 0.00 N ATOM 90 CA TYR A 10 -24.592 -6.968 -5.573 1.00 0.00 C ATOM 91 C TYR A 10 -23.848 -5.864 -4.829 1.00 0.00 C ATOM 92 O TYR A 10 -23.936 -5.754 -3.606 1.00 0.00 O ATOM 93 CB TYR A 10 -26.100 -6.804 -5.377 1.00 0.00 C ATOM 94 CG TYR A 10 -26.726 -5.790 -6.309 1.00 0.00 C ATOM 95 CD1 TYR A 10 -26.369 -4.449 -6.248 1.00 0.00 C ATOM 96 CD2 TYR A 10 -27.672 -6.175 -7.251 1.00 0.00 C ATOM 97 CE1 TYR A 10 -26.939 -3.520 -7.097 1.00 0.00 C ATOM 98 CE2 TYR A 10 -28.246 -5.253 -8.105 1.00 0.00 C ATOM 99 CZ TYR A 10 -27.876 -3.926 -8.024 1.00 0.00 C ATOM 100 OH TYR A 10 -28.444 -3.004 -8.872 1.00 0.00 O ATOM 0 H TYR A 10 -24.100 -8.379 -4.102 1.00 0.00 H new ATOM 0 HA TYR A 10 -24.359 -6.886 -6.635 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -26.584 -7.769 -5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -26.294 -6.506 -4.347 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -25.634 -4.127 -5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -27.964 -7.213 -7.317 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -26.652 -2.481 -7.035 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -28.980 -5.569 -8.832 1.00 0.00 H new ATOM 0 HH TYR A 10 -29.083 -3.454 -9.464 1.00 0.00 H new ATOM 110 N LYS A 11 -23.115 -5.046 -5.577 1.00 0.00 N ATOM 111 CA LYS A 11 -22.355 -3.948 -4.991 1.00 0.00 C ATOM 112 C LYS A 11 -22.579 -2.655 -5.770 1.00 0.00 C ATOM 113 O LYS A 11 -23.122 -2.671 -6.874 1.00 0.00 O ATOM 114 CB LYS A 11 -20.863 -4.288 -4.966 1.00 0.00 C ATOM 115 CG LYS A 11 -20.283 -4.580 -6.339 1.00 0.00 C ATOM 116 CD LYS A 11 -18.814 -4.200 -6.416 1.00 0.00 C ATOM 117 CE LYS A 11 -17.923 -5.305 -5.868 1.00 0.00 C ATOM 118 NZ LYS A 11 -17.994 -5.389 -4.383 1.00 0.00 N ATOM 0 H LYS A 11 -23.031 -5.123 -6.591 1.00 0.00 H new ATOM 0 HA LYS A 11 -22.705 -3.802 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -20.317 -3.457 -4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.707 -5.154 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -20.398 -5.640 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -20.842 -4.030 -7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.544 -3.994 -7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.645 -3.282 -5.853 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.221 -6.260 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.892 -5.125 -6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.087 -5.736 -4.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.191 -4.446 -3.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.754 -6.044 -4.108 1.00 0.00 H new ATOM 132 N ASN A 12 -22.156 -1.538 -5.188 1.00 0.00 N ATOM 133 CA ASN A 12 -22.310 -0.237 -5.829 1.00 0.00 C ATOM 134 C ASN A 12 -20.956 0.442 -6.013 1.00 0.00 C ATOM 135 O ASN A 12 -20.725 1.131 -7.008 1.00 0.00 O ATOM 136 CB ASN A 12 -23.233 0.658 -4.998 1.00 0.00 C ATOM 137 CG ASN A 12 -23.754 1.843 -5.788 1.00 0.00 C ATOM 138 OD1 ASN A 12 -24.823 1.777 -6.395 1.00 0.00 O ATOM 139 ND2 ASN A 12 -22.998 2.935 -5.784 1.00 0.00 N ATOM 0 H ASN A 12 -21.704 -1.507 -4.274 1.00 0.00 H new ATOM 0 HA ASN A 12 -22.755 -0.394 -6.812 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -24.075 0.069 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -22.693 1.018 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -23.296 3.764 -6.298 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -22.119 2.945 -5.267 1.00 0.00 H new ATOM 146 N PHE A 13 -20.064 0.243 -5.049 1.00 0.00 N ATOM 147 CA PHE A 13 -18.733 0.836 -5.104 1.00 0.00 C ATOM 148 C PHE A 13 -17.829 0.245 -4.027 1.00 0.00 C ATOM 149 O PHE A 13 -18.162 0.264 -2.842 1.00 0.00 O ATOM 150 CB PHE A 13 -18.820 2.354 -4.936 1.00 0.00 C ATOM 151 CG PHE A 13 -17.567 3.075 -5.342 1.00 0.00 C ATOM 152 CD1 PHE A 13 -16.488 3.156 -4.476 1.00 0.00 C ATOM 153 CD2 PHE A 13 -17.467 3.672 -6.588 1.00 0.00 C ATOM 154 CE1 PHE A 13 -15.333 3.820 -4.846 1.00 0.00 C ATOM 155 CE2 PHE A 13 -16.315 4.337 -6.964 1.00 0.00 C ATOM 156 CZ PHE A 13 -15.246 4.410 -6.092 1.00 0.00 C ATOM 0 H PHE A 13 -20.239 -0.325 -4.220 1.00 0.00 H new ATOM 0 HA PHE A 13 -18.302 0.610 -6.079 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -19.654 2.730 -5.529 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -19.040 2.584 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -16.550 2.695 -3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -18.299 3.617 -7.274 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -14.500 3.877 -4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -16.251 4.799 -7.938 1.00 0.00 H new ATOM 0 HZ PHE A 13 -14.344 4.927 -6.384 1.00 0.00 H new ATOM 166 N VAL A 14 -16.682 -0.280 -4.447 1.00 0.00 N ATOM 167 CA VAL A 14 -15.729 -0.877 -3.519 1.00 0.00 C ATOM 168 C VAL A 14 -14.407 -0.118 -3.526 1.00 0.00 C ATOM 169 O VAL A 14 -13.913 0.279 -4.581 1.00 0.00 O ATOM 170 CB VAL A 14 -15.462 -2.354 -3.861 1.00 0.00 C ATOM 171 CG1 VAL A 14 -14.827 -2.478 -5.237 1.00 0.00 C ATOM 172 CG2 VAL A 14 -14.582 -2.996 -2.799 1.00 0.00 C ATOM 0 H VAL A 14 -16.390 -0.304 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 14 -16.174 -0.817 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 14 -16.415 -2.882 -3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -14.646 -3.529 -5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.498 -2.058 -5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.882 -1.936 -5.252 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -14.403 -4.040 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.630 -2.467 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.081 -2.941 -1.831 1.00 0.00 H new ATOM 182 N ALA A 15 -13.837 0.080 -2.341 1.00 0.00 N ATOM 183 CA ALA A 15 -12.571 0.789 -2.211 1.00 0.00 C ATOM 184 C ALA A 15 -11.390 -0.154 -2.417 1.00 0.00 C ATOM 185 O ALA A 15 -11.535 -1.374 -2.336 1.00 0.00 O ATOM 186 CB ALA A 15 -12.480 1.462 -0.850 1.00 0.00 C ATOM 0 H ALA A 15 -14.233 -0.241 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.531 1.555 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -11.529 1.988 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.299 2.173 -0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -12.547 0.708 -0.066 1.00 0.00 H new ATOM 192 N LYS A 16 -10.221 0.418 -2.685 1.00 0.00 N ATOM 193 CA LYS A 16 -9.014 -0.371 -2.902 1.00 0.00 C ATOM 194 C LYS A 16 -8.506 -0.960 -1.590 1.00 0.00 C ATOM 195 O LYS A 16 -7.927 -0.254 -0.764 1.00 0.00 O ATOM 196 CB LYS A 16 -7.925 0.492 -3.542 1.00 0.00 C ATOM 197 CG LYS A 16 -8.127 0.722 -5.030 1.00 0.00 C ATOM 198 CD LYS A 16 -7.491 2.025 -5.484 1.00 0.00 C ATOM 199 CE LYS A 16 -8.041 2.475 -6.829 1.00 0.00 C ATOM 200 NZ LYS A 16 -9.379 3.115 -6.694 1.00 0.00 N ATOM 0 H LYS A 16 -10.084 1.426 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.262 -1.191 -3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.893 1.456 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.957 0.016 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.696 -0.108 -5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.193 0.739 -5.255 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.673 2.799 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.411 1.898 -5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.347 3.178 -7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.114 1.617 -7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.912 2.996 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.900 2.668 -5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.260 4.129 -6.496 1.00 0.00 H new ATOM 214 N LYS A 17 -8.724 -2.257 -1.405 1.00 0.00 N ATOM 215 CA LYS A 17 -8.285 -2.943 -0.195 1.00 0.00 C ATOM 216 C LYS A 17 -6.765 -3.060 -0.157 1.00 0.00 C ATOM 217 O LYS A 17 -6.137 -3.450 -1.143 1.00 0.00 O ATOM 218 CB LYS A 17 -8.917 -4.334 -0.115 1.00 0.00 C ATOM 219 CG LYS A 17 -10.304 -4.337 0.505 1.00 0.00 C ATOM 220 CD LYS A 17 -11.383 -4.114 -0.542 1.00 0.00 C ATOM 221 CE LYS A 17 -11.718 -5.400 -1.281 1.00 0.00 C ATOM 222 NZ LYS A 17 -12.639 -6.268 -0.495 1.00 0.00 N ATOM 0 H LYS A 17 -9.203 -2.855 -2.078 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.608 -2.354 0.664 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.976 -4.755 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.266 -4.987 0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.476 -5.288 1.009 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.366 -3.558 1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.281 -3.724 -0.063 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.049 -3.360 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.176 -5.159 -2.240 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.799 -5.946 -1.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.843 -7.134 -1.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.192 -6.519 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.526 -5.757 -0.312 1.00 0.00 H new ATOM 236 N CYS A 18 -6.178 -2.723 0.986 1.00 0.00 N ATOM 237 CA CYS A 18 -4.732 -2.792 1.154 1.00 0.00 C ATOM 238 C CYS A 18 -4.202 -4.165 0.750 1.00 0.00 C ATOM 239 O CYS A 18 -4.915 -5.165 0.833 1.00 0.00 O ATOM 240 CB CYS A 18 -4.350 -2.492 2.605 1.00 0.00 C ATOM 241 SG CYS A 18 -2.567 -2.227 2.865 1.00 0.00 S ATOM 0 H CYS A 18 -6.683 -2.399 1.811 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.280 -2.042 0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.890 -1.605 2.936 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.679 -3.319 3.234 1.00 0.00 H new ATOM 246 N ALA A 19 -2.947 -4.205 0.315 1.00 0.00 N ATOM 247 CA ALA A 19 -2.321 -5.454 -0.099 1.00 0.00 C ATOM 248 C ALA A 19 -1.348 -5.958 0.961 1.00 0.00 C ATOM 249 O ALA A 19 -0.414 -6.700 0.658 1.00 0.00 O ATOM 250 CB ALA A 19 -1.607 -5.271 -1.430 1.00 0.00 C ATOM 0 H ALA A 19 -2.344 -3.386 0.240 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.105 -6.202 -0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.144 -6.212 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.326 -4.965 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.838 -4.505 -1.328 1.00 0.00 H new ATOM 256 N GLY A 20 -1.572 -5.549 2.206 1.00 0.00 N ATOM 257 CA GLY A 20 -0.706 -5.969 3.292 1.00 0.00 C ATOM 258 C GLY A 20 -1.483 -6.417 4.514 1.00 0.00 C ATOM 259 O GLY A 20 -1.162 -7.438 5.124 1.00 0.00 O ATOM 0 H GLY A 20 -2.338 -4.934 2.482 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.070 -6.786 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.047 -5.145 3.566 1.00 0.00 H new ATOM 263 N CYS A 21 -2.509 -5.653 4.874 1.00 0.00 N ATOM 264 CA CYS A 21 -3.333 -5.975 6.033 1.00 0.00 C ATOM 265 C CYS A 21 -4.679 -6.548 5.599 1.00 0.00 C ATOM 266 O CYS A 21 -5.403 -7.139 6.402 1.00 0.00 O ATOM 267 CB CYS A 21 -3.551 -4.728 6.893 1.00 0.00 C ATOM 268 SG CYS A 21 -4.335 -3.342 6.008 1.00 0.00 S ATOM 0 H CYS A 21 -2.790 -4.806 4.379 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.809 -6.727 6.623 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.170 -4.994 7.750 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.589 -4.397 7.285 1.00 0.00 H new ATOM 273 N LYS A 22 -5.009 -6.370 4.325 1.00 0.00 N ATOM 274 CA LYS A 22 -6.267 -6.870 3.782 1.00 0.00 C ATOM 275 C LYS A 22 -7.457 -6.188 4.450 1.00 0.00 C ATOM 276 O LYS A 22 -8.349 -6.852 4.977 1.00 0.00 O ATOM 277 CB LYS A 22 -6.361 -8.385 3.972 1.00 0.00 C ATOM 278 CG LYS A 22 -5.095 -9.127 3.581 1.00 0.00 C ATOM 279 CD LYS A 22 -4.806 -8.992 2.095 1.00 0.00 C ATOM 280 CE LYS A 22 -5.689 -9.916 1.270 1.00 0.00 C ATOM 281 NZ LYS A 22 -5.084 -11.268 1.114 1.00 0.00 N ATOM 0 H LYS A 22 -4.422 -5.883 3.648 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.291 -6.641 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.589 -8.598 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.193 -8.766 3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.253 -8.738 4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.196 -10.181 3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.967 -7.960 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.758 -9.223 1.905 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.665 -10.008 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.855 -9.477 0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.716 -11.868 0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.164 -11.184 0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.949 -11.698 2.051 1.00 0.00 H new ATOM 295 N ASN A 23 -7.464 -4.860 4.423 1.00 0.00 N ATOM 296 CA ASN A 23 -8.545 -4.089 5.026 1.00 0.00 C ATOM 297 C ASN A 23 -8.881 -2.866 4.177 1.00 0.00 C ATOM 298 O ASN A 23 -8.088 -2.419 3.348 1.00 0.00 O ATOM 299 CB ASN A 23 -8.161 -3.651 6.441 1.00 0.00 C ATOM 300 CG ASN A 23 -8.526 -4.687 7.486 1.00 0.00 C ATOM 301 OD1 ASN A 23 -9.626 -4.667 8.038 1.00 0.00 O ATOM 302 ND2 ASN A 23 -7.601 -5.599 7.763 1.00 0.00 N ATOM 0 H ASN A 23 -6.733 -4.295 3.990 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.427 -4.727 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.088 -3.461 6.481 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -8.660 -2.711 6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.789 -6.321 8.458 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.703 -5.577 7.280 1.00 0.00 H new ATOM 309 N PRO A 24 -10.084 -2.312 4.387 1.00 0.00 N ATOM 310 CA PRO A 24 -10.552 -1.133 3.652 1.00 0.00 C ATOM 311 C PRO A 24 -9.792 0.131 4.040 1.00 0.00 C ATOM 312 O PRO A 24 -9.611 0.419 5.223 1.00 0.00 O ATOM 313 CB PRO A 24 -12.022 -1.020 4.061 1.00 0.00 C ATOM 314 CG PRO A 24 -12.097 -1.686 5.392 1.00 0.00 C ATOM 315 CD PRO A 24 -11.080 -2.792 5.359 1.00 0.00 C ATOM 0 HA PRO A 24 -10.402 -1.236 2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.337 0.022 4.121 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.673 -1.509 3.336 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.880 -0.981 6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.097 -2.080 5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -10.636 -2.959 6.340 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.524 -3.737 5.046 1.00 0.00 H new ATOM 323 N ILE A 25 -9.351 0.882 3.036 1.00 0.00 N ATOM 324 CA ILE A 25 -8.613 2.117 3.273 1.00 0.00 C ATOM 325 C ILE A 25 -9.557 3.310 3.381 1.00 0.00 C ATOM 326 O ILE A 25 -9.670 4.112 2.454 1.00 0.00 O ATOM 327 CB ILE A 25 -7.590 2.385 2.154 1.00 0.00 C ATOM 328 CG1 ILE A 25 -6.759 1.130 1.882 1.00 0.00 C ATOM 329 CG2 ILE A 25 -6.690 3.552 2.528 1.00 0.00 C ATOM 330 CD1 ILE A 25 -5.763 1.297 0.755 1.00 0.00 C ATOM 0 H ILE A 25 -9.492 0.657 2.051 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.082 1.991 4.217 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.129 2.645 1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.224 0.854 2.791 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.430 0.304 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.972 3.729 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.296 4.446 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.156 3.319 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.209 0.368 0.618 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -6.293 1.543 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.068 2.101 0.999 1.00 0.00 H new ATOM 342 N THR A 26 -10.233 3.422 4.520 1.00 0.00 N ATOM 343 CA THR A 26 -11.167 4.517 4.750 1.00 0.00 C ATOM 344 C THR A 26 -10.444 5.758 5.260 1.00 0.00 C ATOM 345 O THR A 26 -9.243 5.723 5.525 1.00 0.00 O ATOM 346 CB THR A 26 -12.260 4.121 5.761 1.00 0.00 C ATOM 347 OG1 THR A 26 -11.708 4.065 7.081 1.00 0.00 O ATOM 348 CG2 THR A 26 -12.866 2.773 5.402 1.00 0.00 C ATOM 0 H THR A 26 -10.151 2.767 5.298 1.00 0.00 H new ATOM 0 HA THR A 26 -11.634 4.740 3.791 1.00 0.00 H new ATOM 0 HB THR A 26 -13.046 4.875 5.728 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.409 3.814 7.718 1.00 0.00 H new ATOM 0 HG21 THR A 26 -13.635 2.514 6.130 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.310 2.827 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.087 2.010 5.410 1.00 0.00 H new ATOM 356 N GLY A 27 -11.184 6.854 5.397 1.00 0.00 N ATOM 357 CA GLY A 27 -10.595 8.091 5.876 1.00 0.00 C ATOM 358 C GLY A 27 -11.185 9.314 5.202 1.00 0.00 C ATOM 359 O GLY A 27 -10.579 9.886 4.296 1.00 0.00 O ATOM 0 H GLY A 27 -12.180 6.907 5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.743 8.167 6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.519 8.068 5.703 1.00 0.00 H new ATOM 363 N PHE A 28 -12.373 9.715 5.642 1.00 0.00 N ATOM 364 CA PHE A 28 -13.047 10.876 5.072 1.00 0.00 C ATOM 365 C PHE A 28 -12.807 12.117 5.927 1.00 0.00 C ATOM 366 O PHE A 28 -13.339 12.238 7.029 1.00 0.00 O ATOM 367 CB PHE A 28 -14.549 10.611 4.949 1.00 0.00 C ATOM 368 CG PHE A 28 -14.926 9.864 3.701 1.00 0.00 C ATOM 369 CD1 PHE A 28 -14.336 8.647 3.402 1.00 0.00 C ATOM 370 CD2 PHE A 28 -15.869 10.380 2.828 1.00 0.00 C ATOM 371 CE1 PHE A 28 -14.680 7.957 2.254 1.00 0.00 C ATOM 372 CE2 PHE A 28 -16.218 9.695 1.679 1.00 0.00 C ATOM 373 CZ PHE A 28 -15.622 8.483 1.391 1.00 0.00 C ATOM 0 H PHE A 28 -12.889 9.253 6.391 1.00 0.00 H new ATOM 0 HA PHE A 28 -12.634 11.054 4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -14.882 10.043 5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -15.080 11.562 4.968 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.599 8.232 4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -16.337 11.328 3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -14.213 7.009 2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -16.956 10.107 1.007 1.00 0.00 H new ATOM 0 HZ PHE A 28 -15.892 7.947 0.493 1.00 0.00 H new ATOM 383 N GLY A 29 -12.001 13.039 5.408 1.00 0.00 N ATOM 384 CA GLY A 29 -11.703 14.258 6.136 1.00 0.00 C ATOM 385 C GLY A 29 -10.751 15.165 5.382 1.00 0.00 C ATOM 386 O GLY A 29 -10.889 15.356 4.173 1.00 0.00 O ATOM 0 H GLY A 29 -11.550 12.963 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.631 14.795 6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.268 14.003 7.103 1.00 0.00 H new ATOM 390 N LYS A 30 -9.783 15.729 6.096 1.00 0.00 N ATOM 391 CA LYS A 30 -8.803 16.622 5.488 1.00 0.00 C ATOM 392 C LYS A 30 -7.387 16.089 5.682 1.00 0.00 C ATOM 393 O LYS A 30 -6.708 16.441 6.646 1.00 0.00 O ATOM 394 CB LYS A 30 -8.919 18.024 6.090 1.00 0.00 C ATOM 395 CG LYS A 30 -10.136 18.794 5.608 1.00 0.00 C ATOM 396 CD LYS A 30 -10.326 20.084 6.389 1.00 0.00 C ATOM 397 CE LYS A 30 -9.264 21.113 6.032 1.00 0.00 C ATOM 398 NZ LYS A 30 -8.014 20.916 6.818 1.00 0.00 N ATOM 0 H LYS A 30 -9.656 15.583 7.098 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.009 16.674 4.419 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.958 17.942 7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.021 18.591 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.027 19.022 4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -11.025 18.172 5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.315 20.493 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.285 19.873 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.038 21.047 4.968 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.653 22.115 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.725 21.820 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.184 20.219 7.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.260 20.571 6.190 1.00 0.00 H new ATOM 412 N GLY A 31 -6.948 15.239 4.759 1.00 0.00 N ATOM 413 CA GLY A 31 -5.614 14.673 4.846 1.00 0.00 C ATOM 414 C GLY A 31 -5.610 13.168 4.667 1.00 0.00 C ATOM 415 O GLY A 31 -6.566 12.489 5.041 1.00 0.00 O ATOM 0 H GLY A 31 -7.492 14.932 3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.979 15.128 4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.180 14.922 5.814 1.00 0.00 H new ATOM 419 N SER A 32 -4.533 12.645 4.090 1.00 0.00 N ATOM 420 CA SER A 32 -4.411 11.211 3.857 1.00 0.00 C ATOM 421 C SER A 32 -2.953 10.819 3.634 1.00 0.00 C ATOM 422 O SER A 32 -2.205 11.526 2.959 1.00 0.00 O ATOM 423 CB SER A 32 -5.253 10.797 2.649 1.00 0.00 C ATOM 424 OG SER A 32 -6.618 10.657 3.002 1.00 0.00 O ATOM 0 H SER A 32 -3.732 13.193 3.775 1.00 0.00 H new ATOM 0 HA SER A 32 -4.777 10.691 4.742 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.153 11.542 1.860 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.880 9.855 2.247 1.00 0.00 H new ATOM 0 HG SER A 32 -6.798 11.167 3.819 1.00 0.00 H new ATOM 430 N SER A 33 -2.557 9.687 4.206 1.00 0.00 N ATOM 431 CA SER A 33 -1.189 9.201 4.074 1.00 0.00 C ATOM 432 C SER A 33 -1.171 7.741 3.632 1.00 0.00 C ATOM 433 O SER A 33 -1.033 6.834 4.453 1.00 0.00 O ATOM 434 CB SER A 33 -0.441 9.354 5.400 1.00 0.00 C ATOM 435 OG SER A 33 -0.840 10.533 6.078 1.00 0.00 O ATOM 0 H SER A 33 -3.165 9.089 4.766 1.00 0.00 H new ATOM 0 HA SER A 33 -0.689 9.799 3.312 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.632 8.486 6.031 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.633 9.383 5.214 1.00 0.00 H new ATOM 0 HG SER A 33 -0.349 10.607 6.923 1.00 0.00 H new ATOM 441 N VAL A 34 -1.311 7.521 2.329 1.00 0.00 N ATOM 442 CA VAL A 34 -1.310 6.172 1.776 1.00 0.00 C ATOM 443 C VAL A 34 -0.548 6.119 0.457 1.00 0.00 C ATOM 444 O VAL A 34 -0.611 7.049 -0.347 1.00 0.00 O ATOM 445 CB VAL A 34 -2.744 5.658 1.549 1.00 0.00 C ATOM 446 CG1 VAL A 34 -3.476 6.540 0.550 1.00 0.00 C ATOM 447 CG2 VAL A 34 -2.722 4.211 1.079 1.00 0.00 C ATOM 0 H VAL A 34 -1.427 8.260 1.636 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.813 5.531 2.505 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.281 5.701 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.487 6.161 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.523 7.560 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.943 6.532 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.743 3.863 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.168 4.141 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.239 3.591 1.834 1.00 0.00 H new ATOM 457 N VAL A 35 0.173 5.024 0.240 1.00 0.00 N ATOM 458 CA VAL A 35 0.947 4.848 -0.983 1.00 0.00 C ATOM 459 C VAL A 35 0.153 4.076 -2.030 1.00 0.00 C ATOM 460 O VAL A 35 -0.686 3.240 -1.696 1.00 0.00 O ATOM 461 CB VAL A 35 2.269 4.107 -0.709 1.00 0.00 C ATOM 462 CG1 VAL A 35 3.146 4.100 -1.952 1.00 0.00 C ATOM 463 CG2 VAL A 35 3.001 4.739 0.466 1.00 0.00 C ATOM 0 H VAL A 35 0.237 4.245 0.895 1.00 0.00 H new ATOM 0 HA VAL A 35 1.170 5.845 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 35 2.038 3.073 -0.451 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.075 3.572 -1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.621 3.597 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.370 5.126 -2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.933 4.203 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.221 5.782 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.374 4.685 1.356 1.00 0.00 H new ATOM 473 N ALA A 36 0.422 4.363 -3.300 1.00 0.00 N ATOM 474 CA ALA A 36 -0.266 3.694 -4.397 1.00 0.00 C ATOM 475 C ALA A 36 0.706 3.330 -5.514 1.00 0.00 C ATOM 476 O ALA A 36 1.635 4.082 -5.811 1.00 0.00 O ATOM 477 CB ALA A 36 -1.384 4.575 -4.934 1.00 0.00 C ATOM 0 H ALA A 36 1.112 5.055 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.699 2.770 -4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.889 4.063 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.100 4.780 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.965 5.514 -5.297 1.00 0.00 H new ATOM 483 N TYR A 37 0.487 2.174 -6.129 1.00 0.00 N ATOM 484 CA TYR A 37 1.345 1.709 -7.212 1.00 0.00 C ATOM 485 C TYR A 37 0.649 0.629 -8.034 1.00 0.00 C ATOM 486 O TYR A 37 0.075 -0.311 -7.484 1.00 0.00 O ATOM 487 CB TYR A 37 2.662 1.169 -6.651 1.00 0.00 C ATOM 488 CG TYR A 37 3.703 0.891 -7.711 1.00 0.00 C ATOM 489 CD1 TYR A 37 4.196 1.912 -8.514 1.00 0.00 C ATOM 490 CD2 TYR A 37 4.196 -0.394 -7.909 1.00 0.00 C ATOM 491 CE1 TYR A 37 5.146 1.662 -9.485 1.00 0.00 C ATOM 492 CE2 TYR A 37 5.148 -0.652 -8.876 1.00 0.00 C ATOM 493 CZ TYR A 37 5.620 0.378 -9.661 1.00 0.00 C ATOM 494 OH TYR A 37 6.568 0.125 -10.626 1.00 0.00 O ATOM 0 H TYR A 37 -0.278 1.541 -5.896 1.00 0.00 H new ATOM 0 HA TYR A 37 1.555 2.557 -7.864 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.065 1.888 -5.938 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.463 0.250 -6.100 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.830 2.919 -8.377 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.828 -1.204 -7.296 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.516 2.467 -10.103 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.521 -1.656 -9.016 1.00 0.00 H new ATOM 0 HH TYR A 37 6.795 -0.828 -10.619 1.00 0.00 H new ATOM 504 N GLU A 38 0.706 0.770 -9.355 1.00 0.00 N ATOM 505 CA GLU A 38 0.081 -0.193 -10.253 1.00 0.00 C ATOM 506 C GLU A 38 -1.383 -0.413 -9.882 1.00 0.00 C ATOM 507 O GLU A 38 -1.926 -1.500 -10.074 1.00 0.00 O ATOM 508 CB GLU A 38 0.835 -1.524 -10.214 1.00 0.00 C ATOM 509 CG GLU A 38 2.305 -1.402 -10.575 1.00 0.00 C ATOM 510 CD GLU A 38 2.568 -1.656 -12.047 1.00 0.00 C ATOM 511 OE1 GLU A 38 1.989 -2.618 -12.594 1.00 0.00 O ATOM 512 OE2 GLU A 38 3.351 -0.894 -12.651 1.00 0.00 O ATOM 0 H GLU A 38 1.178 1.542 -9.826 1.00 0.00 H new ATOM 0 HA GLU A 38 0.124 0.211 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.749 -1.951 -9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.358 -2.222 -10.901 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.658 -0.404 -10.314 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.881 -2.110 -9.979 1.00 0.00 H new ATOM 519 N GLY A 39 -2.015 0.628 -9.348 1.00 0.00 N ATOM 520 CA GLY A 39 -3.409 0.528 -8.958 1.00 0.00 C ATOM 521 C GLY A 39 -3.577 0.145 -7.501 1.00 0.00 C ATOM 522 O GLY A 39 -4.488 0.625 -6.828 1.00 0.00 O ATOM 0 H GLY A 39 -1.587 1.538 -9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.903 1.483 -9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.906 -0.212 -9.585 1.00 0.00 H new ATOM 526 N GLN A 40 -2.696 -0.723 -7.013 1.00 0.00 N ATOM 527 CA GLN A 40 -2.753 -1.172 -5.627 1.00 0.00 C ATOM 528 C GLN A 40 -2.441 -0.026 -4.671 1.00 0.00 C ATOM 529 O GLN A 40 -2.046 1.060 -5.095 1.00 0.00 O ATOM 530 CB GLN A 40 -1.772 -2.323 -5.401 1.00 0.00 C ATOM 531 CG GLN A 40 -2.315 -3.678 -5.825 1.00 0.00 C ATOM 532 CD GLN A 40 -1.217 -4.660 -6.183 1.00 0.00 C ATOM 533 OE1 GLN A 40 -0.881 -4.833 -7.355 1.00 0.00 O ATOM 534 NE2 GLN A 40 -0.651 -5.310 -5.173 1.00 0.00 N ATOM 0 H GLN A 40 -1.935 -1.129 -7.557 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.765 -1.523 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.854 -2.120 -5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.507 -2.362 -4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.919 -4.092 -5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.975 -3.549 -6.682 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.961 -5.136 -4.217 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.093 -5.984 -5.353 1.00 0.00 H new ATOM 543 N SER A 41 -2.620 -0.275 -3.377 1.00 0.00 N ATOM 544 CA SER A 41 -2.361 0.738 -2.361 1.00 0.00 C ATOM 545 C SER A 41 -1.779 0.106 -1.100 1.00 0.00 C ATOM 546 O SER A 41 -1.912 -1.098 -0.878 1.00 0.00 O ATOM 547 CB SER A 41 -3.649 1.489 -2.019 1.00 0.00 C ATOM 548 OG SER A 41 -4.749 0.600 -1.924 1.00 0.00 O ATOM 0 H SER A 41 -2.943 -1.169 -3.008 1.00 0.00 H new ATOM 0 HA SER A 41 -1.633 1.443 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.524 2.020 -1.075 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.849 2.240 -2.783 1.00 0.00 H new ATOM 0 HG SER A 41 -4.466 -0.224 -1.476 1.00 0.00 H new ATOM 554 N TRP A 42 -1.133 0.926 -0.279 1.00 0.00 N ATOM 555 CA TRP A 42 -0.530 0.448 0.960 1.00 0.00 C ATOM 556 C TRP A 42 -0.452 1.565 1.994 1.00 0.00 C ATOM 557 O TRP A 42 0.095 2.636 1.726 1.00 0.00 O ATOM 558 CB TRP A 42 0.868 -0.111 0.688 1.00 0.00 C ATOM 559 CG TRP A 42 0.851 -1.445 0.005 1.00 0.00 C ATOM 560 CD1 TRP A 42 0.764 -2.671 0.602 1.00 0.00 C ATOM 561 CD2 TRP A 42 0.926 -1.688 -1.404 1.00 0.00 C ATOM 562 NE1 TRP A 42 0.780 -3.660 -0.352 1.00 0.00 N ATOM 563 CE2 TRP A 42 0.878 -3.083 -1.590 1.00 0.00 C ATOM 564 CE3 TRP A 42 1.026 -0.862 -2.527 1.00 0.00 C ATOM 565 CZ2 TRP A 42 0.929 -3.668 -2.853 1.00 0.00 C ATOM 566 CZ3 TRP A 42 1.077 -1.444 -3.779 1.00 0.00 C ATOM 567 CH2 TRP A 42 1.027 -2.835 -3.934 1.00 0.00 C ATOM 0 H TRP A 42 -1.013 1.925 -0.449 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.160 -0.347 1.359 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.421 0.598 0.072 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.406 -0.201 1.632 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.693 -2.838 1.667 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.727 -4.662 -0.168 1.00 0.00 H new ATOM 0 HE3 TRP A 42 1.063 0.212 -2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.893 -4.741 -2.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.157 -0.815 -4.653 1.00 0.00 H new ATOM 0 HH2 TRP A 42 1.067 -3.259 -4.927 1.00 0.00 H new ATOM 578 N HIS A 43 -1.001 1.310 3.177 1.00 0.00 N ATOM 579 CA HIS A 43 -0.992 2.296 4.253 1.00 0.00 C ATOM 580 C HIS A 43 0.430 2.758 4.554 1.00 0.00 C ATOM 581 O HIS A 43 1.399 2.067 4.236 1.00 0.00 O ATOM 582 CB HIS A 43 -1.629 1.712 5.514 1.00 0.00 C ATOM 583 CG HIS A 43 -3.068 1.337 5.339 1.00 0.00 C ATOM 584 ND1 HIS A 43 -3.515 0.033 5.366 1.00 0.00 N ATOM 585 CD2 HIS A 43 -4.165 2.104 5.137 1.00 0.00 C ATOM 586 CE1 HIS A 43 -4.823 0.014 5.185 1.00 0.00 C ATOM 587 NE2 HIS A 43 -5.243 1.259 5.044 1.00 0.00 N ATOM 0 H HIS A 43 -1.458 0.430 3.415 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.574 3.158 3.927 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.067 0.830 5.820 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.547 2.438 6.322 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.188 3.181 5.063 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.444 -0.869 5.157 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.210 1.545 4.891 1.00 0.00 H new ATOM 595 N ASP A 44 0.549 3.930 5.168 1.00 0.00 N ATOM 596 CA ASP A 44 1.853 4.485 5.513 1.00 0.00 C ATOM 597 C ASP A 44 2.610 3.550 6.451 1.00 0.00 C ATOM 598 O ASP A 44 3.841 3.529 6.463 1.00 0.00 O ATOM 599 CB ASP A 44 1.691 5.859 6.164 1.00 0.00 C ATOM 600 CG ASP A 44 2.968 6.343 6.821 1.00 0.00 C ATOM 601 OD1 ASP A 44 3.800 6.956 6.120 1.00 0.00 O ATOM 602 OD2 ASP A 44 3.137 6.107 8.036 1.00 0.00 O ATOM 0 H ASP A 44 -0.242 4.515 5.437 1.00 0.00 H new ATOM 0 HA ASP A 44 2.429 4.593 4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.378 6.581 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.897 5.813 6.910 1.00 0.00 H new ATOM 607 N TYR A 45 1.866 2.779 7.237 1.00 0.00 N ATOM 608 CA TYR A 45 2.467 1.845 8.182 1.00 0.00 C ATOM 609 C TYR A 45 2.623 0.463 7.556 1.00 0.00 C ATOM 610 O TYR A 45 3.440 -0.345 8.000 1.00 0.00 O ATOM 611 CB TYR A 45 1.616 1.750 9.449 1.00 0.00 C ATOM 612 CG TYR A 45 0.162 1.436 9.180 1.00 0.00 C ATOM 613 CD1 TYR A 45 -0.268 0.124 9.023 1.00 0.00 C ATOM 614 CD2 TYR A 45 -0.783 2.451 9.083 1.00 0.00 C ATOM 615 CE1 TYR A 45 -1.596 -0.168 8.776 1.00 0.00 C ATOM 616 CE2 TYR A 45 -2.112 2.168 8.837 1.00 0.00 C ATOM 617 CZ TYR A 45 -2.514 0.857 8.684 1.00 0.00 C ATOM 618 OH TYR A 45 -3.838 0.571 8.440 1.00 0.00 O ATOM 0 H TYR A 45 0.846 2.782 7.238 1.00 0.00 H new ATOM 0 HA TYR A 45 3.456 2.219 8.445 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.031 0.979 10.098 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.681 2.693 9.992 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.448 -0.681 9.095 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.472 3.478 9.202 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.913 -1.193 8.656 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.833 2.969 8.765 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.352 1.405 8.406 1.00 0.00 H new ATOM 628 N CYS A 46 1.834 0.197 6.520 1.00 0.00 N ATOM 629 CA CYS A 46 1.882 -1.087 5.831 1.00 0.00 C ATOM 630 C CYS A 46 3.015 -1.113 4.809 1.00 0.00 C ATOM 631 O CYS A 46 3.669 -2.139 4.617 1.00 0.00 O ATOM 632 CB CYS A 46 0.548 -1.368 5.137 1.00 0.00 C ATOM 633 SG CYS A 46 -0.684 -2.189 6.199 1.00 0.00 S ATOM 0 H CYS A 46 1.153 0.854 6.139 1.00 0.00 H new ATOM 0 HA CYS A 46 2.067 -1.863 6.574 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.132 -0.427 4.777 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.730 -1.991 4.261 1.00 0.00 H new ATOM 638 N PHE A 47 3.242 0.022 4.156 1.00 0.00 N ATOM 639 CA PHE A 47 4.295 0.130 3.153 1.00 0.00 C ATOM 640 C PHE A 47 5.674 0.073 3.804 1.00 0.00 C ATOM 641 O PHE A 47 6.179 1.079 4.304 1.00 0.00 O ATOM 642 CB PHE A 47 4.144 1.432 2.363 1.00 0.00 C ATOM 643 CG PHE A 47 4.643 1.336 0.949 1.00 0.00 C ATOM 644 CD1 PHE A 47 4.176 0.345 0.102 1.00 0.00 C ATOM 645 CD2 PHE A 47 5.578 2.238 0.468 1.00 0.00 C ATOM 646 CE1 PHE A 47 4.634 0.254 -1.199 1.00 0.00 C ATOM 647 CE2 PHE A 47 6.040 2.152 -0.832 1.00 0.00 C ATOM 648 CZ PHE A 47 5.566 1.160 -1.667 1.00 0.00 C ATOM 0 H PHE A 47 2.711 0.880 4.304 1.00 0.00 H new ATOM 0 HA PHE A 47 4.200 -0.714 2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.093 1.720 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.686 2.225 2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.446 -0.365 0.462 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.950 3.017 1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.264 -0.525 -1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.771 2.860 -1.194 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.923 1.092 -2.684 1.00 0.00 H new ATOM 658 N HIS A 48 6.278 -1.111 3.794 1.00 0.00 N ATOM 659 CA HIS A 48 7.599 -1.300 4.383 1.00 0.00 C ATOM 660 C HIS A 48 8.258 -2.566 3.843 1.00 0.00 C ATOM 661 O HIS A 48 7.580 -3.475 3.361 1.00 0.00 O ATOM 662 CB HIS A 48 7.495 -1.375 5.906 1.00 0.00 C ATOM 663 CG HIS A 48 6.543 -2.425 6.391 1.00 0.00 C ATOM 664 ND1 HIS A 48 5.505 -2.157 7.259 1.00 0.00 N ATOM 665 CD2 HIS A 48 6.475 -3.750 6.123 1.00 0.00 C ATOM 666 CE1 HIS A 48 4.841 -3.272 7.505 1.00 0.00 C ATOM 667 NE2 HIS A 48 5.409 -4.254 6.827 1.00 0.00 N ATOM 0 H HIS A 48 5.874 -1.953 3.385 1.00 0.00 H new ATOM 0 HA HIS A 48 8.217 -0.445 4.110 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.484 -1.574 6.320 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.178 -0.405 6.288 1.00 0.00 H new ATOM 0 HD1 HIS A 48 5.285 -1.241 7.650 1.00 0.00 H new ATOM 0 HD2 HIS A 48 7.136 -4.307 5.476 1.00 0.00 H new ATOM 0 HE1 HIS A 48 3.980 -3.365 8.151 1.00 0.00 H new ATOM 675 N CYS A 49 9.583 -2.619 3.926 1.00 0.00 N ATOM 676 CA CYS A 49 10.335 -3.772 3.445 1.00 0.00 C ATOM 677 C CYS A 49 9.865 -5.052 4.131 1.00 0.00 C ATOM 678 O CYS A 49 9.399 -5.024 5.270 1.00 0.00 O ATOM 679 CB CYS A 49 11.831 -3.569 3.689 1.00 0.00 C ATOM 680 SG CYS A 49 12.895 -4.761 2.814 1.00 0.00 S ATOM 0 H CYS A 49 10.159 -1.876 4.322 1.00 0.00 H new ATOM 0 HA CYS A 49 10.159 -3.869 2.374 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.105 -2.560 3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.027 -3.640 4.759 1.00 0.00 H new ATOM 685 N LYS A 50 9.992 -6.173 3.429 1.00 0.00 N ATOM 686 CA LYS A 50 9.583 -7.464 3.969 1.00 0.00 C ATOM 687 C LYS A 50 10.789 -8.252 4.469 1.00 0.00 C ATOM 688 O LYS A 50 10.751 -9.480 4.552 1.00 0.00 O ATOM 689 CB LYS A 50 8.838 -8.272 2.904 1.00 0.00 C ATOM 690 CG LYS A 50 7.889 -9.309 3.480 1.00 0.00 C ATOM 691 CD LYS A 50 6.630 -8.664 4.037 1.00 0.00 C ATOM 692 CE LYS A 50 5.571 -8.488 2.960 1.00 0.00 C ATOM 693 NZ LYS A 50 4.263 -8.067 3.533 1.00 0.00 N ATOM 0 H LYS A 50 10.375 -6.213 2.485 1.00 0.00 H new ATOM 0 HA LYS A 50 8.916 -7.282 4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.274 -7.588 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.565 -8.773 2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.619 -10.027 2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.393 -9.866 4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.231 -9.279 4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.877 -7.694 4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.907 -7.744 2.238 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.445 -9.425 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.568 -7.958 2.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.929 -8.789 4.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.377 -7.160 4.029 1.00 0.00 H new ATOM 707 N LYS A 51 11.860 -7.538 4.801 1.00 0.00 N ATOM 708 CA LYS A 51 13.077 -8.169 5.296 1.00 0.00 C ATOM 709 C LYS A 51 13.612 -7.435 6.521 1.00 0.00 C ATOM 710 O LYS A 51 13.743 -8.016 7.598 1.00 0.00 O ATOM 711 CB LYS A 51 14.144 -8.197 4.198 1.00 0.00 C ATOM 712 CG LYS A 51 15.091 -9.379 4.301 1.00 0.00 C ATOM 713 CD LYS A 51 15.870 -9.583 3.012 1.00 0.00 C ATOM 714 CE LYS A 51 16.462 -10.982 2.934 1.00 0.00 C ATOM 715 NZ LYS A 51 17.442 -11.232 4.027 1.00 0.00 N ATOM 0 H LYS A 51 11.909 -6.521 4.736 1.00 0.00 H new ATOM 0 HA LYS A 51 12.834 -9.192 5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.652 -8.220 3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.722 -7.274 4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.786 -9.219 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.525 -10.281 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.213 -9.417 2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.669 -8.844 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.661 -11.719 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 51 16.952 -11.116 1.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.860 -12.177 3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.193 -10.514 3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.958 -11.180 4.946 1.00 0.00 H new ATOM 729 N CYS A 52 13.919 -6.153 6.349 1.00 0.00 N ATOM 730 CA CYS A 52 14.439 -5.338 7.441 1.00 0.00 C ATOM 731 C CYS A 52 13.315 -4.568 8.127 1.00 0.00 C ATOM 732 O CYS A 52 13.499 -4.016 9.212 1.00 0.00 O ATOM 733 CB CYS A 52 15.495 -4.362 6.918 1.00 0.00 C ATOM 734 SG CYS A 52 14.874 -3.195 5.665 1.00 0.00 S ATOM 0 H CYS A 52 13.817 -5.656 5.464 1.00 0.00 H new ATOM 0 HA CYS A 52 14.899 -6.004 8.172 1.00 0.00 H new ATOM 0 HB2 CYS A 52 15.899 -3.796 7.758 1.00 0.00 H new ATOM 0 HB3 CYS A 52 16.321 -4.931 6.491 1.00 0.00 H new ATOM 739 N SER A 53 12.150 -4.535 7.487 1.00 0.00 N ATOM 740 CA SER A 53 10.997 -3.830 8.034 1.00 0.00 C ATOM 741 C SER A 53 11.274 -2.334 8.137 1.00 0.00 C ATOM 742 O SER A 53 11.191 -1.748 9.217 1.00 0.00 O ATOM 743 CB SER A 53 10.637 -4.390 9.412 1.00 0.00 C ATOM 744 OG SER A 53 10.945 -5.770 9.498 1.00 0.00 O ATOM 0 H SER A 53 11.980 -4.988 6.589 1.00 0.00 H new ATOM 0 HA SER A 53 10.156 -3.980 7.357 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.181 -3.844 10.183 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.575 -4.239 9.603 1.00 0.00 H new ATOM 0 HG SER A 53 10.707 -6.103 10.388 1.00 0.00 H new ATOM 750 N VAL A 54 11.604 -1.720 7.005 1.00 0.00 N ATOM 751 CA VAL A 54 11.892 -0.291 6.965 1.00 0.00 C ATOM 752 C VAL A 54 10.727 0.488 6.367 1.00 0.00 C ATOM 753 O VAL A 54 10.089 0.038 5.416 1.00 0.00 O ATOM 754 CB VAL A 54 13.165 0.002 6.149 1.00 0.00 C ATOM 755 CG1 VAL A 54 12.958 -0.365 4.687 1.00 0.00 C ATOM 756 CG2 VAL A 54 13.562 1.464 6.290 1.00 0.00 C ATOM 0 H VAL A 54 11.679 -2.190 6.103 1.00 0.00 H new ATOM 0 HA VAL A 54 12.048 0.030 7.995 1.00 0.00 H new ATOM 0 HB VAL A 54 13.977 -0.611 6.541 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.868 -0.151 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 54 12.724 -1.427 4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.134 0.220 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 54 14.463 1.654 5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.754 2.097 5.925 1.00 0.00 H new ATOM 0 HG23 VAL A 54 13.754 1.689 7.339 1.00 0.00 H new ATOM 766 N ASN A 55 10.455 1.661 6.930 1.00 0.00 N ATOM 767 CA ASN A 55 9.365 2.504 6.452 1.00 0.00 C ATOM 768 C ASN A 55 9.711 3.126 5.103 1.00 0.00 C ATOM 769 O ASN A 55 10.516 4.055 5.022 1.00 0.00 O ATOM 770 CB ASN A 55 9.060 3.605 7.470 1.00 0.00 C ATOM 771 CG ASN A 55 7.799 4.374 7.130 1.00 0.00 C ATOM 772 OD1 ASN A 55 7.855 5.442 6.520 1.00 0.00 O ATOM 773 ND2 ASN A 55 6.652 3.833 7.523 1.00 0.00 N ATOM 0 H ASN A 55 10.974 2.049 7.717 1.00 0.00 H new ATOM 0 HA ASN A 55 8.482 1.878 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 55 8.956 3.162 8.460 1.00 0.00 H new ATOM 0 HB3 ASN A 55 9.902 4.296 7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.770 4.305 7.322 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.653 2.946 8.026 1.00 0.00 H new ATOM 780 N LEU A 56 9.097 2.608 4.045 1.00 0.00 N ATOM 781 CA LEU A 56 9.338 3.112 2.697 1.00 0.00 C ATOM 782 C LEU A 56 8.164 3.956 2.213 1.00 0.00 C ATOM 783 O LEU A 56 7.961 4.124 1.011 1.00 0.00 O ATOM 784 CB LEU A 56 9.578 1.950 1.732 1.00 0.00 C ATOM 785 CG LEU A 56 10.774 1.051 2.048 1.00 0.00 C ATOM 786 CD1 LEU A 56 10.616 -0.303 1.373 1.00 0.00 C ATOM 787 CD2 LEU A 56 12.072 1.717 1.615 1.00 0.00 C ATOM 0 H LEU A 56 8.428 1.839 4.094 1.00 0.00 H new ATOM 0 HA LEU A 56 10.227 3.742 2.725 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.680 1.332 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.710 2.358 0.730 1.00 0.00 H new ATOM 0 HG LEU A 56 10.812 0.895 3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.476 -0.930 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.707 -0.785 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.552 -0.166 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.912 1.063 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.044 1.904 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.191 2.662 2.145 1.00 0.00 H new ATOM 799 N ALA A 57 7.394 4.487 3.157 1.00 0.00 N ATOM 800 CA ALA A 57 6.242 5.317 2.827 1.00 0.00 C ATOM 801 C ALA A 57 6.651 6.504 1.962 1.00 0.00 C ATOM 802 O ALA A 57 7.381 7.388 2.409 1.00 0.00 O ATOM 803 CB ALA A 57 5.557 5.799 4.098 1.00 0.00 C ATOM 0 H ALA A 57 7.547 4.357 4.157 1.00 0.00 H new ATOM 0 HA ALA A 57 5.539 4.710 2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.699 6.418 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.222 4.940 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.260 6.385 4.690 1.00 0.00 H new ATOM 809 N ASN A 58 6.177 6.517 0.720 1.00 0.00 N ATOM 810 CA ASN A 58 6.495 7.595 -0.208 1.00 0.00 C ATOM 811 C ASN A 58 7.993 7.646 -0.490 1.00 0.00 C ATOM 812 O ASN A 58 8.555 8.715 -0.733 1.00 0.00 O ATOM 813 CB ASN A 58 6.025 8.937 0.356 1.00 0.00 C ATOM 814 CG ASN A 58 4.653 8.847 0.995 1.00 0.00 C ATOM 815 OD1 ASN A 58 3.657 8.583 0.321 1.00 0.00 O ATOM 816 ND2 ASN A 58 4.594 9.067 2.304 1.00 0.00 N ATOM 0 H ASN A 58 5.571 5.793 0.334 1.00 0.00 H new ATOM 0 HA ASN A 58 5.973 7.400 -1.145 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.745 9.289 1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.002 9.676 -0.444 1.00 0.00 H new ATOM 0 HD21 ASN A 58 3.698 9.020 2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.445 9.283 2.824 1.00 0.00 H new ATOM 823 N LYS A 59 8.636 6.484 -0.458 1.00 0.00 N ATOM 824 CA LYS A 59 10.069 6.393 -0.711 1.00 0.00 C ATOM 825 C LYS A 59 10.361 5.410 -1.840 1.00 0.00 C ATOM 826 O LYS A 59 9.443 4.864 -2.453 1.00 0.00 O ATOM 827 CB LYS A 59 10.806 5.963 0.559 1.00 0.00 C ATOM 828 CG LYS A 59 10.775 7.005 1.663 1.00 0.00 C ATOM 829 CD LYS A 59 11.522 6.530 2.898 1.00 0.00 C ATOM 830 CE LYS A 59 13.014 6.401 2.632 1.00 0.00 C ATOM 831 NZ LYS A 59 13.818 6.594 3.871 1.00 0.00 N ATOM 0 H LYS A 59 8.186 5.590 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 59 10.423 7.379 -1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.363 5.039 0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.844 5.741 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.219 7.932 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.741 7.228 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.357 7.231 3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.124 5.567 3.217 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.224 5.417 2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.315 7.137 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.829 6.498 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.637 7.542 4.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.550 5.876 4.574 1.00 0.00 H new ATOM 845 N ARG A 60 11.643 5.187 -2.108 1.00 0.00 N ATOM 846 CA ARG A 60 12.055 4.268 -3.162 1.00 0.00 C ATOM 847 C ARG A 60 11.956 2.820 -2.692 1.00 0.00 C ATOM 848 O ARG A 60 12.226 2.514 -1.530 1.00 0.00 O ATOM 849 CB ARG A 60 13.487 4.575 -3.604 1.00 0.00 C ATOM 850 CG ARG A 60 13.894 3.867 -4.886 1.00 0.00 C ATOM 851 CD ARG A 60 13.170 4.441 -6.094 1.00 0.00 C ATOM 852 NE ARG A 60 13.376 5.882 -6.221 1.00 0.00 N ATOM 853 CZ ARG A 60 12.705 6.647 -7.075 1.00 0.00 C ATOM 854 NH1 ARG A 60 11.790 6.113 -7.872 1.00 0.00 N ATOM 855 NH2 ARG A 60 12.948 7.950 -7.132 1.00 0.00 N ATOM 0 H ARG A 60 12.415 5.630 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 60 11.383 4.403 -4.009 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.592 5.651 -3.744 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.173 4.289 -2.807 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.971 3.960 -5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.674 2.803 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.522 3.943 -6.998 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.103 4.233 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 60 14.073 6.324 -5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.599 5.112 -7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.277 6.703 -8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.650 8.365 -6.520 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.432 8.537 -7.788 1.00 0.00 H new ATOM 869 N PHE A 61 11.566 1.933 -3.601 1.00 0.00 N ATOM 870 CA PHE A 61 11.429 0.518 -3.279 1.00 0.00 C ATOM 871 C PHE A 61 11.625 -0.344 -4.523 1.00 0.00 C ATOM 872 O PHE A 61 11.937 0.162 -5.600 1.00 0.00 O ATOM 873 CB PHE A 61 10.055 0.243 -2.665 1.00 0.00 C ATOM 874 CG PHE A 61 8.911 0.587 -3.577 1.00 0.00 C ATOM 875 CD1 PHE A 61 8.505 1.903 -3.734 1.00 0.00 C ATOM 876 CD2 PHE A 61 8.243 -0.405 -4.276 1.00 0.00 C ATOM 877 CE1 PHE A 61 7.454 2.223 -4.572 1.00 0.00 C ATOM 878 CE2 PHE A 61 7.191 -0.090 -5.116 1.00 0.00 C ATOM 879 CZ PHE A 61 6.795 1.225 -5.263 1.00 0.00 C ATOM 0 H PHE A 61 11.339 2.169 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 61 12.201 0.260 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 61 9.990 -0.811 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.958 0.814 -1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.016 2.687 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.547 -1.435 -4.164 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.148 3.252 -4.687 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.679 -0.872 -5.657 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.972 1.472 -5.917 1.00 0.00 H new ATOM 889 N VAL A 62 11.439 -1.651 -4.365 1.00 0.00 N ATOM 890 CA VAL A 62 11.594 -2.585 -5.474 1.00 0.00 C ATOM 891 C VAL A 62 10.604 -3.739 -5.363 1.00 0.00 C ATOM 892 O VAL A 62 10.711 -4.580 -4.470 1.00 0.00 O ATOM 893 CB VAL A 62 13.024 -3.154 -5.533 1.00 0.00 C ATOM 894 CG1 VAL A 62 13.173 -4.105 -6.711 1.00 0.00 C ATOM 895 CG2 VAL A 62 14.042 -2.026 -5.616 1.00 0.00 C ATOM 0 H VAL A 62 11.181 -2.087 -3.480 1.00 0.00 H new ATOM 0 HA VAL A 62 11.395 -2.026 -6.388 1.00 0.00 H new ATOM 0 HB VAL A 62 13.211 -3.716 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 62 14.190 -4.497 -6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 62 12.469 -4.930 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.967 -3.571 -7.638 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.047 -2.445 -5.657 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.858 -1.435 -6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.951 -1.388 -4.737 1.00 0.00 H new ATOM 905 N PHE A 63 9.640 -3.774 -6.277 1.00 0.00 N ATOM 906 CA PHE A 63 8.630 -4.826 -6.282 1.00 0.00 C ATOM 907 C PHE A 63 9.222 -6.147 -6.764 1.00 0.00 C ATOM 908 O PHE A 63 9.822 -6.216 -7.838 1.00 0.00 O ATOM 909 CB PHE A 63 7.452 -4.426 -7.174 1.00 0.00 C ATOM 910 CG PHE A 63 6.139 -5.001 -6.726 1.00 0.00 C ATOM 911 CD1 PHE A 63 5.666 -4.766 -5.445 1.00 0.00 C ATOM 912 CD2 PHE A 63 5.378 -5.776 -7.585 1.00 0.00 C ATOM 913 CE1 PHE A 63 4.458 -5.294 -5.029 1.00 0.00 C ATOM 914 CE2 PHE A 63 4.169 -6.306 -7.175 1.00 0.00 C ATOM 915 CZ PHE A 63 3.709 -6.065 -5.896 1.00 0.00 C ATOM 0 H PHE A 63 9.537 -3.086 -7.023 1.00 0.00 H new ATOM 0 HA PHE A 63 8.275 -4.959 -5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.375 -3.339 -7.195 1.00 0.00 H new ATOM 0 HB3 PHE A 63 7.653 -4.751 -8.195 1.00 0.00 H new ATOM 0 HD1 PHE A 63 6.248 -4.163 -4.763 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.733 -5.969 -8.587 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.101 -5.104 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.585 -6.908 -7.855 1.00 0.00 H new ATOM 0 HZ PHE A 63 2.765 -6.479 -5.574 1.00 0.00 H new ATOM 925 N HIS A 64 9.049 -7.193 -5.963 1.00 0.00 N ATOM 926 CA HIS A 64 9.566 -8.513 -6.307 1.00 0.00 C ATOM 927 C HIS A 64 8.809 -9.605 -5.558 1.00 0.00 C ATOM 928 O HIS A 64 8.522 -9.470 -4.369 1.00 0.00 O ATOM 929 CB HIS A 64 11.059 -8.599 -5.987 1.00 0.00 C ATOM 930 CG HIS A 64 11.785 -9.635 -6.788 1.00 0.00 C ATOM 931 ND1 HIS A 64 12.002 -9.521 -8.145 1.00 0.00 N ATOM 932 CD2 HIS A 64 12.346 -10.809 -6.416 1.00 0.00 C ATOM 933 CE1 HIS A 64 12.664 -10.581 -8.573 1.00 0.00 C ATOM 934 NE2 HIS A 64 12.886 -11.378 -7.543 1.00 0.00 N ATOM 0 H HIS A 64 8.555 -7.153 -5.072 1.00 0.00 H new ATOM 0 HA HIS A 64 9.423 -8.665 -7.377 1.00 0.00 H new ATOM 0 HB2 HIS A 64 11.517 -7.626 -6.166 1.00 0.00 H new ATOM 0 HB3 HIS A 64 11.183 -8.819 -4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 64 12.365 -11.222 -5.418 1.00 0.00 H new ATOM 0 HE1 HIS A 64 12.972 -10.765 -9.592 1.00 0.00 H new ATOM 0 HE2 HIS A 64 13.378 -12.271 -7.579 1.00 0.00 H new ATOM 942 N GLN A 65 8.488 -10.686 -6.262 1.00 0.00 N ATOM 943 CA GLN A 65 7.763 -11.800 -5.663 1.00 0.00 C ATOM 944 C GLN A 65 6.493 -11.314 -4.973 1.00 0.00 C ATOM 945 O GLN A 65 6.206 -11.699 -3.840 1.00 0.00 O ATOM 946 CB GLN A 65 8.654 -12.535 -4.660 1.00 0.00 C ATOM 947 CG GLN A 65 9.835 -13.246 -5.301 1.00 0.00 C ATOM 948 CD GLN A 65 10.818 -13.782 -4.280 1.00 0.00 C ATOM 949 OE1 GLN A 65 10.438 -14.142 -3.165 1.00 0.00 O ATOM 950 NE2 GLN A 65 12.090 -13.838 -4.655 1.00 0.00 N ATOM 0 H GLN A 65 8.719 -10.814 -7.247 1.00 0.00 H new ATOM 0 HA GLN A 65 7.481 -12.488 -6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.026 -11.821 -3.926 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.052 -13.265 -4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.469 -14.069 -5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.351 -12.556 -5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.360 -13.529 -5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.797 -14.190 -4.009 1.00 0.00 H new ATOM 959 N GLU A 66 5.736 -10.468 -5.664 1.00 0.00 N ATOM 960 CA GLU A 66 4.497 -9.929 -5.116 1.00 0.00 C ATOM 961 C GLU A 66 4.741 -9.277 -3.758 1.00 0.00 C ATOM 962 O GLU A 66 3.848 -9.229 -2.913 1.00 0.00 O ATOM 963 CB GLU A 66 3.449 -11.036 -4.981 1.00 0.00 C ATOM 964 CG GLU A 66 2.936 -11.553 -6.315 1.00 0.00 C ATOM 965 CD GLU A 66 1.515 -12.078 -6.229 1.00 0.00 C ATOM 966 OE1 GLU A 66 1.011 -12.243 -5.099 1.00 0.00 O ATOM 967 OE2 GLU A 66 0.909 -12.322 -7.293 1.00 0.00 O ATOM 0 H GLU A 66 5.959 -10.141 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 66 4.126 -9.169 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.879 -11.866 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.608 -10.660 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.979 -10.751 -7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.592 -12.348 -6.669 1.00 0.00 H new ATOM 974 N GLN A 67 5.956 -8.778 -3.558 1.00 0.00 N ATOM 975 CA GLN A 67 6.318 -8.130 -2.303 1.00 0.00 C ATOM 976 C GLN A 67 7.103 -6.848 -2.558 1.00 0.00 C ATOM 977 O GLN A 67 7.325 -6.462 -3.706 1.00 0.00 O ATOM 978 CB GLN A 67 7.141 -9.081 -1.432 1.00 0.00 C ATOM 979 CG GLN A 67 6.317 -10.184 -0.789 1.00 0.00 C ATOM 980 CD GLN A 67 7.120 -11.447 -0.546 1.00 0.00 C ATOM 981 OE1 GLN A 67 8.172 -11.653 -1.151 1.00 0.00 O ATOM 982 NE2 GLN A 67 6.628 -12.299 0.345 1.00 0.00 N ATOM 0 H GLN A 67 6.706 -8.810 -4.248 1.00 0.00 H new ATOM 0 HA GLN A 67 5.398 -7.872 -1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.924 -9.532 -2.041 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.637 -8.506 -0.650 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.915 -9.826 0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.466 -10.417 -1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.752 -12.088 0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.126 -13.165 0.552 1.00 0.00 H new ATOM 991 N VAL A 68 7.521 -6.191 -1.481 1.00 0.00 N ATOM 992 CA VAL A 68 8.283 -4.952 -1.589 1.00 0.00 C ATOM 993 C VAL A 68 9.615 -5.060 -0.856 1.00 0.00 C ATOM 994 O VAL A 68 9.693 -5.636 0.230 1.00 0.00 O ATOM 995 CB VAL A 68 7.493 -3.757 -1.022 1.00 0.00 C ATOM 996 CG1 VAL A 68 8.267 -2.462 -1.222 1.00 0.00 C ATOM 997 CG2 VAL A 68 6.120 -3.671 -1.670 1.00 0.00 C ATOM 0 H VAL A 68 7.345 -6.496 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 68 8.468 -4.786 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 68 7.356 -3.909 0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.694 -1.629 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.226 -2.528 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.437 -2.300 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.576 -2.821 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.233 -3.542 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.566 -4.588 -1.471 1.00 0.00 H new ATOM 1007 N TYR A 69 10.661 -4.502 -1.455 1.00 0.00 N ATOM 1008 CA TYR A 69 11.992 -4.538 -0.860 1.00 0.00 C ATOM 1009 C TYR A 69 12.780 -3.280 -1.214 1.00 0.00 C ATOM 1010 O TYR A 69 12.997 -2.979 -2.388 1.00 0.00 O ATOM 1011 CB TYR A 69 12.751 -5.779 -1.331 1.00 0.00 C ATOM 1012 CG TYR A 69 12.156 -7.077 -0.836 1.00 0.00 C ATOM 1013 CD1 TYR A 69 12.534 -7.616 0.388 1.00 0.00 C ATOM 1014 CD2 TYR A 69 11.215 -7.767 -1.592 1.00 0.00 C ATOM 1015 CE1 TYR A 69 11.994 -8.802 0.845 1.00 0.00 C ATOM 1016 CE2 TYR A 69 10.668 -8.953 -1.142 1.00 0.00 C ATOM 1017 CZ TYR A 69 11.061 -9.467 0.076 1.00 0.00 C ATOM 1018 OH TYR A 69 10.519 -10.649 0.527 1.00 0.00 O ATOM 0 H TYR A 69 10.613 -4.019 -2.352 1.00 0.00 H new ATOM 0 HA TYR A 69 11.878 -4.581 0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 69 12.771 -5.791 -2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 69 13.785 -5.711 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 69 13.263 -7.098 0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.906 -7.369 -2.547 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.300 -9.207 1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.936 -9.475 -1.741 1.00 0.00 H new ATOM 0 HH TYR A 69 9.774 -10.910 -0.054 1.00 0.00 H new ATOM 1028 N CYS A 70 13.207 -2.550 -0.190 1.00 0.00 N ATOM 1029 CA CYS A 70 13.972 -1.325 -0.389 1.00 0.00 C ATOM 1030 C CYS A 70 15.154 -1.568 -1.323 1.00 0.00 C ATOM 1031 O CYS A 70 15.611 -2.697 -1.506 1.00 0.00 O ATOM 1032 CB CYS A 70 14.470 -0.785 0.953 1.00 0.00 C ATOM 1033 SG CYS A 70 15.254 -2.041 2.014 1.00 0.00 S ATOM 0 H CYS A 70 13.036 -2.786 0.788 1.00 0.00 H new ATOM 0 HA CYS A 70 13.315 -0.586 -0.848 1.00 0.00 H new ATOM 0 HB2 CYS A 70 15.185 0.016 0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.630 -0.344 1.490 1.00 0.00 H new ATOM 1038 N PRO A 71 15.663 -0.484 -1.928 1.00 0.00 N ATOM 1039 CA PRO A 71 16.799 -0.553 -2.851 1.00 0.00 C ATOM 1040 C PRO A 71 17.953 -1.379 -2.291 1.00 0.00 C ATOM 1041 O PRO A 71 18.619 -2.109 -3.024 1.00 0.00 O ATOM 1042 CB PRO A 71 17.217 0.911 -3.011 1.00 0.00 C ATOM 1043 CG PRO A 71 15.978 1.690 -2.731 1.00 0.00 C ATOM 1044 CD PRO A 71 15.169 0.892 -1.755 1.00 0.00 C ATOM 0 HA PRO A 71 16.532 -1.039 -3.789 1.00 0.00 H new ATOM 0 HB2 PRO A 71 18.015 1.173 -2.317 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.591 1.109 -4.016 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.223 2.669 -2.319 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.415 1.862 -3.648 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.315 1.243 -0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.102 0.963 -1.968 1.00 0.00 H new ATOM 1052 N ASP A 72 18.182 -1.257 -0.988 1.00 0.00 N ATOM 1053 CA ASP A 72 19.255 -1.994 -0.329 1.00 0.00 C ATOM 1054 C ASP A 72 18.980 -3.494 -0.355 1.00 0.00 C ATOM 1055 O ASP A 72 19.691 -4.255 -1.011 1.00 0.00 O ATOM 1056 CB ASP A 72 19.417 -1.517 1.115 1.00 0.00 C ATOM 1057 CG ASP A 72 20.784 -1.842 1.682 1.00 0.00 C ATOM 1058 OD1 ASP A 72 21.020 -3.020 2.023 1.00 0.00 O ATOM 1059 OD2 ASP A 72 21.619 -0.919 1.786 1.00 0.00 O ATOM 0 H ASP A 72 17.640 -0.656 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 72 20.181 -1.804 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 72 19.255 -0.440 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 72 18.650 -1.980 1.736 1.00 0.00 H new ATOM 1064 N CYS A 73 17.943 -3.913 0.364 1.00 0.00 N ATOM 1065 CA CYS A 73 17.574 -5.322 0.425 1.00 0.00 C ATOM 1066 C CYS A 73 17.430 -5.908 -0.976 1.00 0.00 C ATOM 1067 O CYS A 73 17.795 -7.057 -1.220 1.00 0.00 O ATOM 1068 CB CYS A 73 16.266 -5.494 1.200 1.00 0.00 C ATOM 1069 SG CYS A 73 16.467 -5.484 3.010 1.00 0.00 S ATOM 0 H CYS A 73 17.344 -3.296 0.912 1.00 0.00 H new ATOM 0 HA CYS A 73 18.369 -5.859 0.943 1.00 0.00 H new ATOM 0 HB2 CYS A 73 15.581 -4.695 0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.801 -6.434 0.902 1.00 0.00 H new ATOM 1074 N ALA A 74 16.894 -5.109 -1.893 1.00 0.00 N ATOM 1075 CA ALA A 74 16.703 -5.547 -3.270 1.00 0.00 C ATOM 1076 C ALA A 74 18.006 -6.068 -3.866 1.00 0.00 C ATOM 1077 O ALA A 74 18.002 -6.976 -4.698 1.00 0.00 O ATOM 1078 CB ALA A 74 16.153 -4.407 -4.115 1.00 0.00 C ATOM 0 H ALA A 74 16.584 -4.155 -1.707 1.00 0.00 H new ATOM 0 HA ALA A 74 15.982 -6.364 -3.268 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.015 -4.748 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.195 -4.082 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 74 16.854 -3.573 -4.101 1.00 0.00 H new ATOM 1084 N LYS A 75 19.122 -5.488 -3.437 1.00 0.00 N ATOM 1085 CA LYS A 75 20.434 -5.894 -3.927 1.00 0.00 C ATOM 1086 C LYS A 75 20.729 -7.344 -3.553 1.00 0.00 C ATOM 1087 O LYS A 75 21.441 -8.047 -4.270 1.00 0.00 O ATOM 1088 CB LYS A 75 21.520 -4.978 -3.358 1.00 0.00 C ATOM 1089 CG LYS A 75 21.307 -3.510 -3.681 1.00 0.00 C ATOM 1090 CD LYS A 75 22.628 -2.765 -3.785 1.00 0.00 C ATOM 1091 CE LYS A 75 23.352 -2.725 -2.449 1.00 0.00 C ATOM 1092 NZ LYS A 75 24.557 -1.851 -2.497 1.00 0.00 N ATOM 0 H LYS A 75 19.144 -4.734 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 75 20.430 -5.811 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 75 21.558 -5.102 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 75 22.489 -5.291 -3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 75 20.762 -3.418 -4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.690 -3.052 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.262 -3.248 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.447 -1.748 -4.132 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.672 -2.363 -1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.647 -3.735 -2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.023 -1.850 -1.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 25.218 -2.210 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.273 -0.881 -2.742 1.00 0.00 H new ATOM 1106 N LYS A 76 20.177 -7.784 -2.428 1.00 0.00 N ATOM 1107 CA LYS A 76 20.379 -9.150 -1.960 1.00 0.00 C ATOM 1108 C LYS A 76 19.551 -10.134 -2.781 1.00 0.00 C ATOM 1109 O LYS A 76 19.900 -11.310 -2.896 1.00 0.00 O ATOM 1110 CB LYS A 76 20.006 -9.265 -0.480 1.00 0.00 C ATOM 1111 CG LYS A 76 20.657 -8.207 0.394 1.00 0.00 C ATOM 1112 CD LYS A 76 20.093 -8.226 1.805 1.00 0.00 C ATOM 1113 CE LYS A 76 20.810 -7.231 2.705 1.00 0.00 C ATOM 1114 NZ LYS A 76 20.517 -7.473 4.144 1.00 0.00 N ATOM 0 H LYS A 76 19.586 -7.214 -1.823 1.00 0.00 H new ATOM 0 HA LYS A 76 21.433 -9.397 -2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.923 -9.191 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 76 20.293 -10.252 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 76 21.733 -8.375 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 76 20.502 -7.223 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.029 -7.991 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.187 -9.229 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 76 21.885 -7.299 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.509 -6.218 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.024 -6.774 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.494 -7.384 4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.828 -8.431 4.405 1.00 0.00 H new ATOM 1128 N LEU A 77 18.455 -9.647 -3.351 1.00 0.00 N ATOM 1129 CA LEU A 77 17.578 -10.483 -4.163 1.00 0.00 C ATOM 1130 C LEU A 77 18.210 -10.778 -5.519 1.00 0.00 C ATOM 1131 O LEU A 77 17.526 -10.798 -6.543 1.00 0.00 O ATOM 1132 CB LEU A 77 16.223 -9.799 -4.357 1.00 0.00 C ATOM 1133 CG LEU A 77 15.656 -9.076 -3.134 1.00 0.00 C ATOM 1134 CD1 LEU A 77 14.325 -8.422 -3.472 1.00 0.00 C ATOM 1135 CD2 LEU A 77 15.497 -10.043 -1.970 1.00 0.00 C ATOM 0 H LEU A 77 18.152 -8.677 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 77 17.429 -11.427 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 77 16.315 -9.079 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 77 15.501 -10.551 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 77 16.357 -8.295 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.936 -7.912 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.468 -7.699 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 77 13.616 -9.185 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.093 -9.512 -1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.816 -10.845 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.468 -10.465 -1.713 1.00 0.00 H new TER 1147 LEU A 77 HETATM 1148 ZN ZN A 200 -2.760 -1.819 5.163 1.00 0.00 ZN HETATM 1149 ZN ZN A 300 14.884 -3.820 3.504 1.00 0.00 ZN