USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 435 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 63 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 67 GLN : amide:sc= 0.776 K(o=0.78,f=0.12) USER MOD Set 2.1: A 5 TYR OH : rot -39:sc= 0.275 USER MOD Set 2.2: A 57 LYS NZ :NH3+ -156:sc= 1.24 (180deg=-0.063) USER MOD Set 2.3: A 60 THR OG1 : rot -105:sc= 1.11 USER MOD Set 3.1: A 3 ASN : amide:sc= 1.22 K(o=1.2,f=-2.5!) USER MOD Set 3.2: A 43 TYR OH : rot 130:sc= -0.012 USER MOD Set 4.1: A 28 LYS NZ :NH3+ -160:sc= 1.17 (180deg=0.912) USER MOD Set 4.2: A 31 TYR OH : rot 180:sc= -0.0302 USER MOD Set 5.1: A 23 ASN : amide:sc= 0.821 K(o=2.3,f=1.1) USER MOD Set 5.2: A 34 SER OG : rot 45:sc= 1.49 USER MOD Set 6.1: A 14 SER OG : rot -155:sc= 1.1 USER MOD Set 6.2: A 21 TYR OH : rot 30:sc= 0.948 USER MOD Single : A 1 LYS N :NH3+ -133:sc= 0.00677 (180deg=-0.119) USER MOD Single : A 1 LYS NZ :NH3+ -149:sc= 0.666 (180deg=-2.82!) USER MOD Single : A 2 LYS NZ :NH3+ -174:sc= -0.135 (180deg=-0.247) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.546) USER MOD Single : A 19 ASN : amide:sc= 0.249 K(o=0.25,f=-6.4!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 3:sc= 1.12 USER MOD Single : A 33 THR OG1 : rot -22:sc= 0.452 USER MOD Single : A 36 TYR OH : rot 163:sc= 0.415 USER MOD Single : A 41 SER OG : rot -23:sc= 0.562 USER MOD Single : A 51 LYS NZ :NH3+ -119:sc= 3.45 (180deg=-3.04) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 171:sc= 1.16 (180deg=0.00922) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 7.545 -0.114 -9.482 1.00 0.00 N ATOM 2 CA LYS A 1 8.640 0.544 -8.788 1.00 0.00 C ATOM 3 C LYS A 1 8.146 1.835 -8.136 1.00 0.00 C ATOM 4 O LYS A 1 8.816 2.866 -8.170 1.00 0.00 O ATOM 5 CB LYS A 1 9.762 0.816 -9.790 1.00 0.00 C ATOM 6 CG LYS A 1 10.139 -0.424 -10.619 1.00 0.00 C ATOM 7 CD LYS A 1 11.471 -0.239 -11.362 1.00 0.00 C ATOM 8 CE LYS A 1 12.670 -0.565 -10.453 1.00 0.00 C ATOM 9 NZ LYS A 1 12.915 -2.018 -10.335 1.00 0.00 N ATOM 0 H1 LYS A 1 7.537 -1.125 -9.238 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.643 0.319 -9.197 1.00 0.00 H new ATOM 0 H3 LYS A 1 7.671 -0.007 -10.509 1.00 0.00 H new ATOM 0 HA LYS A 1 9.025 -0.097 -7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.455 1.617 -10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 1 10.643 1.170 -9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 1 10.208 -1.291 -9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 1 9.348 -0.632 -11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 1 11.492 -0.884 -12.240 1.00 0.00 H new ATOM 0 HD3 LYS A 1 11.551 0.788 -11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 1 13.563 -0.081 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 1 12.493 -0.148 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 13.315 -2.228 -9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 12.018 -2.532 -10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 13.584 -2.318 -11.072 1.00 0.00 H new ATOM 19 N LYS A 2 6.940 1.777 -7.576 1.00 0.00 N ATOM 20 CA LYS A 2 6.146 2.950 -7.250 1.00 0.00 C ATOM 21 C LYS A 2 5.338 2.676 -5.994 1.00 0.00 C ATOM 22 O LYS A 2 4.721 1.624 -5.910 1.00 0.00 O ATOM 23 CB LYS A 2 5.210 3.227 -8.433 1.00 0.00 C ATOM 24 CG LYS A 2 4.331 2.007 -8.799 1.00 0.00 C ATOM 25 CD LYS A 2 2.876 2.117 -8.324 1.00 0.00 C ATOM 26 CE LYS A 2 1.969 2.775 -9.368 1.00 0.00 C ATOM 27 NZ LYS A 2 2.447 4.120 -9.736 1.00 0.00 N ATOM 0 H LYS A 2 6.483 0.898 -7.334 1.00 0.00 H new ATOM 0 HA LYS A 2 6.785 3.815 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.567 4.073 -8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.804 3.515 -9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.340 1.878 -9.881 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.776 1.110 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.496 1.122 -8.092 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.841 2.695 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.925 2.148 -10.259 1.00 0.00 H new ATOM 0 HE3 LYS A 2 0.954 2.844 -8.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.755 4.574 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.562 4.695 -8.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.361 4.042 -10.225 1.00 0.00 H new ATOM 37 N ASN A 3 5.288 3.597 -5.033 1.00 0.00 N ATOM 38 CA ASN A 3 4.309 3.505 -3.963 1.00 0.00 C ATOM 39 C ASN A 3 2.906 3.508 -4.550 1.00 0.00 C ATOM 40 O ASN A 3 2.614 4.217 -5.513 1.00 0.00 O ATOM 41 CB ASN A 3 4.493 4.636 -2.947 1.00 0.00 C ATOM 42 CG ASN A 3 4.547 6.044 -3.522 1.00 0.00 C ATOM 43 OD1 ASN A 3 5.137 6.286 -4.573 1.00 0.00 O ATOM 44 ND2 ASN A 3 3.992 6.971 -2.761 1.00 0.00 N ATOM 0 H ASN A 3 5.908 4.405 -4.977 1.00 0.00 H new ATOM 0 HA ASN A 3 4.459 2.567 -3.428 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.675 4.589 -2.228 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.414 4.455 -2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.040 7.952 -3.036 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.516 6.705 -1.899 1.00 0.00 H new ATOM 50 N GLY A 4 2.065 2.643 -3.996 1.00 0.00 N ATOM 51 CA GLY A 4 0.835 2.212 -4.630 1.00 0.00 C ATOM 52 C GLY A 4 0.127 1.245 -3.698 1.00 0.00 C ATOM 53 O GLY A 4 0.679 0.843 -2.671 1.00 0.00 O ATOM 0 H GLY A 4 2.224 2.219 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.197 3.070 -4.842 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.049 1.731 -5.584 1.00 0.00 H new ATOM 57 N TYR A 5 -1.120 0.926 -4.036 1.00 0.00 N ATOM 58 CA TYR A 5 -2.006 0.161 -3.180 1.00 0.00 C ATOM 59 C TYR A 5 -1.961 -1.306 -3.590 1.00 0.00 C ATOM 60 O TYR A 5 -2.564 -1.667 -4.597 1.00 0.00 O ATOM 61 CB TYR A 5 -3.418 0.748 -3.261 1.00 0.00 C ATOM 62 CG TYR A 5 -3.766 1.930 -2.371 1.00 0.00 C ATOM 63 CD1 TYR A 5 -2.810 2.908 -2.049 1.00 0.00 C ATOM 64 CD2 TYR A 5 -5.117 2.163 -2.054 1.00 0.00 C ATOM 65 CE1 TYR A 5 -3.177 4.045 -1.311 1.00 0.00 C ATOM 66 CE2 TYR A 5 -5.490 3.314 -1.339 1.00 0.00 C ATOM 67 CZ TYR A 5 -4.516 4.233 -0.930 1.00 0.00 C ATOM 68 OH TYR A 5 -4.880 5.305 -0.170 1.00 0.00 O ATOM 0 H TYR A 5 -1.543 1.197 -4.924 1.00 0.00 H new ATOM 0 HA TYR A 5 -1.685 0.220 -2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.593 1.049 -4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.123 -0.053 -3.038 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.787 2.785 -2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -5.871 1.454 -2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.430 4.775 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.529 3.490 -1.105 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.192 5.475 0.507 1.00 0.00 H new ATOM 77 N ALA A 6 -1.229 -2.139 -2.844 1.00 0.00 N ATOM 78 CA ALA A 6 -0.952 -3.506 -3.277 1.00 0.00 C ATOM 79 C ALA A 6 -2.157 -4.403 -3.011 1.00 0.00 C ATOM 80 O ALA A 6 -2.761 -4.306 -1.943 1.00 0.00 O ATOM 81 CB ALA A 6 0.287 -4.051 -2.569 1.00 0.00 C ATOM 0 H ALA A 6 -0.821 -1.890 -1.943 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.759 -3.496 -4.350 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.478 -5.071 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 6 1.147 -3.424 -2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.121 -4.048 -1.492 1.00 0.00 H new ATOM 87 N VAL A 7 -2.493 -5.276 -3.967 1.00 0.00 N ATOM 88 CA VAL A 7 -3.608 -6.203 -3.838 1.00 0.00 C ATOM 89 C VAL A 7 -3.108 -7.616 -3.556 1.00 0.00 C ATOM 90 O VAL A 7 -2.070 -8.015 -4.078 1.00 0.00 O ATOM 91 CB VAL A 7 -4.523 -6.172 -5.080 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.059 -4.748 -5.266 1.00 0.00 C ATOM 93 CG2 VAL A 7 -3.892 -6.642 -6.393 1.00 0.00 C ATOM 0 H VAL A 7 -1.993 -5.355 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.209 -5.880 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.311 -6.895 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.707 -4.715 -6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.627 -4.455 -4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.225 -4.061 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.628 -6.576 -7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.037 -6.010 -6.633 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.561 -7.675 -6.288 1.00 0.00 H new ATOM 103 N ASP A 8 -3.910 -8.356 -2.781 1.00 0.00 N ATOM 104 CA ASP A 8 -4.043 -9.809 -2.749 1.00 0.00 C ATOM 105 C ASP A 8 -3.063 -10.548 -3.661 1.00 0.00 C ATOM 106 O ASP A 8 -2.067 -11.120 -3.219 1.00 0.00 O ATOM 107 CB ASP A 8 -5.493 -10.086 -3.187 1.00 0.00 C ATOM 108 CG ASP A 8 -5.822 -11.532 -3.492 1.00 0.00 C ATOM 109 OD1 ASP A 8 -5.803 -12.365 -2.562 1.00 0.00 O ATOM 110 OD2 ASP A 8 -6.220 -11.771 -4.648 1.00 0.00 O ATOM 0 H ASP A 8 -4.532 -7.912 -2.106 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.811 -10.177 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.163 -9.738 -2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.705 -9.489 -4.074 1.00 0.00 H new ATOM 114 N SER A 9 -3.430 -10.540 -4.934 1.00 0.00 N ATOM 115 CA SER A 9 -2.960 -11.329 -6.050 1.00 0.00 C ATOM 116 C SER A 9 -3.855 -10.918 -7.222 1.00 0.00 C ATOM 117 O SER A 9 -3.373 -10.595 -8.303 1.00 0.00 O ATOM 118 CB SER A 9 -3.133 -12.817 -5.725 1.00 0.00 C ATOM 119 OG SER A 9 -2.375 -13.621 -6.607 1.00 0.00 O ATOM 0 H SER A 9 -4.158 -9.895 -5.241 1.00 0.00 H new ATOM 0 HA SER A 9 -1.906 -11.168 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.823 -13.007 -4.697 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.186 -13.088 -5.795 1.00 0.00 H new ATOM 0 HG SER A 9 -2.501 -14.566 -6.378 1.00 0.00 H new ATOM 124 N SER A 10 -5.168 -10.884 -6.960 1.00 0.00 N ATOM 125 CA SER A 10 -6.186 -10.449 -7.899 1.00 0.00 C ATOM 126 C SER A 10 -6.528 -8.979 -7.643 1.00 0.00 C ATOM 127 O SER A 10 -6.474 -8.166 -8.562 1.00 0.00 O ATOM 128 CB SER A 10 -7.409 -11.367 -7.750 1.00 0.00 C ATOM 129 OG SER A 10 -8.425 -11.026 -8.672 1.00 0.00 O ATOM 0 H SER A 10 -5.553 -11.169 -6.059 1.00 0.00 H new ATOM 0 HA SER A 10 -5.827 -10.520 -8.926 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.109 -12.403 -7.904 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.798 -11.295 -6.734 1.00 0.00 H new ATOM 0 HG SER A 10 -9.189 -11.628 -8.554 1.00 0.00 H new ATOM 134 N GLY A 11 -6.899 -8.638 -6.401 1.00 0.00 N ATOM 135 CA GLY A 11 -7.532 -7.363 -6.105 1.00 0.00 C ATOM 136 C GLY A 11 -8.415 -7.431 -4.861 1.00 0.00 C ATOM 137 O GLY A 11 -9.638 -7.370 -4.951 1.00 0.00 O ATOM 0 H GLY A 11 -6.767 -9.238 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.764 -6.603 -5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.134 -7.051 -6.959 1.00 0.00 H new ATOM 141 N LYS A 12 -7.783 -7.558 -3.694 1.00 0.00 N ATOM 142 CA LYS A 12 -8.387 -7.418 -2.375 1.00 0.00 C ATOM 143 C LYS A 12 -7.323 -6.678 -1.560 1.00 0.00 C ATOM 144 O LYS A 12 -6.138 -6.869 -1.841 1.00 0.00 O ATOM 145 CB LYS A 12 -8.692 -8.787 -1.730 1.00 0.00 C ATOM 146 CG LYS A 12 -9.063 -9.913 -2.714 1.00 0.00 C ATOM 147 CD LYS A 12 -8.960 -11.281 -2.022 1.00 0.00 C ATOM 148 CE LYS A 12 -9.057 -12.434 -3.039 1.00 0.00 C ATOM 149 NZ LYS A 12 -8.163 -13.559 -2.687 1.00 0.00 N ATOM 0 H LYS A 12 -6.787 -7.772 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.342 -6.895 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.820 -9.102 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.511 -8.662 -1.022 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.076 -9.761 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.399 -9.884 -3.578 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.015 -11.348 -1.483 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.756 -11.378 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.086 -12.790 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.801 -12.064 -4.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.953 -14.116 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.277 -13.187 -2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.630 -14.166 -1.983 1.00 0.00 H new ATOM 159 N VAL A 13 -7.710 -5.844 -0.592 1.00 0.00 N ATOM 160 CA VAL A 13 -6.774 -5.068 0.214 1.00 0.00 C ATOM 161 C VAL A 13 -7.130 -5.225 1.691 1.00 0.00 C ATOM 162 O VAL A 13 -8.296 -5.427 2.026 1.00 0.00 O ATOM 163 CB VAL A 13 -6.784 -3.586 -0.211 1.00 0.00 C ATOM 164 CG1 VAL A 13 -6.319 -3.424 -1.663 1.00 0.00 C ATOM 165 CG2 VAL A 13 -8.156 -2.917 -0.042 1.00 0.00 C ATOM 0 H VAL A 13 -8.688 -5.690 -0.347 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.763 -5.443 0.055 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.087 -3.084 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.336 -2.369 -1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.304 -3.808 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.986 -3.980 -2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.095 -1.876 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.893 -3.439 -0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.456 -2.961 1.005 1.00 0.00 H new ATOM 175 N SER A 14 -6.131 -5.113 2.571 1.00 0.00 N ATOM 176 CA SER A 14 -6.380 -4.966 3.997 1.00 0.00 C ATOM 177 C SER A 14 -6.743 -3.506 4.261 1.00 0.00 C ATOM 178 O SER A 14 -5.929 -2.632 3.975 1.00 0.00 O ATOM 179 CB SER A 14 -5.128 -5.346 4.793 1.00 0.00 C ATOM 180 OG SER A 14 -4.740 -6.680 4.527 1.00 0.00 O ATOM 0 H SER A 14 -5.144 -5.122 2.315 1.00 0.00 H new ATOM 0 HA SER A 14 -7.193 -5.622 4.308 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.312 -4.669 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.321 -5.226 5.859 1.00 0.00 H new ATOM 0 HG SER A 14 -4.229 -7.030 5.286 1.00 0.00 H new ATOM 185 N GLU A 15 -7.939 -3.248 4.791 1.00 0.00 N ATOM 186 CA GLU A 15 -8.353 -1.930 5.234 1.00 0.00 C ATOM 187 C GLU A 15 -7.453 -1.506 6.402 1.00 0.00 C ATOM 188 O GLU A 15 -6.601 -0.637 6.247 1.00 0.00 O ATOM 189 CB GLU A 15 -9.845 -2.012 5.591 1.00 0.00 C ATOM 190 CG GLU A 15 -10.426 -0.638 5.903 1.00 0.00 C ATOM 191 CD GLU A 15 -11.903 -0.727 6.258 1.00 0.00 C ATOM 192 OE1 GLU A 15 -12.214 -1.534 7.161 1.00 0.00 O ATOM 193 OE2 GLU A 15 -12.689 -0.002 5.612 1.00 0.00 O ATOM 0 H GLU A 15 -8.653 -3.964 4.924 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.242 -1.165 4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.394 -2.459 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.978 -2.667 6.452 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.878 -0.189 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.296 0.018 5.042 1.00 0.00 H new ATOM 198 N CYS A 16 -7.616 -2.215 7.526 1.00 0.00 N ATOM 199 CA CYS A 16 -6.709 -2.305 8.669 1.00 0.00 C ATOM 200 C CYS A 16 -6.356 -0.988 9.365 1.00 0.00 C ATOM 201 O CYS A 16 -6.785 0.093 8.976 1.00 0.00 O ATOM 202 CB CYS A 16 -5.478 -3.157 8.318 1.00 0.00 C ATOM 203 SG CYS A 16 -4.212 -2.470 7.215 1.00 0.00 S ATOM 0 H CYS A 16 -8.451 -2.783 7.667 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.281 -2.817 9.443 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -4.987 -3.426 9.253 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -5.837 -4.083 7.869 1.00 0.00 H new ATOM 207 N LEU A 17 -5.608 -1.108 10.469 1.00 0.00 N ATOM 208 CA LEU A 17 -5.112 -0.015 11.280 1.00 0.00 C ATOM 209 C LEU A 17 -3.590 -0.123 11.471 1.00 0.00 C ATOM 210 O LEU A 17 -2.874 0.864 11.319 1.00 0.00 O ATOM 211 CB LEU A 17 -5.847 0.009 12.630 1.00 0.00 C ATOM 212 CG LEU A 17 -6.131 -1.355 13.293 1.00 0.00 C ATOM 213 CD1 LEU A 17 -6.063 -1.209 14.817 1.00 0.00 C ATOM 214 CD2 LEU A 17 -7.520 -1.890 12.919 1.00 0.00 C ATOM 0 H LEU A 17 -5.324 -2.019 10.829 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.309 0.926 10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.260 0.609 13.325 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.798 0.523 12.490 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.378 -2.057 12.936 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.264 -2.173 15.284 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.070 -0.866 15.106 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.807 -0.484 15.147 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.682 -2.852 13.405 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.283 -1.184 13.248 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.583 -2.015 11.838 1.00 0.00 H new ATOM 225 N LEU A 18 -3.081 -1.309 11.828 1.00 0.00 N ATOM 226 CA LEU A 18 -1.683 -1.480 12.193 1.00 0.00 C ATOM 227 C LEU A 18 -0.747 -1.265 11.001 1.00 0.00 C ATOM 228 O LEU A 18 -0.758 -2.018 10.029 1.00 0.00 O ATOM 229 CB LEU A 18 -1.460 -2.863 12.804 1.00 0.00 C ATOM 230 CG LEU A 18 -2.185 -3.076 14.141 1.00 0.00 C ATOM 231 CD1 LEU A 18 -1.875 -4.502 14.593 1.00 0.00 C ATOM 232 CD2 LEU A 18 -1.724 -2.100 15.230 1.00 0.00 C ATOM 0 H LEU A 18 -3.629 -2.168 11.870 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.443 -0.718 12.935 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.795 -3.621 12.096 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.391 -3.016 12.953 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.251 -2.903 13.993 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.372 -4.699 15.543 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.234 -5.207 13.843 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.798 -4.619 14.715 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.271 -2.298 16.152 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.656 -2.230 15.407 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.917 -1.077 14.907 1.00 0.00 H new ATOM 243 N ASN A 19 0.113 -0.257 11.115 1.00 0.00 N ATOM 244 CA ASN A 19 1.075 0.100 10.082 1.00 0.00 C ATOM 245 C ASN A 19 2.094 -1.019 9.870 1.00 0.00 C ATOM 246 O ASN A 19 2.305 -1.466 8.742 1.00 0.00 O ATOM 247 CB ASN A 19 1.748 1.452 10.393 1.00 0.00 C ATOM 248 CG ASN A 19 2.446 1.535 11.747 1.00 0.00 C ATOM 249 OD1 ASN A 19 2.278 0.676 12.609 1.00 0.00 O ATOM 250 ND2 ASN A 19 3.215 2.595 11.956 1.00 0.00 N ATOM 0 H ASN A 19 0.160 0.342 11.939 1.00 0.00 H new ATOM 0 HA ASN A 19 0.537 0.222 9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.478 1.664 9.612 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.992 2.236 10.343 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.687 2.714 12.853 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.335 3.291 11.220 1.00 0.00 H new ATOM 256 N ASN A 20 2.706 -1.476 10.965 1.00 0.00 N ATOM 257 CA ASN A 20 3.715 -2.525 10.951 1.00 0.00 C ATOM 258 C ASN A 20 3.207 -3.751 10.201 1.00 0.00 C ATOM 259 O ASN A 20 3.914 -4.273 9.348 1.00 0.00 O ATOM 260 CB ASN A 20 4.123 -2.894 12.378 1.00 0.00 C ATOM 261 CG ASN A 20 5.105 -4.063 12.365 1.00 0.00 C ATOM 262 OD1 ASN A 20 6.289 -3.882 12.105 1.00 0.00 O ATOM 263 ND2 ASN A 20 4.626 -5.278 12.629 1.00 0.00 N ATOM 0 H ASN A 20 2.507 -1.118 11.899 1.00 0.00 H new ATOM 0 HA ASN A 20 4.595 -2.149 10.429 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.579 -2.033 12.867 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.239 -3.159 12.959 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.249 -6.085 12.618 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.636 -5.401 12.842 1.00 0.00 H new ATOM 269 N TYR A 21 1.984 -4.194 10.511 1.00 0.00 N ATOM 270 CA TYR A 21 1.332 -5.294 9.811 1.00 0.00 C ATOM 271 C TYR A 21 1.432 -5.090 8.297 1.00 0.00 C ATOM 272 O TYR A 21 2.009 -5.919 7.595 1.00 0.00 O ATOM 273 CB TYR A 21 -0.129 -5.410 10.277 1.00 0.00 C ATOM 274 CG TYR A 21 -1.054 -6.143 9.320 1.00 0.00 C ATOM 275 CD1 TYR A 21 -1.024 -7.546 9.234 1.00 0.00 C ATOM 276 CD2 TYR A 21 -1.866 -5.408 8.432 1.00 0.00 C ATOM 277 CE1 TYR A 21 -1.801 -8.208 8.266 1.00 0.00 C ATOM 278 CE2 TYR A 21 -2.594 -6.067 7.430 1.00 0.00 C ATOM 279 CZ TYR A 21 -2.570 -7.469 7.350 1.00 0.00 C ATOM 280 OH TYR A 21 -3.269 -8.120 6.378 1.00 0.00 O ATOM 0 H TYR A 21 1.419 -3.794 11.260 1.00 0.00 H new ATOM 0 HA TYR A 21 1.836 -6.231 10.048 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.148 -5.922 11.239 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.522 -4.407 10.441 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.405 -8.115 9.911 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.928 -4.334 8.524 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.807 -9.287 8.226 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.173 -5.496 6.720 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.530 -9.007 6.702 1.00 0.00 H new ATOM 289 N CYS A 22 0.867 -3.991 7.795 1.00 0.00 N ATOM 290 CA CYS A 22 0.777 -3.773 6.359 1.00 0.00 C ATOM 291 C CYS A 22 2.171 -3.738 5.745 1.00 0.00 C ATOM 292 O CYS A 22 2.418 -4.416 4.753 1.00 0.00 O ATOM 293 CB CYS A 22 -0.024 -2.507 6.045 1.00 0.00 C ATOM 294 SG CYS A 22 -1.570 -2.804 5.167 1.00 0.00 S ATOM 0 H CYS A 22 0.468 -3.243 8.363 1.00 0.00 H new ATOM 0 HA CYS A 22 0.237 -4.606 5.908 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.244 -1.990 6.979 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.596 -1.838 5.448 1.00 0.00 H new ATOM 298 N ASN A 23 3.096 -2.983 6.349 1.00 0.00 N ATOM 299 CA ASN A 23 4.486 -2.957 5.958 1.00 0.00 C ATOM 300 C ASN A 23 5.071 -4.361 5.825 1.00 0.00 C ATOM 301 O ASN A 23 5.566 -4.731 4.760 1.00 0.00 O ATOM 302 CB ASN A 23 5.225 -2.179 7.051 1.00 0.00 C ATOM 303 CG ASN A 23 6.488 -1.563 6.508 1.00 0.00 C ATOM 304 OD1 ASN A 23 7.501 -2.228 6.333 1.00 0.00 O ATOM 305 ND2 ASN A 23 6.405 -0.272 6.232 1.00 0.00 N ATOM 0 H ASN A 23 2.883 -2.368 7.134 1.00 0.00 H new ATOM 0 HA ASN A 23 4.592 -2.488 4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.577 -1.399 7.450 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.467 -2.846 7.878 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.213 0.221 5.852 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.533 0.230 6.399 1.00 0.00 H new ATOM 311 N ASN A 24 5.007 -5.142 6.908 1.00 0.00 N ATOM 312 CA ASN A 24 5.547 -6.475 7.006 1.00 0.00 C ATOM 313 C ASN A 24 5.053 -7.359 5.874 1.00 0.00 C ATOM 314 O ASN A 24 5.849 -7.957 5.156 1.00 0.00 O ATOM 315 CB ASN A 24 5.147 -7.053 8.364 1.00 0.00 C ATOM 316 CG ASN A 24 6.128 -8.135 8.740 1.00 0.00 C ATOM 317 OD1 ASN A 24 5.871 -9.324 8.600 1.00 0.00 O ATOM 318 ND2 ASN A 24 7.286 -7.689 9.208 1.00 0.00 N ATOM 0 H ASN A 24 4.555 -4.837 7.770 1.00 0.00 H new ATOM 0 HA ASN A 24 6.633 -6.435 6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.142 -6.269 9.121 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.136 -7.459 8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 24 8.017 -8.349 9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.445 -6.686 9.304 1.00 0.00 H new ATOM 324 N ILE A 25 3.731 -7.420 5.690 1.00 0.00 N ATOM 325 CA ILE A 25 3.125 -8.172 4.611 1.00 0.00 C ATOM 326 C ILE A 25 3.689 -7.682 3.287 1.00 0.00 C ATOM 327 O ILE A 25 4.011 -8.485 2.418 1.00 0.00 O ATOM 328 CB ILE A 25 1.602 -7.972 4.662 1.00 0.00 C ATOM 329 CG1 ILE A 25 1.018 -8.489 5.983 1.00 0.00 C ATOM 330 CG2 ILE A 25 0.892 -8.595 3.458 1.00 0.00 C ATOM 331 CD1 ILE A 25 0.854 -10.009 6.064 1.00 0.00 C ATOM 0 H ILE A 25 3.058 -6.945 6.292 1.00 0.00 H new ATOM 0 HA ILE A 25 3.345 -9.235 4.712 1.00 0.00 H new ATOM 0 HB ILE A 25 1.422 -6.898 4.611 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.662 -8.164 6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.045 -8.024 6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.182 -8.426 3.541 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.261 -8.137 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.090 -9.667 3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.435 -10.279 7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.184 -10.345 5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 25 1.826 -10.487 5.944 1.00 0.00 H new ATOM 342 N CYS A 26 3.800 -6.364 3.120 1.00 0.00 N ATOM 343 CA CYS A 26 4.183 -5.825 1.823 1.00 0.00 C ATOM 344 C CYS A 26 5.598 -6.190 1.412 1.00 0.00 C ATOM 345 O CYS A 26 5.836 -6.564 0.265 1.00 0.00 O ATOM 346 CB CYS A 26 3.857 -4.341 1.631 1.00 0.00 C ATOM 347 SG CYS A 26 3.290 -4.158 -0.077 1.00 0.00 S ATOM 0 H CYS A 26 3.634 -5.669 3.848 1.00 0.00 H new ATOM 0 HA CYS A 26 3.531 -6.337 1.116 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.087 -4.019 2.332 1.00 0.00 H new ATOM 0 HB3 CYS A 26 4.736 -3.723 1.817 1.00 0.00 H new ATOM 351 N THR A 27 6.539 -6.130 2.348 1.00 0.00 N ATOM 352 CA THR A 27 7.879 -6.645 2.085 1.00 0.00 C ATOM 353 C THR A 27 7.859 -8.171 1.909 1.00 0.00 C ATOM 354 O THR A 27 8.540 -8.699 1.034 1.00 0.00 O ATOM 355 CB THR A 27 8.899 -6.126 3.114 1.00 0.00 C ATOM 356 OG1 THR A 27 10.198 -6.572 2.785 1.00 0.00 O ATOM 357 CG2 THR A 27 8.593 -6.547 4.547 1.00 0.00 C ATOM 0 H THR A 27 6.404 -5.737 3.280 1.00 0.00 H new ATOM 0 HA THR A 27 8.228 -6.251 1.131 1.00 0.00 H new ATOM 0 HB THR A 27 8.833 -5.039 3.069 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.837 -6.234 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.354 -6.144 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.615 -6.163 4.838 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.590 -7.635 4.614 1.00 0.00 H new ATOM 365 N LYS A 28 7.059 -8.906 2.693 1.00 0.00 N ATOM 366 CA LYS A 28 7.077 -10.353 2.655 1.00 0.00 C ATOM 367 C LYS A 28 6.577 -10.862 1.301 1.00 0.00 C ATOM 368 O LYS A 28 7.244 -11.677 0.670 1.00 0.00 O ATOM 369 CB LYS A 28 6.267 -10.911 3.841 1.00 0.00 C ATOM 370 CG LYS A 28 6.654 -12.354 4.203 1.00 0.00 C ATOM 371 CD LYS A 28 6.051 -13.375 3.225 1.00 0.00 C ATOM 372 CE LYS A 28 7.049 -14.413 2.681 1.00 0.00 C ATOM 373 NZ LYS A 28 8.135 -13.821 1.866 1.00 0.00 N ATOM 0 H LYS A 28 6.395 -8.511 3.358 1.00 0.00 H new ATOM 0 HA LYS A 28 8.100 -10.714 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.417 -10.271 4.710 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.205 -10.875 3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.740 -12.449 4.202 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.315 -12.577 5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.238 -13.901 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.613 -12.837 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.489 -14.955 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.509 -15.142 2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.559 -14.557 1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.746 -13.066 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.863 -13.425 2.494 1.00 0.00 H new ATOM 383 N VAL A 29 5.361 -10.498 0.905 1.00 0.00 N ATOM 384 CA VAL A 29 4.643 -11.070 -0.196 1.00 0.00 C ATOM 385 C VAL A 29 5.007 -10.316 -1.474 1.00 0.00 C ATOM 386 O VAL A 29 5.458 -10.911 -2.448 1.00 0.00 O ATOM 387 CB VAL A 29 3.157 -10.944 0.176 1.00 0.00 C ATOM 388 CG1 VAL A 29 2.303 -11.445 -0.969 1.00 0.00 C ATOM 389 CG2 VAL A 29 2.808 -11.750 1.437 1.00 0.00 C ATOM 0 H VAL A 29 4.837 -9.760 1.375 1.00 0.00 H new ATOM 0 HA VAL A 29 4.887 -12.116 -0.382 1.00 0.00 H new ATOM 0 HB VAL A 29 2.960 -9.891 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.250 -11.355 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.505 -10.851 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.539 -12.490 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.748 -11.632 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.028 -12.804 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.400 -11.387 2.277 1.00 0.00 H new ATOM 399 N TYR A 30 4.760 -9.007 -1.477 1.00 0.00 N ATOM 400 CA TYR A 30 4.796 -8.177 -2.657 1.00 0.00 C ATOM 401 C TYR A 30 6.195 -7.635 -2.944 1.00 0.00 C ATOM 402 O TYR A 30 6.448 -7.229 -4.081 1.00 0.00 O ATOM 403 CB TYR A 30 3.790 -7.051 -2.424 1.00 0.00 C ATOM 404 CG TYR A 30 2.357 -7.524 -2.238 1.00 0.00 C ATOM 405 CD1 TYR A 30 1.768 -8.428 -3.141 1.00 0.00 C ATOM 406 CD2 TYR A 30 1.665 -7.180 -1.067 1.00 0.00 C ATOM 407 CE1 TYR A 30 0.549 -9.046 -2.819 1.00 0.00 C ATOM 408 CE2 TYR A 30 0.453 -7.792 -0.743 1.00 0.00 C ATOM 409 CZ TYR A 30 -0.096 -8.753 -1.604 1.00 0.00 C ATOM 410 OH TYR A 30 -1.178 -9.473 -1.202 1.00 0.00 O ATOM 0 H TYR A 30 4.524 -8.490 -0.630 1.00 0.00 H new ATOM 0 HA TYR A 30 4.534 -8.760 -3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.092 -6.486 -1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.827 -6.365 -3.270 1.00 0.00 H new ATOM 0 HD1 TYR A 30 2.253 -8.646 -4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.076 -6.431 -0.407 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.105 -9.750 -3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.061 -7.526 0.169 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.353 -10.189 -1.848 1.00 0.00 H new ATOM 419 N TYR A 31 7.066 -7.620 -1.930 1.00 0.00 N ATOM 420 CA TYR A 31 8.421 -7.090 -1.970 1.00 0.00 C ATOM 421 C TYR A 31 8.434 -5.584 -2.223 1.00 0.00 C ATOM 422 O TYR A 31 9.176 -5.075 -3.058 1.00 0.00 O ATOM 423 CB TYR A 31 9.360 -7.934 -2.817 1.00 0.00 C ATOM 424 CG TYR A 31 9.636 -9.305 -2.223 1.00 0.00 C ATOM 425 CD1 TYR A 31 8.772 -10.386 -2.481 1.00 0.00 C ATOM 426 CD2 TYR A 31 10.670 -9.453 -1.279 1.00 0.00 C ATOM 427 CE1 TYR A 31 8.930 -11.598 -1.787 1.00 0.00 C ATOM 428 CE2 TYR A 31 10.828 -10.666 -0.586 1.00 0.00 C ATOM 429 CZ TYR A 31 9.934 -11.725 -0.812 1.00 0.00 C ATOM 430 OH TYR A 31 10.056 -12.879 -0.086 1.00 0.00 O ATOM 0 H TYR A 31 6.826 -7.999 -1.014 1.00 0.00 H new ATOM 0 HA TYR A 31 8.857 -7.186 -0.976 1.00 0.00 H new ATOM 0 HB2 TYR A 31 8.930 -8.056 -3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 31 10.304 -7.402 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.986 -10.284 -3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 31 11.344 -8.632 -1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.279 -12.432 -2.003 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.637 -10.783 0.120 1.00 0.00 H new ATOM 0 HH TYR A 31 10.803 -12.793 0.542 1.00 0.00 H new ATOM 439 N ALA A 32 7.619 -4.873 -1.439 1.00 0.00 N ATOM 440 CA ALA A 32 7.689 -3.437 -1.267 1.00 0.00 C ATOM 441 C ALA A 32 8.692 -3.113 -0.152 1.00 0.00 C ATOM 442 O ALA A 32 8.886 -3.917 0.755 1.00 0.00 O ATOM 443 CB ALA A 32 6.285 -2.981 -0.896 1.00 0.00 C ATOM 0 H ALA A 32 6.872 -5.303 -0.894 1.00 0.00 H new ATOM 0 HA ALA A 32 8.025 -2.927 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.279 -1.900 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.593 -3.245 -1.696 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.976 -3.470 0.028 1.00 0.00 H new ATOM 449 N THR A 33 9.320 -1.938 -0.183 1.00 0.00 N ATOM 450 CA THR A 33 10.246 -1.496 0.851 1.00 0.00 C ATOM 451 C THR A 33 9.494 -1.087 2.119 1.00 0.00 C ATOM 452 O THR A 33 10.021 -1.198 3.226 1.00 0.00 O ATOM 453 CB THR A 33 11.108 -0.342 0.321 1.00 0.00 C ATOM 454 OG1 THR A 33 10.300 0.757 -0.054 1.00 0.00 O ATOM 455 CG2 THR A 33 11.908 -0.794 -0.902 1.00 0.00 C ATOM 0 H THR A 33 9.197 -1.261 -0.936 1.00 0.00 H new ATOM 0 HA THR A 33 10.902 -2.326 1.113 1.00 0.00 H new ATOM 0 HB THR A 33 11.786 -0.041 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.387 0.447 -0.231 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.514 0.035 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.557 -1.625 -0.625 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.223 -1.115 -1.687 1.00 0.00 H new ATOM 463 N SER A 34 8.264 -0.588 1.968 1.00 0.00 N ATOM 464 CA SER A 34 7.413 -0.257 3.106 1.00 0.00 C ATOM 465 C SER A 34 5.936 -0.257 2.707 1.00 0.00 C ATOM 466 O SER A 34 5.606 -0.799 1.658 1.00 0.00 O ATOM 467 CB SER A 34 7.911 1.047 3.754 1.00 0.00 C ATOM 468 OG SER A 34 8.734 0.689 4.844 1.00 0.00 O ATOM 0 H SER A 34 7.836 -0.405 1.060 1.00 0.00 H new ATOM 0 HA SER A 34 7.486 -1.027 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.468 1.646 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.070 1.654 4.091 1.00 0.00 H new ATOM 0 HG SER A 34 9.342 -0.031 4.573 1.00 0.00 H new ATOM 473 N GLY A 35 5.063 0.313 3.546 1.00 0.00 N ATOM 474 CA GLY A 35 3.611 0.265 3.456 1.00 0.00 C ATOM 475 C GLY A 35 3.036 0.509 4.840 1.00 0.00 C ATOM 476 O GLY A 35 3.789 0.558 5.816 1.00 0.00 O ATOM 0 H GLY A 35 5.378 0.851 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.249 1.019 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.287 -0.704 3.076 1.00 0.00 H new ATOM 480 N TYR A 36 1.716 0.677 4.897 1.00 0.00 N ATOM 481 CA TYR A 36 0.914 0.788 6.105 1.00 0.00 C ATOM 482 C TYR A 36 -0.551 0.836 5.670 1.00 0.00 C ATOM 483 O TYR A 36 -0.857 0.807 4.476 1.00 0.00 O ATOM 484 CB TYR A 36 1.299 1.991 6.983 1.00 0.00 C ATOM 485 CG TYR A 36 1.022 3.343 6.383 1.00 0.00 C ATOM 486 CD1 TYR A 36 -0.243 3.932 6.555 1.00 0.00 C ATOM 487 CD2 TYR A 36 2.002 3.993 5.616 1.00 0.00 C ATOM 488 CE1 TYR A 36 -0.621 5.006 5.744 1.00 0.00 C ATOM 489 CE2 TYR A 36 1.653 5.141 4.891 1.00 0.00 C ATOM 490 CZ TYR A 36 0.310 5.545 4.848 1.00 0.00 C ATOM 491 OH TYR A 36 -0.110 6.397 3.886 1.00 0.00 O ATOM 0 H TYR A 36 1.150 0.742 4.051 1.00 0.00 H new ATOM 0 HA TYR A 36 1.097 -0.076 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.763 1.915 7.929 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.362 1.926 7.213 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.919 3.557 7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.013 3.613 5.585 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.619 5.415 5.808 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.410 5.709 4.371 1.00 0.00 H new ATOM 0 HH TYR A 36 0.658 6.888 3.526 1.00 0.00 H new ATOM 500 N CYS A 37 -1.445 0.917 6.650 1.00 0.00 N ATOM 501 CA CYS A 37 -2.885 0.964 6.438 1.00 0.00 C ATOM 502 C CYS A 37 -3.276 2.371 5.976 1.00 0.00 C ATOM 503 O CYS A 37 -3.520 3.257 6.793 1.00 0.00 O ATOM 504 CB CYS A 37 -3.601 0.560 7.733 1.00 0.00 C ATOM 505 SG CYS A 37 -3.156 -1.084 8.348 1.00 0.00 S ATOM 0 H CYS A 37 -1.181 0.952 7.635 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.186 0.261 5.661 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.376 1.297 8.504 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.677 0.593 7.565 1.00 0.00 H new ATOM 509 N CYS A 38 -3.299 2.592 4.661 1.00 0.00 N ATOM 510 CA CYS A 38 -3.873 3.784 4.052 1.00 0.00 C ATOM 511 C CYS A 38 -5.357 3.877 4.386 1.00 0.00 C ATOM 512 O CYS A 38 -5.965 2.888 4.786 1.00 0.00 O ATOM 513 CB CYS A 38 -3.703 3.743 2.527 1.00 0.00 C ATOM 514 SG CYS A 38 -2.363 4.752 1.880 1.00 0.00 S ATOM 0 H CYS A 38 -2.913 1.936 3.982 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.352 4.656 4.448 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.538 2.709 2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.636 4.066 2.064 1.00 0.00 H new ATOM 518 N LEU A 39 -5.924 5.067 4.140 1.00 0.00 N ATOM 519 CA LEU A 39 -7.299 5.487 4.411 1.00 0.00 C ATOM 520 C LEU A 39 -8.306 4.335 4.531 1.00 0.00 C ATOM 521 O LEU A 39 -9.050 4.278 5.505 1.00 0.00 O ATOM 522 CB LEU A 39 -7.739 6.528 3.359 1.00 0.00 C ATOM 523 CG LEU A 39 -8.250 7.826 4.006 1.00 0.00 C ATOM 524 CD1 LEU A 39 -8.424 8.913 2.940 1.00 0.00 C ATOM 525 CD2 LEU A 39 -9.584 7.602 4.729 1.00 0.00 C ATOM 0 H LEU A 39 -5.385 5.819 3.711 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.297 5.943 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.899 6.757 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.524 6.102 2.734 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.510 8.145 4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.786 9.828 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.466 9.107 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.144 8.578 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.918 8.539 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.331 7.254 4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.453 6.854 5.511 1.00 0.00 H new ATOM 536 N LEU A 40 -8.332 3.431 3.547 1.00 0.00 N ATOM 537 CA LEU A 40 -9.053 2.169 3.660 1.00 0.00 C ATOM 538 C LEU A 40 -8.410 1.090 2.780 1.00 0.00 C ATOM 539 O LEU A 40 -9.098 0.375 2.054 1.00 0.00 O ATOM 540 CB LEU A 40 -10.556 2.389 3.388 1.00 0.00 C ATOM 541 CG LEU A 40 -10.928 3.300 2.220 1.00 0.00 C ATOM 542 CD1 LEU A 40 -10.309 2.913 0.872 1.00 0.00 C ATOM 543 CD2 LEU A 40 -12.452 3.369 2.083 1.00 0.00 C ATOM 0 H LEU A 40 -7.854 3.557 2.655 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.979 1.793 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.014 1.415 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.007 2.798 4.292 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.507 4.274 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.632 3.619 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.222 2.936 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.632 1.909 0.598 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.713 4.020 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.847 2.369 1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.882 3.767 3.002 1.00 0.00 H new ATOM 554 N SER A 41 -7.077 0.975 2.800 1.00 0.00 N ATOM 555 CA SER A 41 -6.354 0.030 1.948 1.00 0.00 C ATOM 556 C SER A 41 -4.934 -0.185 2.471 1.00 0.00 C ATOM 557 O SER A 41 -4.482 0.561 3.331 1.00 0.00 O ATOM 558 CB SER A 41 -6.254 0.572 0.516 1.00 0.00 C ATOM 559 OG SER A 41 -7.502 0.956 -0.028 1.00 0.00 O ATOM 0 H SER A 41 -6.474 1.532 3.405 1.00 0.00 H new ATOM 0 HA SER A 41 -6.903 -0.912 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.582 1.430 0.506 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.807 -0.190 -0.122 1.00 0.00 H new ATOM 0 HG SER A 41 -8.222 0.484 0.440 1.00 0.00 H new ATOM 564 N CYS A 42 -4.199 -1.137 1.891 1.00 0.00 N ATOM 565 CA CYS A 42 -2.803 -1.382 2.233 1.00 0.00 C ATOM 566 C CYS A 42 -1.891 -0.713 1.225 1.00 0.00 C ATOM 567 O CYS A 42 -1.698 -1.178 0.095 1.00 0.00 O ATOM 568 CB CYS A 42 -2.536 -2.884 2.316 1.00 0.00 C ATOM 569 SG CYS A 42 -1.037 -3.322 3.222 1.00 0.00 S ATOM 0 H CYS A 42 -4.560 -1.760 1.169 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.594 -0.950 3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.389 -3.367 2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.466 -3.285 1.305 1.00 0.00 H new ATOM 573 N TYR A 43 -1.344 0.417 1.658 1.00 0.00 N ATOM 574 CA TYR A 43 -0.322 1.097 0.913 1.00 0.00 C ATOM 575 C TYR A 43 0.937 0.298 1.011 1.00 0.00 C ATOM 576 O TYR A 43 1.182 -0.343 2.033 1.00 0.00 O ATOM 577 CB TYR A 43 0.035 2.423 1.573 1.00 0.00 C ATOM 578 CG TYR A 43 0.443 3.585 0.666 1.00 0.00 C ATOM 579 CD1 TYR A 43 0.359 3.538 -0.744 1.00 0.00 C ATOM 580 CD2 TYR A 43 1.070 4.692 1.256 1.00 0.00 C ATOM 581 CE1 TYR A 43 0.751 4.632 -1.534 1.00 0.00 C ATOM 582 CE2 TYR A 43 1.494 5.773 0.469 1.00 0.00 C ATOM 583 CZ TYR A 43 1.259 5.778 -0.908 1.00 0.00 C ATOM 584 OH TYR A 43 1.558 6.892 -1.625 1.00 0.00 O ATOM 0 H TYR A 43 -1.603 0.876 2.532 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.687 1.235 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.823 2.745 2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.852 2.240 2.271 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.013 2.645 -1.223 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.228 4.712 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.662 4.590 -2.609 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.005 6.606 0.930 1.00 0.00 H new ATOM 0 HH TYR A 43 1.143 7.673 -1.203 1.00 0.00 H new ATOM 593 N CYS A 44 1.779 0.481 0.008 1.00 0.00 N ATOM 594 CA CYS A 44 3.115 0.029 -0.008 1.00 0.00 C ATOM 595 C CYS A 44 3.977 1.150 -0.589 1.00 0.00 C ATOM 596 O CYS A 44 3.440 2.071 -1.211 1.00 0.00 O ATOM 597 CB CYS A 44 3.066 -1.232 -0.816 1.00 0.00 C ATOM 598 SG CYS A 44 2.062 -2.523 -0.060 1.00 0.00 S ATOM 0 H CYS A 44 1.515 0.974 -0.845 1.00 0.00 H new ATOM 0 HA CYS A 44 3.559 -0.198 0.961 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.670 -1.006 -1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.080 -1.605 -0.956 1.00 0.00 H new ATOM 602 N PHE A 45 5.298 1.048 -0.428 1.00 0.00 N ATOM 603 CA PHE A 45 6.307 1.926 -0.983 1.00 0.00 C ATOM 604 C PHE A 45 7.377 1.045 -1.625 1.00 0.00 C ATOM 605 O PHE A 45 7.720 0.019 -1.046 1.00 0.00 O ATOM 606 CB PHE A 45 6.904 2.773 0.142 1.00 0.00 C ATOM 607 CG PHE A 45 5.962 3.806 0.742 1.00 0.00 C ATOM 608 CD1 PHE A 45 5.021 3.402 1.704 1.00 0.00 C ATOM 609 CD2 PHE A 45 6.039 5.167 0.384 1.00 0.00 C ATOM 610 CE1 PHE A 45 4.210 4.345 2.352 1.00 0.00 C ATOM 611 CE2 PHE A 45 5.215 6.115 1.026 1.00 0.00 C ATOM 612 CZ PHE A 45 4.341 5.713 2.052 1.00 0.00 C ATOM 0 H PHE A 45 5.708 0.299 0.130 1.00 0.00 H new ATOM 0 HA PHE A 45 5.886 2.599 -1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.242 2.108 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.786 3.287 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.921 2.354 1.947 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.730 5.485 -0.383 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.484 4.020 3.082 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.255 7.153 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.775 6.448 2.605 1.00 0.00 H new ATOM 621 N GLY A 46 7.861 1.405 -2.817 1.00 0.00 N ATOM 622 CA GLY A 46 8.905 0.670 -3.525 1.00 0.00 C ATOM 623 C GLY A 46 8.458 -0.704 -4.038 1.00 0.00 C ATOM 624 O GLY A 46 9.204 -1.674 -3.944 1.00 0.00 O ATOM 0 H GLY A 46 7.532 2.228 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.248 1.268 -4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.758 0.539 -2.860 1.00 0.00 H new ATOM 628 N LEU A 47 7.255 -0.786 -4.610 1.00 0.00 N ATOM 629 CA LEU A 47 6.632 -1.928 -5.227 1.00 0.00 C ATOM 630 C LEU A 47 7.388 -2.264 -6.506 1.00 0.00 C ATOM 631 O LEU A 47 6.906 -1.940 -7.586 1.00 0.00 O ATOM 632 CB LEU A 47 5.196 -1.488 -5.569 1.00 0.00 C ATOM 633 CG LEU A 47 4.369 -0.979 -4.377 1.00 0.00 C ATOM 634 CD1 LEU A 47 4.890 0.032 -3.379 1.00 0.00 C ATOM 635 CD2 LEU A 47 2.898 -0.765 -4.752 1.00 0.00 C ATOM 0 H LEU A 47 6.646 0.031 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 47 6.635 -2.805 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.243 -0.701 -6.321 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.672 -2.330 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 47 4.509 -1.841 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.124 0.233 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.780 -0.365 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.143 0.957 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.349 -0.405 -3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.830 -0.029 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.467 -1.708 -5.088 1.00 0.00 H new ATOM 646 N ASP A 48 8.594 -2.829 -6.383 1.00 0.00 N ATOM 647 CA ASP A 48 9.478 -3.040 -7.530 1.00 0.00 C ATOM 648 C ASP A 48 8.714 -3.681 -8.691 1.00 0.00 C ATOM 649 O ASP A 48 8.429 -3.042 -9.704 1.00 0.00 O ATOM 650 CB ASP A 48 10.731 -3.837 -7.145 1.00 0.00 C ATOM 651 CG ASP A 48 11.776 -3.634 -8.229 1.00 0.00 C ATOM 652 OD1 ASP A 48 11.475 -3.921 -9.407 1.00 0.00 O ATOM 653 OD2 ASP A 48 12.832 -3.022 -7.954 1.00 0.00 O ATOM 0 H ASP A 48 8.980 -3.149 -5.495 1.00 0.00 H new ATOM 0 HA ASP A 48 9.830 -2.065 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.113 -3.501 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.491 -4.895 -7.042 1.00 0.00 H new ATOM 657 N ASP A 49 8.303 -4.928 -8.475 1.00 0.00 N ATOM 658 CA ASP A 49 7.219 -5.547 -9.208 1.00 0.00 C ATOM 659 C ASP A 49 5.886 -4.934 -8.768 1.00 0.00 C ATOM 660 O ASP A 49 5.697 -4.647 -7.582 1.00 0.00 O ATOM 661 CB ASP A 49 7.235 -7.039 -8.896 1.00 0.00 C ATOM 662 CG ASP A 49 5.961 -7.732 -9.334 1.00 0.00 C ATOM 663 OD1 ASP A 49 5.475 -7.409 -10.436 1.00 0.00 O ATOM 664 OD2 ASP A 49 5.423 -8.457 -8.467 1.00 0.00 O ATOM 0 H ASP A 49 8.724 -5.539 -7.775 1.00 0.00 H new ATOM 0 HA ASP A 49 7.338 -5.385 -10.279 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.087 -7.503 -9.393 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.374 -7.182 -7.824 1.00 0.00 H new ATOM 668 N ASP A 50 4.930 -4.889 -9.691 1.00 0.00 N ATOM 669 CA ASP A 50 3.588 -4.358 -9.531 1.00 0.00 C ATOM 670 C ASP A 50 2.632 -5.314 -10.245 1.00 0.00 C ATOM 671 O ASP A 50 2.563 -5.413 -11.467 1.00 0.00 O ATOM 672 CB ASP A 50 3.425 -2.966 -10.113 1.00 0.00 C ATOM 673 CG ASP A 50 2.148 -2.274 -9.643 1.00 0.00 C ATOM 674 OD1 ASP A 50 1.097 -2.955 -9.550 1.00 0.00 O ATOM 675 OD2 ASP A 50 2.244 -1.056 -9.374 1.00 0.00 O ATOM 0 H ASP A 50 5.087 -5.248 -10.633 1.00 0.00 H new ATOM 0 HA ASP A 50 3.375 -4.276 -8.465 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.286 -2.358 -9.835 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.418 -3.031 -11.201 1.00 0.00 H new ATOM 679 N LYS A 51 1.939 -6.048 -9.406 1.00 0.00 N ATOM 680 CA LYS A 51 0.988 -7.095 -9.733 1.00 0.00 C ATOM 681 C LYS A 51 -0.195 -6.465 -10.471 1.00 0.00 C ATOM 682 O LYS A 51 -0.575 -6.925 -11.546 1.00 0.00 O ATOM 683 CB LYS A 51 0.544 -7.864 -8.465 1.00 0.00 C ATOM 684 CG LYS A 51 1.221 -7.446 -7.146 1.00 0.00 C ATOM 685 CD LYS A 51 2.729 -7.762 -7.138 1.00 0.00 C ATOM 686 CE LYS A 51 3.507 -6.787 -6.240 1.00 0.00 C ATOM 687 NZ LYS A 51 4.971 -6.965 -6.349 1.00 0.00 N ATOM 0 H LYS A 51 2.030 -5.922 -8.398 1.00 0.00 H new ATOM 0 HA LYS A 51 1.457 -7.832 -10.384 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.533 -7.744 -8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.731 -8.926 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.075 -6.377 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.740 -7.960 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.886 -8.783 -6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.118 -7.710 -8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.247 -5.763 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.203 -6.931 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.359 -7.228 -5.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.179 -7.717 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.406 -6.075 -6.666 1.00 0.00 H new ATOM 697 N ALA A 52 -0.763 -5.422 -9.856 1.00 0.00 N ATOM 698 CA ALA A 52 -1.902 -4.637 -10.297 1.00 0.00 C ATOM 699 C ALA A 52 -2.354 -3.766 -9.126 1.00 0.00 C ATOM 700 O ALA A 52 -3.400 -4.022 -8.531 1.00 0.00 O ATOM 701 CB ALA A 52 -3.047 -5.554 -10.740 1.00 0.00 C ATOM 0 H ALA A 52 -0.402 -5.084 -8.964 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.620 -4.017 -11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.892 -4.949 -11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.711 -6.184 -11.564 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.353 -6.183 -9.904 1.00 0.00 H new ATOM 707 N VAL A 53 -1.560 -2.758 -8.754 1.00 0.00 N ATOM 708 CA VAL A 53 -1.988 -1.848 -7.692 1.00 0.00 C ATOM 709 C VAL A 53 -3.348 -1.206 -7.993 1.00 0.00 C ATOM 710 O VAL A 53 -3.733 -1.036 -9.152 1.00 0.00 O ATOM 711 CB VAL A 53 -0.953 -0.747 -7.407 1.00 0.00 C ATOM 712 CG1 VAL A 53 0.297 -1.327 -6.748 1.00 0.00 C ATOM 713 CG2 VAL A 53 -0.619 0.070 -8.659 1.00 0.00 C ATOM 0 H VAL A 53 -0.646 -2.556 -9.158 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.084 -2.468 -6.800 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.403 -0.051 -6.700 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.012 -0.527 -6.557 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.024 -1.802 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.748 -2.066 -7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.116 0.835 -8.409 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.210 -0.589 -9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.525 0.546 -9.035 1.00 0.00 H new ATOM 723 N LEU A 54 -4.056 -0.797 -6.936 1.00 0.00 N ATOM 724 CA LEU A 54 -5.250 0.024 -7.078 1.00 0.00 C ATOM 725 C LEU A 54 -4.923 1.361 -7.740 1.00 0.00 C ATOM 726 O LEU A 54 -3.772 1.763 -7.909 1.00 0.00 O ATOM 727 CB LEU A 54 -5.940 0.262 -5.722 1.00 0.00 C ATOM 728 CG LEU A 54 -7.169 -0.625 -5.497 1.00 0.00 C ATOM 729 CD1 LEU A 54 -6.762 -2.096 -5.449 1.00 0.00 C ATOM 730 CD2 LEU A 54 -7.851 -0.245 -4.177 1.00 0.00 C ATOM 0 H LEU A 54 -3.817 -1.025 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.940 -0.525 -7.719 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.222 0.084 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.239 1.308 -5.654 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.862 -0.473 -6.325 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.646 -2.713 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.291 -2.374 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.057 -2.252 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.724 -0.879 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.151 -0.384 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.163 0.799 -4.216 1.00 0.00 H new ATOM 741 N LYS A 55 -6.004 2.056 -8.068 1.00 0.00 N ATOM 742 CA LYS A 55 -6.047 3.365 -8.691 1.00 0.00 C ATOM 743 C LYS A 55 -6.728 4.282 -7.681 1.00 0.00 C ATOM 744 O LYS A 55 -7.845 3.989 -7.258 1.00 0.00 O ATOM 745 CB LYS A 55 -6.812 3.288 -10.019 1.00 0.00 C ATOM 746 CG LYS A 55 -6.081 2.388 -11.028 1.00 0.00 C ATOM 747 CD LYS A 55 -6.909 2.117 -12.295 1.00 0.00 C ATOM 748 CE LYS A 55 -7.189 3.394 -13.102 1.00 0.00 C ATOM 749 NZ LYS A 55 -7.877 3.102 -14.377 1.00 0.00 N ATOM 0 H LYS A 55 -6.940 1.690 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.055 3.745 -8.936 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.815 2.901 -9.842 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.925 4.289 -10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.138 2.857 -11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.835 1.439 -10.550 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.379 1.402 -12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.855 1.654 -12.014 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.800 4.072 -12.507 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.249 3.908 -13.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.047 3.990 -14.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.283 2.475 -14.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.786 2.635 -14.182 1.00 0.00 H new ATOM 759 N ILE A 56 -6.019 5.312 -7.215 1.00 0.00 N ATOM 760 CA ILE A 56 -6.290 5.929 -5.928 1.00 0.00 C ATOM 761 C ILE A 56 -6.609 7.420 -6.083 1.00 0.00 C ATOM 762 O ILE A 56 -6.050 8.092 -6.948 1.00 0.00 O ATOM 763 CB ILE A 56 -5.097 5.633 -5.000 1.00 0.00 C ATOM 764 CG1 ILE A 56 -3.806 6.352 -5.433 1.00 0.00 C ATOM 765 CG2 ILE A 56 -4.876 4.116 -4.929 1.00 0.00 C ATOM 766 CD1 ILE A 56 -2.634 6.072 -4.490 1.00 0.00 C ATOM 0 H ILE A 56 -5.243 5.737 -7.723 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.185 5.506 -5.471 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.342 6.022 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.540 6.037 -6.442 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.988 7.426 -5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.032 3.902 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.772 3.636 -4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.666 3.732 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.749 6.603 -4.842 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.886 6.412 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.431 5.001 -4.470 1.00 0.00 H new ATOM 777 N LYS A 57 -7.535 7.927 -5.261 1.00 0.00 N ATOM 778 CA LYS A 57 -7.974 9.319 -5.309 1.00 0.00 C ATOM 779 C LYS A 57 -6.801 10.256 -5.015 1.00 0.00 C ATOM 780 O LYS A 57 -5.964 9.944 -4.168 1.00 0.00 O ATOM 781 CB LYS A 57 -9.100 9.602 -4.296 1.00 0.00 C ATOM 782 CG LYS A 57 -10.129 8.470 -4.093 1.00 0.00 C ATOM 783 CD LYS A 57 -9.836 7.536 -2.899 1.00 0.00 C ATOM 784 CE LYS A 57 -10.260 8.143 -1.547 1.00 0.00 C ATOM 785 NZ LYS A 57 -9.773 7.355 -0.389 1.00 0.00 N ATOM 0 H LYS A 57 -8.002 7.376 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.357 9.498 -6.314 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.645 9.830 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.633 10.497 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.115 8.914 -3.955 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.174 7.871 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.358 6.590 -3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.770 7.311 -2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.878 9.161 -1.475 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.347 8.207 -1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.383 7.534 0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.797 6.342 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.797 7.635 -0.164 1.00 0.00 H new ATOM 795 N ASP A 58 -6.768 11.438 -5.632 1.00 0.00 N ATOM 796 CA ASP A 58 -5.645 12.355 -5.446 1.00 0.00 C ATOM 797 C ASP A 58 -5.486 12.683 -3.969 1.00 0.00 C ATOM 798 O ASP A 58 -4.436 12.496 -3.368 1.00 0.00 O ATOM 799 CB ASP A 58 -5.812 13.649 -6.239 1.00 0.00 C ATOM 800 CG ASP A 58 -4.457 14.342 -6.311 1.00 0.00 C ATOM 801 OD1 ASP A 58 -4.027 14.942 -5.301 1.00 0.00 O ATOM 802 OD2 ASP A 58 -3.750 14.170 -7.328 1.00 0.00 O ATOM 0 H ASP A 58 -7.498 11.779 -6.258 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.753 11.852 -5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.183 13.435 -7.241 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.545 14.297 -5.759 1.00 0.00 H new ATOM 806 N ALA A 59 -6.595 13.101 -3.367 1.00 0.00 N ATOM 807 CA ALA A 59 -6.657 13.362 -1.939 1.00 0.00 C ATOM 808 C ALA A 59 -6.130 12.189 -1.104 1.00 0.00 C ATOM 809 O ALA A 59 -5.489 12.418 -0.084 1.00 0.00 O ATOM 810 CB ALA A 59 -8.090 13.722 -1.541 1.00 0.00 C ATOM 0 H ALA A 59 -7.474 13.267 -3.858 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.002 14.207 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.132 13.917 -0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -8.406 14.613 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.755 12.893 -1.785 1.00 0.00 H new ATOM 816 N THR A 60 -6.373 10.940 -1.521 1.00 0.00 N ATOM 817 CA THR A 60 -5.876 9.782 -0.786 1.00 0.00 C ATOM 818 C THR A 60 -4.363 9.656 -0.983 1.00 0.00 C ATOM 819 O THR A 60 -3.646 9.375 -0.028 1.00 0.00 O ATOM 820 CB THR A 60 -6.671 8.515 -1.164 1.00 0.00 C ATOM 821 OG1 THR A 60 -7.136 7.820 -0.020 1.00 0.00 O ATOM 822 CG2 THR A 60 -5.936 7.507 -2.045 1.00 0.00 C ATOM 0 H THR A 60 -6.908 10.712 -2.359 1.00 0.00 H new ATOM 0 HA THR A 60 -6.037 9.916 0.284 1.00 0.00 H new ATOM 0 HB THR A 60 -7.495 8.921 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.591 7.018 0.119 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.588 6.658 -2.248 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.656 7.982 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.039 7.161 -1.532 1.00 0.00 H new ATOM 830 N LYS A 61 -3.875 9.866 -2.212 1.00 0.00 N ATOM 831 CA LYS A 61 -2.449 9.925 -2.510 1.00 0.00 C ATOM 832 C LYS A 61 -1.796 10.914 -1.564 1.00 0.00 C ATOM 833 O LYS A 61 -0.914 10.567 -0.792 1.00 0.00 O ATOM 834 CB LYS A 61 -2.256 10.294 -3.996 1.00 0.00 C ATOM 835 CG LYS A 61 -1.135 11.269 -4.433 1.00 0.00 C ATOM 836 CD LYS A 61 -1.766 12.586 -4.912 1.00 0.00 C ATOM 837 CE LYS A 61 -0.800 13.604 -5.525 1.00 0.00 C ATOM 838 NZ LYS A 61 -1.559 14.741 -6.092 1.00 0.00 N ATOM 0 H LYS A 61 -4.469 10.000 -3.031 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.969 8.958 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.099 9.362 -4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.199 10.713 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.457 11.459 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.542 10.825 -5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.534 12.352 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.269 13.055 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.105 13.962 -4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.204 13.129 -6.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.899 15.496 -6.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.089 14.422 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.223 15.105 -5.379 1.00 0.00 H new ATOM 848 N SER A 62 -2.271 12.146 -1.638 1.00 0.00 N ATOM 849 CA SER A 62 -1.768 13.263 -0.852 1.00 0.00 C ATOM 850 C SER A 62 -1.733 12.905 0.637 1.00 0.00 C ATOM 851 O SER A 62 -0.689 13.006 1.282 1.00 0.00 O ATOM 852 CB SER A 62 -2.625 14.509 -1.131 1.00 0.00 C ATOM 853 OG SER A 62 -2.008 15.661 -0.593 1.00 0.00 O ATOM 0 H SER A 62 -3.036 12.405 -2.261 1.00 0.00 H new ATOM 0 HA SER A 62 -0.742 13.486 -1.144 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.763 14.630 -2.205 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.616 14.382 -0.695 1.00 0.00 H new ATOM 0 HG SER A 62 -2.563 16.447 -0.779 1.00 0.00 H new ATOM 858 N TYR A 63 -2.868 12.441 1.168 1.00 0.00 N ATOM 859 CA TYR A 63 -2.985 11.962 2.537 1.00 0.00 C ATOM 860 C TYR A 63 -1.893 10.943 2.853 1.00 0.00 C ATOM 861 O TYR A 63 -1.287 10.977 3.926 1.00 0.00 O ATOM 862 CB TYR A 63 -4.361 11.306 2.736 1.00 0.00 C ATOM 863 CG TYR A 63 -4.531 10.656 4.097 1.00 0.00 C ATOM 864 CD1 TYR A 63 -4.336 11.429 5.257 1.00 0.00 C ATOM 865 CD2 TYR A 63 -4.565 9.251 4.198 1.00 0.00 C ATOM 866 CE1 TYR A 63 -4.022 10.801 6.473 1.00 0.00 C ATOM 867 CE2 TYR A 63 -4.226 8.624 5.408 1.00 0.00 C ATOM 868 CZ TYR A 63 -3.900 9.405 6.531 1.00 0.00 C ATOM 869 OH TYR A 63 -3.322 8.837 7.627 1.00 0.00 O ATOM 0 H TYR A 63 -3.742 12.389 0.645 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.874 12.813 3.209 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.137 12.060 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.511 10.554 1.962 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.428 12.504 5.212 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.852 8.656 3.344 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.874 11.393 7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.216 7.546 5.476 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.309 7.863 7.522 1.00 0.00 H new ATOM 878 N CYS A 64 -1.720 9.986 1.942 1.00 0.00 N ATOM 879 CA CYS A 64 -0.935 8.790 2.195 1.00 0.00 C ATOM 880 C CYS A 64 0.564 8.923 1.974 1.00 0.00 C ATOM 881 O CYS A 64 1.353 8.250 2.631 1.00 0.00 O ATOM 882 CB CYS A 64 -1.492 7.581 1.440 1.00 0.00 C ATOM 883 SG CYS A 64 -2.884 6.733 2.222 1.00 0.00 S ATOM 0 H CYS A 64 -2.124 10.024 1.006 1.00 0.00 H new ATOM 0 HA CYS A 64 -1.042 8.631 3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -1.802 7.908 0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -0.685 6.861 1.300 1.00 0.00 H new ATOM 887 N ASP A 65 0.958 9.741 1.019 1.00 0.00 N ATOM 888 CA ASP A 65 2.323 9.760 0.497 1.00 0.00 C ATOM 889 C ASP A 65 3.278 10.343 1.544 1.00 0.00 C ATOM 890 O ASP A 65 4.236 9.699 1.986 1.00 0.00 O ATOM 891 CB ASP A 65 2.342 10.529 -0.830 1.00 0.00 C ATOM 892 CG ASP A 65 3.712 10.464 -1.488 1.00 0.00 C ATOM 893 OD1 ASP A 65 4.565 11.274 -1.074 1.00 0.00 O ATOM 894 OD2 ASP A 65 3.878 9.608 -2.389 1.00 0.00 O ATOM 0 H ASP A 65 0.340 10.420 0.575 1.00 0.00 H new ATOM 0 HA ASP A 65 2.671 8.747 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.593 10.114 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.070 11.570 -0.653 1.00 0.00 H new ATOM 898 N VAL A 66 2.933 11.552 1.995 1.00 0.00 N ATOM 899 CA VAL A 66 3.683 12.359 2.952 1.00 0.00 C ATOM 900 C VAL A 66 4.092 11.560 4.192 1.00 0.00 C ATOM 901 O VAL A 66 5.180 11.761 4.724 1.00 0.00 O ATOM 902 CB VAL A 66 2.858 13.607 3.330 1.00 0.00 C ATOM 903 CG1 VAL A 66 3.577 14.469 4.379 1.00 0.00 C ATOM 904 CG2 VAL A 66 2.584 14.482 2.098 1.00 0.00 C ATOM 0 H VAL A 66 2.079 12.015 1.685 1.00 0.00 H new ATOM 0 HA VAL A 66 4.612 12.675 2.477 1.00 0.00 H new ATOM 0 HB VAL A 66 1.919 13.240 3.745 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.964 15.338 4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.742 13.881 5.282 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.536 14.800 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.001 15.354 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.530 14.807 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.026 13.906 1.359 1.00 0.00 H new ATOM 914 N GLN A 67 3.204 10.668 4.632 1.00 0.00 N ATOM 915 CA GLN A 67 3.305 9.820 5.809 1.00 0.00 C ATOM 916 C GLN A 67 4.729 9.330 6.054 1.00 0.00 C ATOM 917 O GLN A 67 5.271 9.519 7.140 1.00 0.00 O ATOM 918 CB GLN A 67 2.363 8.637 5.586 1.00 0.00 C ATOM 919 CG GLN A 67 0.892 9.080 5.543 1.00 0.00 C ATOM 920 CD GLN A 67 0.286 9.523 6.833 1.00 0.00 C ATOM 921 OE1 GLN A 67 0.697 9.159 7.928 1.00 0.00 O ATOM 922 NE2 GLN A 67 -0.828 10.199 6.638 1.00 0.00 N ATOM 0 H GLN A 67 2.329 10.511 4.132 1.00 0.00 H new ATOM 0 HA GLN A 67 3.029 10.391 6.695 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.620 8.139 4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.500 7.908 6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.804 9.898 4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.299 8.252 5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.103 10.467 5.693 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.415 10.455 7.432 1.00 0.00 H new ATOM 929 N ILE A 68 5.317 8.684 5.046 1.00 0.00 N ATOM 930 CA ILE A 68 6.688 8.225 5.076 1.00 0.00 C ATOM 931 C ILE A 68 7.540 9.186 4.243 1.00 0.00 C ATOM 932 O ILE A 68 8.640 9.543 4.658 1.00 0.00 O ATOM 933 CB ILE A 68 6.714 6.759 4.612 1.00 0.00 C ATOM 934 CG1 ILE A 68 5.981 5.892 5.659 1.00 0.00 C ATOM 935 CG2 ILE A 68 8.152 6.303 4.385 1.00 0.00 C ATOM 936 CD1 ILE A 68 6.106 4.379 5.451 1.00 0.00 C ATOM 0 H ILE A 68 4.836 8.466 4.173 1.00 0.00 H new ATOM 0 HA ILE A 68 7.120 8.234 6.077 1.00 0.00 H new ATOM 0 HB ILE A 68 6.196 6.652 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.366 6.140 6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.924 6.158 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.157 5.264 4.057 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.615 6.927 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.713 6.392 5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.558 3.857 6.236 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.692 4.110 4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.157 4.092 5.490 1.00 0.00 H new ATOM 947 N ILE A 69 7.045 9.627 3.080 1.00 0.00 N ATOM 948 CA ILE A 69 7.746 10.613 2.268 1.00 0.00 C ATOM 949 C ILE A 69 7.459 11.997 2.848 1.00 0.00 C ATOM 950 O ILE A 69 8.343 12.851 2.905 1.00 0.00 O ATOM 951 CB ILE A 69 7.321 10.476 0.793 1.00 0.00 C ATOM 952 CG1 ILE A 69 7.731 9.082 0.276 1.00 0.00 C ATOM 953 CG2 ILE A 69 7.953 11.580 -0.068 1.00 0.00 C ATOM 954 CD1 ILE A 69 7.164 8.755 -1.109 1.00 0.00 C ATOM 0 H ILE A 69 6.159 9.312 2.685 1.00 0.00 H new ATOM 0 HA ILE A 69 8.824 10.453 2.291 1.00 0.00 H new ATOM 0 HB ILE A 69 6.239 10.585 0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.819 9.022 0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.395 8.326 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.636 11.459 -1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.633 12.555 0.298 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.039 11.510 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.492 7.760 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.075 8.783 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.521 9.489 -1.831 1.00 0.00 H new TER 965 ILE A 69