USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 545 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 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 180:sc= -0.0254 USER MOD Single : A 6 SER OG : rot 180:sc= -0.378 USER MOD Single : A 8 ASN : amide:sc= -0.0812 X(o=-0.081,f=-0.0034) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-3.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 80:sc= 0.793 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -76:sc= -0.49 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0672 USER MOD Single : A 63 TYR OH : rot -15:sc= 0.525 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.4) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -0.33 K(o=-0.33,f=-3!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 73 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-0.9) USER MOD Single : A 76 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 37.320 -24.451 -12.182 1.00 0.00 N ATOM 2 CA GLY A 1 38.114 -23.307 -12.589 1.00 0.00 C ATOM 3 C GLY A 1 37.570 -22.000 -12.046 1.00 0.00 C ATOM 4 O GLY A 1 37.886 -21.607 -10.923 1.00 0.00 O ATOM 0 H1 GLY A 1 37.733 -25.319 -12.579 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.310 -24.515 -11.144 1.00 0.00 H new ATOM 0 H3 GLY A 1 36.347 -24.340 -12.531 1.00 0.00 H new ATOM 0 HA2 GLY A 1 39.140 -23.440 -12.246 1.00 0.00 H new ATOM 0 HA3 GLY A 1 38.146 -23.259 -13.678 1.00 0.00 H new ATOM 8 N SER A 2 36.750 -21.325 -12.845 1.00 0.00 N ATOM 9 CA SER A 2 36.164 -20.052 -12.440 1.00 0.00 C ATOM 10 C SER A 2 34.977 -20.273 -11.508 1.00 0.00 C ATOM 11 O SER A 2 33.822 -20.197 -11.927 1.00 0.00 O ATOM 12 CB SER A 2 35.721 -19.257 -13.670 1.00 0.00 C ATOM 13 OG SER A 2 36.832 -18.666 -14.322 1.00 0.00 O ATOM 0 H SER A 2 36.476 -21.638 -13.776 1.00 0.00 H new ATOM 0 HA SER A 2 36.924 -19.484 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 2 35.196 -19.915 -14.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.016 -18.481 -13.371 1.00 0.00 H new ATOM 0 HG SER A 2 36.523 -18.165 -15.106 1.00 0.00 H new ATOM 19 N SER A 3 35.270 -20.546 -10.241 1.00 0.00 N ATOM 20 CA SER A 3 34.228 -20.781 -9.248 1.00 0.00 C ATOM 21 C SER A 3 33.334 -19.554 -9.098 1.00 0.00 C ATOM 22 O SER A 3 32.163 -19.576 -9.475 1.00 0.00 O ATOM 23 CB SER A 3 34.852 -21.140 -7.898 1.00 0.00 C ATOM 24 OG SER A 3 35.037 -22.539 -7.778 1.00 0.00 O ATOM 0 H SER A 3 36.221 -20.610 -9.877 1.00 0.00 H new ATOM 0 HA SER A 3 33.616 -21.615 -9.590 1.00 0.00 H new ATOM 0 HB2 SER A 3 35.811 -20.633 -7.791 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.211 -20.784 -7.091 1.00 0.00 H new ATOM 0 HG SER A 3 35.439 -22.742 -6.908 1.00 0.00 H new ATOM 30 N GLY A 4 33.896 -18.484 -8.544 1.00 0.00 N ATOM 31 CA GLY A 4 33.136 -17.262 -8.353 1.00 0.00 C ATOM 32 C GLY A 4 33.499 -16.549 -7.066 1.00 0.00 C ATOM 33 O GLY A 4 34.454 -16.926 -6.388 1.00 0.00 O ATOM 0 H GLY A 4 34.864 -18.441 -8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 4 33.310 -16.594 -9.196 1.00 0.00 H new ATOM 0 HA3 GLY A 4 32.072 -17.497 -8.347 1.00 0.00 H new ATOM 37 N SER A 5 32.735 -15.514 -6.729 1.00 0.00 N ATOM 38 CA SER A 5 32.985 -14.742 -5.518 1.00 0.00 C ATOM 39 C SER A 5 31.688 -14.154 -4.972 1.00 0.00 C ATOM 40 O SER A 5 30.662 -14.147 -5.652 1.00 0.00 O ATOM 41 CB SER A 5 33.988 -13.622 -5.798 1.00 0.00 C ATOM 42 OG SER A 5 35.213 -14.144 -6.283 1.00 0.00 O ATOM 0 H SER A 5 31.938 -15.191 -7.278 1.00 0.00 H new ATOM 0 HA SER A 5 33.403 -15.414 -4.769 1.00 0.00 H new ATOM 0 HB2 SER A 5 33.570 -12.929 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 5 34.167 -13.053 -4.885 1.00 0.00 H new ATOM 0 HG SER A 5 35.837 -13.408 -6.456 1.00 0.00 H new ATOM 48 N SER A 6 31.742 -13.660 -3.739 1.00 0.00 N ATOM 49 CA SER A 6 30.571 -13.072 -3.098 1.00 0.00 C ATOM 50 C SER A 6 30.985 -12.070 -2.025 1.00 0.00 C ATOM 51 O SER A 6 32.095 -12.130 -1.498 1.00 0.00 O ATOM 52 CB SER A 6 29.698 -14.167 -2.481 1.00 0.00 C ATOM 53 OG SER A 6 29.741 -15.352 -3.256 1.00 0.00 O ATOM 0 H SER A 6 32.584 -13.655 -3.164 1.00 0.00 H new ATOM 0 HA SER A 6 29.996 -12.545 -3.859 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.038 -14.379 -1.467 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.669 -13.816 -2.405 1.00 0.00 H new ATOM 0 HG SER A 6 29.176 -16.036 -2.839 1.00 0.00 H new ATOM 59 N GLY A 7 30.082 -11.147 -1.707 1.00 0.00 N ATOM 60 CA GLY A 7 30.371 -10.143 -0.699 1.00 0.00 C ATOM 61 C GLY A 7 29.174 -9.846 0.183 1.00 0.00 C ATOM 62 O GLY A 7 28.056 -10.264 -0.116 1.00 0.00 O ATOM 0 H GLY A 7 29.156 -11.077 -2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 7 31.200 -10.483 -0.079 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.695 -9.224 -1.188 1.00 0.00 H new ATOM 66 N ASN A 8 29.409 -9.124 1.273 1.00 0.00 N ATOM 67 CA ASN A 8 28.341 -8.773 2.202 1.00 0.00 C ATOM 68 C ASN A 8 27.567 -7.555 1.707 1.00 0.00 C ATOM 69 O ASN A 8 28.078 -6.435 1.718 1.00 0.00 O ATOM 70 CB ASN A 8 28.918 -8.494 3.592 1.00 0.00 C ATOM 71 CG ASN A 8 29.127 -9.763 4.396 1.00 0.00 C ATOM 72 OD1 ASN A 8 30.247 -10.077 4.801 1.00 0.00 O ATOM 73 ND2 ASN A 8 28.048 -10.500 4.631 1.00 0.00 N ATOM 0 H ASN A 8 30.329 -8.770 1.535 1.00 0.00 H new ATOM 0 HA ASN A 8 27.654 -9.617 2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 8 29.869 -7.971 3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 8 28.246 -7.830 4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 8 28.128 -11.365 5.166 1.00 0.00 H new ATOM 0 HD22 ASN A 8 27.139 -10.202 4.276 1.00 0.00 H new ATOM 80 N VAL A 9 26.331 -7.782 1.274 1.00 0.00 N ATOM 81 CA VAL A 9 25.486 -6.704 0.776 1.00 0.00 C ATOM 82 C VAL A 9 24.009 -7.029 0.972 1.00 0.00 C ATOM 83 O VAL A 9 23.570 -8.149 0.712 1.00 0.00 O ATOM 84 CB VAL A 9 25.745 -6.430 -0.717 1.00 0.00 C ATOM 85 CG1 VAL A 9 25.388 -7.649 -1.554 1.00 0.00 C ATOM 86 CG2 VAL A 9 24.964 -5.209 -1.178 1.00 0.00 C ATOM 0 H VAL A 9 25.893 -8.703 1.258 1.00 0.00 H new ATOM 0 HA VAL A 9 25.740 -5.813 1.350 1.00 0.00 H new ATOM 0 HB VAL A 9 26.807 -6.225 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.578 -7.436 -2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 9 25.997 -8.497 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.334 -7.889 -1.417 1.00 0.00 H new ATOM 0 HG21 VAL A 9 25.159 -5.030 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 9 23.898 -5.382 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 9 25.274 -4.339 -0.600 1.00 0.00 H new ATOM 96 N GLN A 10 23.248 -6.041 1.433 1.00 0.00 N ATOM 97 CA GLN A 10 21.819 -6.222 1.664 1.00 0.00 C ATOM 98 C GLN A 10 21.051 -4.942 1.353 1.00 0.00 C ATOM 99 O GLN A 10 21.393 -3.867 1.845 1.00 0.00 O ATOM 100 CB GLN A 10 21.566 -6.645 3.112 1.00 0.00 C ATOM 101 CG GLN A 10 22.293 -5.785 4.133 1.00 0.00 C ATOM 102 CD GLN A 10 22.188 -6.337 5.541 1.00 0.00 C ATOM 103 OE1 GLN A 10 22.335 -7.539 5.762 1.00 0.00 O ATOM 104 NE2 GLN A 10 21.932 -5.458 6.504 1.00 0.00 N ATOM 0 H GLN A 10 23.597 -5.108 1.654 1.00 0.00 H new ATOM 0 HA GLN A 10 21.464 -7.007 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 10 20.495 -6.604 3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 10 21.875 -7.683 3.238 1.00 0.00 H new ATOM 0 HG2 GLN A 10 23.344 -5.707 3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 10 21.882 -4.776 4.111 1.00 0.00 H new ATOM 0 HE21 GLN A 10 21.817 -4.470 6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 10 21.850 -5.771 7.471 1.00 0.00 H new ATOM 113 N GLU A 11 20.011 -5.066 0.534 1.00 0.00 N ATOM 114 CA GLU A 11 19.195 -3.918 0.157 1.00 0.00 C ATOM 115 C GLU A 11 17.858 -3.937 0.891 1.00 0.00 C ATOM 116 O GLU A 11 17.523 -4.909 1.568 1.00 0.00 O ATOM 117 CB GLU A 11 18.960 -3.905 -1.355 1.00 0.00 C ATOM 118 CG GLU A 11 20.233 -3.737 -2.167 1.00 0.00 C ATOM 119 CD GLU A 11 20.682 -2.292 -2.255 1.00 0.00 C ATOM 120 OE1 GLU A 11 20.053 -1.520 -3.009 1.00 0.00 O ATOM 121 OE2 GLU A 11 21.663 -1.932 -1.571 1.00 0.00 O ATOM 0 H GLU A 11 19.714 -5.949 0.119 1.00 0.00 H new ATOM 0 HA GLU A 11 19.733 -3.013 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.473 -4.836 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.273 -3.095 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.027 -4.334 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 11 20.072 -4.125 -3.173 1.00 0.00 H new ATOM 128 N GLU A 12 17.097 -2.855 0.752 1.00 0.00 N ATOM 129 CA GLU A 12 15.797 -2.747 1.402 1.00 0.00 C ATOM 130 C GLU A 12 14.671 -2.747 0.372 1.00 0.00 C ATOM 131 O GLU A 12 13.785 -1.893 0.405 1.00 0.00 O ATOM 132 CB GLU A 12 15.729 -1.474 2.248 1.00 0.00 C ATOM 133 CG GLU A 12 16.662 -1.489 3.448 1.00 0.00 C ATOM 134 CD GLU A 12 16.279 -2.542 4.470 1.00 0.00 C ATOM 135 OE1 GLU A 12 15.072 -2.838 4.592 1.00 0.00 O ATOM 136 OE2 GLU A 12 17.186 -3.068 5.149 1.00 0.00 O ATOM 0 H GLU A 12 17.359 -2.042 0.195 1.00 0.00 H new ATOM 0 HA GLU A 12 15.672 -3.613 2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 12 15.973 -0.617 1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.706 -1.333 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 12 17.682 -1.671 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 12 16.654 -0.508 3.922 1.00 0.00 H new ATOM 143 N VAL A 13 14.714 -3.710 -0.543 1.00 0.00 N ATOM 144 CA VAL A 13 13.699 -3.823 -1.583 1.00 0.00 C ATOM 145 C VAL A 13 13.084 -5.217 -1.602 1.00 0.00 C ATOM 146 O VAL A 13 13.272 -5.979 -2.552 1.00 0.00 O ATOM 147 CB VAL A 13 14.283 -3.511 -2.974 1.00 0.00 C ATOM 148 CG1 VAL A 13 14.547 -2.021 -3.121 1.00 0.00 C ATOM 149 CG2 VAL A 13 15.555 -4.312 -3.208 1.00 0.00 C ATOM 0 H VAL A 13 15.442 -4.424 -0.585 1.00 0.00 H new ATOM 0 HA VAL A 13 12.925 -3.092 -1.350 1.00 0.00 H new ATOM 0 HB VAL A 13 13.553 -3.802 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.959 -1.820 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 13 13.613 -1.472 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 13 15.258 -1.701 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 13 15.955 -4.080 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 13 16.292 -4.054 -2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 13 15.330 -5.377 -3.149 1.00 0.00 H new ATOM 159 N THR A 14 12.347 -5.548 -0.547 1.00 0.00 N ATOM 160 CA THR A 14 11.704 -6.852 -0.442 1.00 0.00 C ATOM 161 C THR A 14 10.307 -6.730 0.157 1.00 0.00 C ATOM 162 O THR A 14 10.139 -6.231 1.270 1.00 0.00 O ATOM 163 CB THR A 14 12.536 -7.821 0.419 1.00 0.00 C ATOM 164 OG1 THR A 14 13.462 -7.086 1.228 1.00 0.00 O ATOM 165 CG2 THR A 14 13.293 -8.809 -0.456 1.00 0.00 C ATOM 0 H THR A 14 12.180 -4.931 0.248 1.00 0.00 H new ATOM 0 HA THR A 14 11.629 -7.249 -1.454 1.00 0.00 H new ATOM 0 HB THR A 14 11.854 -8.378 1.062 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.986 -7.709 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.873 -9.483 0.174 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.584 -9.387 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 14 13.965 -8.266 -1.121 1.00 0.00 H new ATOM 173 N CYS A 15 9.307 -7.189 -0.588 1.00 0.00 N ATOM 174 CA CYS A 15 7.924 -7.132 -0.131 1.00 0.00 C ATOM 175 C CYS A 15 7.789 -7.721 1.271 1.00 0.00 C ATOM 176 O CYS A 15 7.899 -8.930 1.476 1.00 0.00 O ATOM 177 CB CYS A 15 7.012 -7.884 -1.102 1.00 0.00 C ATOM 178 SG CYS A 15 5.234 -7.664 -0.775 1.00 0.00 S ATOM 0 H CYS A 15 9.429 -7.605 -1.511 1.00 0.00 H new ATOM 0 HA CYS A 15 7.622 -6.085 -0.097 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.227 -7.551 -2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 15 7.250 -8.947 -1.058 1.00 0.00 H new ATOM 183 N PRO A 16 7.545 -6.847 2.259 1.00 0.00 N ATOM 184 CA PRO A 16 7.389 -7.257 3.657 1.00 0.00 C ATOM 185 C PRO A 16 6.099 -8.034 3.893 1.00 0.00 C ATOM 186 O PRO A 16 5.886 -8.589 4.972 1.00 0.00 O ATOM 187 CB PRO A 16 7.359 -5.928 4.416 1.00 0.00 C ATOM 188 CG PRO A 16 6.875 -4.934 3.418 1.00 0.00 C ATOM 189 CD PRO A 16 7.402 -5.392 2.087 1.00 0.00 C ATOM 0 HA PRO A 16 8.187 -7.928 3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.694 -5.979 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.348 -5.664 4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.786 -4.887 3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.236 -3.934 3.657 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.714 -5.149 1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.355 -4.920 1.848 1.00 0.00 H new ATOM 197 N ILE A 17 5.242 -8.071 2.879 1.00 0.00 N ATOM 198 CA ILE A 17 3.973 -8.782 2.976 1.00 0.00 C ATOM 199 C ILE A 17 4.148 -10.264 2.665 1.00 0.00 C ATOM 200 O ILE A 17 4.018 -11.114 3.546 1.00 0.00 O ATOM 201 CB ILE A 17 2.921 -8.189 2.021 1.00 0.00 C ATOM 202 CG1 ILE A 17 2.855 -6.668 2.179 1.00 0.00 C ATOM 203 CG2 ILE A 17 1.558 -8.813 2.281 1.00 0.00 C ATOM 204 CD1 ILE A 17 1.905 -6.000 1.210 1.00 0.00 C ATOM 0 H ILE A 17 5.403 -7.617 1.980 1.00 0.00 H new ATOM 0 HA ILE A 17 3.625 -8.668 4.003 1.00 0.00 H new ATOM 0 HB ILE A 17 3.214 -8.416 0.996 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.549 -6.430 3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.853 -6.253 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.825 -8.384 1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.615 -9.890 2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.257 -8.613 3.309 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.910 -4.923 1.380 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.222 -6.208 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.898 -6.387 1.363 1.00 0.00 H new ATOM 216 N CYS A 18 4.445 -10.567 1.405 1.00 0.00 N ATOM 217 CA CYS A 18 4.640 -11.947 0.976 1.00 0.00 C ATOM 218 C CYS A 18 6.037 -12.439 1.344 1.00 0.00 C ATOM 219 O CYS A 18 6.290 -13.643 1.392 1.00 0.00 O ATOM 220 CB CYS A 18 4.425 -12.068 -0.534 1.00 0.00 C ATOM 221 SG CYS A 18 5.695 -11.230 -1.535 1.00 0.00 S ATOM 0 H CYS A 18 4.556 -9.875 0.664 1.00 0.00 H new ATOM 0 HA CYS A 18 3.908 -12.569 1.491 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.403 -13.124 -0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.448 -11.655 -0.785 1.00 0.00 H new ATOM 226 N LEU A 19 6.939 -11.499 1.603 1.00 0.00 N ATOM 227 CA LEU A 19 8.311 -11.836 1.967 1.00 0.00 C ATOM 228 C LEU A 19 9.009 -12.578 0.832 1.00 0.00 C ATOM 229 O LEU A 19 9.304 -13.767 0.944 1.00 0.00 O ATOM 230 CB LEU A 19 8.328 -12.690 3.236 1.00 0.00 C ATOM 231 CG LEU A 19 7.513 -12.157 4.415 1.00 0.00 C ATOM 232 CD1 LEU A 19 7.398 -13.211 5.505 1.00 0.00 C ATOM 233 CD2 LEU A 19 8.140 -10.884 4.965 1.00 0.00 C ATOM 0 H LEU A 19 6.745 -10.498 1.568 1.00 0.00 H new ATOM 0 HA LEU A 19 8.849 -10.907 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.959 -13.685 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.363 -12.806 3.558 1.00 0.00 H new ATOM 0 HG LEU A 19 6.510 -11.920 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.815 -12.813 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.903 -14.096 5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 19 8.394 -13.480 5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.547 -10.519 5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.155 -11.095 5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.168 -10.125 4.183 1.00 0.00 H new ATOM 245 N GLU A 20 9.273 -11.866 -0.260 1.00 0.00 N ATOM 246 CA GLU A 20 9.938 -12.458 -1.414 1.00 0.00 C ATOM 247 C GLU A 20 10.693 -11.397 -2.210 1.00 0.00 C ATOM 248 O GLU A 20 10.744 -10.230 -1.818 1.00 0.00 O ATOM 249 CB GLU A 20 8.918 -13.157 -2.316 1.00 0.00 C ATOM 250 CG GLU A 20 8.338 -14.424 -1.710 1.00 0.00 C ATOM 251 CD GLU A 20 9.406 -15.430 -1.328 1.00 0.00 C ATOM 252 OE1 GLU A 20 10.413 -15.535 -2.059 1.00 0.00 O ATOM 253 OE2 GLU A 20 9.235 -16.112 -0.296 1.00 0.00 O ATOM 0 H GLU A 20 9.037 -10.880 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 20 10.655 -13.194 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.105 -12.465 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.393 -13.403 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.755 -14.166 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.651 -14.882 -2.422 1.00 0.00 H new ATOM 260 N LEU A 21 11.279 -11.810 -3.328 1.00 0.00 N ATOM 261 CA LEU A 21 12.033 -10.897 -4.180 1.00 0.00 C ATOM 262 C LEU A 21 11.095 -10.053 -5.038 1.00 0.00 C ATOM 263 O LEU A 21 10.107 -10.556 -5.575 1.00 0.00 O ATOM 264 CB LEU A 21 12.996 -11.679 -5.075 1.00 0.00 C ATOM 265 CG LEU A 21 14.259 -10.937 -5.513 1.00 0.00 C ATOM 266 CD1 LEU A 21 15.387 -11.919 -5.785 1.00 0.00 C ATOM 267 CD2 LEU A 21 13.979 -10.088 -6.744 1.00 0.00 C ATOM 0 H LEU A 21 11.247 -12.772 -3.666 1.00 0.00 H new ATOM 0 HA LEU A 21 12.607 -10.230 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 21 13.296 -12.585 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.456 -11.994 -5.968 1.00 0.00 H new ATOM 0 HG LEU A 21 14.568 -10.276 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 21 16.278 -11.373 -6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 21 15.605 -12.483 -4.878 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.088 -12.606 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.889 -9.567 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 21 13.645 -10.729 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.202 -9.359 -6.514 1.00 0.00 H new ATOM 279 N LEU A 22 11.412 -8.769 -5.165 1.00 0.00 N ATOM 280 CA LEU A 22 10.599 -7.856 -5.960 1.00 0.00 C ATOM 281 C LEU A 22 10.931 -7.982 -7.444 1.00 0.00 C ATOM 282 O LEU A 22 12.076 -7.792 -7.854 1.00 0.00 O ATOM 283 CB LEU A 22 10.818 -6.414 -5.498 1.00 0.00 C ATOM 284 CG LEU A 22 10.144 -6.021 -4.183 1.00 0.00 C ATOM 285 CD1 LEU A 22 10.477 -4.582 -3.821 1.00 0.00 C ATOM 286 CD2 LEU A 22 8.637 -6.215 -4.277 1.00 0.00 C ATOM 0 H LEU A 22 12.226 -8.337 -4.728 1.00 0.00 H new ATOM 0 HA LEU A 22 9.552 -8.123 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.890 -6.244 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.461 -5.745 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 22 10.525 -6.669 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.988 -4.321 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.556 -4.475 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.125 -3.918 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.174 -5.930 -3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.239 -5.592 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.417 -7.262 -4.488 1.00 0.00 H new ATOM 298 N THR A 23 9.920 -8.302 -8.246 1.00 0.00 N ATOM 299 CA THR A 23 10.103 -8.453 -9.683 1.00 0.00 C ATOM 300 C THR A 23 9.652 -7.202 -10.429 1.00 0.00 C ATOM 301 O THR A 23 10.280 -6.791 -11.405 1.00 0.00 O ATOM 302 CB THR A 23 9.326 -9.668 -10.225 1.00 0.00 C ATOM 303 OG1 THR A 23 9.380 -10.744 -9.281 1.00 0.00 O ATOM 304 CG2 THR A 23 9.899 -10.126 -11.558 1.00 0.00 C ATOM 0 H THR A 23 8.966 -8.462 -7.924 1.00 0.00 H new ATOM 0 HA THR A 23 11.169 -8.609 -9.851 1.00 0.00 H new ATOM 0 HB THR A 23 8.289 -9.370 -10.377 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.883 -11.512 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.334 -10.985 -11.921 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.830 -9.314 -12.282 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.944 -10.408 -11.427 1.00 0.00 H new ATOM 312 N GLU A 24 8.562 -6.602 -9.964 1.00 0.00 N ATOM 313 CA GLU A 24 8.027 -5.398 -10.588 1.00 0.00 C ATOM 314 C GLU A 24 7.136 -4.630 -9.616 1.00 0.00 C ATOM 315 O GLU A 24 5.918 -4.557 -9.778 1.00 0.00 O ATOM 316 CB GLU A 24 7.236 -5.758 -11.848 1.00 0.00 C ATOM 317 CG GLU A 24 6.269 -6.912 -11.650 1.00 0.00 C ATOM 318 CD GLU A 24 5.251 -7.019 -12.769 1.00 0.00 C ATOM 319 OE1 GLU A 24 5.632 -6.811 -13.940 1.00 0.00 O ATOM 320 OE2 GLU A 24 4.073 -7.311 -12.473 1.00 0.00 O ATOM 0 H GLU A 24 8.032 -6.930 -9.157 1.00 0.00 H new ATOM 0 HA GLU A 24 8.866 -4.760 -10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.680 -4.882 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.935 -6.013 -12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.830 -7.844 -11.584 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.748 -6.786 -10.701 1.00 0.00 H new ATOM 327 N PRO A 25 7.756 -4.044 -8.582 1.00 0.00 N ATOM 328 CA PRO A 25 7.039 -3.272 -7.563 1.00 0.00 C ATOM 329 C PRO A 25 6.496 -1.956 -8.109 1.00 0.00 C ATOM 330 O PRO A 25 6.879 -1.517 -9.194 1.00 0.00 O ATOM 331 CB PRO A 25 8.108 -3.009 -6.499 1.00 0.00 C ATOM 332 CG PRO A 25 9.401 -3.073 -7.237 1.00 0.00 C ATOM 333 CD PRO A 25 9.206 -4.091 -8.327 1.00 0.00 C ATOM 0 HA PRO A 25 6.166 -3.806 -7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.968 -2.035 -6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.068 -3.755 -5.705 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.661 -2.100 -7.654 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.215 -3.363 -6.573 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.779 -3.839 -9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.527 -5.084 -8.012 1.00 0.00 H new ATOM 341 N LEU A 26 5.603 -1.330 -7.350 1.00 0.00 N ATOM 342 CA LEU A 26 5.008 -0.062 -7.758 1.00 0.00 C ATOM 343 C LEU A 26 5.044 0.949 -6.617 1.00 0.00 C ATOM 344 O LEU A 26 4.355 0.789 -5.610 1.00 0.00 O ATOM 345 CB LEU A 26 3.564 -0.279 -8.217 1.00 0.00 C ATOM 346 CG LEU A 26 3.322 -1.485 -9.125 1.00 0.00 C ATOM 347 CD1 LEU A 26 1.837 -1.802 -9.206 1.00 0.00 C ATOM 348 CD2 LEU A 26 3.891 -1.230 -10.513 1.00 0.00 C ATOM 0 H LEU A 26 5.275 -1.679 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 26 5.592 0.335 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.935 -0.383 -7.333 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.232 0.617 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 26 3.834 -2.347 -8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.684 -2.663 -9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.458 -2.028 -8.209 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.303 -0.942 -9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.710 -2.099 -11.146 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.408 -0.356 -10.949 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.964 -1.052 -10.439 1.00 0.00 H new ATOM 360 N SER A 27 5.852 1.992 -6.782 1.00 0.00 N ATOM 361 CA SER A 27 5.980 3.029 -5.765 1.00 0.00 C ATOM 362 C SER A 27 4.611 3.572 -5.369 1.00 0.00 C ATOM 363 O SER A 27 3.933 4.223 -6.166 1.00 0.00 O ATOM 364 CB SER A 27 6.865 4.167 -6.276 1.00 0.00 C ATOM 365 OG SER A 27 8.224 3.769 -6.337 1.00 0.00 O ATOM 0 H SER A 27 6.428 2.141 -7.611 1.00 0.00 H new ATOM 0 HA SER A 27 6.444 2.585 -4.884 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.529 4.477 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.765 5.032 -5.620 1.00 0.00 H new ATOM 0 HG SER A 27 8.768 4.514 -6.668 1.00 0.00 H new ATOM 371 N LEU A 28 4.209 3.301 -4.132 1.00 0.00 N ATOM 372 CA LEU A 28 2.921 3.762 -3.627 1.00 0.00 C ATOM 373 C LEU A 28 2.971 5.247 -3.282 1.00 0.00 C ATOM 374 O LEU A 28 3.976 5.917 -3.522 1.00 0.00 O ATOM 375 CB LEU A 28 2.515 2.953 -2.394 1.00 0.00 C ATOM 376 CG LEU A 28 2.710 1.440 -2.490 1.00 0.00 C ATOM 377 CD1 LEU A 28 2.390 0.775 -1.160 1.00 0.00 C ATOM 378 CD2 LEU A 28 1.846 0.860 -3.600 1.00 0.00 C ATOM 0 H LEU A 28 4.757 2.764 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 28 2.178 3.615 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.085 3.319 -1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.464 3.151 -2.184 1.00 0.00 H new ATOM 0 HG LEU A 28 3.755 1.242 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.534 -0.302 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.052 1.168 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.354 0.981 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.998 -0.218 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.797 1.069 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.124 1.313 -4.552 1.00 0.00 H new ATOM 390 N ASP A 29 1.882 5.754 -2.714 1.00 0.00 N ATOM 391 CA ASP A 29 1.803 7.160 -2.332 1.00 0.00 C ATOM 392 C ASP A 29 2.241 7.354 -0.884 1.00 0.00 C ATOM 393 O ASP A 29 2.806 8.389 -0.529 1.00 0.00 O ATOM 394 CB ASP A 29 0.378 7.682 -2.522 1.00 0.00 C ATOM 395 CG ASP A 29 0.340 9.172 -2.800 1.00 0.00 C ATOM 396 OD1 ASP A 29 0.511 9.561 -3.974 1.00 0.00 O ATOM 397 OD2 ASP A 29 0.139 9.949 -1.843 1.00 0.00 O ATOM 0 H ASP A 29 1.042 5.213 -2.508 1.00 0.00 H new ATOM 0 HA ASP A 29 2.477 7.725 -2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.094 7.149 -3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.207 7.467 -1.628 1.00 0.00 H new ATOM 402 N CYS A 30 1.976 6.353 -0.052 1.00 0.00 N ATOM 403 CA CYS A 30 2.342 6.414 1.359 1.00 0.00 C ATOM 404 C CYS A 30 3.856 6.351 1.532 1.00 0.00 C ATOM 405 O CYS A 30 4.407 6.908 2.480 1.00 0.00 O ATOM 406 CB CYS A 30 1.682 5.267 2.128 1.00 0.00 C ATOM 407 SG CYS A 30 2.075 3.612 1.477 1.00 0.00 S ATOM 0 H CYS A 30 1.509 5.490 -0.330 1.00 0.00 H new ATOM 0 HA CYS A 30 1.988 7.364 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.992 5.318 3.172 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.601 5.406 2.109 1.00 0.00 H new ATOM 412 N GLY A 31 4.525 5.669 0.606 1.00 0.00 N ATOM 413 CA GLY A 31 5.969 5.546 0.674 1.00 0.00 C ATOM 414 C GLY A 31 6.416 4.136 1.006 1.00 0.00 C ATOM 415 O GLY A 31 7.047 3.903 2.038 1.00 0.00 O ATOM 0 H GLY A 31 4.092 5.200 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.401 5.846 -0.281 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.354 6.233 1.428 1.00 0.00 H new ATOM 419 N HIS A 32 6.087 3.191 0.131 1.00 0.00 N ATOM 420 CA HIS A 32 6.458 1.795 0.337 1.00 0.00 C ATOM 421 C HIS A 32 6.638 1.078 -0.997 1.00 0.00 C ATOM 422 O HIS A 32 6.485 1.678 -2.061 1.00 0.00 O ATOM 423 CB HIS A 32 5.396 1.082 1.174 1.00 0.00 C ATOM 424 CG HIS A 32 5.483 1.385 2.638 1.00 0.00 C ATOM 425 ND1 HIS A 32 4.914 2.502 3.211 1.00 0.00 N ATOM 426 CD2 HIS A 32 6.077 0.707 3.648 1.00 0.00 C ATOM 427 CE1 HIS A 32 5.155 2.500 4.509 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.859 1.421 4.801 1.00 0.00 N ATOM 0 H HIS A 32 5.564 3.366 -0.727 1.00 0.00 H new ATOM 0 HA HIS A 32 7.407 1.772 0.872 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.408 1.366 0.811 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.492 0.006 1.028 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.389 3.219 2.710 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.621 -0.222 3.563 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.832 3.253 5.213 1.00 0.00 H new ATOM 436 N SER A 33 6.966 -0.209 -0.933 1.00 0.00 N ATOM 437 CA SER A 33 7.171 -1.006 -2.136 1.00 0.00 C ATOM 438 C SER A 33 6.602 -2.411 -1.960 1.00 0.00 C ATOM 439 O SER A 33 7.022 -3.157 -1.075 1.00 0.00 O ATOM 440 CB SER A 33 8.662 -1.086 -2.472 1.00 0.00 C ATOM 441 OG SER A 33 9.292 0.171 -2.295 1.00 0.00 O ATOM 0 H SER A 33 7.095 -0.721 -0.061 1.00 0.00 H new ATOM 0 HA SER A 33 6.646 -0.520 -2.958 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.142 -1.830 -1.836 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.789 -1.418 -3.502 1.00 0.00 H new ATOM 0 HG SER A 33 10.244 0.094 -2.514 1.00 0.00 H new ATOM 447 N LEU A 34 5.644 -2.765 -2.810 1.00 0.00 N ATOM 448 CA LEU A 34 5.016 -4.080 -2.750 1.00 0.00 C ATOM 449 C LEU A 34 4.821 -4.654 -4.149 1.00 0.00 C ATOM 450 O LEU A 34 4.954 -3.945 -5.147 1.00 0.00 O ATOM 451 CB LEU A 34 3.669 -3.991 -2.031 1.00 0.00 C ATOM 452 CG LEU A 34 3.619 -3.073 -0.809 1.00 0.00 C ATOM 453 CD1 LEU A 34 2.184 -2.876 -0.347 1.00 0.00 C ATOM 454 CD2 LEU A 34 4.471 -3.639 0.318 1.00 0.00 C ATOM 0 H LEU A 34 5.285 -2.160 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 34 5.675 -4.745 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.920 -3.651 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.380 -4.994 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 34 4.024 -2.101 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.169 -2.220 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.602 -2.426 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.751 -3.841 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.424 -2.973 1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.096 -4.623 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.505 -3.727 -0.016 1.00 0.00 H new ATOM 466 N CYS A 35 4.504 -5.943 -4.216 1.00 0.00 N ATOM 467 CA CYS A 35 4.288 -6.614 -5.492 1.00 0.00 C ATOM 468 C CYS A 35 2.961 -6.188 -6.113 1.00 0.00 C ATOM 469 O CYS A 35 1.989 -5.923 -5.405 1.00 0.00 O ATOM 470 CB CYS A 35 4.312 -8.132 -5.305 1.00 0.00 C ATOM 471 SG CYS A 35 5.721 -8.737 -4.322 1.00 0.00 S ATOM 0 H CYS A 35 4.391 -6.544 -3.400 1.00 0.00 H new ATOM 0 HA CYS A 35 5.094 -6.325 -6.166 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.386 -8.443 -4.822 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.335 -8.608 -6.285 1.00 0.00 H new ATOM 476 N ARG A 36 2.928 -6.124 -7.440 1.00 0.00 N ATOM 477 CA ARG A 36 1.722 -5.730 -8.157 1.00 0.00 C ATOM 478 C ARG A 36 0.544 -6.619 -7.768 1.00 0.00 C ATOM 479 O ARG A 36 -0.613 -6.207 -7.855 1.00 0.00 O ATOM 480 CB ARG A 36 1.953 -5.803 -9.667 1.00 0.00 C ATOM 481 CG ARG A 36 0.727 -5.442 -10.489 1.00 0.00 C ATOM 482 CD ARG A 36 1.061 -5.329 -11.968 1.00 0.00 C ATOM 483 NE ARG A 36 1.389 -6.625 -12.556 1.00 0.00 N ATOM 484 CZ ARG A 36 0.487 -7.568 -12.806 1.00 0.00 C ATOM 485 NH1 ARG A 36 -0.791 -7.359 -12.520 1.00 0.00 N ATOM 486 NH2 ARG A 36 0.862 -8.722 -13.342 1.00 0.00 N ATOM 0 H ARG A 36 3.724 -6.340 -8.041 1.00 0.00 H new ATOM 0 HA ARG A 36 1.486 -4.702 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.769 -5.132 -9.934 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.271 -6.812 -9.929 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.044 -6.199 -10.346 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.315 -4.497 -10.135 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.214 -4.894 -12.499 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.902 -4.648 -12.099 1.00 0.00 H new ATOM 0 HE ARG A 36 2.364 -6.817 -12.787 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.083 -6.473 -12.107 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.482 -8.084 -12.713 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.844 -8.887 -13.563 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.168 -9.445 -13.533 1.00 0.00 H new ATOM 500 N ALA A 37 0.847 -7.840 -7.341 1.00 0.00 N ATOM 501 CA ALA A 37 -0.186 -8.787 -6.938 1.00 0.00 C ATOM 502 C ALA A 37 -0.608 -8.556 -5.491 1.00 0.00 C ATOM 503 O ALA A 37 -1.797 -8.455 -5.188 1.00 0.00 O ATOM 504 CB ALA A 37 0.304 -10.215 -7.126 1.00 0.00 C ATOM 0 H ALA A 37 1.799 -8.197 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.058 -8.628 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.478 -10.911 -6.821 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.548 -10.381 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.193 -10.378 -6.516 1.00 0.00 H new ATOM 510 N CYS A 38 0.374 -8.476 -4.599 1.00 0.00 N ATOM 511 CA CYS A 38 0.106 -8.258 -3.183 1.00 0.00 C ATOM 512 C CYS A 38 -0.794 -7.043 -2.980 1.00 0.00 C ATOM 513 O CYS A 38 -1.605 -7.007 -2.054 1.00 0.00 O ATOM 514 CB CYS A 38 1.417 -8.069 -2.417 1.00 0.00 C ATOM 515 SG CYS A 38 2.487 -9.543 -2.399 1.00 0.00 S ATOM 0 H CYS A 38 1.363 -8.559 -4.833 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.409 -9.138 -2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.968 -7.239 -2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.188 -7.787 -1.389 1.00 0.00 H new ATOM 520 N ILE A 39 -0.645 -6.051 -3.851 1.00 0.00 N ATOM 521 CA ILE A 39 -1.445 -4.836 -3.768 1.00 0.00 C ATOM 522 C ILE A 39 -2.881 -5.092 -4.212 1.00 0.00 C ATOM 523 O ILE A 39 -3.824 -4.518 -3.665 1.00 0.00 O ATOM 524 CB ILE A 39 -0.847 -3.708 -4.630 1.00 0.00 C ATOM 525 CG1 ILE A 39 0.586 -3.404 -4.187 1.00 0.00 C ATOM 526 CG2 ILE A 39 -1.711 -2.459 -4.541 1.00 0.00 C ATOM 527 CD1 ILE A 39 1.387 -2.639 -5.217 1.00 0.00 C ATOM 0 H ILE A 39 0.022 -6.065 -4.622 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.440 -4.526 -2.723 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.824 -4.037 -5.669 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.557 -2.830 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.096 -4.342 -3.965 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.276 -1.671 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.715 -2.685 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.762 -2.125 -3.505 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.392 -2.459 -4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.447 -3.221 -6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.900 -1.686 -5.422 1.00 0.00 H new ATOM 539 N THR A 40 -3.042 -5.959 -5.207 1.00 0.00 N ATOM 540 CA THR A 40 -4.363 -6.292 -5.724 1.00 0.00 C ATOM 541 C THR A 40 -5.108 -7.222 -4.773 1.00 0.00 C ATOM 542 O THR A 40 -4.496 -8.027 -4.071 1.00 0.00 O ATOM 543 CB THR A 40 -4.272 -6.960 -7.110 1.00 0.00 C ATOM 544 OG1 THR A 40 -3.466 -6.163 -7.985 1.00 0.00 O ATOM 545 CG2 THR A 40 -5.656 -7.144 -7.714 1.00 0.00 C ATOM 0 H THR A 40 -2.273 -6.443 -5.671 1.00 0.00 H new ATOM 0 HA THR A 40 -4.912 -5.355 -5.815 1.00 0.00 H new ATOM 0 HB THR A 40 -3.814 -7.941 -6.987 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.518 -6.326 -7.796 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.566 -7.617 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.258 -7.775 -7.060 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.137 -6.172 -7.824 1.00 0.00 H new ATOM 553 N VAL A 41 -6.432 -7.106 -4.756 1.00 0.00 N ATOM 554 CA VAL A 41 -7.260 -7.938 -3.891 1.00 0.00 C ATOM 555 C VAL A 41 -7.152 -9.409 -4.276 1.00 0.00 C ATOM 556 O VAL A 41 -6.498 -9.758 -5.259 1.00 0.00 O ATOM 557 CB VAL A 41 -8.739 -7.511 -3.951 1.00 0.00 C ATOM 558 CG1 VAL A 41 -8.910 -6.101 -3.406 1.00 0.00 C ATOM 559 CG2 VAL A 41 -9.264 -7.608 -5.375 1.00 0.00 C ATOM 0 H VAL A 41 -6.954 -6.445 -5.331 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.891 -7.803 -2.874 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.321 -8.189 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.961 -5.816 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.574 -6.068 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.317 -5.406 -4.001 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.310 -7.303 -5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.680 -6.954 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.178 -8.637 -5.725 1.00 0.00 H new ATOM 569 N SER A 42 -7.798 -10.269 -3.495 1.00 0.00 N ATOM 570 CA SER A 42 -7.772 -11.704 -3.752 1.00 0.00 C ATOM 571 C SER A 42 -9.183 -12.283 -3.744 1.00 0.00 C ATOM 572 O SER A 42 -9.959 -12.044 -2.820 1.00 0.00 O ATOM 573 CB SER A 42 -6.910 -12.415 -2.707 1.00 0.00 C ATOM 574 OG SER A 42 -6.517 -13.700 -3.158 1.00 0.00 O ATOM 0 H SER A 42 -8.346 -9.997 -2.679 1.00 0.00 H new ATOM 0 HA SER A 42 -7.339 -11.864 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.025 -11.815 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.466 -12.508 -1.774 1.00 0.00 H new ATOM 0 HG SER A 42 -5.966 -14.133 -2.473 1.00 0.00 H new ATOM 580 N ASN A 43 -9.509 -13.047 -4.782 1.00 0.00 N ATOM 581 CA ASN A 43 -10.827 -13.661 -4.896 1.00 0.00 C ATOM 582 C ASN A 43 -10.936 -14.887 -3.995 1.00 0.00 C ATOM 583 O ASN A 43 -10.061 -15.754 -3.999 1.00 0.00 O ATOM 584 CB ASN A 43 -11.105 -14.055 -6.348 1.00 0.00 C ATOM 585 CG ASN A 43 -11.419 -12.856 -7.223 1.00 0.00 C ATOM 586 OD1 ASN A 43 -12.575 -12.608 -7.564 1.00 0.00 O ATOM 587 ND2 ASN A 43 -10.386 -12.105 -7.590 1.00 0.00 N ATOM 0 H ASN A 43 -8.878 -13.256 -5.556 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.570 -12.930 -4.576 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.239 -14.579 -6.752 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.942 -14.753 -6.378 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.535 -11.285 -8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.444 -12.348 -7.284 1.00 0.00 H new ATOM 594 N LYS A 44 -12.015 -14.953 -3.223 1.00 0.00 N ATOM 595 CA LYS A 44 -12.241 -16.073 -2.318 1.00 0.00 C ATOM 596 C LYS A 44 -13.729 -16.391 -2.206 1.00 0.00 C ATOM 597 O LYS A 44 -14.568 -15.492 -2.231 1.00 0.00 O ATOM 598 CB LYS A 44 -11.670 -15.759 -0.933 1.00 0.00 C ATOM 599 CG LYS A 44 -12.374 -14.611 -0.231 1.00 0.00 C ATOM 600 CD LYS A 44 -12.012 -14.552 1.243 1.00 0.00 C ATOM 601 CE LYS A 44 -10.602 -14.021 1.450 1.00 0.00 C ATOM 602 NZ LYS A 44 -10.337 -13.693 2.879 1.00 0.00 N ATOM 0 H LYS A 44 -12.747 -14.243 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.731 -16.946 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.738 -16.651 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.611 -15.519 -1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.104 -13.670 -0.711 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.453 -14.725 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.723 -13.914 1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.095 -15.548 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.881 -14.763 1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.456 -13.130 0.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.366 -13.334 2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.009 -12.966 3.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.451 -14.549 3.459 1.00 0.00 H new ATOM 616 N GLU A 45 -14.047 -17.676 -2.081 1.00 0.00 N ATOM 617 CA GLU A 45 -15.434 -18.111 -1.965 1.00 0.00 C ATOM 618 C GLU A 45 -16.024 -17.694 -0.621 1.00 0.00 C ATOM 619 O GLU A 45 -17.226 -17.459 -0.504 1.00 0.00 O ATOM 620 CB GLU A 45 -15.532 -19.629 -2.129 1.00 0.00 C ATOM 621 CG GLU A 45 -15.508 -20.088 -3.577 1.00 0.00 C ATOM 622 CD GLU A 45 -15.089 -21.538 -3.723 1.00 0.00 C ATOM 623 OE1 GLU A 45 -15.855 -22.424 -3.291 1.00 0.00 O ATOM 624 OE2 GLU A 45 -13.994 -21.786 -4.270 1.00 0.00 O ATOM 0 H GLU A 45 -13.364 -18.433 -2.058 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.006 -17.630 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.706 -20.098 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.453 -19.978 -1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.498 -19.954 -4.013 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.823 -19.457 -4.143 1.00 0.00 H new ATOM 631 N ALA A 46 -15.168 -17.605 0.392 1.00 0.00 N ATOM 632 CA ALA A 46 -15.603 -17.216 1.728 1.00 0.00 C ATOM 633 C ALA A 46 -16.403 -15.919 1.688 1.00 0.00 C ATOM 634 O ALA A 46 -15.931 -14.902 1.179 1.00 0.00 O ATOM 635 CB ALA A 46 -14.403 -17.071 2.652 1.00 0.00 C ATOM 0 H ALA A 46 -14.169 -17.797 0.313 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.253 -18.001 2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.742 -16.780 3.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.874 -18.022 2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.732 -16.307 2.260 1.00 0.00 H new ATOM 641 N VAL A 47 -17.617 -15.960 2.228 1.00 0.00 N ATOM 642 CA VAL A 47 -18.483 -14.787 2.255 1.00 0.00 C ATOM 643 C VAL A 47 -17.887 -13.684 3.121 1.00 0.00 C ATOM 644 O VAL A 47 -17.889 -13.773 4.350 1.00 0.00 O ATOM 645 CB VAL A 47 -19.887 -15.138 2.783 1.00 0.00 C ATOM 646 CG1 VAL A 47 -20.827 -13.952 2.629 1.00 0.00 C ATOM 647 CG2 VAL A 47 -20.436 -16.361 2.065 1.00 0.00 C ATOM 0 H VAL A 47 -18.023 -16.794 2.653 1.00 0.00 H new ATOM 0 HA VAL A 47 -18.568 -14.432 1.228 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.809 -15.374 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -21.814 -14.218 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -20.439 -13.104 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -20.903 -13.682 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -21.428 -16.594 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -20.501 -16.157 0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -19.773 -17.210 2.233 1.00 0.00 H new ATOM 657 N THR A 48 -17.375 -12.642 2.474 1.00 0.00 N ATOM 658 CA THR A 48 -16.774 -11.520 3.184 1.00 0.00 C ATOM 659 C THR A 48 -17.824 -10.478 3.554 1.00 0.00 C ATOM 660 O THR A 48 -18.990 -10.598 3.180 1.00 0.00 O ATOM 661 CB THR A 48 -15.673 -10.847 2.343 1.00 0.00 C ATOM 662 OG1 THR A 48 -16.185 -10.502 1.051 1.00 0.00 O ATOM 663 CG2 THR A 48 -14.472 -11.768 2.189 1.00 0.00 C ATOM 0 H THR A 48 -17.365 -12.552 1.458 1.00 0.00 H new ATOM 0 HA THR A 48 -16.330 -11.923 4.094 1.00 0.00 H new ATOM 0 HB THR A 48 -15.354 -9.942 2.860 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.479 -10.073 0.523 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.707 -11.272 1.592 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.067 -12.005 3.173 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.780 -12.688 1.692 1.00 0.00 H new ATOM 671 N SER A 49 -17.401 -9.454 4.290 1.00 0.00 N ATOM 672 CA SER A 49 -18.306 -8.392 4.712 1.00 0.00 C ATOM 673 C SER A 49 -18.419 -7.315 3.638 1.00 0.00 C ATOM 674 O SER A 49 -17.608 -7.257 2.714 1.00 0.00 O ATOM 675 CB SER A 49 -17.820 -7.771 6.023 1.00 0.00 C ATOM 676 OG SER A 49 -18.007 -8.661 7.110 1.00 0.00 O ATOM 0 H SER A 49 -16.438 -9.338 4.606 1.00 0.00 H new ATOM 0 HA SER A 49 -19.292 -8.830 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 49 -16.764 -7.513 5.937 1.00 0.00 H new ATOM 0 HB3 SER A 49 -18.360 -6.843 6.212 1.00 0.00 H new ATOM 0 HG SER A 49 -17.687 -8.241 7.936 1.00 0.00 H new ATOM 682 N MET A 50 -19.432 -6.464 3.766 1.00 0.00 N ATOM 683 CA MET A 50 -19.652 -5.388 2.807 1.00 0.00 C ATOM 684 C MET A 50 -18.519 -4.368 2.865 1.00 0.00 C ATOM 685 O MET A 50 -18.338 -3.684 3.871 1.00 0.00 O ATOM 686 CB MET A 50 -20.989 -4.698 3.080 1.00 0.00 C ATOM 687 CG MET A 50 -21.511 -3.894 1.899 1.00 0.00 C ATOM 688 SD MET A 50 -22.244 -4.934 0.621 1.00 0.00 S ATOM 689 CE MET A 50 -22.900 -3.692 -0.490 1.00 0.00 C ATOM 0 H MET A 50 -20.113 -6.499 4.524 1.00 0.00 H new ATOM 0 HA MET A 50 -19.674 -5.824 1.808 1.00 0.00 H new ATOM 0 HB2 MET A 50 -21.729 -5.451 3.351 1.00 0.00 H new ATOM 0 HB3 MET A 50 -20.878 -4.036 3.939 1.00 0.00 H new ATOM 0 HG2 MET A 50 -22.255 -3.179 2.251 1.00 0.00 H new ATOM 0 HG3 MET A 50 -20.693 -3.317 1.468 1.00 0.00 H new ATOM 0 HE1 MET A 50 -23.386 -4.180 -1.335 1.00 0.00 H new ATOM 0 HE2 MET A 50 -23.626 -3.076 0.041 1.00 0.00 H new ATOM 0 HE3 MET A 50 -22.087 -3.063 -0.853 1.00 0.00 H new ATOM 699 N GLY A 51 -17.758 -4.272 1.778 1.00 0.00 N ATOM 700 CA GLY A 51 -16.653 -3.333 1.727 1.00 0.00 C ATOM 701 C GLY A 51 -15.364 -3.980 1.259 1.00 0.00 C ATOM 702 O GLY A 51 -15.357 -5.141 0.852 1.00 0.00 O ATOM 0 H GLY A 51 -17.888 -4.828 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.908 -2.512 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.501 -2.901 2.716 1.00 0.00 H new ATOM 706 N GLY A 52 -14.271 -3.226 1.314 1.00 0.00 N ATOM 707 CA GLY A 52 -12.986 -3.749 0.887 1.00 0.00 C ATOM 708 C GLY A 52 -12.135 -2.702 0.197 1.00 0.00 C ATOM 709 O GLY A 52 -12.491 -2.208 -0.874 1.00 0.00 O ATOM 0 H GLY A 52 -14.252 -2.262 1.647 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.449 -4.136 1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.145 -4.588 0.209 1.00 0.00 H new ATOM 713 N LYS A 53 -11.006 -2.361 0.810 1.00 0.00 N ATOM 714 CA LYS A 53 -10.101 -1.366 0.248 1.00 0.00 C ATOM 715 C LYS A 53 -8.649 -1.818 0.376 1.00 0.00 C ATOM 716 O LYS A 53 -8.206 -2.218 1.453 1.00 0.00 O ATOM 717 CB LYS A 53 -10.291 -0.020 0.950 1.00 0.00 C ATOM 718 CG LYS A 53 -9.398 1.082 0.405 1.00 0.00 C ATOM 719 CD LYS A 53 -9.974 1.690 -0.863 1.00 0.00 C ATOM 720 CE LYS A 53 -8.877 2.210 -1.779 1.00 0.00 C ATOM 721 NZ LYS A 53 -9.402 3.184 -2.776 1.00 0.00 N ATOM 0 H LYS A 53 -10.696 -2.760 1.696 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.336 -1.253 -0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.332 0.287 0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.093 -0.144 2.015 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.276 1.859 1.159 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.406 0.679 0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.566 0.942 -1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.649 2.505 -0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.100 2.686 -1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.411 1.373 -2.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.624 3.515 -3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.126 2.723 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.824 3.995 -2.280 1.00 0.00 H new ATOM 735 N SER A 54 -7.913 -1.749 -0.728 1.00 0.00 N ATOM 736 CA SER A 54 -6.512 -2.153 -0.740 1.00 0.00 C ATOM 737 C SER A 54 -5.609 -0.995 -0.328 1.00 0.00 C ATOM 738 O SER A 54 -5.552 0.033 -1.003 1.00 0.00 O ATOM 739 CB SER A 54 -6.115 -2.655 -2.130 1.00 0.00 C ATOM 740 OG SER A 54 -7.173 -3.380 -2.732 1.00 0.00 O ATOM 0 H SER A 54 -8.264 -1.417 -1.626 1.00 0.00 H new ATOM 0 HA SER A 54 -6.387 -2.962 -0.020 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.844 -1.809 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.233 -3.290 -2.052 1.00 0.00 H new ATOM 0 HG SER A 54 -6.895 -3.688 -3.620 1.00 0.00 H new ATOM 746 N SER A 55 -4.905 -1.169 0.786 1.00 0.00 N ATOM 747 CA SER A 55 -4.007 -0.137 1.292 1.00 0.00 C ATOM 748 C SER A 55 -2.748 -0.758 1.889 1.00 0.00 C ATOM 749 O SER A 55 -2.753 -1.913 2.315 1.00 0.00 O ATOM 750 CB SER A 55 -4.718 0.716 2.345 1.00 0.00 C ATOM 751 OG SER A 55 -4.279 2.062 2.291 1.00 0.00 O ATOM 0 H SER A 55 -4.939 -2.015 1.355 1.00 0.00 H new ATOM 0 HA SER A 55 -3.716 0.499 0.456 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.795 0.675 2.184 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.528 0.308 3.338 1.00 0.00 H new ATOM 0 HG SER A 55 -3.393 2.134 2.704 1.00 0.00 H new ATOM 757 N CYS A 56 -1.669 0.018 1.916 1.00 0.00 N ATOM 758 CA CYS A 56 -0.401 -0.453 2.460 1.00 0.00 C ATOM 759 C CYS A 56 -0.595 -1.058 3.847 1.00 0.00 C ATOM 760 O CYS A 56 -0.853 -0.357 4.826 1.00 0.00 O ATOM 761 CB CYS A 56 0.607 0.696 2.528 1.00 0.00 C ATOM 762 SG CYS A 56 2.316 0.166 2.872 1.00 0.00 S ATOM 0 H CYS A 56 -1.648 0.976 1.567 1.00 0.00 H new ATOM 0 HA CYS A 56 -0.015 -1.227 1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.589 1.237 1.582 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.292 1.396 3.302 1.00 0.00 H new ATOM 767 N PRO A 57 -0.469 -2.390 3.935 1.00 0.00 N ATOM 768 CA PRO A 57 -0.625 -3.119 5.197 1.00 0.00 C ATOM 769 C PRO A 57 0.519 -2.848 6.169 1.00 0.00 C ATOM 770 O PRO A 57 0.459 -3.233 7.336 1.00 0.00 O ATOM 771 CB PRO A 57 -0.621 -4.587 4.762 1.00 0.00 C ATOM 772 CG PRO A 57 0.137 -4.600 3.480 1.00 0.00 C ATOM 773 CD PRO A 57 -0.162 -3.288 2.809 1.00 0.00 C ATOM 0 HA PRO A 57 -1.527 -2.821 5.731 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.144 -5.220 5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.635 -4.962 4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.206 -4.712 3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.170 -5.438 2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.689 -2.930 2.230 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.003 -3.371 2.121 1.00 0.00 H new ATOM 781 N VAL A 58 1.560 -2.182 5.679 1.00 0.00 N ATOM 782 CA VAL A 58 2.717 -1.858 6.505 1.00 0.00 C ATOM 783 C VAL A 58 2.424 -0.675 7.421 1.00 0.00 C ATOM 784 O VAL A 58 2.330 -0.828 8.639 1.00 0.00 O ATOM 785 CB VAL A 58 3.949 -1.531 5.640 1.00 0.00 C ATOM 786 CG1 VAL A 58 5.189 -1.388 6.510 1.00 0.00 C ATOM 787 CG2 VAL A 58 4.154 -2.601 4.578 1.00 0.00 C ATOM 0 H VAL A 58 1.626 -1.856 4.715 1.00 0.00 H new ATOM 0 HA VAL A 58 2.931 -2.738 7.111 1.00 0.00 H new ATOM 0 HB VAL A 58 3.775 -0.580 5.136 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.049 -1.157 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.038 -0.583 7.229 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.369 -2.322 7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.029 -2.354 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.306 -3.567 5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.274 -2.650 3.936 1.00 0.00 H new ATOM 797 N CYS A 59 2.281 0.505 6.827 1.00 0.00 N ATOM 798 CA CYS A 59 1.999 1.715 7.589 1.00 0.00 C ATOM 799 C CYS A 59 0.498 1.878 7.815 1.00 0.00 C ATOM 800 O CYS A 59 0.068 2.410 8.838 1.00 0.00 O ATOM 801 CB CYS A 59 2.552 2.942 6.860 1.00 0.00 C ATOM 802 SG CYS A 59 1.864 3.188 5.191 1.00 0.00 S ATOM 0 H CYS A 59 2.356 0.649 5.820 1.00 0.00 H new ATOM 0 HA CYS A 59 2.487 1.626 8.559 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.349 3.829 7.459 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.635 2.849 6.785 1.00 0.00 H new ATOM 807 N GLY A 60 -0.294 1.416 6.852 1.00 0.00 N ATOM 808 CA GLY A 60 -1.737 1.519 6.965 1.00 0.00 C ATOM 809 C GLY A 60 -2.241 2.921 6.686 1.00 0.00 C ATOM 810 O GLY A 60 -2.713 3.610 7.592 1.00 0.00 O ATOM 0 H GLY A 60 0.038 0.972 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.204 0.823 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.042 1.219 7.967 1.00 0.00 H new ATOM 814 N ILE A 61 -2.141 3.345 5.431 1.00 0.00 N ATOM 815 CA ILE A 61 -2.591 4.674 5.036 1.00 0.00 C ATOM 816 C ILE A 61 -3.237 4.648 3.656 1.00 0.00 C ATOM 817 O ILE A 61 -2.628 4.206 2.682 1.00 0.00 O ATOM 818 CB ILE A 61 -1.426 5.682 5.027 1.00 0.00 C ATOM 819 CG1 ILE A 61 -0.754 5.732 6.400 1.00 0.00 C ATOM 820 CG2 ILE A 61 -1.924 7.063 4.624 1.00 0.00 C ATOM 821 CD1 ILE A 61 0.516 6.552 6.422 1.00 0.00 C ATOM 0 H ILE A 61 -1.752 2.788 4.670 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.329 4.990 5.773 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.688 5.355 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.456 6.145 7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.526 4.716 6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.090 7.764 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.360 7.016 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.679 7.399 5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.938 6.543 7.427 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.236 6.127 5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.291 7.578 6.132 1.00 0.00 H new ATOM 833 N SER A 62 -4.475 5.126 3.579 1.00 0.00 N ATOM 834 CA SER A 62 -5.206 5.156 2.318 1.00 0.00 C ATOM 835 C SER A 62 -4.499 6.048 1.301 1.00 0.00 C ATOM 836 O SER A 62 -4.202 7.210 1.578 1.00 0.00 O ATOM 837 CB SER A 62 -6.635 5.655 2.544 1.00 0.00 C ATOM 838 OG SER A 62 -6.683 6.607 3.592 1.00 0.00 O ATOM 0 H SER A 62 -4.993 5.498 4.375 1.00 0.00 H new ATOM 0 HA SER A 62 -5.241 4.141 1.923 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.017 6.101 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.284 4.813 2.784 1.00 0.00 H new ATOM 0 HG SER A 62 -7.606 6.911 3.715 1.00 0.00 H new ATOM 844 N TYR A 63 -4.233 5.494 0.123 1.00 0.00 N ATOM 845 CA TYR A 63 -3.558 6.236 -0.935 1.00 0.00 C ATOM 846 C TYR A 63 -4.466 6.400 -2.150 1.00 0.00 C ATOM 847 O TYR A 63 -5.608 5.939 -2.152 1.00 0.00 O ATOM 848 CB TYR A 63 -2.266 5.525 -1.342 1.00 0.00 C ATOM 849 CG TYR A 63 -2.475 4.091 -1.774 1.00 0.00 C ATOM 850 CD1 TYR A 63 -3.030 3.792 -3.012 1.00 0.00 C ATOM 851 CD2 TYR A 63 -2.118 3.036 -0.944 1.00 0.00 C ATOM 852 CE1 TYR A 63 -3.223 2.484 -3.411 1.00 0.00 C ATOM 853 CE2 TYR A 63 -2.305 1.725 -1.335 1.00 0.00 C ATOM 854 CZ TYR A 63 -2.858 1.454 -2.569 1.00 0.00 C ATOM 855 OH TYR A 63 -3.049 0.148 -2.962 1.00 0.00 O ATOM 0 H TYR A 63 -4.475 4.534 -0.123 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.314 7.226 -0.550 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.799 6.077 -2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.570 5.545 -0.503 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.315 4.596 -3.674 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.687 3.245 0.024 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.657 2.269 -4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.020 0.916 -0.678 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.656 0.123 -3.731 1.00 0.00 H new ATOM 865 N SER A 64 -3.950 7.059 -3.182 1.00 0.00 N ATOM 866 CA SER A 64 -4.714 7.286 -4.403 1.00 0.00 C ATOM 867 C SER A 64 -4.042 6.617 -5.598 1.00 0.00 C ATOM 868 O SER A 64 -2.863 6.846 -5.870 1.00 0.00 O ATOM 869 CB SER A 64 -4.865 8.787 -4.663 1.00 0.00 C ATOM 870 OG SER A 64 -5.290 9.466 -3.495 1.00 0.00 O ATOM 0 H SER A 64 -3.006 7.445 -3.197 1.00 0.00 H new ATOM 0 HA SER A 64 -5.702 6.845 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.914 9.198 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.585 8.950 -5.465 1.00 0.00 H new ATOM 0 HG SER A 64 -5.377 10.423 -3.687 1.00 0.00 H new ATOM 876 N PHE A 65 -4.800 5.788 -6.308 1.00 0.00 N ATOM 877 CA PHE A 65 -4.279 5.083 -7.473 1.00 0.00 C ATOM 878 C PHE A 65 -4.003 6.054 -8.617 1.00 0.00 C ATOM 879 O PHE A 65 -2.990 5.944 -9.307 1.00 0.00 O ATOM 880 CB PHE A 65 -5.267 4.007 -7.929 1.00 0.00 C ATOM 881 CG PHE A 65 -5.228 2.763 -7.088 1.00 0.00 C ATOM 882 CD1 PHE A 65 -4.304 1.764 -7.348 1.00 0.00 C ATOM 883 CD2 PHE A 65 -6.116 2.593 -6.038 1.00 0.00 C ATOM 884 CE1 PHE A 65 -4.266 0.618 -6.577 1.00 0.00 C ATOM 885 CE2 PHE A 65 -6.082 1.449 -5.263 1.00 0.00 C ATOM 886 CZ PHE A 65 -5.157 0.460 -5.533 1.00 0.00 C ATOM 0 H PHE A 65 -5.778 5.588 -6.097 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.340 4.607 -7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.276 4.419 -7.908 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.052 3.743 -8.964 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.605 1.882 -8.163 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.842 3.363 -5.823 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.541 -0.153 -6.790 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.779 1.329 -4.447 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.130 -0.435 -4.929 1.00 0.00 H new ATOM 896 N GLU A 66 -4.913 7.003 -8.812 1.00 0.00 N ATOM 897 CA GLU A 66 -4.768 7.992 -9.874 1.00 0.00 C ATOM 898 C GLU A 66 -3.480 8.791 -9.701 1.00 0.00 C ATOM 899 O GLU A 66 -2.903 9.279 -10.674 1.00 0.00 O ATOM 900 CB GLU A 66 -5.970 8.939 -9.886 1.00 0.00 C ATOM 901 CG GLU A 66 -7.301 8.231 -10.078 1.00 0.00 C ATOM 902 CD GLU A 66 -7.665 8.059 -11.539 1.00 0.00 C ATOM 903 OE1 GLU A 66 -8.145 9.038 -12.150 1.00 0.00 O ATOM 904 OE2 GLU A 66 -7.472 6.947 -12.073 1.00 0.00 O ATOM 0 H GLU A 66 -5.757 7.108 -8.249 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.722 7.462 -10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.995 9.493 -8.948 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.838 9.670 -10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.260 7.252 -9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.085 8.798 -9.576 1.00 0.00 H new ATOM 911 N HIS A 67 -3.033 8.921 -8.456 1.00 0.00 N ATOM 912 CA HIS A 67 -1.812 9.660 -8.155 1.00 0.00 C ATOM 913 C HIS A 67 -0.586 8.923 -8.683 1.00 0.00 C ATOM 914 O HIS A 67 0.327 9.534 -9.240 1.00 0.00 O ATOM 915 CB HIS A 67 -1.681 9.878 -6.647 1.00 0.00 C ATOM 916 CG HIS A 67 -2.484 11.035 -6.137 1.00 0.00 C ATOM 917 ND1 HIS A 67 -2.571 11.358 -4.799 1.00 0.00 N ATOM 918 CD2 HIS A 67 -3.236 11.949 -6.793 1.00 0.00 C ATOM 919 CE1 HIS A 67 -3.344 12.420 -4.655 1.00 0.00 C ATOM 920 NE2 HIS A 67 -3.760 12.798 -5.850 1.00 0.00 N ATOM 0 H HIS A 67 -3.498 8.524 -7.639 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.872 10.629 -8.651 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.995 8.972 -6.129 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.631 10.038 -6.401 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.394 12.001 -7.860 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.593 12.898 -3.719 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -4.371 13.592 -6.041 1.00 0.00 H new ATOM 928 N LEU A 68 -0.571 7.606 -8.504 1.00 0.00 N ATOM 929 CA LEU A 68 0.544 6.784 -8.962 1.00 0.00 C ATOM 930 C LEU A 68 0.767 6.956 -10.461 1.00 0.00 C ATOM 931 O LEU A 68 1.905 7.026 -10.925 1.00 0.00 O ATOM 932 CB LEU A 68 0.284 5.312 -8.638 1.00 0.00 C ATOM 933 CG LEU A 68 0.763 4.832 -7.268 1.00 0.00 C ATOM 934 CD1 LEU A 68 -0.252 5.189 -6.193 1.00 0.00 C ATOM 935 CD2 LEU A 68 1.017 3.331 -7.287 1.00 0.00 C ATOM 0 H LEU A 68 -1.318 7.085 -8.045 1.00 0.00 H new ATOM 0 HA LEU A 68 1.444 7.111 -8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.788 5.129 -8.711 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.764 4.702 -9.403 1.00 0.00 H new ATOM 0 HG LEU A 68 1.701 5.336 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.106 4.840 -5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.384 6.271 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.206 4.713 -6.421 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.357 3.007 -6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.095 2.809 -7.542 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.781 3.101 -8.029 1.00 0.00 H new ATOM 947 N GLN A 69 -0.327 7.024 -11.213 1.00 0.00 N ATOM 948 CA GLN A 69 -0.250 7.188 -12.660 1.00 0.00 C ATOM 949 C GLN A 69 -0.939 8.476 -13.099 1.00 0.00 C ATOM 950 O GLN A 69 -2.066 8.451 -13.593 1.00 0.00 O ATOM 951 CB GLN A 69 -0.886 5.990 -13.365 1.00 0.00 C ATOM 952 CG GLN A 69 -0.030 4.734 -13.323 1.00 0.00 C ATOM 953 CD GLN A 69 -0.651 3.579 -14.083 1.00 0.00 C ATOM 954 OE1 GLN A 69 -0.321 3.337 -15.245 1.00 0.00 O ATOM 955 NE2 GLN A 69 -1.554 2.857 -13.430 1.00 0.00 N ATOM 0 H GLN A 69 -1.276 6.968 -10.845 1.00 0.00 H new ATOM 0 HA GLN A 69 0.802 7.247 -12.938 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.851 5.778 -12.904 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.081 6.252 -14.405 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.952 4.954 -13.742 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.125 4.439 -12.285 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.797 3.093 -12.468 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -2.004 2.066 -13.890 1.00 0.00 H new ATOM 964 N ALA A 70 -0.255 9.600 -12.914 1.00 0.00 N ATOM 965 CA ALA A 70 -0.801 10.898 -13.292 1.00 0.00 C ATOM 966 C ALA A 70 0.165 11.658 -14.194 1.00 0.00 C ATOM 967 O ALA A 70 -0.241 12.262 -15.185 1.00 0.00 O ATOM 968 CB ALA A 70 -1.123 11.717 -12.051 1.00 0.00 C ATOM 0 H ALA A 70 0.678 9.638 -12.505 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.722 10.729 -13.851 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.530 12.684 -12.348 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.857 11.186 -11.445 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.214 11.869 -11.470 1.00 0.00 H new ATOM 974 N ASN A 71 1.447 11.625 -13.842 1.00 0.00 N ATOM 975 CA ASN A 71 2.471 12.312 -14.619 1.00 0.00 C ATOM 976 C ASN A 71 3.734 11.464 -14.726 1.00 0.00 C ATOM 977 O ASN A 71 3.875 10.455 -14.035 1.00 0.00 O ATOM 978 CB ASN A 71 2.803 13.663 -13.982 1.00 0.00 C ATOM 979 CG ASN A 71 3.666 13.522 -12.743 1.00 0.00 C ATOM 980 OD1 ASN A 71 3.664 12.480 -12.088 1.00 0.00 O ATOM 981 ND2 ASN A 71 4.409 14.573 -12.417 1.00 0.00 N ATOM 0 H ASN A 71 1.800 11.130 -13.023 1.00 0.00 H new ATOM 0 HA ASN A 71 2.080 12.477 -15.623 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.318 14.288 -14.711 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.877 14.175 -13.720 1.00 0.00 H new ATOM 0 HD21 ASN A 71 5.010 14.537 -11.594 1.00 0.00 H new ATOM 0 HD22 ASN A 71 4.379 15.416 -12.990 1.00 0.00 H new ATOM 988 N GLN A 72 4.649 11.880 -15.596 1.00 0.00 N ATOM 989 CA GLN A 72 5.900 11.158 -15.793 1.00 0.00 C ATOM 990 C GLN A 72 7.051 12.124 -16.051 1.00 0.00 C ATOM 991 O GLN A 72 6.863 13.341 -16.065 1.00 0.00 O ATOM 992 CB GLN A 72 5.769 10.178 -16.960 1.00 0.00 C ATOM 993 CG GLN A 72 5.112 8.861 -16.578 1.00 0.00 C ATOM 994 CD GLN A 72 5.421 7.748 -17.559 1.00 0.00 C ATOM 995 OE1 GLN A 72 5.467 7.967 -18.770 1.00 0.00 O ATOM 996 NE2 GLN A 72 5.637 6.545 -17.041 1.00 0.00 N ATOM 0 H GLN A 72 4.547 12.713 -16.175 1.00 0.00 H new ATOM 0 HA GLN A 72 6.116 10.600 -14.882 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.188 10.647 -17.754 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.760 9.976 -17.367 1.00 0.00 H new ATOM 0 HG2 GLN A 72 5.448 8.567 -15.584 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.032 9.001 -16.522 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.589 6.408 -16.031 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.851 5.757 -17.653 1.00 0.00 H new ATOM 1005 N HIS A 73 8.245 11.574 -16.255 1.00 0.00 N ATOM 1006 CA HIS A 73 9.427 12.388 -16.513 1.00 0.00 C ATOM 1007 C HIS A 73 10.529 11.555 -17.162 1.00 0.00 C ATOM 1008 O HIS A 73 10.710 10.382 -16.832 1.00 0.00 O ATOM 1009 CB HIS A 73 9.939 13.008 -15.213 1.00 0.00 C ATOM 1010 CG HIS A 73 10.693 14.286 -15.415 1.00 0.00 C ATOM 1011 ND1 HIS A 73 10.100 15.447 -15.865 1.00 0.00 N ATOM 1012 CD2 HIS A 73 12.000 14.583 -15.225 1.00 0.00 C ATOM 1013 CE1 HIS A 73 11.009 16.402 -15.944 1.00 0.00 C ATOM 1014 NE2 HIS A 73 12.171 15.904 -15.561 1.00 0.00 N ATOM 0 H HIS A 73 8.419 10.569 -16.246 1.00 0.00 H new ATOM 0 HA HIS A 73 9.146 13.186 -17.201 1.00 0.00 H new ATOM 0 HB2 HIS A 73 9.093 13.196 -14.552 1.00 0.00 H new ATOM 0 HB3 HIS A 73 10.585 12.290 -14.708 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.766 13.907 -14.874 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.832 17.417 -16.267 1.00 0.00 H new ATOM 0 HE2 HIS A 73 13.052 16.417 -15.521 1.00 0.00 H new ATOM 1022 N LEU A 74 11.261 12.168 -18.085 1.00 0.00 N ATOM 1023 CA LEU A 74 12.345 11.482 -18.781 1.00 0.00 C ATOM 1024 C LEU A 74 13.610 11.460 -17.929 1.00 0.00 C ATOM 1025 O LEU A 74 14.176 10.399 -17.668 1.00 0.00 O ATOM 1026 CB LEU A 74 12.629 12.164 -20.120 1.00 0.00 C ATOM 1027 CG LEU A 74 11.666 11.832 -21.260 1.00 0.00 C ATOM 1028 CD1 LEU A 74 10.403 12.673 -21.154 1.00 0.00 C ATOM 1029 CD2 LEU A 74 12.341 12.047 -22.607 1.00 0.00 C ATOM 0 H LEU A 74 11.124 13.138 -18.369 1.00 0.00 H new ATOM 0 HA LEU A 74 12.034 10.453 -18.963 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.618 13.243 -19.965 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.638 11.897 -20.434 1.00 0.00 H new ATOM 0 HG LEU A 74 11.386 10.782 -21.180 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.730 12.423 -21.974 1.00 0.00 H new ATOM 0 HD12 LEU A 74 9.909 12.470 -20.204 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.664 13.730 -21.208 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.641 11.806 -23.407 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.650 13.088 -22.697 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.216 11.401 -22.683 1.00 0.00 H new ATOM 1041 N ALA A 75 14.048 12.639 -17.498 1.00 0.00 N ATOM 1042 CA ALA A 75 15.244 12.754 -16.673 1.00 0.00 C ATOM 1043 C ALA A 75 15.346 14.140 -16.045 1.00 0.00 C ATOM 1044 O ALA A 75 14.704 15.086 -16.499 1.00 0.00 O ATOM 1045 CB ALA A 75 16.486 12.454 -17.498 1.00 0.00 C ATOM 0 H ALA A 75 13.592 13.527 -17.707 1.00 0.00 H new ATOM 0 HA ALA A 75 15.171 12.023 -15.868 1.00 0.00 H new ATOM 0 HB1 ALA A 75 17.371 12.544 -16.869 1.00 0.00 H new ATOM 0 HB2 ALA A 75 16.424 11.440 -17.894 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.554 13.163 -18.324 1.00 0.00 H new ATOM 1051 N ASN A 76 16.157 14.252 -14.998 1.00 0.00 N ATOM 1052 CA ASN A 76 16.342 15.523 -14.307 1.00 0.00 C ATOM 1053 C ASN A 76 17.560 16.265 -14.849 1.00 0.00 C ATOM 1054 O ASN A 76 18.529 15.648 -15.292 1.00 0.00 O ATOM 1055 CB ASN A 76 16.499 15.292 -12.803 1.00 0.00 C ATOM 1056 CG ASN A 76 17.882 14.786 -12.438 1.00 0.00 C ATOM 1057 OD1 ASN A 76 18.107 13.580 -12.339 1.00 0.00 O ATOM 1058 ND2 ASN A 76 18.814 15.709 -12.234 1.00 0.00 N ATOM 0 H ASN A 76 16.696 13.478 -14.610 1.00 0.00 H new ATOM 0 HA ASN A 76 15.458 16.135 -14.483 1.00 0.00 H new ATOM 0 HB2 ASN A 76 16.304 16.224 -12.273 1.00 0.00 H new ATOM 0 HB3 ASN A 76 15.752 14.573 -12.468 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.763 15.429 -11.984 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.582 16.698 -12.327 1.00 0.00 H new ATOM 1065 N ILE A 77 17.503 17.592 -14.810 1.00 0.00 N ATOM 1066 CA ILE A 77 18.602 18.418 -15.296 1.00 0.00 C ATOM 1067 C ILE A 77 19.213 19.239 -14.166 1.00 0.00 C ATOM 1068 O ILE A 77 18.533 19.591 -13.202 1.00 0.00 O ATOM 1069 CB ILE A 77 18.139 19.369 -16.415 1.00 0.00 C ATOM 1070 CG1 ILE A 77 17.005 20.267 -15.915 1.00 0.00 C ATOM 1071 CG2 ILE A 77 17.696 18.576 -17.635 1.00 0.00 C ATOM 1072 CD1 ILE A 77 16.747 21.464 -16.802 1.00 0.00 C ATOM 0 H ILE A 77 16.708 18.118 -14.447 1.00 0.00 H new ATOM 0 HA ILE A 77 19.355 17.739 -15.696 1.00 0.00 H new ATOM 0 HB ILE A 77 18.978 20.002 -16.703 1.00 0.00 H new ATOM 0 HG12 ILE A 77 16.092 19.677 -15.840 1.00 0.00 H new ATOM 0 HG13 ILE A 77 17.244 20.614 -14.910 1.00 0.00 H new ATOM 0 HG21 ILE A 77 17.372 19.262 -18.417 1.00 0.00 H new ATOM 0 HG22 ILE A 77 18.529 17.976 -18.001 1.00 0.00 H new ATOM 0 HG23 ILE A 77 16.869 17.920 -17.362 1.00 0.00 H new ATOM 0 HD11 ILE A 77 15.931 22.055 -16.387 1.00 0.00 H new ATOM 0 HD12 ILE A 77 17.647 22.076 -16.858 1.00 0.00 H new ATOM 0 HD13 ILE A 77 16.477 21.124 -17.802 1.00 0.00 H new ATOM 1084 N VAL A 78 20.501 19.543 -14.293 1.00 0.00 N ATOM 1085 CA VAL A 78 21.204 20.327 -13.284 1.00 0.00 C ATOM 1086 C VAL A 78 20.483 21.641 -13.008 1.00 0.00 C ATOM 1087 O VAL A 78 20.103 22.357 -13.933 1.00 0.00 O ATOM 1088 CB VAL A 78 22.651 20.628 -13.716 1.00 0.00 C ATOM 1089 CG1 VAL A 78 22.667 21.425 -15.011 1.00 0.00 C ATOM 1090 CG2 VAL A 78 23.392 21.371 -12.614 1.00 0.00 C ATOM 0 H VAL A 78 21.079 19.258 -15.084 1.00 0.00 H new ATOM 0 HA VAL A 78 21.222 19.728 -12.373 1.00 0.00 H new ATOM 0 HB VAL A 78 23.163 19.682 -13.893 1.00 0.00 H new ATOM 0 HG11 VAL A 78 23.698 21.628 -15.300 1.00 0.00 H new ATOM 0 HG12 VAL A 78 22.176 20.852 -15.797 1.00 0.00 H new ATOM 0 HG13 VAL A 78 22.139 22.367 -14.865 1.00 0.00 H new ATOM 0 HG21 VAL A 78 24.413 21.576 -12.936 1.00 0.00 H new ATOM 0 HG22 VAL A 78 22.883 22.311 -12.403 1.00 0.00 H new ATOM 0 HG23 VAL A 78 23.412 20.759 -11.712 1.00 0.00 H new ATOM 1100 N GLU A 79 20.300 21.952 -11.728 1.00 0.00 N ATOM 1101 CA GLU A 79 19.624 23.181 -11.331 1.00 0.00 C ATOM 1102 C GLU A 79 20.416 24.407 -11.778 1.00 0.00 C ATOM 1103 O GLU A 79 19.865 25.499 -11.913 1.00 0.00 O ATOM 1104 CB GLU A 79 19.427 23.214 -9.814 1.00 0.00 C ATOM 1105 CG GLU A 79 18.658 24.430 -9.325 1.00 0.00 C ATOM 1106 CD GLU A 79 17.261 24.510 -9.908 1.00 0.00 C ATOM 1107 OE1 GLU A 79 16.617 23.450 -10.056 1.00 0.00 O ATOM 1108 OE2 GLU A 79 16.811 25.634 -10.217 1.00 0.00 O ATOM 0 H GLU A 79 20.610 21.370 -10.950 1.00 0.00 H new ATOM 0 HA GLU A 79 18.649 23.202 -11.818 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.898 22.312 -9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.403 23.193 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.593 24.401 -8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.209 25.333 -9.587 1.00 0.00 H new TER 1115 GLU A 79 HETATM 1116 ZN ZN A 200 4.767 -9.279 -2.352 1.00 0.00 ZN HETATM 1117 ZN ZN A 400 2.922 2.399 3.265 1.00 0.00 ZN