USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 577 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 27 TYR OH : rot 155:sc= 1.25 USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0673 K(o=1.6,f=0.81) USER MOD Set 1.3: A 62 HIS : no HD1:sc= 0.423 K(o=1.6,f=-7!) USER MOD Set 2.1: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 75 SER OG : rot 180:sc= 0 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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.12) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc=-0.00372 (180deg=-0.00372) USER MOD Single : A 34 ASN : amide:sc= 0.322 K(o=0.32,f=-3.6!) USER MOD Single : A 38 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.3) USER MOD Single : A 40 GLN : amide:sc= -0.787 K(o=-0.79,f=-5.9!) USER MOD Single : A 42 MET CE :methyl -139:sc= -3.59! (180deg=-5.58!) USER MOD Single : A 45 ASN : amide:sc= -0.832 K(o=-0.83,f=-0.17) USER MOD Single : A 47 MET CE :methyl -119:sc= -4.5! (180deg=-9.07!) USER MOD Single : A 50 GLN : amide:sc= -0.269 X(o=-0.27,f=-0.31) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.1) USER MOD Single : A 78 SER OG : rot 92:sc= 0.0768 USER MOD Single : A 79 SER OG : rot 10:sc= 0.53 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.228 15.140 -6.629 1.00 0.00 N ATOM 2 CA GLY A 1 17.073 15.508 -7.426 1.00 0.00 C ATOM 3 C GLY A 1 17.138 14.950 -8.834 1.00 0.00 C ATOM 4 O GLY A 1 17.483 15.663 -9.776 1.00 0.00 O ATOM 0 H1 GLY A 1 18.136 15.546 -5.676 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.287 14.104 -6.560 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.091 15.506 -7.079 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.168 15.147 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.999 16.594 -7.472 1.00 0.00 H new ATOM 8 N SER A 2 16.806 13.671 -8.978 1.00 0.00 N ATOM 9 CA SER A 2 16.834 13.016 -10.281 1.00 0.00 C ATOM 10 C SER A 2 15.498 12.343 -10.579 1.00 0.00 C ATOM 11 O SER A 2 14.570 12.396 -9.772 1.00 0.00 O ATOM 12 CB SER A 2 17.961 11.982 -10.331 1.00 0.00 C ATOM 13 OG SER A 2 18.858 12.152 -9.248 1.00 0.00 O ATOM 0 H SER A 2 16.515 13.068 -8.209 1.00 0.00 H new ATOM 0 HA SER A 2 17.015 13.778 -11.040 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.539 10.978 -10.303 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.502 12.074 -11.273 1.00 0.00 H new ATOM 0 HG SER A 2 19.568 11.478 -9.302 1.00 0.00 H new ATOM 19 N SER A 3 15.407 11.712 -11.746 1.00 0.00 N ATOM 20 CA SER A 3 14.184 11.032 -12.154 1.00 0.00 C ATOM 21 C SER A 3 14.475 9.593 -12.568 1.00 0.00 C ATOM 22 O SER A 3 15.519 9.301 -13.150 1.00 0.00 O ATOM 23 CB SER A 3 13.520 11.783 -13.310 1.00 0.00 C ATOM 24 OG SER A 3 12.892 10.884 -14.208 1.00 0.00 O ATOM 0 H SER A 3 16.166 11.658 -12.425 1.00 0.00 H new ATOM 0 HA SER A 3 13.504 11.016 -11.302 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.783 12.484 -12.917 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.267 12.371 -13.843 1.00 0.00 H new ATOM 0 HG SER A 3 12.474 11.388 -14.937 1.00 0.00 H new ATOM 30 N GLY A 4 13.542 8.696 -12.264 1.00 0.00 N ATOM 31 CA GLY A 4 13.716 7.297 -12.611 1.00 0.00 C ATOM 32 C GLY A 4 12.651 6.411 -11.997 1.00 0.00 C ATOM 33 O GLY A 4 11.493 6.812 -11.876 1.00 0.00 O ATOM 0 H GLY A 4 12.669 8.913 -11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.693 7.189 -13.695 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.699 6.963 -12.278 1.00 0.00 H new ATOM 37 N SER A 5 13.042 5.201 -11.608 1.00 0.00 N ATOM 38 CA SER A 5 12.110 4.253 -11.008 1.00 0.00 C ATOM 39 C SER A 5 10.899 4.037 -11.910 1.00 0.00 C ATOM 40 O SER A 5 9.755 4.170 -11.474 1.00 0.00 O ATOM 41 CB SER A 5 11.656 4.751 -9.635 1.00 0.00 C ATOM 42 OG SER A 5 12.765 4.981 -8.783 1.00 0.00 O ATOM 0 H SER A 5 13.997 4.854 -11.698 1.00 0.00 H new ATOM 0 HA SER A 5 12.626 3.300 -10.888 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.084 5.672 -9.750 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.990 4.017 -9.180 1.00 0.00 H new ATOM 0 HG SER A 5 12.448 5.300 -7.912 1.00 0.00 H new ATOM 48 N SER A 6 11.159 3.702 -13.170 1.00 0.00 N ATOM 49 CA SER A 6 10.090 3.471 -14.135 1.00 0.00 C ATOM 50 C SER A 6 10.451 2.330 -15.081 1.00 0.00 C ATOM 51 O SER A 6 11.469 2.378 -15.771 1.00 0.00 O ATOM 52 CB SER A 6 9.814 4.745 -14.936 1.00 0.00 C ATOM 53 OG SER A 6 10.536 5.845 -14.410 1.00 0.00 O ATOM 0 H SER A 6 12.100 3.585 -13.546 1.00 0.00 H new ATOM 0 HA SER A 6 9.190 3.194 -13.585 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.091 4.590 -15.979 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.747 4.965 -14.919 1.00 0.00 H new ATOM 0 HG SER A 6 10.344 6.646 -14.940 1.00 0.00 H new ATOM 59 N GLY A 7 9.607 1.303 -15.108 1.00 0.00 N ATOM 60 CA GLY A 7 9.853 0.163 -15.972 1.00 0.00 C ATOM 61 C GLY A 7 8.590 -0.338 -16.644 1.00 0.00 C ATOM 62 O GLY A 7 8.032 -1.371 -16.273 1.00 0.00 O ATOM 0 H GLY A 7 8.757 1.240 -14.547 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.581 0.439 -16.734 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.294 -0.644 -15.387 1.00 0.00 H new ATOM 66 N PRO A 8 8.120 0.404 -17.657 1.00 0.00 N ATOM 67 CA PRO A 8 6.909 0.049 -18.403 1.00 0.00 C ATOM 68 C PRO A 8 7.105 -1.189 -19.271 1.00 0.00 C ATOM 69 O PRO A 8 8.012 -1.239 -20.102 1.00 0.00 O ATOM 70 CB PRO A 8 6.656 1.280 -19.276 1.00 0.00 C ATOM 71 CG PRO A 8 7.995 1.913 -19.436 1.00 0.00 C ATOM 72 CD PRO A 8 8.734 1.647 -18.154 1.00 0.00 C ATOM 0 HA PRO A 8 6.080 -0.198 -17.740 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.232 1.001 -20.241 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.950 1.962 -18.803 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.527 1.490 -20.288 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.901 2.984 -19.618 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.804 1.526 -18.325 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.615 2.466 -17.444 1.00 0.00 H new ATOM 80 N ARG A 9 6.248 -2.186 -19.074 1.00 0.00 N ATOM 81 CA ARG A 9 6.328 -3.425 -19.840 1.00 0.00 C ATOM 82 C ARG A 9 5.338 -3.411 -21.000 1.00 0.00 C ATOM 83 O ARG A 9 4.804 -4.452 -21.385 1.00 0.00 O ATOM 84 CB ARG A 9 6.054 -4.627 -18.935 1.00 0.00 C ATOM 85 CG ARG A 9 4.658 -4.630 -18.333 1.00 0.00 C ATOM 86 CD ARG A 9 4.707 -4.651 -16.813 1.00 0.00 C ATOM 87 NE ARG A 9 4.977 -5.989 -16.292 1.00 0.00 N ATOM 88 CZ ARG A 9 5.197 -6.247 -15.008 1.00 0.00 C ATOM 89 NH1 ARG A 9 5.178 -5.264 -14.118 1.00 0.00 N ATOM 90 NH2 ARG A 9 5.436 -7.490 -14.611 1.00 0.00 N ATOM 0 H ARG A 9 5.491 -2.160 -18.391 1.00 0.00 H new ATOM 0 HA ARG A 9 7.336 -3.508 -20.247 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.195 -5.543 -19.509 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.788 -4.639 -18.129 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.114 -3.747 -18.668 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.107 -5.499 -18.692 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.479 -3.964 -16.466 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.758 -4.292 -16.415 1.00 0.00 H new ATOM 0 HE ARG A 9 4.998 -6.768 -16.951 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.994 -4.307 -14.419 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.347 -5.465 -13.132 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.451 -8.249 -15.292 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.605 -7.687 -13.624 1.00 0.00 H new ATOM 104 N CYS A 10 5.097 -2.228 -21.552 1.00 0.00 N ATOM 105 CA CYS A 10 4.170 -2.079 -22.668 1.00 0.00 C ATOM 106 C CYS A 10 4.326 -0.711 -23.326 1.00 0.00 C ATOM 107 O CYS A 10 4.799 0.248 -22.716 1.00 0.00 O ATOM 108 CB CYS A 10 2.730 -2.266 -22.190 1.00 0.00 C ATOM 109 SG CYS A 10 2.333 -1.368 -20.672 1.00 0.00 S ATOM 0 H CYS A 10 5.531 -1.357 -21.245 1.00 0.00 H new ATOM 0 HA CYS A 10 4.403 -2.846 -23.406 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.052 -1.942 -22.979 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.547 -3.328 -22.029 1.00 0.00 H new ATOM 0 HG CYS A 10 1.093 -1.587 -20.350 1.00 0.00 H new ATOM 115 N PRO A 11 3.921 -0.618 -24.602 1.00 0.00 N ATOM 116 CA PRO A 11 4.007 0.627 -25.371 1.00 0.00 C ATOM 117 C PRO A 11 3.022 1.681 -24.878 1.00 0.00 C ATOM 118 O PRO A 11 2.307 1.468 -23.900 1.00 0.00 O ATOM 119 CB PRO A 11 3.655 0.189 -26.795 1.00 0.00 C ATOM 120 CG PRO A 11 2.821 -1.033 -26.620 1.00 0.00 C ATOM 121 CD PRO A 11 3.348 -1.721 -25.391 1.00 0.00 C ATOM 0 HA PRO A 11 4.988 1.093 -25.285 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.108 0.969 -27.325 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.552 -0.024 -27.377 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.769 -0.774 -26.501 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.893 -1.683 -27.492 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.555 -2.235 -24.847 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.100 -2.469 -25.641 1.00 0.00 H new ATOM 129 N VAL A 12 2.990 2.820 -25.563 1.00 0.00 N ATOM 130 CA VAL A 12 2.092 3.908 -25.196 1.00 0.00 C ATOM 131 C VAL A 12 0.925 4.010 -26.172 1.00 0.00 C ATOM 132 O VAL A 12 1.063 3.696 -27.354 1.00 0.00 O ATOM 133 CB VAL A 12 2.832 5.258 -25.156 1.00 0.00 C ATOM 134 CG1 VAL A 12 3.356 5.621 -26.537 1.00 0.00 C ATOM 135 CG2 VAL A 12 1.918 6.350 -24.619 1.00 0.00 C ATOM 0 H VAL A 12 3.576 3.013 -26.375 1.00 0.00 H new ATOM 0 HA VAL A 12 1.711 3.681 -24.200 1.00 0.00 H new ATOM 0 HB VAL A 12 3.685 5.166 -24.483 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.876 6.578 -26.489 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.046 4.850 -26.879 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.522 5.696 -27.235 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.457 7.297 -24.597 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.045 6.444 -25.265 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.597 6.092 -23.610 1.00 0.00 H new ATOM 145 N GLN A 13 -0.224 4.450 -25.669 1.00 0.00 N ATOM 146 CA GLN A 13 -1.415 4.592 -26.497 1.00 0.00 C ATOM 147 C GLN A 13 -1.202 5.644 -27.581 1.00 0.00 C ATOM 148 O GLN A 13 -0.290 6.466 -27.493 1.00 0.00 O ATOM 149 CB GLN A 13 -2.620 4.971 -25.634 1.00 0.00 C ATOM 150 CG GLN A 13 -2.578 6.402 -25.125 1.00 0.00 C ATOM 151 CD GLN A 13 -3.104 6.534 -23.709 1.00 0.00 C ATOM 152 OE1 GLN A 13 -2.340 6.755 -22.769 1.00 0.00 O ATOM 153 NE2 GLN A 13 -4.415 6.398 -23.548 1.00 0.00 N ATOM 0 H GLN A 13 -0.355 4.714 -24.693 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.608 3.633 -26.978 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -3.531 4.827 -26.214 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.674 4.293 -24.782 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.552 6.767 -25.163 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.166 7.037 -25.788 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.012 6.215 -24.355 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.825 6.476 -22.617 1.00 0.00 H new ATOM 162 N THR A 14 -2.050 5.611 -28.605 1.00 0.00 N ATOM 163 CA THR A 14 -1.953 6.560 -29.707 1.00 0.00 C ATOM 164 C THR A 14 -3.190 7.448 -29.779 1.00 0.00 C ATOM 165 O THR A 14 -4.226 7.135 -29.190 1.00 0.00 O ATOM 166 CB THR A 14 -1.775 5.838 -31.056 1.00 0.00 C ATOM 167 OG1 THR A 14 -3.009 5.226 -31.451 1.00 0.00 O ATOM 168 CG2 THR A 14 -0.686 4.780 -30.964 1.00 0.00 C ATOM 0 H THR A 14 -2.811 4.938 -28.694 1.00 0.00 H new ATOM 0 HA THR A 14 -1.076 7.178 -29.515 1.00 0.00 H new ATOM 0 HB THR A 14 -1.481 6.576 -31.802 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.888 4.771 -32.310 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.579 4.284 -31.928 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.258 5.252 -30.692 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.956 4.045 -30.206 1.00 0.00 H new ATOM 176 N VAL A 15 -3.077 8.556 -30.504 1.00 0.00 N ATOM 177 CA VAL A 15 -4.187 9.489 -30.653 1.00 0.00 C ATOM 178 C VAL A 15 -5.453 8.769 -31.105 1.00 0.00 C ATOM 179 O VAL A 15 -6.555 9.091 -30.664 1.00 0.00 O ATOM 180 CB VAL A 15 -3.854 10.601 -31.665 1.00 0.00 C ATOM 181 CG1 VAL A 15 -4.971 11.633 -31.712 1.00 0.00 C ATOM 182 CG2 VAL A 15 -2.526 11.257 -31.317 1.00 0.00 C ATOM 0 H VAL A 15 -2.227 8.829 -30.998 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.357 9.938 -29.674 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.764 10.153 -32.654 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.718 12.411 -32.432 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.901 11.149 -32.012 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.096 12.079 -30.725 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.306 12.040 -32.042 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.586 11.692 -30.319 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.734 10.509 -31.340 1.00 0.00 H new ATOM 192 N GLY A 16 -5.286 7.789 -31.989 1.00 0.00 N ATOM 193 CA GLY A 16 -6.424 7.038 -32.487 1.00 0.00 C ATOM 194 C GLY A 16 -7.197 6.354 -31.377 1.00 0.00 C ATOM 195 O GLY A 16 -8.322 6.742 -31.066 1.00 0.00 O ATOM 0 H GLY A 16 -4.384 7.502 -32.369 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.090 7.710 -33.029 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.078 6.289 -33.199 1.00 0.00 H new ATOM 199 N GLN A 17 -6.593 5.331 -30.780 1.00 0.00 N ATOM 200 CA GLN A 17 -7.234 4.591 -29.700 1.00 0.00 C ATOM 201 C GLN A 17 -7.563 5.511 -28.529 1.00 0.00 C ATOM 202 O GLN A 17 -8.484 5.244 -27.757 1.00 0.00 O ATOM 203 CB GLN A 17 -6.330 3.450 -29.229 1.00 0.00 C ATOM 204 CG GLN A 17 -6.086 2.389 -30.290 1.00 0.00 C ATOM 205 CD GLN A 17 -5.137 1.303 -29.823 1.00 0.00 C ATOM 206 OE1 GLN A 17 -5.561 0.286 -29.274 1.00 0.00 O ATOM 207 NE2 GLN A 17 -3.844 1.514 -30.039 1.00 0.00 N ATOM 0 H GLN A 17 -5.661 4.996 -31.026 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.165 4.174 -30.083 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.372 3.863 -28.913 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.778 2.980 -28.354 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.037 1.938 -30.573 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.679 2.862 -31.184 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.537 2.372 -30.498 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.158 0.818 -29.746 1.00 0.00 H new ATOM 216 N TRP A 18 -6.804 6.594 -28.403 1.00 0.00 N ATOM 217 CA TRP A 18 -7.016 7.553 -27.325 1.00 0.00 C ATOM 218 C TRP A 18 -8.359 8.257 -27.479 1.00 0.00 C ATOM 219 O TRP A 18 -9.040 8.541 -26.492 1.00 0.00 O ATOM 220 CB TRP A 18 -5.886 8.584 -27.304 1.00 0.00 C ATOM 221 CG TRP A 18 -6.080 9.657 -26.275 1.00 0.00 C ATOM 222 CD1 TRP A 18 -6.062 9.504 -24.918 1.00 0.00 C ATOM 223 CD2 TRP A 18 -6.324 11.046 -26.522 1.00 0.00 C ATOM 224 NE1 TRP A 18 -6.279 10.715 -24.306 1.00 0.00 N ATOM 225 CE2 TRP A 18 -6.442 11.677 -25.268 1.00 0.00 C ATOM 226 CE3 TRP A 18 -6.451 11.819 -27.679 1.00 0.00 C ATOM 227 CZ2 TRP A 18 -6.683 13.042 -25.142 1.00 0.00 C ATOM 228 CZ3 TRP A 18 -6.690 13.174 -27.552 1.00 0.00 C ATOM 229 CH2 TRP A 18 -6.804 13.775 -26.292 1.00 0.00 C ATOM 0 H TRP A 18 -6.037 6.830 -29.033 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.019 7.007 -26.382 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -4.942 8.074 -27.113 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -5.806 9.045 -28.289 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -5.901 8.569 -24.402 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -6.313 10.872 -23.299 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -6.364 11.365 -28.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -6.771 13.507 -24.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.791 13.780 -28.440 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.991 14.837 -26.226 1.00 0.00 H new ATOM 240 N LEU A 19 -8.737 8.537 -28.722 1.00 0.00 N ATOM 241 CA LEU A 19 -10.001 9.208 -29.004 1.00 0.00 C ATOM 242 C LEU A 19 -11.158 8.214 -29.001 1.00 0.00 C ATOM 243 O LEU A 19 -12.279 8.554 -28.622 1.00 0.00 O ATOM 244 CB LEU A 19 -9.931 9.922 -30.355 1.00 0.00 C ATOM 245 CG LEU A 19 -9.024 11.152 -30.419 1.00 0.00 C ATOM 246 CD1 LEU A 19 -8.374 11.265 -31.789 1.00 0.00 C ATOM 247 CD2 LEU A 19 -9.812 12.413 -30.094 1.00 0.00 C ATOM 0 H LEU A 19 -8.186 8.310 -29.550 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.177 9.944 -28.219 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.592 9.206 -31.104 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.940 10.224 -30.636 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.236 11.038 -29.674 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.732 12.146 -31.816 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.776 10.374 -31.983 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.147 11.356 -32.552 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.151 13.278 -30.144 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.621 12.532 -30.815 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.229 12.333 -29.090 1.00 0.00 H new ATOM 259 N GLU A 20 -10.878 6.986 -29.423 1.00 0.00 N ATOM 260 CA GLU A 20 -11.895 5.942 -29.467 1.00 0.00 C ATOM 261 C GLU A 20 -12.417 5.632 -28.067 1.00 0.00 C ATOM 262 O GLU A 20 -13.546 5.172 -27.901 1.00 0.00 O ATOM 263 CB GLU A 20 -11.329 4.673 -30.106 1.00 0.00 C ATOM 264 CG GLU A 20 -10.723 4.901 -31.480 1.00 0.00 C ATOM 265 CD GLU A 20 -11.433 4.117 -32.568 1.00 0.00 C ATOM 266 OE1 GLU A 20 -11.408 2.870 -32.512 1.00 0.00 O ATOM 267 OE2 GLU A 20 -12.012 4.751 -33.474 1.00 0.00 O ATOM 0 H GLU A 20 -9.955 6.689 -29.740 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.725 6.305 -30.073 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.568 4.253 -29.448 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.124 3.932 -30.187 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.762 5.964 -31.719 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.671 4.617 -31.461 1.00 0.00 H new ATOM 274 N SER A 21 -11.584 5.886 -27.062 1.00 0.00 N ATOM 275 CA SER A 21 -11.958 5.630 -25.676 1.00 0.00 C ATOM 276 C SER A 21 -12.916 6.702 -25.165 1.00 0.00 C ATOM 277 O SER A 21 -14.036 6.402 -24.750 1.00 0.00 O ATOM 278 CB SER A 21 -10.712 5.579 -24.790 1.00 0.00 C ATOM 279 OG SER A 21 -10.717 4.425 -23.968 1.00 0.00 O ATOM 0 H SER A 21 -10.646 6.269 -27.182 1.00 0.00 H new ATOM 0 HA SER A 21 -12.464 4.665 -25.634 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.818 5.581 -25.414 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.668 6.473 -24.167 1.00 0.00 H new ATOM 0 HG SER A 21 -9.909 4.415 -23.413 1.00 0.00 H new ATOM 285 N ILE A 22 -12.467 7.952 -25.198 1.00 0.00 N ATOM 286 CA ILE A 22 -13.283 9.069 -24.739 1.00 0.00 C ATOM 287 C ILE A 22 -14.653 9.061 -25.410 1.00 0.00 C ATOM 288 O ILE A 22 -15.656 9.430 -24.801 1.00 0.00 O ATOM 289 CB ILE A 22 -12.596 10.419 -25.016 1.00 0.00 C ATOM 290 CG1 ILE A 22 -12.169 10.507 -26.483 1.00 0.00 C ATOM 291 CG2 ILE A 22 -11.397 10.602 -24.098 1.00 0.00 C ATOM 292 CD1 ILE A 22 -11.500 11.816 -26.840 1.00 0.00 C ATOM 0 H ILE A 22 -11.542 8.217 -25.538 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.407 8.948 -23.663 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.308 11.220 -24.815 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.486 9.687 -26.704 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.045 10.371 -27.117 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.922 11.561 -24.306 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.727 10.578 -23.059 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.681 9.798 -24.270 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.224 11.808 -27.895 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.188 12.640 -26.651 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.605 11.945 -26.232 1.00 0.00 H new ATOM 304 N GLY A 23 -14.687 8.635 -26.669 1.00 0.00 N ATOM 305 CA GLY A 23 -15.938 8.584 -27.401 1.00 0.00 C ATOM 306 C GLY A 23 -16.054 9.693 -28.429 1.00 0.00 C ATOM 307 O GLY A 23 -17.104 10.323 -28.558 1.00 0.00 O ATOM 0 H GLY A 23 -13.870 8.324 -27.195 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.024 7.619 -27.901 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.769 8.655 -26.699 1.00 0.00 H new ATOM 311 N LEU A 24 -14.972 9.933 -29.161 1.00 0.00 N ATOM 312 CA LEU A 24 -14.955 10.975 -30.183 1.00 0.00 C ATOM 313 C LEU A 24 -13.947 10.646 -31.279 1.00 0.00 C ATOM 314 O LEU A 24 -12.923 11.311 -31.435 1.00 0.00 O ATOM 315 CB LEU A 24 -14.618 12.328 -29.554 1.00 0.00 C ATOM 316 CG LEU A 24 -15.805 13.142 -29.038 1.00 0.00 C ATOM 317 CD1 LEU A 24 -15.323 14.321 -28.207 1.00 0.00 C ATOM 318 CD2 LEU A 24 -16.666 13.622 -30.197 1.00 0.00 C ATOM 0 H LEU A 24 -14.095 9.421 -29.066 1.00 0.00 H new ATOM 0 HA LEU A 24 -15.947 11.026 -30.631 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.931 12.160 -28.725 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.086 12.927 -30.293 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.412 12.499 -28.401 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.182 14.889 -27.848 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.748 13.956 -27.356 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.693 14.965 -28.820 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -17.506 14.200 -29.811 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.068 14.249 -30.859 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.041 12.762 -30.752 1.00 0.00 H new ATOM 330 N PRO A 25 -14.244 9.597 -32.061 1.00 0.00 N ATOM 331 CA PRO A 25 -13.378 9.158 -33.159 1.00 0.00 C ATOM 332 C PRO A 25 -13.369 10.145 -34.321 1.00 0.00 C ATOM 333 O PRO A 25 -12.424 10.181 -35.108 1.00 0.00 O ATOM 334 CB PRO A 25 -14.000 7.828 -33.592 1.00 0.00 C ATOM 335 CG PRO A 25 -15.431 7.930 -33.187 1.00 0.00 C ATOM 336 CD PRO A 25 -15.448 8.759 -31.933 1.00 0.00 C ATOM 0 HA PRO A 25 -12.336 9.076 -32.848 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.903 7.677 -34.667 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.510 6.985 -33.106 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.026 8.397 -33.972 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.857 6.943 -33.008 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.352 9.363 -31.863 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.411 8.136 -31.039 1.00 0.00 H new ATOM 344 N GLN A 26 -14.426 10.944 -34.420 1.00 0.00 N ATOM 345 CA GLN A 26 -14.539 11.932 -35.487 1.00 0.00 C ATOM 346 C GLN A 26 -13.348 12.885 -35.474 1.00 0.00 C ATOM 347 O GLN A 26 -13.007 13.481 -36.496 1.00 0.00 O ATOM 348 CB GLN A 26 -15.841 12.722 -35.343 1.00 0.00 C ATOM 349 CG GLN A 26 -15.918 13.540 -34.064 1.00 0.00 C ATOM 350 CD GLN A 26 -16.917 14.677 -34.157 1.00 0.00 C ATOM 351 OE1 GLN A 26 -16.861 15.494 -35.076 1.00 0.00 O ATOM 352 NE2 GLN A 26 -17.839 14.735 -33.203 1.00 0.00 N ATOM 0 H GLN A 26 -15.216 10.927 -33.775 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.547 11.402 -36.440 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -15.948 13.389 -36.198 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -16.682 12.029 -35.372 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.193 12.887 -33.236 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -14.932 13.945 -33.837 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.848 14.037 -32.460 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -18.538 15.478 -33.214 1.00 0.00 H new ATOM 361 N TYR A 27 -12.719 13.022 -34.313 1.00 0.00 N ATOM 362 CA TYR A 27 -11.567 13.905 -34.167 1.00 0.00 C ATOM 363 C TYR A 27 -10.263 13.127 -34.316 1.00 0.00 C ATOM 364 O TYR A 27 -9.227 13.525 -33.784 1.00 0.00 O ATOM 365 CB TYR A 27 -11.604 14.605 -32.808 1.00 0.00 C ATOM 366 CG TYR A 27 -12.813 15.493 -32.616 1.00 0.00 C ATOM 367 CD1 TYR A 27 -13.256 16.326 -33.636 1.00 0.00 C ATOM 368 CD2 TYR A 27 -13.512 15.498 -31.416 1.00 0.00 C ATOM 369 CE1 TYR A 27 -14.359 17.139 -33.465 1.00 0.00 C ATOM 370 CE2 TYR A 27 -14.618 16.307 -31.236 1.00 0.00 C ATOM 371 CZ TYR A 27 -15.037 17.126 -32.264 1.00 0.00 C ATOM 372 OH TYR A 27 -16.137 17.934 -32.090 1.00 0.00 O ATOM 0 H TYR A 27 -12.987 12.533 -33.459 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.614 14.656 -34.956 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.588 13.852 -32.020 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -10.701 15.205 -32.693 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.729 16.338 -34.578 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.186 14.858 -30.609 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.689 17.782 -34.268 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -15.151 16.298 -30.297 1.00 0.00 H new ATOM 0 HH TYR A 27 -16.722 17.547 -31.405 1.00 0.00 H new ATOM 382 N GLU A 28 -10.324 12.017 -35.044 1.00 0.00 N ATOM 383 CA GLU A 28 -9.148 11.183 -35.264 1.00 0.00 C ATOM 384 C GLU A 28 -8.352 11.671 -36.471 1.00 0.00 C ATOM 385 O GLU A 28 -7.139 11.480 -36.546 1.00 0.00 O ATOM 386 CB GLU A 28 -9.561 9.724 -35.468 1.00 0.00 C ATOM 387 CG GLU A 28 -8.391 8.792 -35.739 1.00 0.00 C ATOM 388 CD GLU A 28 -8.835 7.389 -36.105 1.00 0.00 C ATOM 389 OE1 GLU A 28 -10.050 7.112 -36.023 1.00 0.00 O ATOM 390 OE2 GLU A 28 -7.969 6.569 -36.472 1.00 0.00 O ATOM 0 H GLU A 28 -11.174 11.674 -35.491 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.514 11.254 -34.380 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.092 9.378 -34.581 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.261 9.667 -36.302 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.786 9.200 -36.549 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.754 8.749 -34.856 1.00 0.00 H new ATOM 397 N ASN A 29 -9.045 12.303 -37.413 1.00 0.00 N ATOM 398 CA ASN A 29 -8.404 12.818 -38.617 1.00 0.00 C ATOM 399 C ASN A 29 -8.000 14.278 -38.436 1.00 0.00 C ATOM 400 O ASN A 29 -7.055 14.754 -39.065 1.00 0.00 O ATOM 401 CB ASN A 29 -9.343 12.682 -39.818 1.00 0.00 C ATOM 402 CG ASN A 29 -8.634 12.151 -41.049 1.00 0.00 C ATOM 403 OD1 ASN A 29 -8.761 10.975 -41.393 1.00 0.00 O ATOM 404 ND2 ASN A 29 -7.882 13.016 -41.718 1.00 0.00 N ATOM 0 H ASN A 29 -10.050 12.471 -37.366 1.00 0.00 H new ATOM 0 HA ASN A 29 -7.504 12.230 -38.799 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.165 12.015 -39.559 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -9.781 13.654 -40.045 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -7.380 12.716 -42.554 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.806 13.981 -41.396 1.00 0.00 H new ATOM 411 N HIS A 30 -8.722 14.983 -37.571 1.00 0.00 N ATOM 412 CA HIS A 30 -8.439 16.389 -37.306 1.00 0.00 C ATOM 413 C HIS A 30 -6.992 16.577 -36.860 1.00 0.00 C ATOM 414 O HIS A 30 -6.269 17.417 -37.397 1.00 0.00 O ATOM 415 CB HIS A 30 -9.389 16.930 -36.237 1.00 0.00 C ATOM 416 CG HIS A 30 -10.610 17.589 -36.799 1.00 0.00 C ATOM 417 ND1 HIS A 30 -11.719 16.885 -37.219 1.00 0.00 N ATOM 418 CD2 HIS A 30 -10.895 18.896 -37.008 1.00 0.00 C ATOM 419 CE1 HIS A 30 -12.632 17.731 -37.664 1.00 0.00 C ATOM 420 NE2 HIS A 30 -12.156 18.957 -37.546 1.00 0.00 N ATOM 0 H HIS A 30 -9.507 14.604 -37.042 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.591 16.945 -38.231 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -9.695 16.111 -35.587 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.853 17.647 -35.615 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.250 19.735 -36.792 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.602 17.465 -38.057 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -12.646 19.811 -37.812 1.00 0.00 H new ATOM 428 N LEU A 31 -6.575 15.790 -35.874 1.00 0.00 N ATOM 429 CA LEU A 31 -5.214 15.869 -35.355 1.00 0.00 C ATOM 430 C LEU A 31 -4.207 15.383 -36.391 1.00 0.00 C ATOM 431 O LEU A 31 -3.275 16.102 -36.750 1.00 0.00 O ATOM 432 CB LEU A 31 -5.087 15.041 -34.075 1.00 0.00 C ATOM 433 CG LEU A 31 -5.930 15.506 -32.887 1.00 0.00 C ATOM 434 CD1 LEU A 31 -6.792 14.367 -32.366 1.00 0.00 C ATOM 435 CD2 LEU A 31 -5.039 16.053 -31.782 1.00 0.00 C ATOM 0 H LEU A 31 -7.160 15.090 -35.418 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.998 16.913 -35.128 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.357 14.010 -34.305 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.040 15.036 -33.772 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.588 16.307 -33.224 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.385 14.717 -31.521 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.457 14.022 -33.158 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.153 13.544 -32.045 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.656 16.379 -30.945 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.355 15.273 -31.447 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.466 16.899 -32.162 1.00 0.00 H new ATOM 447 N MET A 32 -4.402 14.158 -36.870 1.00 0.00 N ATOM 448 CA MET A 32 -3.512 13.578 -37.868 1.00 0.00 C ATOM 449 C MET A 32 -3.342 14.518 -39.058 1.00 0.00 C ATOM 450 O MET A 32 -2.298 14.526 -39.710 1.00 0.00 O ATOM 451 CB MET A 32 -4.055 12.228 -38.343 1.00 0.00 C ATOM 452 CG MET A 32 -4.002 11.144 -37.279 1.00 0.00 C ATOM 453 SD MET A 32 -2.634 9.996 -37.524 1.00 0.00 S ATOM 454 CE MET A 32 -2.407 9.380 -35.857 1.00 0.00 C ATOM 0 H MET A 32 -5.168 13.549 -36.583 1.00 0.00 H new ATOM 0 HA MET A 32 -2.537 13.427 -37.405 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.087 12.355 -38.669 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.484 11.901 -39.212 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.910 11.608 -36.297 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.941 10.590 -37.283 1.00 0.00 H new ATOM 0 HE1 MET A 32 -1.592 8.656 -35.844 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.166 10.210 -35.192 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.325 8.899 -35.519 1.00 0.00 H new ATOM 464 N ALA A 33 -4.375 15.307 -39.335 1.00 0.00 N ATOM 465 CA ALA A 33 -4.338 16.251 -40.444 1.00 0.00 C ATOM 466 C ALA A 33 -3.624 17.538 -40.047 1.00 0.00 C ATOM 467 O ALA A 33 -2.979 18.182 -40.874 1.00 0.00 O ATOM 468 CB ALA A 33 -5.750 16.556 -40.925 1.00 0.00 C ATOM 0 H ALA A 33 -5.247 15.311 -38.806 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.778 15.793 -41.259 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.707 17.263 -41.754 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.228 15.635 -41.258 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.327 16.989 -40.108 1.00 0.00 H new ATOM 474 N ASN A 34 -3.743 17.908 -38.776 1.00 0.00 N ATOM 475 CA ASN A 34 -3.109 19.119 -38.269 1.00 0.00 C ATOM 476 C ASN A 34 -1.595 18.946 -38.183 1.00 0.00 C ATOM 477 O ASN A 34 -0.838 19.884 -38.428 1.00 0.00 O ATOM 478 CB ASN A 34 -3.671 19.476 -36.891 1.00 0.00 C ATOM 479 CG ASN A 34 -4.731 20.559 -36.963 1.00 0.00 C ATOM 480 OD1 ASN A 34 -4.451 21.733 -36.723 1.00 0.00 O ATOM 481 ND2 ASN A 34 -5.956 20.167 -37.293 1.00 0.00 N ATOM 0 H ASN A 34 -4.273 17.386 -38.078 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.326 19.930 -38.964 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.097 18.584 -36.433 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.859 19.809 -36.245 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.711 20.850 -37.356 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.142 19.182 -37.484 1.00 0.00 H new ATOM 488 N GLY A 35 -1.162 17.738 -37.835 1.00 0.00 N ATOM 489 CA GLY A 35 0.259 17.464 -37.724 1.00 0.00 C ATOM 490 C GLY A 35 0.691 17.213 -36.293 1.00 0.00 C ATOM 491 O GLY A 35 1.779 17.620 -35.885 1.00 0.00 O ATOM 0 H GLY A 35 -1.769 16.945 -37.628 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.507 16.595 -38.333 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.821 18.306 -38.127 1.00 0.00 H new ATOM 495 N PHE A 36 -0.164 16.544 -35.527 1.00 0.00 N ATOM 496 CA PHE A 36 0.134 16.242 -34.131 1.00 0.00 C ATOM 497 C PHE A 36 0.671 14.822 -33.985 1.00 0.00 C ATOM 498 O PHE A 36 1.869 14.616 -33.790 1.00 0.00 O ATOM 499 CB PHE A 36 -1.119 16.418 -33.271 1.00 0.00 C ATOM 500 CG PHE A 36 -1.084 17.643 -32.403 1.00 0.00 C ATOM 501 CD1 PHE A 36 -0.367 17.647 -31.217 1.00 0.00 C ATOM 502 CD2 PHE A 36 -1.768 18.790 -32.772 1.00 0.00 C ATOM 503 CE1 PHE A 36 -0.331 18.773 -30.416 1.00 0.00 C ATOM 504 CE2 PHE A 36 -1.736 19.919 -31.975 1.00 0.00 C ATOM 505 CZ PHE A 36 -1.018 19.910 -30.795 1.00 0.00 C ATOM 0 H PHE A 36 -1.069 16.200 -35.849 1.00 0.00 H new ATOM 0 HA PHE A 36 0.901 16.938 -33.790 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.992 16.468 -33.922 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.243 15.538 -32.639 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.170 16.760 -30.915 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.333 18.802 -33.693 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.233 18.764 -29.495 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.272 20.807 -32.275 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.994 20.790 -30.170 1.00 0.00 H new ATOM 515 N ASP A 37 -0.225 13.845 -34.078 1.00 0.00 N ATOM 516 CA ASP A 37 0.157 12.443 -33.957 1.00 0.00 C ATOM 517 C ASP A 37 0.909 12.196 -32.652 1.00 0.00 C ATOM 518 O ASP A 37 1.724 11.279 -32.558 1.00 0.00 O ATOM 519 CB ASP A 37 1.023 12.023 -35.146 1.00 0.00 C ATOM 520 CG ASP A 37 0.927 10.538 -35.436 1.00 0.00 C ATOM 521 OD1 ASP A 37 0.374 9.803 -34.591 1.00 0.00 O ATOM 522 OD2 ASP A 37 1.404 10.111 -36.508 1.00 0.00 O ATOM 0 H ASP A 37 -1.221 13.998 -34.237 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.753 11.843 -33.951 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.718 12.583 -36.030 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.062 12.285 -34.946 1.00 0.00 H new ATOM 527 N ASN A 38 0.630 13.022 -31.649 1.00 0.00 N ATOM 528 CA ASN A 38 1.282 12.894 -30.350 1.00 0.00 C ATOM 529 C ASN A 38 0.252 12.698 -29.242 1.00 0.00 C ATOM 530 O ASN A 38 -0.830 13.285 -29.275 1.00 0.00 O ATOM 531 CB ASN A 38 2.132 14.132 -30.059 1.00 0.00 C ATOM 532 CG ASN A 38 3.007 14.522 -31.235 1.00 0.00 C ATOM 533 OD1 ASN A 38 3.620 13.670 -31.877 1.00 0.00 O ATOM 534 ND2 ASN A 38 3.068 15.817 -31.522 1.00 0.00 N ATOM 0 H ASN A 38 -0.042 13.787 -31.710 1.00 0.00 H new ATOM 0 HA ASN A 38 1.928 12.017 -30.380 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.479 14.966 -29.803 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.761 13.941 -29.189 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.640 16.140 -32.302 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.543 16.489 -30.962 1.00 0.00 H new ATOM 541 N VAL A 39 0.596 11.870 -28.261 1.00 0.00 N ATOM 542 CA VAL A 39 -0.297 11.598 -27.141 1.00 0.00 C ATOM 543 C VAL A 39 0.276 12.140 -25.837 1.00 0.00 C ATOM 544 O VAL A 39 -0.266 13.077 -25.252 1.00 0.00 O ATOM 545 CB VAL A 39 -0.559 10.088 -26.986 1.00 0.00 C ATOM 546 CG1 VAL A 39 -1.639 9.837 -25.944 1.00 0.00 C ATOM 547 CG2 VAL A 39 -0.945 9.475 -28.324 1.00 0.00 C ATOM 0 H VAL A 39 1.487 11.376 -28.219 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.239 12.102 -27.357 1.00 0.00 H new ATOM 0 HB VAL A 39 0.359 9.611 -26.644 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.810 8.765 -25.848 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.319 10.240 -24.983 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.563 10.326 -26.253 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.127 8.408 -28.196 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.850 9.955 -28.697 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.135 9.622 -29.039 1.00 0.00 H new ATOM 557 N GLN A 40 1.375 11.543 -25.387 1.00 0.00 N ATOM 558 CA GLN A 40 2.022 11.966 -24.150 1.00 0.00 C ATOM 559 C GLN A 40 2.368 13.451 -24.198 1.00 0.00 C ATOM 560 O GLN A 40 2.472 14.108 -23.162 1.00 0.00 O ATOM 561 CB GLN A 40 3.287 11.143 -23.904 1.00 0.00 C ATOM 562 CG GLN A 40 3.075 9.644 -24.046 1.00 0.00 C ATOM 563 CD GLN A 40 4.065 8.835 -23.232 1.00 0.00 C ATOM 564 OE1 GLN A 40 3.718 8.270 -22.194 1.00 0.00 O ATOM 565 NE2 GLN A 40 5.307 8.775 -23.699 1.00 0.00 N ATOM 0 H GLN A 40 1.836 10.766 -25.860 1.00 0.00 H new ATOM 0 HA GLN A 40 1.324 11.800 -23.329 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.059 11.460 -24.605 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.660 11.356 -22.902 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.062 9.393 -23.733 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.162 9.367 -25.097 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.551 9.259 -24.563 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.017 8.245 -23.193 1.00 0.00 H new ATOM 574 N PHE A 41 2.546 13.974 -25.406 1.00 0.00 N ATOM 575 CA PHE A 41 2.883 15.381 -25.589 1.00 0.00 C ATOM 576 C PHE A 41 1.713 16.276 -25.188 1.00 0.00 C ATOM 577 O PHE A 41 1.906 17.339 -24.599 1.00 0.00 O ATOM 578 CB PHE A 41 3.270 15.650 -27.044 1.00 0.00 C ATOM 579 CG PHE A 41 4.607 15.082 -27.424 1.00 0.00 C ATOM 580 CD1 PHE A 41 4.776 13.715 -27.575 1.00 0.00 C ATOM 581 CD2 PHE A 41 5.695 15.914 -27.630 1.00 0.00 C ATOM 582 CE1 PHE A 41 6.006 13.189 -27.923 1.00 0.00 C ATOM 583 CE2 PHE A 41 6.928 15.395 -27.979 1.00 0.00 C ATOM 584 CZ PHE A 41 7.083 14.030 -28.127 1.00 0.00 C ATOM 0 H PHE A 41 2.462 13.444 -26.274 1.00 0.00 H new ATOM 0 HA PHE A 41 3.732 15.612 -24.946 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.506 15.229 -27.698 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.279 16.726 -27.216 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.937 13.053 -27.419 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.579 16.982 -27.517 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.125 12.121 -28.035 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.768 16.055 -28.136 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.044 13.621 -28.402 1.00 0.00 H new ATOM 594 N MET A 42 0.502 15.837 -25.513 1.00 0.00 N ATOM 595 CA MET A 42 -0.699 16.597 -25.186 1.00 0.00 C ATOM 596 C MET A 42 -0.720 16.972 -23.708 1.00 0.00 C ATOM 597 O MET A 42 -1.090 18.088 -23.345 1.00 0.00 O ATOM 598 CB MET A 42 -1.951 15.791 -25.537 1.00 0.00 C ATOM 599 CG MET A 42 -2.078 15.482 -27.020 1.00 0.00 C ATOM 600 SD MET A 42 -3.626 14.650 -27.426 1.00 0.00 S ATOM 601 CE MET A 42 -3.467 14.488 -29.202 1.00 0.00 C ATOM 0 H MET A 42 0.326 14.959 -26.002 1.00 0.00 H new ATOM 0 HA MET A 42 -0.689 17.514 -25.775 1.00 0.00 H new ATOM 0 HB2 MET A 42 -1.939 14.855 -24.979 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.832 16.344 -25.213 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.009 16.410 -27.588 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.241 14.856 -27.330 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.426 14.703 -29.674 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.718 15.191 -29.566 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.160 13.471 -29.449 1.00 0.00 H new ATOM 611 N GLY A 43 -0.320 16.032 -22.857 1.00 0.00 N ATOM 612 CA GLY A 43 -0.301 16.283 -21.428 1.00 0.00 C ATOM 613 C GLY A 43 1.037 16.810 -20.950 1.00 0.00 C ATOM 614 O GLY A 43 1.815 16.081 -20.334 1.00 0.00 O ATOM 0 H GLY A 43 -0.009 15.101 -23.132 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.081 17.002 -21.178 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.535 15.360 -20.897 1.00 0.00 H new ATOM 618 N SER A 44 1.308 18.080 -21.234 1.00 0.00 N ATOM 619 CA SER A 44 2.564 18.702 -20.833 1.00 0.00 C ATOM 620 C SER A 44 2.510 20.214 -21.036 1.00 0.00 C ATOM 621 O SER A 44 2.938 20.982 -20.175 1.00 0.00 O ATOM 622 CB SER A 44 3.728 18.111 -21.630 1.00 0.00 C ATOM 623 OG SER A 44 4.859 17.903 -20.803 1.00 0.00 O ATOM 0 H SER A 44 0.674 18.698 -21.740 1.00 0.00 H new ATOM 0 HA SER A 44 2.719 18.500 -19.773 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.423 17.166 -22.078 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.990 18.782 -22.448 1.00 0.00 H new ATOM 0 HG SER A 44 5.588 17.523 -21.336 1.00 0.00 H new ATOM 629 N ASN A 45 1.981 20.632 -22.181 1.00 0.00 N ATOM 630 CA ASN A 45 1.872 22.052 -22.498 1.00 0.00 C ATOM 631 C ASN A 45 1.217 22.255 -23.861 1.00 0.00 C ATOM 632 O ASN A 45 0.476 23.216 -24.069 1.00 0.00 O ATOM 633 CB ASN A 45 3.254 22.708 -22.481 1.00 0.00 C ATOM 634 CG ASN A 45 4.271 21.934 -23.297 1.00 0.00 C ATOM 635 OD1 ASN A 45 4.383 22.121 -24.509 1.00 0.00 O ATOM 636 ND2 ASN A 45 5.019 21.060 -22.635 1.00 0.00 N ATOM 0 H ASN A 45 1.621 20.009 -22.904 1.00 0.00 H new ATOM 0 HA ASN A 45 1.246 22.521 -21.739 1.00 0.00 H new ATOM 0 HB2 ASN A 45 3.176 23.723 -22.871 1.00 0.00 H new ATOM 0 HB3 ASN A 45 3.603 22.788 -21.451 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.721 20.511 -23.131 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.892 20.938 -21.630 1.00 0.00 H new ATOM 643 N VAL A 46 1.494 21.343 -24.787 1.00 0.00 N ATOM 644 CA VAL A 46 0.931 21.421 -26.130 1.00 0.00 C ATOM 645 C VAL A 46 -0.440 20.759 -26.190 1.00 0.00 C ATOM 646 O VAL A 46 -0.764 19.902 -25.368 1.00 0.00 O ATOM 647 CB VAL A 46 1.856 20.755 -27.166 1.00 0.00 C ATOM 648 CG1 VAL A 46 1.859 19.244 -26.987 1.00 0.00 C ATOM 649 CG2 VAL A 46 1.433 21.132 -28.578 1.00 0.00 C ATOM 0 H VAL A 46 2.105 20.541 -24.632 1.00 0.00 H new ATOM 0 HA VAL A 46 0.831 22.479 -26.370 1.00 0.00 H new ATOM 0 HB VAL A 46 2.871 21.117 -27.006 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.518 18.791 -27.728 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.214 18.997 -25.986 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.847 18.860 -27.118 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.097 20.653 -29.297 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.410 20.800 -28.752 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.489 22.214 -28.698 1.00 0.00 H new ATOM 659 N MET A 47 -1.244 21.162 -27.169 1.00 0.00 N ATOM 660 CA MET A 47 -2.581 20.605 -27.337 1.00 0.00 C ATOM 661 C MET A 47 -3.466 20.947 -26.143 1.00 0.00 C ATOM 662 O MET A 47 -3.979 20.057 -25.465 1.00 0.00 O ATOM 663 CB MET A 47 -2.507 19.088 -27.514 1.00 0.00 C ATOM 664 CG MET A 47 -3.803 18.470 -28.015 1.00 0.00 C ATOM 665 SD MET A 47 -3.994 18.610 -29.802 1.00 0.00 S ATOM 666 CE MET A 47 -5.060 20.045 -29.917 1.00 0.00 C ATOM 0 H MET A 47 -0.993 21.872 -27.857 1.00 0.00 H new ATOM 0 HA MET A 47 -3.021 21.046 -28.231 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.706 18.851 -28.215 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.241 18.632 -26.560 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.833 17.418 -27.732 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.646 18.956 -27.524 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.995 19.765 -30.402 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.269 20.424 -28.917 1.00 0.00 H new ATOM 0 HE3 MET A 47 -4.565 20.820 -30.503 1.00 0.00 H new ATOM 676 N GLU A 48 -3.640 22.241 -25.892 1.00 0.00 N ATOM 677 CA GLU A 48 -4.463 22.698 -24.778 1.00 0.00 C ATOM 678 C GLU A 48 -5.860 23.082 -25.256 1.00 0.00 C ATOM 679 O GLU A 48 -6.195 22.915 -26.429 1.00 0.00 O ATOM 680 CB GLU A 48 -3.803 23.892 -24.084 1.00 0.00 C ATOM 681 CG GLU A 48 -2.365 23.635 -23.667 1.00 0.00 C ATOM 682 CD GLU A 48 -1.676 24.883 -23.149 1.00 0.00 C ATOM 683 OE1 GLU A 48 -1.804 25.171 -21.941 1.00 0.00 O ATOM 684 OE2 GLU A 48 -1.010 25.570 -23.951 1.00 0.00 O ATOM 0 H GLU A 48 -3.223 22.990 -26.444 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.554 21.878 -24.066 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.830 24.751 -24.754 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.386 24.157 -23.202 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.347 22.867 -22.894 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.808 23.244 -24.518 1.00 0.00 H new ATOM 691 N ASP A 49 -6.672 23.597 -24.338 1.00 0.00 N ATOM 692 CA ASP A 49 -8.033 24.005 -24.665 1.00 0.00 C ATOM 693 C ASP A 49 -8.046 24.943 -25.867 1.00 0.00 C ATOM 694 O ASP A 49 -9.012 24.977 -26.629 1.00 0.00 O ATOM 695 CB ASP A 49 -8.685 24.689 -23.462 1.00 0.00 C ATOM 696 CG ASP A 49 -10.198 24.709 -23.558 1.00 0.00 C ATOM 697 OD1 ASP A 49 -10.732 24.302 -24.611 1.00 0.00 O ATOM 698 OD2 ASP A 49 -10.849 25.132 -22.579 1.00 0.00 O ATOM 0 H ASP A 49 -6.411 23.741 -23.363 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.603 23.111 -24.919 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -8.388 24.172 -22.549 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.315 25.711 -23.384 1.00 0.00 H new ATOM 703 N GLN A 50 -6.967 25.703 -26.030 1.00 0.00 N ATOM 704 CA GLN A 50 -6.856 26.642 -27.139 1.00 0.00 C ATOM 705 C GLN A 50 -6.403 25.933 -28.411 1.00 0.00 C ATOM 706 O GLN A 50 -6.966 26.143 -29.485 1.00 0.00 O ATOM 707 CB GLN A 50 -5.875 27.763 -26.790 1.00 0.00 C ATOM 708 CG GLN A 50 -6.554 29.058 -26.374 1.00 0.00 C ATOM 709 CD GLN A 50 -7.426 29.638 -27.470 1.00 0.00 C ATOM 710 OE1 GLN A 50 -8.627 29.834 -27.285 1.00 0.00 O ATOM 711 NE2 GLN A 50 -6.824 29.916 -28.620 1.00 0.00 N ATOM 0 H GLN A 50 -6.158 25.686 -25.408 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.842 27.072 -27.316 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.225 27.427 -25.982 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.237 27.958 -27.652 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.163 28.876 -25.488 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.795 29.788 -26.094 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.826 29.737 -28.729 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.360 30.308 -29.394 1.00 0.00 H new ATOM 720 N ASP A 51 -5.383 25.091 -28.281 1.00 0.00 N ATOM 721 CA ASP A 51 -4.855 24.349 -29.420 1.00 0.00 C ATOM 722 C ASP A 51 -5.939 23.486 -30.057 1.00 0.00 C ATOM 723 O ASP A 51 -5.841 23.109 -31.226 1.00 0.00 O ATOM 724 CB ASP A 51 -3.679 23.474 -28.984 1.00 0.00 C ATOM 725 CG ASP A 51 -2.547 24.282 -28.382 1.00 0.00 C ATOM 726 OD1 ASP A 51 -2.576 24.522 -27.156 1.00 0.00 O ATOM 727 OD2 ASP A 51 -1.632 24.675 -29.135 1.00 0.00 O ATOM 0 H ASP A 51 -4.906 24.906 -27.399 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.508 25.068 -30.161 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.026 22.741 -28.255 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.306 22.917 -29.844 1.00 0.00 H new ATOM 732 N LEU A 52 -6.972 23.175 -29.282 1.00 0.00 N ATOM 733 CA LEU A 52 -8.076 22.355 -29.769 1.00 0.00 C ATOM 734 C LEU A 52 -9.083 23.201 -30.542 1.00 0.00 C ATOM 735 O LEU A 52 -9.851 22.683 -31.354 1.00 0.00 O ATOM 736 CB LEU A 52 -8.771 21.654 -28.601 1.00 0.00 C ATOM 737 CG LEU A 52 -7.932 20.629 -27.837 1.00 0.00 C ATOM 738 CD1 LEU A 52 -8.477 20.433 -26.431 1.00 0.00 C ATOM 739 CD2 LEU A 52 -7.896 19.305 -28.587 1.00 0.00 C ATOM 0 H LEU A 52 -7.068 23.478 -28.313 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.667 21.603 -30.444 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.109 22.414 -27.897 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.661 21.153 -28.982 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.913 21.008 -27.759 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.867 19.700 -25.903 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.450 21.382 -25.895 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.506 20.077 -26.486 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.295 18.587 -28.029 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.910 18.921 -28.697 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.457 19.457 -29.573 1.00 0.00 H new ATOM 751 N LEU A 53 -9.072 24.504 -30.286 1.00 0.00 N ATOM 752 CA LEU A 53 -9.984 25.423 -30.959 1.00 0.00 C ATOM 753 C LEU A 53 -9.363 25.962 -32.244 1.00 0.00 C ATOM 754 O LEU A 53 -10.072 26.354 -33.170 1.00 0.00 O ATOM 755 CB LEU A 53 -10.348 26.583 -30.031 1.00 0.00 C ATOM 756 CG LEU A 53 -11.233 27.674 -30.635 1.00 0.00 C ATOM 757 CD1 LEU A 53 -12.616 27.126 -30.950 1.00 0.00 C ATOM 758 CD2 LEU A 53 -11.331 28.864 -29.692 1.00 0.00 C ATOM 0 H LEU A 53 -8.442 24.948 -29.618 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.889 24.873 -31.216 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.854 26.176 -29.155 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.425 27.045 -29.680 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.777 28.010 -31.566 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -13.232 27.917 -31.379 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.529 26.307 -31.663 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.080 26.761 -30.034 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.965 29.631 -30.138 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.763 28.543 -28.744 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.336 29.273 -29.517 1.00 0.00 H new ATOM 770 N GLU A 54 -8.034 25.976 -32.293 1.00 0.00 N ATOM 771 CA GLU A 54 -7.319 26.465 -33.466 1.00 0.00 C ATOM 772 C GLU A 54 -7.223 25.381 -34.536 1.00 0.00 C ATOM 773 O GLU A 54 -7.223 25.674 -35.732 1.00 0.00 O ATOM 774 CB GLU A 54 -5.917 26.937 -33.075 1.00 0.00 C ATOM 775 CG GLU A 54 -4.948 25.801 -32.795 1.00 0.00 C ATOM 776 CD GLU A 54 -3.556 26.293 -32.448 1.00 0.00 C ATOM 777 OE1 GLU A 54 -3.398 27.509 -32.212 1.00 0.00 O ATOM 778 OE2 GLU A 54 -2.625 25.461 -32.414 1.00 0.00 O ATOM 0 H GLU A 54 -7.432 25.655 -31.535 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.877 27.307 -33.876 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.515 27.557 -33.876 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.989 27.568 -32.189 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.331 25.196 -31.973 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.892 25.152 -33.669 1.00 0.00 H new ATOM 785 N ILE A 55 -7.141 24.130 -34.097 1.00 0.00 N ATOM 786 CA ILE A 55 -7.044 23.003 -35.016 1.00 0.00 C ATOM 787 C ILE A 55 -8.290 22.898 -35.889 1.00 0.00 C ATOM 788 O ILE A 55 -8.231 22.406 -37.015 1.00 0.00 O ATOM 789 CB ILE A 55 -6.847 21.676 -34.261 1.00 0.00 C ATOM 790 CG1 ILE A 55 -7.902 21.527 -33.162 1.00 0.00 C ATOM 791 CG2 ILE A 55 -5.446 21.605 -33.671 1.00 0.00 C ATOM 792 CD1 ILE A 55 -8.002 20.124 -32.606 1.00 0.00 C ATOM 0 H ILE A 55 -7.140 23.871 -33.110 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.174 23.184 -35.647 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.965 20.853 -34.966 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.668 22.215 -32.350 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.873 21.822 -33.560 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.322 20.661 -33.140 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.710 21.670 -34.472 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.301 22.433 -32.977 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.769 20.093 -31.832 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.266 19.433 -33.407 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.043 19.833 -32.178 1.00 0.00 H new ATOM 804 N GLY A 56 -9.417 23.366 -35.362 1.00 0.00 N ATOM 805 CA GLY A 56 -10.661 23.317 -36.108 1.00 0.00 C ATOM 806 C GLY A 56 -11.855 23.012 -35.225 1.00 0.00 C ATOM 807 O GLY A 56 -12.911 23.629 -35.362 1.00 0.00 O ATOM 0 H GLY A 56 -9.491 23.778 -34.432 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.818 24.272 -36.609 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.585 22.557 -36.886 1.00 0.00 H new ATOM 811 N ILE A 57 -11.688 22.056 -34.317 1.00 0.00 N ATOM 812 CA ILE A 57 -12.761 21.670 -33.409 1.00 0.00 C ATOM 813 C ILE A 57 -13.344 22.887 -32.698 1.00 0.00 C ATOM 814 O ILE A 57 -12.744 23.421 -31.765 1.00 0.00 O ATOM 815 CB ILE A 57 -12.270 20.660 -32.355 1.00 0.00 C ATOM 816 CG1 ILE A 57 -11.686 19.421 -33.036 1.00 0.00 C ATOM 817 CG2 ILE A 57 -13.409 20.272 -31.423 1.00 0.00 C ATOM 818 CD1 ILE A 57 -11.093 18.421 -32.068 1.00 0.00 C ATOM 0 H ILE A 57 -10.820 21.535 -34.191 1.00 0.00 H new ATOM 0 HA ILE A 57 -13.535 21.202 -34.016 1.00 0.00 H new ATOM 0 HB ILE A 57 -11.485 21.129 -31.762 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.469 18.932 -33.616 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.915 19.733 -33.741 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -13.047 19.558 -30.684 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.783 21.161 -30.916 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -14.214 19.819 -32.001 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -10.698 17.569 -32.621 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.288 18.893 -31.505 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.865 18.080 -31.379 1.00 0.00 H new ATOM 830 N LEU A 58 -14.518 23.319 -33.145 1.00 0.00 N ATOM 831 CA LEU A 58 -15.185 24.472 -32.550 1.00 0.00 C ATOM 832 C LEU A 58 -16.133 24.039 -31.437 1.00 0.00 C ATOM 833 O LEU A 58 -16.410 24.802 -30.512 1.00 0.00 O ATOM 834 CB LEU A 58 -15.957 25.247 -33.620 1.00 0.00 C ATOM 835 CG LEU A 58 -15.187 25.571 -34.901 1.00 0.00 C ATOM 836 CD1 LEU A 58 -16.024 26.447 -35.820 1.00 0.00 C ATOM 837 CD2 LEU A 58 -13.865 26.250 -34.571 1.00 0.00 C ATOM 0 H LEU A 58 -15.027 22.889 -33.917 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.422 25.120 -32.120 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -16.843 24.672 -33.888 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.305 26.183 -33.182 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.973 24.637 -35.420 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.460 26.667 -36.726 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -16.943 25.924 -36.083 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.270 27.379 -35.310 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.330 26.473 -35.494 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.057 27.176 -34.030 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.260 25.587 -33.953 1.00 0.00 H new ATOM 849 N ASN A 59 -16.626 22.808 -31.532 1.00 0.00 N ATOM 850 CA ASN A 59 -17.542 22.273 -30.531 1.00 0.00 C ATOM 851 C ASN A 59 -16.969 22.434 -29.127 1.00 0.00 C ATOM 852 O ASN A 59 -16.081 21.685 -28.718 1.00 0.00 O ATOM 853 CB ASN A 59 -17.829 20.796 -30.811 1.00 0.00 C ATOM 854 CG ASN A 59 -19.000 20.603 -31.754 1.00 0.00 C ATOM 855 OD1 ASN A 59 -20.059 20.116 -31.356 1.00 0.00 O ATOM 856 ND2 ASN A 59 -18.816 20.984 -33.013 1.00 0.00 N ATOM 0 H ASN A 59 -16.407 22.163 -32.291 1.00 0.00 H new ATOM 0 HA ASN A 59 -18.474 22.835 -30.590 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.941 20.331 -31.239 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.035 20.284 -29.871 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -19.569 20.878 -33.693 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.922 21.383 -33.300 1.00 0.00 H new ATOM 863 N SER A 60 -17.482 23.416 -28.393 1.00 0.00 N ATOM 864 CA SER A 60 -17.020 23.678 -27.035 1.00 0.00 C ATOM 865 C SER A 60 -17.310 22.490 -26.123 1.00 0.00 C ATOM 866 O SER A 60 -16.422 21.990 -25.434 1.00 0.00 O ATOM 867 CB SER A 60 -17.688 24.937 -26.480 1.00 0.00 C ATOM 868 OG SER A 60 -17.459 25.064 -25.087 1.00 0.00 O ATOM 0 H SER A 60 -18.218 24.044 -28.716 1.00 0.00 H new ATOM 0 HA SER A 60 -15.942 23.833 -27.069 1.00 0.00 H new ATOM 0 HB2 SER A 60 -17.302 25.815 -26.997 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.760 24.899 -26.674 1.00 0.00 H new ATOM 0 HG SER A 60 -17.895 25.877 -24.757 1.00 0.00 H new ATOM 874 N GLY A 61 -18.562 22.042 -26.126 1.00 0.00 N ATOM 875 CA GLY A 61 -18.950 20.917 -25.295 1.00 0.00 C ATOM 876 C GLY A 61 -18.091 19.692 -25.542 1.00 0.00 C ATOM 877 O GLY A 61 -17.922 18.854 -24.655 1.00 0.00 O ATOM 0 H GLY A 61 -19.315 22.438 -26.689 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -18.878 21.202 -24.245 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -19.994 20.670 -25.487 1.00 0.00 H new ATOM 881 N HIS A 62 -17.548 19.585 -26.751 1.00 0.00 N ATOM 882 CA HIS A 62 -16.703 18.453 -27.112 1.00 0.00 C ATOM 883 C HIS A 62 -15.273 18.665 -26.625 1.00 0.00 C ATOM 884 O HIS A 62 -14.655 17.757 -26.069 1.00 0.00 O ATOM 885 CB HIS A 62 -16.712 18.245 -28.627 1.00 0.00 C ATOM 886 CG HIS A 62 -17.991 17.661 -29.143 1.00 0.00 C ATOM 887 ND1 HIS A 62 -18.388 17.766 -30.460 1.00 0.00 N ATOM 888 CD2 HIS A 62 -18.964 16.963 -28.512 1.00 0.00 C ATOM 889 CE1 HIS A 62 -19.551 17.158 -30.616 1.00 0.00 C ATOM 890 NE2 HIS A 62 -19.922 16.662 -29.449 1.00 0.00 N ATOM 0 H HIS A 62 -17.678 20.269 -27.497 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.105 17.563 -26.628 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -16.535 19.202 -29.118 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -15.886 17.589 -28.900 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.983 16.693 -27.466 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -20.104 17.080 -31.540 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -20.781 16.140 -29.273 1.00 0.00 H new ATOM 898 N ARG A 63 -14.753 19.870 -26.837 1.00 0.00 N ATOM 899 CA ARG A 63 -13.395 20.200 -26.421 1.00 0.00 C ATOM 900 C ARG A 63 -13.179 19.858 -24.950 1.00 0.00 C ATOM 901 O ARG A 63 -12.156 19.281 -24.581 1.00 0.00 O ATOM 902 CB ARG A 63 -13.114 21.685 -26.658 1.00 0.00 C ATOM 903 CG ARG A 63 -12.899 22.039 -28.120 1.00 0.00 C ATOM 904 CD ARG A 63 -11.996 23.253 -28.273 1.00 0.00 C ATOM 905 NE ARG A 63 -12.464 24.387 -27.481 1.00 0.00 N ATOM 906 CZ ARG A 63 -13.437 25.203 -27.870 1.00 0.00 C ATOM 907 NH1 ARG A 63 -14.042 25.012 -29.034 1.00 0.00 N ATOM 908 NH2 ARG A 63 -13.808 26.213 -27.093 1.00 0.00 N ATOM 0 H ARG A 63 -15.251 20.633 -27.294 1.00 0.00 H new ATOM 0 HA ARG A 63 -12.703 19.606 -27.019 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.948 22.270 -26.270 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.230 21.974 -26.089 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.458 21.189 -28.640 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -13.861 22.238 -28.592 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.983 22.992 -27.968 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -11.949 23.540 -29.324 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.019 24.562 -26.580 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.761 24.236 -29.634 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.789 25.641 -29.330 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -13.346 26.363 -26.196 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.555 26.839 -27.393 1.00 0.00 H new ATOM 922 N GLN A 64 -14.148 20.219 -24.115 1.00 0.00 N ATOM 923 CA GLN A 64 -14.062 19.952 -22.684 1.00 0.00 C ATOM 924 C GLN A 64 -13.777 18.476 -22.422 1.00 0.00 C ATOM 925 O GLN A 64 -12.970 18.134 -21.558 1.00 0.00 O ATOM 926 CB GLN A 64 -15.360 20.364 -21.988 1.00 0.00 C ATOM 927 CG GLN A 64 -15.659 21.851 -22.089 1.00 0.00 C ATOM 928 CD GLN A 64 -15.321 22.601 -20.815 1.00 0.00 C ATOM 929 OE1 GLN A 64 -15.980 22.433 -19.789 1.00 0.00 O ATOM 930 NE2 GLN A 64 -14.290 23.436 -20.875 1.00 0.00 N ATOM 0 H GLN A 64 -15.001 20.697 -24.405 1.00 0.00 H new ATOM 0 HA GLN A 64 -13.238 20.540 -22.279 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -16.189 19.805 -22.422 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -15.303 20.084 -20.936 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -15.093 22.276 -22.918 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -16.715 21.991 -22.319 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -13.771 23.544 -21.747 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.017 23.969 -20.049 1.00 0.00 H new ATOM 939 N ARG A 65 -14.445 17.607 -23.174 1.00 0.00 N ATOM 940 CA ARG A 65 -14.264 16.169 -23.022 1.00 0.00 C ATOM 941 C ARG A 65 -12.833 15.762 -23.361 1.00 0.00 C ATOM 942 O ARG A 65 -12.272 14.858 -22.741 1.00 0.00 O ATOM 943 CB ARG A 65 -15.247 15.412 -23.918 1.00 0.00 C ATOM 944 CG ARG A 65 -16.541 15.032 -23.217 1.00 0.00 C ATOM 945 CD ARG A 65 -17.317 13.990 -24.008 1.00 0.00 C ATOM 946 NE ARG A 65 -17.492 12.751 -23.254 1.00 0.00 N ATOM 947 CZ ARG A 65 -18.392 12.599 -22.289 1.00 0.00 C ATOM 948 NH1 ARG A 65 -19.194 13.603 -21.962 1.00 0.00 N ATOM 949 NH2 ARG A 65 -18.491 11.441 -21.650 1.00 0.00 N ATOM 0 H ARG A 65 -15.116 17.874 -23.894 1.00 0.00 H new ATOM 0 HA ARG A 65 -14.460 15.912 -21.981 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -15.481 16.027 -24.787 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.765 14.507 -24.289 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -16.318 14.644 -22.223 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -17.157 15.921 -23.081 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -18.294 14.392 -24.277 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.793 13.777 -24.939 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.890 11.959 -23.481 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -19.121 14.495 -22.452 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -19.884 13.484 -21.221 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.876 10.667 -21.900 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.182 11.325 -20.909 1.00 0.00 H new ATOM 963 N ILE A 66 -12.250 16.434 -24.347 1.00 0.00 N ATOM 964 CA ILE A 66 -10.885 16.142 -24.768 1.00 0.00 C ATOM 965 C ILE A 66 -9.876 16.619 -23.728 1.00 0.00 C ATOM 966 O ILE A 66 -8.908 15.922 -23.421 1.00 0.00 O ATOM 967 CB ILE A 66 -10.560 16.800 -26.122 1.00 0.00 C ATOM 968 CG1 ILE A 66 -11.561 16.347 -27.187 1.00 0.00 C ATOM 969 CG2 ILE A 66 -9.138 16.465 -26.546 1.00 0.00 C ATOM 970 CD1 ILE A 66 -11.404 17.067 -28.508 1.00 0.00 C ATOM 0 H ILE A 66 -12.701 17.185 -24.870 1.00 0.00 H new ATOM 0 HA ILE A 66 -10.812 15.060 -24.873 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.640 17.882 -26.012 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.446 15.276 -27.350 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.573 16.505 -26.814 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.923 16.937 -27.505 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.438 16.833 -25.796 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.032 15.384 -26.642 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.146 16.696 -29.215 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -11.549 18.137 -28.359 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.404 16.888 -28.903 1.00 0.00 H new ATOM 982 N LEU A 67 -10.110 17.810 -23.188 1.00 0.00 N ATOM 983 CA LEU A 67 -9.222 18.380 -22.181 1.00 0.00 C ATOM 984 C LEU A 67 -8.990 17.395 -21.039 1.00 0.00 C ATOM 985 O LEU A 67 -7.850 17.136 -20.654 1.00 0.00 O ATOM 986 CB LEU A 67 -9.809 19.682 -21.634 1.00 0.00 C ATOM 987 CG LEU A 67 -9.116 20.970 -22.079 1.00 0.00 C ATOM 988 CD1 LEU A 67 -9.789 22.182 -21.454 1.00 0.00 C ATOM 989 CD2 LEU A 67 -7.638 20.933 -21.718 1.00 0.00 C ATOM 0 H LEU A 67 -10.906 18.399 -23.430 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.263 18.591 -22.655 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -10.857 19.737 -21.929 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.786 19.638 -20.545 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.203 21.051 -23.163 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.282 23.089 -21.782 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.834 22.218 -21.763 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.734 22.109 -20.368 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -7.161 21.858 -22.042 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.530 20.828 -20.638 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.163 20.087 -22.214 1.00 0.00 H new ATOM 1001 N GLN A 68 -10.077 16.848 -20.506 1.00 0.00 N ATOM 1002 CA GLN A 68 -9.991 15.890 -19.410 1.00 0.00 C ATOM 1003 C GLN A 68 -9.048 14.744 -19.762 1.00 0.00 C ATOM 1004 O GLN A 68 -8.187 14.370 -18.966 1.00 0.00 O ATOM 1005 CB GLN A 68 -11.378 15.340 -19.075 1.00 0.00 C ATOM 1006 CG GLN A 68 -11.933 15.851 -17.755 1.00 0.00 C ATOM 1007 CD GLN A 68 -12.618 17.197 -17.893 1.00 0.00 C ATOM 1008 OE1 GLN A 68 -13.833 17.272 -18.080 1.00 0.00 O ATOM 1009 NE2 GLN A 68 -11.841 18.269 -17.800 1.00 0.00 N ATOM 0 H GLN A 68 -11.028 17.051 -20.815 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.594 16.409 -18.538 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -12.068 15.605 -19.876 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.330 14.252 -19.042 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.643 15.125 -17.358 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.122 15.933 -17.031 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.839 18.161 -17.645 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.246 19.201 -17.884 1.00 0.00 H new ATOM 1018 N ALA A 69 -9.216 14.192 -20.958 1.00 0.00 N ATOM 1019 CA ALA A 69 -8.379 13.090 -21.416 1.00 0.00 C ATOM 1020 C ALA A 69 -6.906 13.484 -21.420 1.00 0.00 C ATOM 1021 O ALA A 69 -6.049 12.724 -20.969 1.00 0.00 O ATOM 1022 CB ALA A 69 -8.811 12.640 -22.804 1.00 0.00 C ATOM 0 H ALA A 69 -9.925 14.490 -21.628 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.504 12.259 -20.722 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.177 11.817 -23.133 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.849 12.309 -22.772 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.717 13.472 -23.502 1.00 0.00 H new ATOM 1028 N ILE A 70 -6.619 14.676 -21.932 1.00 0.00 N ATOM 1029 CA ILE A 70 -5.250 15.171 -21.994 1.00 0.00 C ATOM 1030 C ILE A 70 -4.706 15.461 -20.599 1.00 0.00 C ATOM 1031 O ILE A 70 -3.496 15.435 -20.377 1.00 0.00 O ATOM 1032 CB ILE A 70 -5.151 16.450 -22.847 1.00 0.00 C ATOM 1033 CG1 ILE A 70 -5.651 16.181 -24.268 1.00 0.00 C ATOM 1034 CG2 ILE A 70 -3.718 16.960 -22.872 1.00 0.00 C ATOM 1035 CD1 ILE A 70 -5.643 17.407 -25.153 1.00 0.00 C ATOM 0 H ILE A 70 -7.317 15.317 -22.310 1.00 0.00 H new ATOM 0 HA ILE A 70 -4.652 14.387 -22.459 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.782 17.218 -22.399 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.029 15.410 -24.723 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.665 15.785 -24.219 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.664 17.864 -23.479 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.394 17.185 -21.856 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.068 16.197 -23.300 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.010 17.142 -26.145 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.287 18.172 -24.720 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.626 17.792 -25.233 1.00 0.00 H new ATOM 1047 N GLN A 71 -5.609 15.734 -19.663 1.00 0.00 N ATOM 1048 CA GLN A 71 -5.220 16.027 -18.289 1.00 0.00 C ATOM 1049 C GLN A 71 -4.763 14.762 -17.571 1.00 0.00 C ATOM 1050 O GLN A 71 -3.973 14.821 -16.627 1.00 0.00 O ATOM 1051 CB GLN A 71 -6.385 16.665 -17.531 1.00 0.00 C ATOM 1052 CG GLN A 71 -6.358 18.185 -17.541 1.00 0.00 C ATOM 1053 CD GLN A 71 -6.771 18.785 -16.212 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -6.455 18.247 -15.150 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -7.482 19.906 -16.263 1.00 0.00 N ATOM 0 H GLN A 71 -6.615 15.758 -19.831 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.386 16.729 -18.316 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -7.323 16.324 -17.969 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.370 16.316 -16.498 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.353 18.525 -17.792 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.023 18.551 -18.323 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.721 20.317 -17.165 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.788 20.355 -15.400 1.00 0.00 H new ATOM 1064 N LEU A 72 -5.264 13.618 -18.023 1.00 0.00 N ATOM 1065 CA LEU A 72 -4.908 12.336 -17.423 1.00 0.00 C ATOM 1066 C LEU A 72 -3.704 11.720 -18.129 1.00 0.00 C ATOM 1067 O LEU A 72 -2.961 10.934 -17.541 1.00 0.00 O ATOM 1068 CB LEU A 72 -6.096 11.375 -17.483 1.00 0.00 C ATOM 1069 CG LEU A 72 -7.406 11.888 -16.884 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -8.543 10.925 -17.183 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -7.261 12.096 -15.383 1.00 0.00 C ATOM 0 H LEU A 72 -5.918 13.551 -18.803 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.644 12.512 -16.380 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.274 11.114 -18.526 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.820 10.455 -16.968 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.641 12.848 -17.343 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.467 11.307 -16.749 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.662 10.827 -18.262 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.316 9.949 -16.753 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.203 12.461 -14.974 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.001 11.150 -14.908 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.475 12.826 -15.191 1.00 0.00 H new ATOM 1083 N LEU A 73 -3.517 12.084 -19.393 1.00 0.00 N ATOM 1084 CA LEU A 73 -2.402 11.569 -20.181 1.00 0.00 C ATOM 1085 C LEU A 73 -1.081 11.761 -19.443 1.00 0.00 C ATOM 1086 O LEU A 73 -0.958 12.594 -18.545 1.00 0.00 O ATOM 1087 CB LEU A 73 -2.347 12.267 -21.540 1.00 0.00 C ATOM 1088 CG LEU A 73 -3.270 11.705 -22.622 1.00 0.00 C ATOM 1089 CD1 LEU A 73 -3.240 12.587 -23.861 1.00 0.00 C ATOM 1090 CD2 LEU A 73 -2.874 10.278 -22.971 1.00 0.00 C ATOM 0 H LEU A 73 -4.123 12.734 -19.894 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.559 10.501 -20.335 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.589 13.320 -21.395 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.322 12.223 -21.907 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.289 11.694 -22.234 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.903 12.171 -24.620 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.572 13.592 -23.600 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.223 12.631 -24.252 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.541 9.894 -23.742 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.848 10.265 -23.339 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.949 9.652 -22.082 1.00 0.00 H new ATOM 1102 N PRO A 74 -0.066 10.973 -19.831 1.00 0.00 N ATOM 1103 CA PRO A 74 1.265 11.040 -19.222 1.00 0.00 C ATOM 1104 C PRO A 74 2.001 12.328 -19.576 1.00 0.00 C ATOM 1105 O PRO A 74 1.811 12.885 -20.657 1.00 0.00 O ATOM 1106 CB PRO A 74 1.989 9.830 -19.818 1.00 0.00 C ATOM 1107 CG PRO A 74 1.296 9.574 -21.112 1.00 0.00 C ATOM 1108 CD PRO A 74 -0.142 9.958 -20.895 1.00 0.00 C ATOM 0 HA PRO A 74 1.216 11.031 -18.133 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.048 10.038 -19.970 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.926 8.966 -19.157 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.740 10.162 -21.915 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.381 8.526 -21.400 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.592 10.360 -21.803 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -0.745 9.102 -20.592 1.00 0.00 H new ATOM 1116 N SER A 75 2.841 12.795 -18.658 1.00 0.00 N ATOM 1117 CA SER A 75 3.603 14.020 -18.872 1.00 0.00 C ATOM 1118 C SER A 75 5.102 13.735 -18.868 1.00 0.00 C ATOM 1119 O SER A 75 5.879 14.429 -19.522 1.00 0.00 O ATOM 1120 CB SER A 75 3.266 15.051 -17.794 1.00 0.00 C ATOM 1121 OG SER A 75 4.330 15.970 -17.616 1.00 0.00 O ATOM 0 H SER A 75 3.011 12.344 -17.759 1.00 0.00 H new ATOM 0 HA SER A 75 3.329 14.422 -19.847 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.360 15.589 -18.072 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.059 14.543 -16.852 1.00 0.00 H new ATOM 0 HG SER A 75 4.089 16.619 -16.923 1.00 0.00 H new ATOM 1127 N GLY A 76 5.501 12.706 -18.126 1.00 0.00 N ATOM 1128 CA GLY A 76 6.905 12.346 -18.049 1.00 0.00 C ATOM 1129 C GLY A 76 7.127 10.851 -18.162 1.00 0.00 C ATOM 1130 O GLY A 76 6.221 10.091 -18.504 1.00 0.00 O ATOM 0 H GLY A 76 4.877 12.115 -17.577 1.00 0.00 H new ATOM 0 HA2 GLY A 76 7.451 12.852 -18.845 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.317 12.701 -17.104 1.00 0.00 H new ATOM 1134 N PRO A 77 8.359 10.409 -17.870 1.00 0.00 N ATOM 1135 CA PRO A 77 8.727 8.991 -17.934 1.00 0.00 C ATOM 1136 C PRO A 77 8.064 8.170 -16.833 1.00 0.00 C ATOM 1137 O PRO A 77 7.727 7.003 -17.033 1.00 0.00 O ATOM 1138 CB PRO A 77 10.246 9.010 -17.747 1.00 0.00 C ATOM 1139 CG PRO A 77 10.519 10.265 -16.993 1.00 0.00 C ATOM 1140 CD PRO A 77 9.488 11.258 -17.454 1.00 0.00 C ATOM 0 HA PRO A 77 8.405 8.528 -18.867 1.00 0.00 H new ATOM 0 HB2 PRO A 77 10.588 8.134 -17.195 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.763 9.004 -18.707 1.00 0.00 H new ATOM 0 HG2 PRO A 77 10.447 10.098 -15.918 1.00 0.00 H new ATOM 0 HG3 PRO A 77 11.527 10.628 -17.192 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.203 11.942 -16.655 1.00 0.00 H new ATOM 0 HD3 PRO A 77 9.858 11.868 -18.279 1.00 0.00 H new ATOM 1148 N SER A 78 7.881 8.787 -15.670 1.00 0.00 N ATOM 1149 CA SER A 78 7.262 8.112 -14.535 1.00 0.00 C ATOM 1150 C SER A 78 5.920 7.504 -14.931 1.00 0.00 C ATOM 1151 O SER A 78 5.403 7.767 -16.017 1.00 0.00 O ATOM 1152 CB SER A 78 7.069 9.090 -13.375 1.00 0.00 C ATOM 1153 OG SER A 78 8.065 10.099 -13.388 1.00 0.00 O ATOM 0 H SER A 78 8.153 9.753 -15.489 1.00 0.00 H new ATOM 0 HA SER A 78 7.926 7.308 -14.216 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.082 9.548 -13.441 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.107 8.549 -12.429 1.00 0.00 H new ATOM 0 HG SER A 78 7.743 10.870 -13.899 1.00 0.00 H new ATOM 1159 N SER A 79 5.361 6.688 -14.042 1.00 0.00 N ATOM 1160 CA SER A 79 4.081 6.039 -14.299 1.00 0.00 C ATOM 1161 C SER A 79 3.363 5.719 -12.992 1.00 0.00 C ATOM 1162 O SER A 79 3.905 5.921 -11.906 1.00 0.00 O ATOM 1163 CB SER A 79 4.289 4.757 -15.108 1.00 0.00 C ATOM 1164 OG SER A 79 4.587 5.051 -16.462 1.00 0.00 O ATOM 0 H SER A 79 5.775 6.461 -13.138 1.00 0.00 H new ATOM 0 HA SER A 79 3.461 6.726 -14.875 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.101 4.176 -14.672 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.392 4.140 -15.055 1.00 0.00 H new ATOM 0 HG SER A 79 4.758 6.011 -16.558 1.00 0.00 H new ATOM 1170 N GLY A 80 2.136 5.217 -13.105 1.00 0.00 N ATOM 1171 CA GLY A 80 1.362 4.877 -11.926 1.00 0.00 C ATOM 1172 C GLY A 80 0.196 3.961 -12.242 1.00 0.00 C ATOM 1173 O GLY A 80 -0.797 3.936 -11.515 1.00 0.00 O ATOM 0 H GLY A 80 1.665 5.040 -13.992 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.011 4.395 -11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.987 5.791 -11.465 1.00 0.00 H new TER 1177 GLY A 80