USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 539 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+ -113:sc= 0.0683 (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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0224 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -5.11! C(o=-5.1!,f=-5.6!) USER MOD Single : A 23 GLN : amide:sc= -2.96! C(o=-3!,f=-6!) USER MOD Single : A 29 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.78) USER MOD Single : A 31 TYR OH : rot 180:sc= -0.461 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.056 K(o=-0.056,f=-2) USER MOD Single : A 41 SER OG : rot 69:sc= 1.12 USER MOD Single : A 42 ASN : amide:sc= 1.02 K(o=1,f=-0.11) USER MOD Single : A 45 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.00045) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.19) USER MOD Single : A 57 ASN : amide:sc= 1.11 K(o=1.1,f=-0.0088) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 11:sc= 0.995 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.511 -4.163 -15.937 1.00 0.00 N ATOM 2 CA GLY A 1 10.857 -4.611 -17.153 1.00 0.00 C ATOM 3 C GLY A 1 10.557 -3.469 -18.104 1.00 0.00 C ATOM 4 O GLY A 1 10.543 -2.306 -17.703 1.00 0.00 O ATOM 0 H1 GLY A 1 12.483 -4.531 -15.910 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.534 -3.123 -15.918 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.985 -4.513 -15.111 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.492 -5.341 -17.655 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.928 -5.120 -16.896 1.00 0.00 H new ATOM 8 N SER A 2 10.317 -3.802 -19.368 1.00 0.00 N ATOM 9 CA SER A 2 10.022 -2.796 -20.381 1.00 0.00 C ATOM 10 C SER A 2 8.570 -2.896 -20.839 1.00 0.00 C ATOM 11 O SER A 2 8.108 -3.962 -21.245 1.00 0.00 O ATOM 12 CB SER A 2 10.959 -2.956 -21.580 1.00 0.00 C ATOM 13 OG SER A 2 11.108 -1.733 -22.278 1.00 0.00 O ATOM 0 H SER A 2 10.321 -4.761 -19.715 1.00 0.00 H new ATOM 0 HA SER A 2 10.178 -1.813 -19.937 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.934 -3.305 -21.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.566 -3.717 -22.254 1.00 0.00 H new ATOM 0 HG SER A 2 11.713 -1.862 -23.038 1.00 0.00 H new ATOM 19 N SER A 3 7.856 -1.777 -20.771 1.00 0.00 N ATOM 20 CA SER A 3 6.455 -1.738 -21.175 1.00 0.00 C ATOM 21 C SER A 3 6.223 -0.660 -22.229 1.00 0.00 C ATOM 22 O SER A 3 6.925 0.350 -22.265 1.00 0.00 O ATOM 23 CB SER A 3 5.559 -1.483 -19.961 1.00 0.00 C ATOM 24 OG SER A 3 5.671 -2.532 -19.015 1.00 0.00 O ATOM 0 H SER A 3 8.224 -0.885 -20.440 1.00 0.00 H new ATOM 0 HA SER A 3 6.200 -2.705 -21.608 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.834 -0.537 -19.494 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.522 -1.389 -20.284 1.00 0.00 H new ATOM 0 HG SER A 3 5.090 -2.344 -18.248 1.00 0.00 H new ATOM 30 N GLY A 4 5.231 -0.882 -23.086 1.00 0.00 N ATOM 31 CA GLY A 4 4.923 0.079 -24.129 1.00 0.00 C ATOM 32 C GLY A 4 3.432 0.300 -24.292 1.00 0.00 C ATOM 33 O GLY A 4 2.634 -0.196 -23.497 1.00 0.00 O ATOM 0 H GLY A 4 4.635 -1.710 -23.077 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.405 1.029 -23.897 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.341 -0.268 -25.074 1.00 0.00 H new ATOM 37 N SER A 5 3.056 1.048 -25.324 1.00 0.00 N ATOM 38 CA SER A 5 1.651 1.339 -25.585 1.00 0.00 C ATOM 39 C SER A 5 0.974 0.165 -26.286 1.00 0.00 C ATOM 40 O SER A 5 1.042 0.035 -27.509 1.00 0.00 O ATOM 41 CB SER A 5 1.520 2.602 -26.439 1.00 0.00 C ATOM 42 OG SER A 5 1.891 3.755 -25.704 1.00 0.00 O ATOM 0 H SER A 5 3.704 1.464 -25.993 1.00 0.00 H new ATOM 0 HA SER A 5 1.156 1.503 -24.628 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.150 2.513 -27.324 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.492 2.704 -26.788 1.00 0.00 H new ATOM 0 HG SER A 5 1.800 4.548 -26.272 1.00 0.00 H new ATOM 48 N SER A 6 0.323 -0.689 -25.503 1.00 0.00 N ATOM 49 CA SER A 6 -0.363 -1.855 -26.047 1.00 0.00 C ATOM 50 C SER A 6 -1.830 -1.868 -25.626 1.00 0.00 C ATOM 51 O SER A 6 -2.207 -2.541 -24.668 1.00 0.00 O ATOM 52 CB SER A 6 0.324 -3.140 -25.581 1.00 0.00 C ATOM 53 OG SER A 6 1.444 -3.442 -26.394 1.00 0.00 O ATOM 0 H SER A 6 0.256 -0.595 -24.490 1.00 0.00 H new ATOM 0 HA SER A 6 -0.316 -1.799 -27.135 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.642 -3.031 -24.544 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.385 -3.967 -25.611 1.00 0.00 H new ATOM 0 HG SER A 6 1.867 -4.266 -26.075 1.00 0.00 H new ATOM 59 N GLY A 7 -2.654 -1.117 -26.352 1.00 0.00 N ATOM 60 CA GLY A 7 -4.070 -1.055 -26.039 1.00 0.00 C ATOM 61 C GLY A 7 -4.545 0.360 -25.780 1.00 0.00 C ATOM 62 O GLY A 7 -3.811 1.176 -25.221 1.00 0.00 O ATOM 0 H GLY A 7 -2.366 -0.551 -27.150 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.640 -1.481 -26.864 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.272 -1.669 -25.161 1.00 0.00 H new ATOM 66 N ARG A 8 -5.775 0.654 -26.189 1.00 0.00 N ATOM 67 CA ARG A 8 -6.346 1.982 -26.000 1.00 0.00 C ATOM 68 C ARG A 8 -6.631 2.247 -24.524 1.00 0.00 C ATOM 69 O ARG A 8 -7.514 1.627 -23.932 1.00 0.00 O ATOM 70 CB ARG A 8 -7.633 2.128 -26.814 1.00 0.00 C ATOM 71 CG ARG A 8 -8.186 3.543 -26.830 1.00 0.00 C ATOM 72 CD ARG A 8 -9.592 3.585 -27.409 1.00 0.00 C ATOM 73 NE ARG A 8 -10.606 3.260 -26.410 1.00 0.00 N ATOM 74 CZ ARG A 8 -11.080 4.137 -25.532 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.635 5.386 -25.531 1.00 0.00 N ATOM 76 NH2 ARG A 8 -12.003 3.766 -24.654 1.00 0.00 N ATOM 0 H ARG A 8 -6.395 -0.010 -26.653 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.619 2.715 -26.349 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.443 1.810 -27.839 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.389 1.456 -26.407 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.197 3.942 -25.816 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.530 4.185 -27.418 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.788 4.578 -27.814 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.663 2.882 -28.239 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.970 2.308 -26.385 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.927 5.676 -26.206 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.001 6.057 -24.856 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.349 2.807 -24.653 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -12.366 4.440 -23.980 1.00 0.00 H new ATOM 90 N SER A 9 -5.878 3.171 -23.937 1.00 0.00 N ATOM 91 CA SER A 9 -6.047 3.514 -22.530 1.00 0.00 C ATOM 92 C SER A 9 -6.311 2.266 -21.694 1.00 0.00 C ATOM 93 O SER A 9 -7.168 2.267 -20.810 1.00 0.00 O ATOM 94 CB SER A 9 -7.197 4.509 -22.361 1.00 0.00 C ATOM 95 OG SER A 9 -6.769 5.834 -22.623 1.00 0.00 O ATOM 0 H SER A 9 -5.145 3.696 -24.414 1.00 0.00 H new ATOM 0 HA SER A 9 -5.123 3.975 -22.180 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.011 4.246 -23.037 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.591 4.445 -21.347 1.00 0.00 H new ATOM 0 HG SER A 9 -7.523 6.450 -22.510 1.00 0.00 H new ATOM 101 N SER A 10 -5.569 1.201 -21.981 1.00 0.00 N ATOM 102 CA SER A 10 -5.726 -0.056 -21.260 1.00 0.00 C ATOM 103 C SER A 10 -4.433 -0.437 -20.545 1.00 0.00 C ATOM 104 O SER A 10 -3.339 -0.271 -21.086 1.00 0.00 O ATOM 105 CB SER A 10 -6.137 -1.173 -22.221 1.00 0.00 C ATOM 106 OG SER A 10 -6.557 -2.327 -21.513 1.00 0.00 O ATOM 0 H SER A 10 -4.853 1.184 -22.708 1.00 0.00 H new ATOM 0 HA SER A 10 -6.509 0.078 -20.514 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.944 -0.824 -22.865 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.298 -1.426 -22.870 1.00 0.00 H new ATOM 0 HG SER A 10 -6.816 -3.025 -22.150 1.00 0.00 H new ATOM 112 N ARG A 11 -4.566 -0.946 -19.325 1.00 0.00 N ATOM 113 CA ARG A 11 -3.410 -1.349 -18.534 1.00 0.00 C ATOM 114 C ARG A 11 -3.845 -2.079 -17.266 1.00 0.00 C ATOM 115 O ARG A 11 -5.014 -2.036 -16.882 1.00 0.00 O ATOM 116 CB ARG A 11 -2.565 -0.127 -18.167 1.00 0.00 C ATOM 117 CG ARG A 11 -3.310 0.897 -17.327 1.00 0.00 C ATOM 118 CD ARG A 11 -2.522 2.191 -17.198 1.00 0.00 C ATOM 119 NE ARG A 11 -2.849 2.912 -15.971 1.00 0.00 N ATOM 120 CZ ARG A 11 -4.029 3.477 -15.743 1.00 0.00 C ATOM 121 NH1 ARG A 11 -4.990 3.405 -16.654 1.00 0.00 N ATOM 122 NH2 ARG A 11 -4.251 4.116 -14.601 1.00 0.00 N ATOM 0 H ARG A 11 -5.464 -1.089 -18.862 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.809 -2.030 -19.137 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.681 -0.457 -17.622 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.216 0.351 -19.082 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.280 1.104 -17.779 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.502 0.486 -16.336 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.455 1.969 -17.214 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.728 2.828 -18.058 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.132 2.986 -15.249 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.824 2.915 -17.533 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.895 3.840 -16.476 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.515 4.174 -13.897 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.158 4.550 -14.427 1.00 0.00 H new ATOM 136 N THR A 12 -2.896 -2.751 -16.621 1.00 0.00 N ATOM 137 CA THR A 12 -3.181 -3.491 -15.398 1.00 0.00 C ATOM 138 C THR A 12 -3.482 -2.546 -14.241 1.00 0.00 C ATOM 139 O THR A 12 -2.586 -2.171 -13.484 1.00 0.00 O ATOM 140 CB THR A 12 -2.005 -4.405 -15.008 1.00 0.00 C ATOM 141 OG1 THR A 12 -1.651 -5.247 -16.112 1.00 0.00 O ATOM 142 CG2 THR A 12 -2.362 -5.263 -13.804 1.00 0.00 C ATOM 0 H THR A 12 -1.924 -2.798 -16.925 1.00 0.00 H new ATOM 0 HA THR A 12 -4.058 -4.106 -15.598 1.00 0.00 H new ATOM 0 HB THR A 12 -1.156 -3.774 -14.746 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.901 -5.824 -15.856 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.516 -5.900 -13.547 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.602 -4.620 -12.957 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.225 -5.885 -14.043 1.00 0.00 H new ATOM 150 N ARG A 13 -4.748 -2.166 -14.107 1.00 0.00 N ATOM 151 CA ARG A 13 -5.166 -1.264 -13.040 1.00 0.00 C ATOM 152 C ARG A 13 -5.790 -2.041 -11.885 1.00 0.00 C ATOM 153 O ARG A 13 -6.910 -2.541 -11.992 1.00 0.00 O ATOM 154 CB ARG A 13 -6.165 -0.236 -13.575 1.00 0.00 C ATOM 155 CG ARG A 13 -6.305 0.994 -12.692 1.00 0.00 C ATOM 156 CD ARG A 13 -6.838 2.184 -13.475 1.00 0.00 C ATOM 157 NE ARG A 13 -6.594 3.447 -12.784 1.00 0.00 N ATOM 158 CZ ARG A 13 -7.314 4.545 -12.983 1.00 0.00 C ATOM 159 NH1 ARG A 13 -8.320 4.534 -13.847 1.00 0.00 N ATOM 160 NH2 ARG A 13 -7.030 5.656 -12.316 1.00 0.00 N ATOM 0 H ARG A 13 -5.502 -2.468 -14.724 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.282 -0.744 -12.670 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.853 0.076 -14.572 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.141 -0.710 -13.680 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.976 0.773 -11.862 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.336 1.246 -12.260 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.367 2.212 -14.458 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.909 2.061 -13.638 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.828 3.488 -12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.542 3.681 -14.360 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.872 5.379 -13.998 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.258 5.667 -11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.584 6.499 -12.470 1.00 0.00 H new ATOM 174 N PHE A 14 -5.057 -2.138 -10.780 1.00 0.00 N ATOM 175 CA PHE A 14 -5.538 -2.855 -9.605 1.00 0.00 C ATOM 176 C PHE A 14 -6.681 -2.098 -8.935 1.00 0.00 C ATOM 177 O PHE A 14 -6.834 -0.890 -9.119 1.00 0.00 O ATOM 178 CB PHE A 14 -4.397 -3.065 -8.607 1.00 0.00 C ATOM 179 CG PHE A 14 -3.121 -3.535 -9.246 1.00 0.00 C ATOM 180 CD1 PHE A 14 -2.253 -2.632 -9.838 1.00 0.00 C ATOM 181 CD2 PHE A 14 -2.790 -4.880 -9.254 1.00 0.00 C ATOM 182 CE1 PHE A 14 -1.078 -3.061 -10.426 1.00 0.00 C ATOM 183 CE2 PHE A 14 -1.617 -5.316 -9.840 1.00 0.00 C ATOM 184 CZ PHE A 14 -0.760 -4.405 -10.428 1.00 0.00 C ATOM 0 H PHE A 14 -4.128 -1.729 -10.674 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.911 -3.826 -9.931 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.208 -2.129 -8.082 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.709 -3.793 -7.858 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.497 -1.580 -9.840 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.457 -5.596 -8.797 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.410 -2.346 -10.883 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.370 -6.367 -9.839 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.157 -4.743 -10.888 1.00 0.00 H new ATOM 194 N THR A 15 -7.484 -2.818 -8.157 1.00 0.00 N ATOM 195 CA THR A 15 -8.614 -2.216 -7.461 1.00 0.00 C ATOM 196 C THR A 15 -8.321 -2.054 -5.974 1.00 0.00 C ATOM 197 O THR A 15 -7.489 -2.768 -5.414 1.00 0.00 O ATOM 198 CB THR A 15 -9.892 -3.059 -7.632 1.00 0.00 C ATOM 199 OG1 THR A 15 -10.999 -2.403 -7.004 1.00 0.00 O ATOM 200 CG2 THR A 15 -9.711 -4.445 -7.033 1.00 0.00 C ATOM 0 H THR A 15 -7.372 -3.819 -7.993 1.00 0.00 H new ATOM 0 HA THR A 15 -8.773 -1.234 -7.906 1.00 0.00 H new ATOM 0 HB THR A 15 -10.090 -3.165 -8.699 1.00 0.00 H new ATOM 0 HG1 THR A 15 -11.808 -2.944 -7.119 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.627 -5.021 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.887 -4.953 -7.534 1.00 0.00 H new ATOM 0 HG23 THR A 15 -9.490 -4.356 -5.969 1.00 0.00 H new ATOM 208 N ASP A 16 -9.010 -1.112 -5.340 1.00 0.00 N ATOM 209 CA ASP A 16 -8.825 -0.857 -3.916 1.00 0.00 C ATOM 210 C ASP A 16 -8.540 -2.154 -3.165 1.00 0.00 C ATOM 211 O ASP A 16 -7.627 -2.218 -2.341 1.00 0.00 O ATOM 212 CB ASP A 16 -10.064 -0.177 -3.332 1.00 0.00 C ATOM 213 CG ASP A 16 -10.087 1.315 -3.600 1.00 0.00 C ATOM 214 OD1 ASP A 16 -9.248 2.035 -3.019 1.00 0.00 O ATOM 215 OD2 ASP A 16 -10.942 1.762 -4.392 1.00 0.00 O ATOM 0 H ASP A 16 -9.702 -0.512 -5.789 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.968 -0.194 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.959 -0.633 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.097 -0.350 -2.256 1.00 0.00 H new ATOM 220 N TYR A 17 -9.327 -3.184 -3.453 1.00 0.00 N ATOM 221 CA TYR A 17 -9.162 -4.478 -2.802 1.00 0.00 C ATOM 222 C TYR A 17 -7.731 -4.985 -2.954 1.00 0.00 C ATOM 223 O TYR A 17 -7.094 -5.379 -1.977 1.00 0.00 O ATOM 224 CB TYR A 17 -10.141 -5.497 -3.389 1.00 0.00 C ATOM 225 CG TYR A 17 -9.736 -6.934 -3.148 1.00 0.00 C ATOM 226 CD1 TYR A 17 -9.283 -7.349 -1.902 1.00 0.00 C ATOM 227 CD2 TYR A 17 -9.805 -7.876 -4.167 1.00 0.00 C ATOM 228 CE1 TYR A 17 -8.912 -8.660 -1.677 1.00 0.00 C ATOM 229 CE2 TYR A 17 -9.438 -9.190 -3.951 1.00 0.00 C ATOM 230 CZ TYR A 17 -8.991 -9.577 -2.705 1.00 0.00 C ATOM 231 OH TYR A 17 -8.623 -10.885 -2.486 1.00 0.00 O ATOM 0 H TYR A 17 -10.086 -3.148 -4.133 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.373 -4.352 -1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -11.128 -5.329 -2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.228 -5.328 -4.462 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.220 -6.634 -1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.152 -7.576 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.562 -8.966 -0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.501 -9.910 -4.753 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.739 -11.400 -3.312 1.00 0.00 H new ATOM 241 N GLN A 18 -7.233 -4.972 -4.186 1.00 0.00 N ATOM 242 CA GLN A 18 -5.878 -5.431 -4.467 1.00 0.00 C ATOM 243 C GLN A 18 -4.847 -4.428 -3.957 1.00 0.00 C ATOM 244 O GLN A 18 -3.923 -4.789 -3.227 1.00 0.00 O ATOM 245 CB GLN A 18 -5.692 -5.651 -5.969 1.00 0.00 C ATOM 246 CG GLN A 18 -6.691 -6.627 -6.569 1.00 0.00 C ATOM 247 CD GLN A 18 -6.124 -7.392 -7.748 1.00 0.00 C ATOM 248 OE1 GLN A 18 -5.597 -6.802 -8.691 1.00 0.00 O ATOM 249 NE2 GLN A 18 -6.228 -8.715 -7.700 1.00 0.00 N ATOM 0 H GLN A 18 -7.747 -4.649 -5.005 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.727 -6.377 -3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.780 -4.693 -6.482 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.682 -6.019 -6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -7.009 -7.333 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.579 -6.082 -6.888 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.673 -9.163 -6.899 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.863 -9.283 -8.464 1.00 0.00 H new ATOM 258 N LEU A 19 -5.012 -3.169 -4.346 1.00 0.00 N ATOM 259 CA LEU A 19 -4.095 -2.113 -3.928 1.00 0.00 C ATOM 260 C LEU A 19 -3.995 -2.050 -2.408 1.00 0.00 C ATOM 261 O LEU A 19 -2.960 -1.670 -1.859 1.00 0.00 O ATOM 262 CB LEU A 19 -4.558 -0.763 -4.477 1.00 0.00 C ATOM 263 CG LEU A 19 -4.466 -0.587 -5.993 1.00 0.00 C ATOM 264 CD1 LEU A 19 -5.029 0.763 -6.409 1.00 0.00 C ATOM 265 CD2 LEU A 19 -3.025 -0.732 -6.460 1.00 0.00 C ATOM 0 H LEU A 19 -5.771 -2.854 -4.950 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.108 -2.342 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.594 -0.607 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.967 0.021 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.061 -1.368 -6.467 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.955 0.870 -7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.075 0.829 -6.108 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.461 1.558 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.978 -0.604 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.408 0.026 -5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.655 -1.723 -6.196 1.00 0.00 H new ATOM 277 N ARG A 20 -5.076 -2.426 -1.732 1.00 0.00 N ATOM 278 CA ARG A 20 -5.109 -2.413 -0.275 1.00 0.00 C ATOM 279 C ARG A 20 -4.135 -3.438 0.301 1.00 0.00 C ATOM 280 O ARG A 20 -3.379 -3.141 1.225 1.00 0.00 O ATOM 281 CB ARG A 20 -6.525 -2.701 0.227 1.00 0.00 C ATOM 282 CG ARG A 20 -6.659 -2.641 1.740 1.00 0.00 C ATOM 283 CD ARG A 20 -6.408 -1.236 2.266 1.00 0.00 C ATOM 284 NE ARG A 20 -6.842 -1.086 3.652 1.00 0.00 N ATOM 285 CZ ARG A 20 -7.172 0.081 4.197 1.00 0.00 C ATOM 286 NH1 ARG A 20 -7.118 1.192 3.475 1.00 0.00 N ATOM 287 NH2 ARG A 20 -7.557 0.137 5.465 1.00 0.00 N ATOM 0 H ARG A 20 -5.940 -2.743 -2.171 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.806 -1.421 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.213 -1.982 -0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.829 -3.689 -0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.658 -2.967 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.952 -3.333 2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.345 -1.005 2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.935 -0.515 1.641 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.895 -1.922 4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.823 1.152 2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.372 2.086 3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.600 -0.716 6.023 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.810 1.033 5.882 1.00 0.00 H new ATOM 301 N VAL A 21 -4.161 -4.646 -0.253 1.00 0.00 N ATOM 302 CA VAL A 21 -3.281 -5.715 0.204 1.00 0.00 C ATOM 303 C VAL A 21 -1.847 -5.482 -0.258 1.00 0.00 C ATOM 304 O VAL A 21 -0.897 -5.705 0.493 1.00 0.00 O ATOM 305 CB VAL A 21 -3.756 -7.089 -0.304 1.00 0.00 C ATOM 306 CG1 VAL A 21 -2.810 -8.187 0.158 1.00 0.00 C ATOM 307 CG2 VAL A 21 -5.177 -7.367 0.162 1.00 0.00 C ATOM 0 H VAL A 21 -4.782 -4.909 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.314 -5.708 1.293 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.752 -7.075 -1.394 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.163 -9.150 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.810 -7.993 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.778 -8.205 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.496 -8.342 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.210 -7.362 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.844 -6.597 -0.225 1.00 0.00 H new ATOM 317 N LEU A 22 -1.698 -5.033 -1.499 1.00 0.00 N ATOM 318 CA LEU A 22 -0.379 -4.768 -2.064 1.00 0.00 C ATOM 319 C LEU A 22 0.320 -3.641 -1.310 1.00 0.00 C ATOM 320 O LEU A 22 1.499 -3.744 -0.973 1.00 0.00 O ATOM 321 CB LEU A 22 -0.499 -4.409 -3.546 1.00 0.00 C ATOM 322 CG LEU A 22 -1.053 -5.503 -4.458 1.00 0.00 C ATOM 323 CD1 LEU A 22 -1.407 -4.932 -5.823 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.051 -6.640 -4.598 1.00 0.00 C ATOM 0 H LEU A 22 -2.474 -4.845 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 22 0.220 -5.673 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.138 -3.531 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.488 -4.124 -3.911 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.962 -5.900 -4.006 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.800 -5.726 -6.459 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.161 -4.153 -5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.514 -4.508 -6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.463 -7.410 -5.251 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.875 -6.258 -5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.153 -7.068 -3.617 1.00 0.00 H new ATOM 336 N GLN A 23 -0.417 -2.566 -1.049 1.00 0.00 N ATOM 337 CA GLN A 23 0.132 -1.420 -0.334 1.00 0.00 C ATOM 338 C GLN A 23 0.398 -1.766 1.128 1.00 0.00 C ATOM 339 O GLN A 23 1.391 -1.329 1.708 1.00 0.00 O ATOM 340 CB GLN A 23 -0.825 -0.230 -0.423 1.00 0.00 C ATOM 341 CG GLN A 23 -0.137 1.117 -0.278 1.00 0.00 C ATOM 342 CD GLN A 23 0.917 1.120 0.812 1.00 0.00 C ATOM 343 OE1 GLN A 23 0.599 1.066 2.000 1.00 0.00 O ATOM 344 NE2 GLN A 23 2.182 1.182 0.412 1.00 0.00 N ATOM 0 H GLN A 23 -1.395 -2.465 -1.322 1.00 0.00 H new ATOM 0 HA GLN A 23 1.079 -1.151 -0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.343 -0.262 -1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.584 -0.326 0.353 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.326 1.388 -1.227 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.884 1.880 -0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.401 1.225 -0.583 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.935 1.186 1.100 1.00 0.00 H new ATOM 353 N ASP A 24 -0.497 -2.552 1.716 1.00 0.00 N ATOM 354 CA ASP A 24 -0.359 -2.958 3.110 1.00 0.00 C ATOM 355 C ASP A 24 0.913 -3.775 3.315 1.00 0.00 C ATOM 356 O ASP A 24 1.599 -3.632 4.327 1.00 0.00 O ATOM 357 CB ASP A 24 -1.578 -3.770 3.550 1.00 0.00 C ATOM 358 CG ASP A 24 -1.486 -4.214 4.997 1.00 0.00 C ATOM 359 OD1 ASP A 24 -0.357 -4.444 5.476 1.00 0.00 O ATOM 360 OD2 ASP A 24 -2.545 -4.331 5.650 1.00 0.00 O ATOM 0 H ASP A 24 -1.326 -2.921 1.249 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.293 -2.057 3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.478 -3.171 3.413 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.678 -4.646 2.910 1.00 0.00 H new ATOM 365 N PHE A 25 1.222 -4.632 2.348 1.00 0.00 N ATOM 366 CA PHE A 25 2.410 -5.474 2.423 1.00 0.00 C ATOM 367 C PHE A 25 3.672 -4.657 2.165 1.00 0.00 C ATOM 368 O PHE A 25 4.750 -4.985 2.661 1.00 0.00 O ATOM 369 CB PHE A 25 2.315 -6.619 1.412 1.00 0.00 C ATOM 370 CG PHE A 25 3.326 -7.706 1.641 1.00 0.00 C ATOM 371 CD1 PHE A 25 4.674 -7.474 1.419 1.00 0.00 C ATOM 372 CD2 PHE A 25 2.928 -8.960 2.076 1.00 0.00 C ATOM 373 CE1 PHE A 25 5.607 -8.473 1.629 1.00 0.00 C ATOM 374 CE2 PHE A 25 3.856 -9.961 2.288 1.00 0.00 C ATOM 375 CZ PHE A 25 5.197 -9.718 2.063 1.00 0.00 C ATOM 0 H PHE A 25 0.666 -4.762 1.503 1.00 0.00 H new ATOM 0 HA PHE A 25 2.467 -5.890 3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.314 -7.049 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.446 -6.218 0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.000 -6.502 1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.881 -9.157 2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.655 -8.280 1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.533 -10.933 2.630 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.923 -10.500 2.226 1.00 0.00 H new ATOM 385 N PHE A 26 3.531 -3.590 1.385 1.00 0.00 N ATOM 386 CA PHE A 26 4.659 -2.726 1.059 1.00 0.00 C ATOM 387 C PHE A 26 5.044 -1.861 2.255 1.00 0.00 C ATOM 388 O PHE A 26 6.220 -1.754 2.605 1.00 0.00 O ATOM 389 CB PHE A 26 4.319 -1.838 -0.139 1.00 0.00 C ATOM 390 CG PHE A 26 5.406 -0.862 -0.490 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.537 0.328 0.206 1.00 0.00 C ATOM 392 CD2 PHE A 26 6.297 -1.136 -1.515 1.00 0.00 C ATOM 393 CE1 PHE A 26 6.536 1.228 -0.115 1.00 0.00 C ATOM 394 CE2 PHE A 26 7.298 -0.241 -1.841 1.00 0.00 C ATOM 395 CZ PHE A 26 7.418 0.943 -1.139 1.00 0.00 C ATOM 0 H PHE A 26 2.646 -3.303 0.967 1.00 0.00 H new ATOM 0 HA PHE A 26 5.508 -3.360 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.116 -2.470 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.403 -1.288 0.075 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.851 0.555 1.009 1.00 0.00 H new ATOM 0 HD2 PHE A 26 6.208 -2.061 -2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.627 2.153 0.435 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.985 -0.467 -2.643 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.200 1.644 -1.390 1.00 0.00 H new ATOM 405 N ASP A 27 4.046 -1.244 2.878 1.00 0.00 N ATOM 406 CA ASP A 27 4.278 -0.388 4.035 1.00 0.00 C ATOM 407 C ASP A 27 5.071 -1.128 5.108 1.00 0.00 C ATOM 408 O ASP A 27 5.814 -0.518 5.876 1.00 0.00 O ATOM 409 CB ASP A 27 2.948 0.099 4.611 1.00 0.00 C ATOM 410 CG ASP A 27 3.133 1.168 5.671 1.00 0.00 C ATOM 411 OD1 ASP A 27 3.971 0.968 6.574 1.00 0.00 O ATOM 412 OD2 ASP A 27 2.438 2.204 5.596 1.00 0.00 O ATOM 0 H ASP A 27 3.067 -1.321 2.601 1.00 0.00 H new ATOM 0 HA ASP A 27 4.860 0.473 3.708 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.329 0.494 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.410 -0.746 5.041 1.00 0.00 H new ATOM 417 N ALA A 28 4.907 -2.446 5.154 1.00 0.00 N ATOM 418 CA ALA A 28 5.608 -3.269 6.132 1.00 0.00 C ATOM 419 C ALA A 28 6.878 -3.866 5.537 1.00 0.00 C ATOM 420 O ALA A 28 7.923 -3.900 6.186 1.00 0.00 O ATOM 421 CB ALA A 28 4.694 -4.372 6.646 1.00 0.00 C ATOM 0 H ALA A 28 4.295 -2.967 4.526 1.00 0.00 H new ATOM 0 HA ALA A 28 5.895 -2.631 6.968 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.231 -4.979 7.375 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.818 -3.928 7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.378 -5.001 5.813 1.00 0.00 H new ATOM 427 N ASN A 29 6.781 -4.337 4.298 1.00 0.00 N ATOM 428 CA ASN A 29 7.923 -4.935 3.616 1.00 0.00 C ATOM 429 C ASN A 29 7.859 -4.671 2.114 1.00 0.00 C ATOM 430 O ASN A 29 6.850 -4.949 1.467 1.00 0.00 O ATOM 431 CB ASN A 29 7.970 -6.441 3.878 1.00 0.00 C ATOM 432 CG ASN A 29 9.233 -7.084 3.338 1.00 0.00 C ATOM 433 OD1 ASN A 29 10.325 -6.529 3.459 1.00 0.00 O ATOM 434 ND2 ASN A 29 9.088 -8.260 2.739 1.00 0.00 N ATOM 0 H ASN A 29 5.924 -4.316 3.746 1.00 0.00 H new ATOM 0 HA ASN A 29 8.830 -4.476 4.010 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.904 -6.622 4.951 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.101 -6.914 3.420 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.902 -8.741 2.356 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.163 -8.682 2.662 1.00 0.00 H new ATOM 441 N ALA A 30 8.944 -4.132 1.567 1.00 0.00 N ATOM 442 CA ALA A 30 9.012 -3.833 0.142 1.00 0.00 C ATOM 443 C ALA A 30 10.176 -4.565 -0.517 1.00 0.00 C ATOM 444 O ALA A 30 10.526 -4.289 -1.665 1.00 0.00 O ATOM 445 CB ALA A 30 9.138 -2.333 -0.077 1.00 0.00 C ATOM 0 H ALA A 30 9.787 -3.894 2.089 1.00 0.00 H new ATOM 0 HA ALA A 30 8.089 -4.180 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.188 -2.124 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.272 -1.829 0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.045 -1.970 0.406 1.00 0.00 H new ATOM 451 N TYR A 31 10.773 -5.499 0.215 1.00 0.00 N ATOM 452 CA TYR A 31 11.901 -6.268 -0.298 1.00 0.00 C ATOM 453 C TYR A 31 11.736 -7.752 0.018 1.00 0.00 C ATOM 454 O TYR A 31 12.681 -8.439 0.406 1.00 0.00 O ATOM 455 CB TYR A 31 13.211 -5.751 0.298 1.00 0.00 C ATOM 456 CG TYR A 31 13.467 -4.287 0.019 1.00 0.00 C ATOM 457 CD1 TYR A 31 12.995 -3.303 0.879 1.00 0.00 C ATOM 458 CD2 TYR A 31 14.181 -3.888 -1.104 1.00 0.00 C ATOM 459 CE1 TYR A 31 13.226 -1.964 0.627 1.00 0.00 C ATOM 460 CE2 TYR A 31 14.418 -2.552 -1.363 1.00 0.00 C ATOM 461 CZ TYR A 31 13.938 -1.594 -0.495 1.00 0.00 C ATOM 462 OH TYR A 31 14.171 -0.261 -0.748 1.00 0.00 O ATOM 0 H TYR A 31 10.495 -5.742 1.166 1.00 0.00 H new ATOM 0 HA TYR A 31 11.929 -6.146 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.197 -5.910 1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 31 14.038 -6.338 -0.100 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.438 -3.589 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.557 -4.636 -1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.851 -1.211 1.305 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.976 -2.259 -2.240 1.00 0.00 H new ATOM 0 HH TYR A 31 14.687 -0.171 -1.576 1.00 0.00 H new ATOM 472 N PRO A 32 10.506 -8.259 -0.153 1.00 0.00 N ATOM 473 CA PRO A 32 10.188 -9.666 0.107 1.00 0.00 C ATOM 474 C PRO A 32 10.822 -10.602 -0.916 1.00 0.00 C ATOM 475 O PRO A 32 11.224 -10.175 -1.999 1.00 0.00 O ATOM 476 CB PRO A 32 8.661 -9.710 -0.003 1.00 0.00 C ATOM 477 CG PRO A 32 8.312 -8.567 -0.892 1.00 0.00 C ATOM 478 CD PRO A 32 9.333 -7.498 -0.612 1.00 0.00 C ATOM 0 HA PRO A 32 10.570 -9.999 1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 32 8.322 -10.657 -0.424 1.00 0.00 H new ATOM 0 HB3 PRO A 32 8.191 -9.609 0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 32 8.337 -8.866 -1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.304 -8.207 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.557 -6.913 -1.504 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.985 -6.799 0.148 1.00 0.00 H new ATOM 486 N LYS A 33 10.908 -11.881 -0.567 1.00 0.00 N ATOM 487 CA LYS A 33 11.492 -12.880 -1.455 1.00 0.00 C ATOM 488 C LYS A 33 10.408 -13.605 -2.246 1.00 0.00 C ATOM 489 O LYS A 33 9.222 -13.498 -1.934 1.00 0.00 O ATOM 490 CB LYS A 33 12.314 -13.889 -0.651 1.00 0.00 C ATOM 491 CG LYS A 33 13.493 -13.270 0.079 1.00 0.00 C ATOM 492 CD LYS A 33 14.622 -14.270 0.263 1.00 0.00 C ATOM 493 CE LYS A 33 14.356 -15.202 1.435 1.00 0.00 C ATOM 494 NZ LYS A 33 15.389 -16.270 1.541 1.00 0.00 N ATOM 0 H LYS A 33 10.580 -12.251 0.325 1.00 0.00 H new ATOM 0 HA LYS A 33 12.147 -12.366 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.664 -14.378 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.681 -14.664 -1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.857 -12.408 -0.480 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.168 -12.904 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.743 -14.855 -0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 33 15.559 -13.737 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.334 -14.625 2.360 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.373 -15.658 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.172 -16.884 2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 15.393 -16.837 0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.324 -15.836 1.676 1.00 0.00 H new ATOM 508 N ASP A 34 10.823 -14.344 -3.269 1.00 0.00 N ATOM 509 CA ASP A 34 9.887 -15.089 -4.103 1.00 0.00 C ATOM 510 C ASP A 34 8.826 -15.776 -3.248 1.00 0.00 C ATOM 511 O ASP A 34 7.628 -15.628 -3.491 1.00 0.00 O ATOM 512 CB ASP A 34 10.634 -16.127 -4.942 1.00 0.00 C ATOM 513 CG ASP A 34 11.797 -16.749 -4.194 1.00 0.00 C ATOM 514 OD1 ASP A 34 12.865 -16.107 -4.121 1.00 0.00 O ATOM 515 OD2 ASP A 34 11.638 -17.877 -3.683 1.00 0.00 O ATOM 0 H ASP A 34 11.801 -14.443 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 34 9.390 -14.384 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.941 -16.911 -5.246 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.002 -15.656 -5.853 1.00 0.00 H new ATOM 520 N ASP A 35 9.274 -16.528 -2.249 1.00 0.00 N ATOM 521 CA ASP A 35 8.364 -17.238 -1.359 1.00 0.00 C ATOM 522 C ASP A 35 7.263 -16.310 -0.854 1.00 0.00 C ATOM 523 O ASP A 35 6.082 -16.653 -0.894 1.00 0.00 O ATOM 524 CB ASP A 35 9.131 -17.830 -0.176 1.00 0.00 C ATOM 525 CG ASP A 35 8.493 -19.100 0.352 1.00 0.00 C ATOM 526 OD1 ASP A 35 8.080 -19.943 -0.472 1.00 0.00 O ATOM 527 OD2 ASP A 35 8.407 -19.251 1.588 1.00 0.00 O ATOM 0 H ASP A 35 10.262 -16.662 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 35 7.902 -18.048 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 35 10.156 -18.042 -0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.182 -17.093 0.625 1.00 0.00 H new ATOM 532 N GLU A 36 7.661 -15.134 -0.377 1.00 0.00 N ATOM 533 CA GLU A 36 6.707 -14.157 0.137 1.00 0.00 C ATOM 534 C GLU A 36 5.783 -13.663 -0.972 1.00 0.00 C ATOM 535 O GLU A 36 4.560 -13.671 -0.826 1.00 0.00 O ATOM 536 CB GLU A 36 7.445 -12.974 0.767 1.00 0.00 C ATOM 537 CG GLU A 36 8.208 -13.335 2.030 1.00 0.00 C ATOM 538 CD GLU A 36 7.293 -13.580 3.214 1.00 0.00 C ATOM 539 OE1 GLU A 36 6.308 -12.828 3.367 1.00 0.00 O ATOM 540 OE2 GLU A 36 7.563 -14.521 3.988 1.00 0.00 O ATOM 0 H GLU A 36 8.635 -14.835 -0.336 1.00 0.00 H new ATOM 0 HA GLU A 36 6.101 -14.645 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.142 -12.561 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.725 -12.190 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 36 8.805 -14.228 1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.903 -12.531 2.273 1.00 0.00 H new ATOM 547 N PHE A 37 6.376 -13.232 -2.080 1.00 0.00 N ATOM 548 CA PHE A 37 5.607 -12.732 -3.214 1.00 0.00 C ATOM 549 C PHE A 37 4.462 -13.682 -3.556 1.00 0.00 C ATOM 550 O PHE A 37 3.368 -13.247 -3.911 1.00 0.00 O ATOM 551 CB PHE A 37 6.514 -12.550 -4.432 1.00 0.00 C ATOM 552 CG PHE A 37 7.127 -11.181 -4.524 1.00 0.00 C ATOM 553 CD1 PHE A 37 6.456 -10.148 -5.157 1.00 0.00 C ATOM 554 CD2 PHE A 37 8.374 -10.928 -3.976 1.00 0.00 C ATOM 555 CE1 PHE A 37 7.018 -8.888 -5.243 1.00 0.00 C ATOM 556 CE2 PHE A 37 8.941 -9.671 -4.059 1.00 0.00 C ATOM 557 CZ PHE A 37 8.261 -8.649 -4.692 1.00 0.00 C ATOM 0 H PHE A 37 7.387 -13.219 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 37 5.184 -11.766 -2.937 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.310 -13.294 -4.397 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.937 -12.743 -5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.483 -10.329 -5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 37 8.909 -11.723 -3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 37 6.485 -8.091 -5.741 1.00 0.00 H new ATOM 0 HE2 PHE A 37 9.915 -9.488 -3.629 1.00 0.00 H new ATOM 0 HZ PHE A 37 8.701 -7.665 -4.756 1.00 0.00 H new ATOM 567 N GLU A 38 4.726 -14.980 -3.446 1.00 0.00 N ATOM 568 CA GLU A 38 3.718 -15.991 -3.745 1.00 0.00 C ATOM 569 C GLU A 38 2.477 -15.795 -2.879 1.00 0.00 C ATOM 570 O GLU A 38 1.351 -15.964 -3.345 1.00 0.00 O ATOM 571 CB GLU A 38 4.290 -17.393 -3.525 1.00 0.00 C ATOM 572 CG GLU A 38 5.122 -17.901 -4.691 1.00 0.00 C ATOM 573 CD GLU A 38 4.280 -18.234 -5.907 1.00 0.00 C ATOM 574 OE1 GLU A 38 3.546 -19.243 -5.862 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.355 -17.486 -6.904 1.00 0.00 O ATOM 0 H GLU A 38 5.628 -15.356 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 38 3.431 -15.883 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.905 -17.388 -2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.469 -18.087 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.861 -17.147 -4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.672 -18.789 -4.380 1.00 0.00 H new ATOM 582 N GLN A 39 2.693 -15.438 -1.617 1.00 0.00 N ATOM 583 CA GLN A 39 1.593 -15.220 -0.686 1.00 0.00 C ATOM 584 C GLN A 39 0.605 -14.200 -1.240 1.00 0.00 C ATOM 585 O GLN A 39 -0.610 -14.379 -1.143 1.00 0.00 O ATOM 586 CB GLN A 39 2.127 -14.748 0.667 1.00 0.00 C ATOM 587 CG GLN A 39 3.040 -15.756 1.346 1.00 0.00 C ATOM 588 CD GLN A 39 2.276 -16.900 1.982 1.00 0.00 C ATOM 589 OE1 GLN A 39 1.068 -17.041 1.783 1.00 0.00 O ATOM 590 NE2 GLN A 39 2.976 -17.726 2.750 1.00 0.00 N ATOM 0 H GLN A 39 3.620 -15.294 -1.216 1.00 0.00 H new ATOM 0 HA GLN A 39 1.072 -16.168 -0.552 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.671 -13.814 0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.285 -14.532 1.325 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.742 -16.156 0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.630 -15.249 2.110 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.975 -17.571 2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.515 -18.515 3.203 1.00 0.00 H new ATOM 599 N LEU A 40 1.132 -13.128 -1.821 1.00 0.00 N ATOM 600 CA LEU A 40 0.297 -12.077 -2.391 1.00 0.00 C ATOM 601 C LEU A 40 -0.341 -12.537 -3.698 1.00 0.00 C ATOM 602 O LEU A 40 -1.516 -12.275 -3.953 1.00 0.00 O ATOM 603 CB LEU A 40 1.125 -10.813 -2.631 1.00 0.00 C ATOM 604 CG LEU A 40 1.706 -10.145 -1.385 1.00 0.00 C ATOM 605 CD1 LEU A 40 3.011 -9.439 -1.717 1.00 0.00 C ATOM 606 CD2 LEU A 40 0.705 -9.166 -0.789 1.00 0.00 C ATOM 0 H LEU A 40 2.135 -12.964 -1.910 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.498 -11.853 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.947 -11.063 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.500 -10.087 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 40 1.913 -10.918 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.410 -8.969 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.731 -10.164 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.830 -8.677 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.136 -8.700 0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.466 -8.397 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.205 -9.699 -0.513 1.00 0.00 H new ATOM 618 N SER A 41 0.442 -13.226 -4.522 1.00 0.00 N ATOM 619 CA SER A 41 -0.045 -13.722 -5.803 1.00 0.00 C ATOM 620 C SER A 41 -1.167 -14.736 -5.603 1.00 0.00 C ATOM 621 O SER A 41 -2.107 -14.803 -6.394 1.00 0.00 O ATOM 622 CB SER A 41 1.098 -14.359 -6.596 1.00 0.00 C ATOM 623 OG SER A 41 0.610 -15.338 -7.497 1.00 0.00 O ATOM 0 H SER A 41 1.417 -13.453 -4.325 1.00 0.00 H new ATOM 0 HA SER A 41 -0.440 -12.876 -6.365 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.636 -13.588 -7.148 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.811 -14.815 -5.909 1.00 0.00 H new ATOM 0 HG SER A 41 0.101 -14.901 -8.211 1.00 0.00 H new ATOM 629 N ASN A 42 -1.061 -15.523 -4.537 1.00 0.00 N ATOM 630 CA ASN A 42 -2.066 -16.535 -4.231 1.00 0.00 C ATOM 631 C ASN A 42 -3.336 -15.892 -3.682 1.00 0.00 C ATOM 632 O ASN A 42 -4.444 -16.364 -3.938 1.00 0.00 O ATOM 633 CB ASN A 42 -1.514 -17.543 -3.221 1.00 0.00 C ATOM 634 CG ASN A 42 -0.697 -18.636 -3.882 1.00 0.00 C ATOM 635 OD1 ASN A 42 -1.247 -19.575 -4.458 1.00 0.00 O ATOM 636 ND2 ASN A 42 0.623 -18.519 -3.802 1.00 0.00 N ATOM 0 H ASN A 42 -0.290 -15.479 -3.871 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.314 -17.056 -5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.894 -17.021 -2.492 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -2.341 -17.993 -2.672 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.224 -19.224 -4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.036 -17.724 -3.315 1.00 0.00 H new ATOM 643 N LEU A 43 -3.167 -14.812 -2.928 1.00 0.00 N ATOM 644 CA LEU A 43 -4.299 -14.103 -2.343 1.00 0.00 C ATOM 645 C LEU A 43 -5.042 -13.294 -3.402 1.00 0.00 C ATOM 646 O LEU A 43 -6.236 -13.495 -3.627 1.00 0.00 O ATOM 647 CB LEU A 43 -3.823 -13.179 -1.220 1.00 0.00 C ATOM 648 CG LEU A 43 -4.806 -12.092 -0.783 1.00 0.00 C ATOM 649 CD1 LEU A 43 -6.085 -12.714 -0.246 1.00 0.00 C ATOM 650 CD2 LEU A 43 -4.170 -11.187 0.262 1.00 0.00 C ATOM 0 H LEU A 43 -2.257 -14.408 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.985 -14.843 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.580 -13.791 -0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.899 -12.698 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.059 -11.486 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.772 -11.925 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.550 -13.319 -1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.851 -13.344 0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.884 -10.419 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.887 -11.779 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.283 -10.713 -0.158 1.00 0.00 H new ATOM 662 N LEU A 44 -4.327 -12.382 -4.051 1.00 0.00 N ATOM 663 CA LEU A 44 -4.917 -11.545 -5.090 1.00 0.00 C ATOM 664 C LEU A 44 -5.051 -12.315 -6.400 1.00 0.00 C ATOM 665 O LEU A 44 -5.634 -11.821 -7.364 1.00 0.00 O ATOM 666 CB LEU A 44 -4.066 -10.292 -5.306 1.00 0.00 C ATOM 667 CG LEU A 44 -3.736 -9.480 -4.053 1.00 0.00 C ATOM 668 CD1 LEU A 44 -2.625 -8.483 -4.341 1.00 0.00 C ATOM 669 CD2 LEU A 44 -4.977 -8.765 -3.539 1.00 0.00 C ATOM 0 H LEU A 44 -3.338 -12.203 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.913 -11.249 -4.762 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.130 -10.590 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.585 -9.641 -6.010 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.390 -10.165 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.404 -7.914 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.731 -9.017 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.943 -7.802 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.724 -8.192 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.353 -8.091 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.744 -9.499 -3.293 1.00 0.00 H new ATOM 681 N ASN A 45 -4.508 -13.528 -6.425 1.00 0.00 N ATOM 682 CA ASN A 45 -4.569 -14.367 -7.616 1.00 0.00 C ATOM 683 C ASN A 45 -3.877 -13.689 -8.795 1.00 0.00 C ATOM 684 O ASN A 45 -4.303 -13.828 -9.943 1.00 0.00 O ATOM 685 CB ASN A 45 -6.024 -14.677 -7.974 1.00 0.00 C ATOM 686 CG ASN A 45 -6.527 -15.940 -7.302 1.00 0.00 C ATOM 687 OD1 ASN A 45 -7.495 -15.909 -6.542 1.00 0.00 O ATOM 688 ND2 ASN A 45 -5.871 -17.060 -7.580 1.00 0.00 N ATOM 0 H ASN A 45 -4.021 -13.951 -5.635 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.049 -15.300 -7.399 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.654 -13.837 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.115 -14.783 -9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.164 -17.941 -7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.074 -17.040 -8.216 1.00 0.00 H new ATOM 695 N LEU A 46 -2.809 -12.955 -8.505 1.00 0.00 N ATOM 696 CA LEU A 46 -2.057 -12.256 -9.541 1.00 0.00 C ATOM 697 C LEU A 46 -0.639 -12.807 -9.651 1.00 0.00 C ATOM 698 O LEU A 46 -0.061 -13.299 -8.682 1.00 0.00 O ATOM 699 CB LEU A 46 -2.011 -10.756 -9.241 1.00 0.00 C ATOM 700 CG LEU A 46 -3.362 -10.044 -9.174 1.00 0.00 C ATOM 701 CD1 LEU A 46 -3.194 -8.628 -8.645 1.00 0.00 C ATOM 702 CD2 LEU A 46 -4.026 -10.029 -10.543 1.00 0.00 C ATOM 0 H LEU A 46 -2.444 -12.828 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.564 -12.415 -10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.499 -10.612 -8.290 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.405 -10.271 -10.006 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.006 -10.592 -8.486 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.166 -8.137 -8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.763 -8.662 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.532 -8.069 -9.306 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.987 -9.518 -10.476 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.385 -9.505 -11.252 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.183 -11.053 -10.883 1.00 0.00 H new ATOM 714 N PRO A 47 -0.063 -12.722 -10.859 1.00 0.00 N ATOM 715 CA PRO A 47 1.296 -13.204 -11.124 1.00 0.00 C ATOM 716 C PRO A 47 2.359 -12.345 -10.448 1.00 0.00 C ATOM 717 O PRO A 47 2.318 -11.116 -10.521 1.00 0.00 O ATOM 718 CB PRO A 47 1.417 -13.105 -12.647 1.00 0.00 C ATOM 719 CG PRO A 47 0.447 -12.044 -13.035 1.00 0.00 C ATOM 720 CD PRO A 47 -0.693 -12.147 -12.059 1.00 0.00 C ATOM 0 HA PRO A 47 1.454 -14.210 -10.734 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.432 -12.843 -12.947 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.178 -14.055 -13.126 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.910 -11.058 -12.992 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.099 -12.189 -14.058 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.135 -11.172 -11.853 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.491 -12.785 -12.439 1.00 0.00 H new ATOM 728 N THR A 48 3.311 -12.998 -9.790 1.00 0.00 N ATOM 729 CA THR A 48 4.385 -12.294 -9.100 1.00 0.00 C ATOM 730 C THR A 48 4.963 -11.185 -9.971 1.00 0.00 C ATOM 731 O THR A 48 5.224 -10.080 -9.494 1.00 0.00 O ATOM 732 CB THR A 48 5.518 -13.256 -8.695 1.00 0.00 C ATOM 733 OG1 THR A 48 5.783 -14.176 -9.759 1.00 0.00 O ATOM 734 CG2 THR A 48 5.151 -14.022 -7.433 1.00 0.00 C ATOM 0 H THR A 48 3.360 -14.014 -9.720 1.00 0.00 H new ATOM 0 HA THR A 48 3.950 -11.857 -8.201 1.00 0.00 H new ATOM 0 HB THR A 48 6.413 -12.666 -8.495 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.506 -14.783 -9.494 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.966 -14.695 -7.166 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.979 -13.319 -6.618 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.245 -14.601 -7.610 1.00 0.00 H new ATOM 742 N ARG A 49 5.160 -11.485 -11.251 1.00 0.00 N ATOM 743 CA ARG A 49 5.708 -10.512 -12.189 1.00 0.00 C ATOM 744 C ARG A 49 4.957 -9.187 -12.098 1.00 0.00 C ATOM 745 O ARG A 49 5.543 -8.117 -12.261 1.00 0.00 O ATOM 746 CB ARG A 49 5.638 -11.054 -13.617 1.00 0.00 C ATOM 747 CG ARG A 49 4.295 -10.822 -14.292 1.00 0.00 C ATOM 748 CD ARG A 49 4.266 -9.494 -15.031 1.00 0.00 C ATOM 749 NE ARG A 49 4.979 -9.560 -16.304 1.00 0.00 N ATOM 750 CZ ARG A 49 4.517 -10.199 -17.373 1.00 0.00 C ATOM 751 NH1 ARG A 49 3.348 -10.822 -17.323 1.00 0.00 N ATOM 752 NH2 ARG A 49 5.224 -10.214 -18.495 1.00 0.00 N ATOM 0 H ARG A 49 4.948 -12.394 -11.662 1.00 0.00 H new ATOM 0 HA ARG A 49 6.751 -10.337 -11.925 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.421 -10.585 -14.213 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.847 -12.124 -13.601 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.093 -11.633 -14.991 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.502 -10.841 -13.544 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.231 -9.201 -15.210 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.712 -8.721 -14.405 1.00 0.00 H new ATOM 0 HE ARG A 49 5.881 -9.090 -16.376 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.801 -10.811 -16.462 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.996 -11.312 -18.145 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.123 -9.735 -18.538 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.868 -10.705 -19.315 1.00 0.00 H new ATOM 766 N VAL A 50 3.656 -9.267 -11.838 1.00 0.00 N ATOM 767 CA VAL A 50 2.824 -8.075 -11.725 1.00 0.00 C ATOM 768 C VAL A 50 3.024 -7.390 -10.377 1.00 0.00 C ATOM 769 O VAL A 50 3.035 -6.162 -10.289 1.00 0.00 O ATOM 770 CB VAL A 50 1.332 -8.412 -11.900 1.00 0.00 C ATOM 771 CG1 VAL A 50 0.463 -7.279 -11.377 1.00 0.00 C ATOM 772 CG2 VAL A 50 1.020 -8.704 -13.360 1.00 0.00 C ATOM 0 H VAL A 50 3.155 -10.145 -11.702 1.00 0.00 H new ATOM 0 HA VAL A 50 3.132 -7.399 -12.523 1.00 0.00 H new ATOM 0 HB VAL A 50 1.109 -9.306 -11.318 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.588 -7.536 -11.509 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.668 -7.123 -10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.686 -6.365 -11.928 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.039 -8.940 -13.466 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.259 -7.829 -13.965 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.616 -9.552 -13.697 1.00 0.00 H new ATOM 782 N ILE A 51 3.183 -8.193 -9.331 1.00 0.00 N ATOM 783 CA ILE A 51 3.385 -7.665 -7.987 1.00 0.00 C ATOM 784 C ILE A 51 4.790 -7.094 -7.826 1.00 0.00 C ATOM 785 O ILE A 51 5.018 -6.199 -7.012 1.00 0.00 O ATOM 786 CB ILE A 51 3.157 -8.748 -6.916 1.00 0.00 C ATOM 787 CG1 ILE A 51 1.869 -9.521 -7.207 1.00 0.00 C ATOM 788 CG2 ILE A 51 3.104 -8.120 -5.531 1.00 0.00 C ATOM 789 CD1 ILE A 51 1.620 -10.662 -6.246 1.00 0.00 C ATOM 0 H ILE A 51 3.176 -9.211 -9.388 1.00 0.00 H new ATOM 0 HA ILE A 51 2.654 -6.869 -7.848 1.00 0.00 H new ATOM 0 HB ILE A 51 3.992 -9.448 -6.944 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.025 -8.833 -7.168 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.912 -9.915 -8.223 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.942 -8.898 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.046 -7.611 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.286 -7.401 -5.489 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.690 -11.165 -6.512 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.446 -11.371 -6.302 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.544 -10.273 -5.231 1.00 0.00 H new ATOM 801 N VAL A 52 5.728 -7.616 -8.609 1.00 0.00 N ATOM 802 CA VAL A 52 7.111 -7.156 -8.556 1.00 0.00 C ATOM 803 C VAL A 52 7.250 -5.762 -9.156 1.00 0.00 C ATOM 804 O VAL A 52 7.772 -4.848 -8.516 1.00 0.00 O ATOM 805 CB VAL A 52 8.052 -8.120 -9.303 1.00 0.00 C ATOM 806 CG1 VAL A 52 9.475 -7.582 -9.307 1.00 0.00 C ATOM 807 CG2 VAL A 52 7.999 -9.507 -8.678 1.00 0.00 C ATOM 0 H VAL A 52 5.556 -8.358 -9.288 1.00 0.00 H new ATOM 0 HA VAL A 52 7.394 -7.126 -7.504 1.00 0.00 H new ATOM 0 HB VAL A 52 7.717 -8.199 -10.337 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.125 -8.277 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.496 -6.612 -9.804 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.825 -7.471 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.670 -10.175 -9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.308 -9.448 -7.634 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.981 -9.892 -8.733 1.00 0.00 H new ATOM 817 N VAL A 53 6.779 -5.604 -10.389 1.00 0.00 N ATOM 818 CA VAL A 53 6.849 -4.319 -11.075 1.00 0.00 C ATOM 819 C VAL A 53 6.216 -3.214 -10.238 1.00 0.00 C ATOM 820 O VAL A 53 6.719 -2.091 -10.192 1.00 0.00 O ATOM 821 CB VAL A 53 6.148 -4.376 -12.445 1.00 0.00 C ATOM 822 CG1 VAL A 53 6.216 -3.023 -13.137 1.00 0.00 C ATOM 823 CG2 VAL A 53 6.766 -5.461 -13.315 1.00 0.00 C ATOM 0 H VAL A 53 6.345 -6.350 -10.933 1.00 0.00 H new ATOM 0 HA VAL A 53 7.906 -4.097 -11.225 1.00 0.00 H new ATOM 0 HB VAL A 53 5.098 -4.623 -12.286 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.715 -3.083 -14.103 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.723 -2.273 -12.519 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.259 -2.742 -13.285 1.00 0.00 H new ATOM 0 HG21 VAL A 53 6.258 -5.487 -14.279 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.824 -5.247 -13.467 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.659 -6.427 -12.822 1.00 0.00 H new ATOM 833 N TRP A 54 5.111 -3.539 -9.578 1.00 0.00 N ATOM 834 CA TRP A 54 4.408 -2.573 -8.741 1.00 0.00 C ATOM 835 C TRP A 54 5.231 -2.223 -7.505 1.00 0.00 C ATOM 836 O TRP A 54 5.394 -1.051 -7.167 1.00 0.00 O ATOM 837 CB TRP A 54 3.045 -3.126 -8.322 1.00 0.00 C ATOM 838 CG TRP A 54 2.224 -2.149 -7.536 1.00 0.00 C ATOM 839 CD1 TRP A 54 1.174 -1.406 -7.993 1.00 0.00 C ATOM 840 CD2 TRP A 54 2.387 -1.808 -6.155 1.00 0.00 C ATOM 841 NE1 TRP A 54 0.674 -0.624 -6.980 1.00 0.00 N ATOM 842 CE2 TRP A 54 1.401 -0.853 -5.842 1.00 0.00 C ATOM 843 CE3 TRP A 54 3.269 -2.219 -5.151 1.00 0.00 C ATOM 844 CZ2 TRP A 54 1.275 -0.303 -4.569 1.00 0.00 C ATOM 845 CZ3 TRP A 54 3.143 -1.671 -3.889 1.00 0.00 C ATOM 846 CH2 TRP A 54 2.152 -0.723 -3.606 1.00 0.00 C ATOM 0 H TRP A 54 4.682 -4.464 -9.606 1.00 0.00 H new ATOM 0 HA TRP A 54 4.259 -1.665 -9.325 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.491 -3.421 -9.213 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.194 -4.027 -7.726 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.792 -1.429 -9.003 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.111 0.022 -7.062 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.035 -2.952 -5.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.512 0.429 -4.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.821 -1.979 -3.107 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.078 -0.315 -2.609 1.00 0.00 H new ATOM 857 N PHE A 55 5.747 -3.248 -6.834 1.00 0.00 N ATOM 858 CA PHE A 55 6.552 -3.048 -5.635 1.00 0.00 C ATOM 859 C PHE A 55 7.824 -2.268 -5.957 1.00 0.00 C ATOM 860 O PHE A 55 8.237 -1.395 -5.195 1.00 0.00 O ATOM 861 CB PHE A 55 6.913 -4.396 -5.007 1.00 0.00 C ATOM 862 CG PHE A 55 5.915 -4.869 -3.988 1.00 0.00 C ATOM 863 CD1 PHE A 55 4.596 -5.098 -4.345 1.00 0.00 C ATOM 864 CD2 PHE A 55 6.297 -5.084 -2.674 1.00 0.00 C ATOM 865 CE1 PHE A 55 3.676 -5.533 -3.411 1.00 0.00 C ATOM 866 CE2 PHE A 55 5.381 -5.520 -1.735 1.00 0.00 C ATOM 867 CZ PHE A 55 4.069 -5.744 -2.104 1.00 0.00 C ATOM 0 H PHE A 55 5.622 -4.225 -7.100 1.00 0.00 H new ATOM 0 HA PHE A 55 5.962 -2.469 -4.924 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.998 -5.144 -5.795 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.893 -4.317 -4.535 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.283 -4.934 -5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.321 -4.909 -2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.651 -5.708 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.691 -5.685 -0.714 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.352 -6.084 -1.372 1.00 0.00 H new ATOM 877 N GLN A 56 8.437 -2.591 -7.091 1.00 0.00 N ATOM 878 CA GLN A 56 9.662 -1.921 -7.513 1.00 0.00 C ATOM 879 C GLN A 56 9.453 -0.414 -7.609 1.00 0.00 C ATOM 880 O GLN A 56 10.185 0.364 -6.999 1.00 0.00 O ATOM 881 CB GLN A 56 10.129 -2.470 -8.862 1.00 0.00 C ATOM 882 CG GLN A 56 10.928 -3.759 -8.751 1.00 0.00 C ATOM 883 CD GLN A 56 11.942 -3.915 -9.867 1.00 0.00 C ATOM 884 OE1 GLN A 56 12.770 -3.033 -10.097 1.00 0.00 O ATOM 885 NE2 GLN A 56 11.883 -5.042 -10.567 1.00 0.00 N ATOM 0 H GLN A 56 8.106 -3.311 -7.733 1.00 0.00 H new ATOM 0 HA GLN A 56 10.429 -2.116 -6.764 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.259 -2.645 -9.494 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.739 -1.716 -9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.444 -3.781 -7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.245 -4.608 -8.765 1.00 0.00 H new ATOM 0 HE21 GLN A 56 11.180 -5.746 -10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.541 -5.204 -11.330 1.00 0.00 H new ATOM 894 N ASN A 57 8.449 -0.008 -8.380 1.00 0.00 N ATOM 895 CA ASN A 57 8.144 1.407 -8.557 1.00 0.00 C ATOM 896 C ASN A 57 7.761 2.051 -7.228 1.00 0.00 C ATOM 897 O ASN A 57 8.307 3.086 -6.848 1.00 0.00 O ATOM 898 CB ASN A 57 7.009 1.583 -9.568 1.00 0.00 C ATOM 899 CG ASN A 57 7.482 1.430 -11.001 1.00 0.00 C ATOM 900 OD1 ASN A 57 8.034 2.362 -11.587 1.00 0.00 O ATOM 901 ND2 ASN A 57 7.268 0.250 -11.572 1.00 0.00 N ATOM 0 H ASN A 57 7.833 -0.639 -8.892 1.00 0.00 H new ATOM 0 HA ASN A 57 9.039 1.901 -8.936 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.229 0.849 -9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.561 2.568 -9.439 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.565 0.088 -12.534 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.807 -0.494 -11.048 1.00 0.00 H new ATOM 908 N ALA A 58 6.818 1.431 -6.526 1.00 0.00 N ATOM 909 CA ALA A 58 6.363 1.941 -5.239 1.00 0.00 C ATOM 910 C ALA A 58 7.542 2.365 -4.369 1.00 0.00 C ATOM 911 O ALA A 58 7.417 3.258 -3.531 1.00 0.00 O ATOM 912 CB ALA A 58 5.525 0.894 -4.522 1.00 0.00 C ATOM 0 H ALA A 58 6.354 0.574 -6.828 1.00 0.00 H new ATOM 0 HA ALA A 58 5.745 2.820 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.192 1.289 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.657 0.643 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.124 -0.001 -4.358 1.00 0.00 H new ATOM 918 N ARG A 59 8.685 1.719 -4.574 1.00 0.00 N ATOM 919 CA ARG A 59 9.885 2.028 -3.807 1.00 0.00 C ATOM 920 C ARG A 59 10.513 3.335 -4.282 1.00 0.00 C ATOM 921 O ARG A 59 10.924 4.167 -3.473 1.00 0.00 O ATOM 922 CB ARG A 59 10.900 0.889 -3.927 1.00 0.00 C ATOM 923 CG ARG A 59 10.502 -0.364 -3.165 1.00 0.00 C ATOM 924 CD ARG A 59 11.722 -1.154 -2.716 1.00 0.00 C ATOM 925 NE ARG A 59 12.586 -1.510 -3.837 1.00 0.00 N ATOM 926 CZ ARG A 59 12.267 -2.419 -4.752 1.00 0.00 C ATOM 927 NH1 ARG A 59 11.108 -3.059 -4.679 1.00 0.00 N ATOM 928 NH2 ARG A 59 13.107 -2.688 -5.743 1.00 0.00 N ATOM 0 H ARG A 59 8.805 0.978 -5.265 1.00 0.00 H new ATOM 0 HA ARG A 59 9.598 2.142 -2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.029 0.638 -4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.867 1.235 -3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 59 9.905 -0.088 -2.295 1.00 0.00 H new ATOM 0 HG3 ARG A 59 9.873 -0.991 -3.797 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.289 -0.566 -1.994 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.399 -2.061 -2.205 1.00 0.00 H new ATOM 0 HE ARG A 59 13.484 -1.035 -3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.459 -2.854 -3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.865 -3.756 -5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.999 -2.197 -5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.861 -3.386 -6.445 1.00 0.00 H new ATOM 942 N GLN A 60 10.583 3.508 -5.598 1.00 0.00 N ATOM 943 CA GLN A 60 11.161 4.713 -6.180 1.00 0.00 C ATOM 944 C GLN A 60 10.207 5.895 -6.044 1.00 0.00 C ATOM 945 O GLN A 60 10.633 7.050 -6.009 1.00 0.00 O ATOM 946 CB GLN A 60 11.499 4.482 -7.654 1.00 0.00 C ATOM 947 CG GLN A 60 10.299 4.602 -8.579 1.00 0.00 C ATOM 948 CD GLN A 60 10.695 4.695 -10.040 1.00 0.00 C ATOM 949 OE1 GLN A 60 11.783 4.267 -10.428 1.00 0.00 O ATOM 950 NE2 GLN A 60 9.813 5.255 -10.858 1.00 0.00 N ATOM 0 H GLN A 60 10.247 2.829 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 60 12.077 4.945 -5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.258 5.202 -7.961 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.936 3.490 -7.767 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.648 3.739 -8.437 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.722 5.485 -8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.924 5.596 -10.493 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.024 5.345 -11.852 1.00 0.00 H new ATOM 959 N LYS A 61 8.914 5.600 -5.969 1.00 0.00 N ATOM 960 CA LYS A 61 7.898 6.637 -5.836 1.00 0.00 C ATOM 961 C LYS A 61 7.818 7.139 -4.398 1.00 0.00 C ATOM 962 O LYS A 61 7.550 8.315 -4.155 1.00 0.00 O ATOM 963 CB LYS A 61 6.534 6.103 -6.278 1.00 0.00 C ATOM 964 CG LYS A 61 6.463 5.765 -7.757 1.00 0.00 C ATOM 965 CD LYS A 61 5.218 4.957 -8.085 1.00 0.00 C ATOM 966 CE LYS A 61 3.982 5.841 -8.152 1.00 0.00 C ATOM 967 NZ LYS A 61 3.879 6.554 -9.455 1.00 0.00 N ATOM 0 H LYS A 61 8.544 4.650 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 61 8.180 7.471 -6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.297 5.211 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.770 6.845 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.466 6.685 -8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.350 5.201 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.354 4.447 -9.039 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.074 4.185 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.091 5.231 -8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.012 6.569 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.024 7.146 -9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.717 7.155 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.825 5.860 -10.227 1.00 0.00 H new ATOM 981 N ALA A 62 8.054 6.240 -3.448 1.00 0.00 N ATOM 982 CA ALA A 62 8.011 6.593 -2.034 1.00 0.00 C ATOM 983 C ALA A 62 9.169 7.513 -1.664 1.00 0.00 C ATOM 984 O ALA A 62 9.002 8.455 -0.889 1.00 0.00 O ATOM 985 CB ALA A 62 8.036 5.337 -1.176 1.00 0.00 C ATOM 0 H ALA A 62 8.277 5.262 -3.632 1.00 0.00 H new ATOM 0 HA ALA A 62 7.081 7.129 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.003 5.615 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.172 4.716 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.950 4.778 -1.376 1.00 0.00 H new ATOM 991 N ARG A 63 10.343 7.233 -2.221 1.00 0.00 N ATOM 992 CA ARG A 63 11.529 8.035 -1.946 1.00 0.00 C ATOM 993 C ARG A 63 11.438 9.394 -2.635 1.00 0.00 C ATOM 994 O ARG A 63 11.825 10.416 -2.068 1.00 0.00 O ATOM 995 CB ARG A 63 12.787 7.299 -2.412 1.00 0.00 C ATOM 996 CG ARG A 63 12.867 7.123 -3.920 1.00 0.00 C ATOM 997 CD ARG A 63 14.215 6.562 -4.345 1.00 0.00 C ATOM 998 NE ARG A 63 14.255 6.255 -5.772 1.00 0.00 N ATOM 999 CZ ARG A 63 14.516 7.157 -6.711 1.00 0.00 C ATOM 1000 NH1 ARG A 63 14.760 8.416 -6.375 1.00 0.00 N ATOM 1001 NH2 ARG A 63 14.534 6.800 -7.989 1.00 0.00 N ATOM 0 H ARG A 63 10.498 6.457 -2.865 1.00 0.00 H new ATOM 0 HA ARG A 63 11.587 8.195 -0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 63 13.665 7.847 -2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.820 6.318 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.073 6.455 -4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.701 8.083 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.998 7.282 -4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.428 5.658 -3.774 1.00 0.00 H new ATOM 0 HE ARG A 63 14.072 5.295 -6.064 1.00 0.00 H new ATOM 0 HH11 ARG A 63 14.748 8.694 -5.394 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.960 9.107 -7.098 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.347 5.832 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 63 14.735 7.494 -8.709 1.00 0.00 H new ATOM 1015 N LYS A 64 10.924 9.398 -3.860 1.00 0.00 N ATOM 1016 CA LYS A 64 10.781 10.630 -4.626 1.00 0.00 C ATOM 1017 C LYS A 64 10.234 11.754 -3.752 1.00 0.00 C ATOM 1018 O LYS A 64 10.845 12.816 -3.637 1.00 0.00 O ATOM 1019 CB LYS A 64 9.855 10.405 -5.824 1.00 0.00 C ATOM 1020 CG LYS A 64 9.647 11.646 -6.674 1.00 0.00 C ATOM 1021 CD LYS A 64 9.173 11.291 -8.073 1.00 0.00 C ATOM 1022 CE LYS A 64 9.164 12.509 -8.984 1.00 0.00 C ATOM 1023 NZ LYS A 64 10.498 12.752 -9.599 1.00 0.00 N ATOM 0 H LYS A 64 10.599 8.561 -4.344 1.00 0.00 H new ATOM 0 HA LYS A 64 11.768 10.921 -4.986 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.268 9.613 -6.448 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.887 10.055 -5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.916 12.297 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.580 12.206 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.823 10.524 -8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.171 10.866 -8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.422 12.369 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.862 13.387 -8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.450 13.590 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.202 12.911 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.775 11.925 -10.165 1.00 0.00 H new ATOM 1037 N SER A 65 9.081 11.512 -3.137 1.00 0.00 N ATOM 1038 CA SER A 65 8.451 12.505 -2.275 1.00 0.00 C ATOM 1039 C SER A 65 9.427 12.998 -1.211 1.00 0.00 C ATOM 1040 O SER A 65 10.108 12.205 -0.563 1.00 0.00 O ATOM 1041 CB SER A 65 7.206 11.916 -1.608 1.00 0.00 C ATOM 1042 OG SER A 65 6.548 12.885 -0.810 1.00 0.00 O ATOM 0 H SER A 65 8.564 10.637 -3.220 1.00 0.00 H new ATOM 0 HA SER A 65 8.156 13.353 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.522 11.544 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.489 11.063 -0.991 1.00 0.00 H new ATOM 0 HG SER A 65 5.755 12.484 -0.396 1.00 0.00 H new ATOM 1048 N GLY A 66 9.488 14.314 -1.037 1.00 0.00 N ATOM 1049 CA GLY A 66 10.383 14.892 -0.051 1.00 0.00 C ATOM 1050 C GLY A 66 10.247 16.399 0.043 1.00 0.00 C ATOM 1051 O GLY A 66 9.390 16.923 0.753 1.00 0.00 O ATOM 0 H GLY A 66 8.934 14.991 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.178 14.450 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.412 14.638 -0.306 1.00 0.00 H new ATOM 1055 N PRO A 67 11.111 17.121 -0.687 1.00 0.00 N ATOM 1056 CA PRO A 67 11.104 18.587 -0.698 1.00 0.00 C ATOM 1057 C PRO A 67 9.879 19.155 -1.406 1.00 0.00 C ATOM 1058 O PRO A 67 9.902 19.390 -2.614 1.00 0.00 O ATOM 1059 CB PRO A 67 12.379 18.941 -1.468 1.00 0.00 C ATOM 1060 CG PRO A 67 12.641 17.756 -2.333 1.00 0.00 C ATOM 1061 CD PRO A 67 12.159 16.562 -1.556 1.00 0.00 C ATOM 0 HA PRO A 67 11.068 19.003 0.309 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.244 19.844 -2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.212 19.128 -0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.114 17.842 -3.283 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.703 17.669 -2.564 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.765 15.787 -2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.963 16.109 -0.976 1.00 0.00 H new ATOM 1069 N SER A 68 8.811 19.375 -0.646 1.00 0.00 N ATOM 1070 CA SER A 68 7.575 19.913 -1.201 1.00 0.00 C ATOM 1071 C SER A 68 7.445 21.403 -0.895 1.00 0.00 C ATOM 1072 O SER A 68 6.888 22.164 -1.686 1.00 0.00 O ATOM 1073 CB SER A 68 6.368 19.159 -0.641 1.00 0.00 C ATOM 1074 OG SER A 68 6.352 19.202 0.775 1.00 0.00 O ATOM 0 H SER A 68 8.777 19.189 0.356 1.00 0.00 H new ATOM 0 HA SER A 68 7.605 19.783 -2.283 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.449 19.596 -1.032 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.395 18.122 -0.976 1.00 0.00 H new ATOM 0 HG SER A 68 5.570 18.714 1.108 1.00 0.00 H new ATOM 1080 N SER A 69 7.964 21.810 0.259 1.00 0.00 N ATOM 1081 CA SER A 69 7.903 23.207 0.673 1.00 0.00 C ATOM 1082 C SER A 69 8.917 23.491 1.777 1.00 0.00 C ATOM 1083 O SER A 69 8.816 22.955 2.880 1.00 0.00 O ATOM 1084 CB SER A 69 6.495 23.557 1.155 1.00 0.00 C ATOM 1085 OG SER A 69 6.260 23.048 2.457 1.00 0.00 O ATOM 0 H SER A 69 8.431 21.193 0.923 1.00 0.00 H new ATOM 0 HA SER A 69 8.148 23.827 -0.189 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.366 24.639 1.156 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.758 23.149 0.463 1.00 0.00 H new ATOM 0 HG SER A 69 7.104 22.732 2.842 1.00 0.00 H new ATOM 1091 N GLY A 70 9.895 24.339 1.471 1.00 0.00 N ATOM 1092 CA GLY A 70 10.913 24.680 2.447 1.00 0.00 C ATOM 1093 C GLY A 70 10.330 24.977 3.814 1.00 0.00 C ATOM 1094 O GLY A 70 9.385 25.756 3.937 1.00 0.00 O ATOM 0 H GLY A 70 10.000 24.795 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.623 23.857 2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.471 25.549 2.097 1.00 0.00 H new TER 1098 GLY A 70