USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 744 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 14 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0695 (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 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 26:sc= 0.0933 USER MOD Single : A 12 HIS : no HD1:sc= -1.78 X(o=-1.8,f=-2) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.1) USER MOD Single : A 54 CYS SG : rot 99:sc= -0.905 USER MOD Single : A 65 HIS : no HD1:sc= -3.2 K(o=-3.2,f=-6.4!) USER MOD Single : A 67 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.16) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -38:sc= 0.798 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0261 USER MOD Single : A 76 HIS : no HD1:sc= -0.691 X(o=-0.69,f=-0.19) USER MOD Single : A 78 GLN : amide:sc= -0.0218 K(o=-0.022,f=-1.5) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 21:sc= 0.0331 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.652 -17.499 -9.756 1.00 0.00 N ATOM 2 CA GLY A 1 -18.905 -16.393 -10.661 1.00 0.00 C ATOM 3 C GLY A 1 -19.132 -15.085 -9.928 1.00 0.00 C ATOM 4 O GLY A 1 -19.292 -15.069 -8.707 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.662 -17.805 -9.850 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.829 -17.194 -8.778 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.283 -18.291 -9.991 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.060 -16.283 -11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.779 -16.620 -11.272 1.00 0.00 H new ATOM 8 N SER A 2 -19.146 -13.985 -10.674 1.00 0.00 N ATOM 9 CA SER A 2 -19.350 -12.666 -10.087 1.00 0.00 C ATOM 10 C SER A 2 -20.044 -11.733 -11.075 1.00 0.00 C ATOM 11 O SER A 2 -19.653 -11.642 -12.239 1.00 0.00 O ATOM 12 CB SER A 2 -18.012 -12.065 -9.653 1.00 0.00 C ATOM 13 OG SER A 2 -17.088 -12.049 -10.728 1.00 0.00 O ATOM 0 H SER A 2 -19.019 -13.981 -11.686 1.00 0.00 H new ATOM 0 HA SER A 2 -19.989 -12.780 -9.212 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.167 -11.050 -9.287 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.602 -12.643 -8.825 1.00 0.00 H new ATOM 0 HG SER A 2 -16.241 -11.659 -10.426 1.00 0.00 H new ATOM 19 N SER A 3 -21.075 -11.041 -10.602 1.00 0.00 N ATOM 20 CA SER A 3 -21.827 -10.118 -11.443 1.00 0.00 C ATOM 21 C SER A 3 -21.574 -8.672 -11.024 1.00 0.00 C ATOM 22 O SER A 3 -21.377 -8.381 -9.845 1.00 0.00 O ATOM 23 CB SER A 3 -23.323 -10.428 -11.367 1.00 0.00 C ATOM 24 OG SER A 3 -23.857 -10.060 -10.108 1.00 0.00 O ATOM 0 H SER A 3 -21.409 -11.102 -9.640 1.00 0.00 H new ATOM 0 HA SER A 3 -21.489 -10.245 -12.471 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.849 -9.894 -12.159 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.486 -11.492 -11.538 1.00 0.00 H new ATOM 0 HG SER A 3 -24.815 -10.267 -10.086 1.00 0.00 H new ATOM 30 N GLY A 4 -21.581 -7.770 -12.001 1.00 0.00 N ATOM 31 CA GLY A 4 -21.351 -6.366 -11.715 1.00 0.00 C ATOM 32 C GLY A 4 -19.977 -5.902 -12.157 1.00 0.00 C ATOM 33 O GLY A 4 -19.526 -6.232 -13.253 1.00 0.00 O ATOM 0 H GLY A 4 -21.742 -7.986 -12.985 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.112 -5.767 -12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.463 -6.193 -10.645 1.00 0.00 H new ATOM 37 N SER A 5 -19.311 -5.132 -11.302 1.00 0.00 N ATOM 38 CA SER A 5 -17.982 -4.617 -11.613 1.00 0.00 C ATOM 39 C SER A 5 -16.980 -5.757 -11.768 1.00 0.00 C ATOM 40 O SER A 5 -16.635 -6.431 -10.798 1.00 0.00 O ATOM 41 CB SER A 5 -17.515 -3.658 -10.516 1.00 0.00 C ATOM 42 OG SER A 5 -16.380 -2.919 -10.934 1.00 0.00 O ATOM 0 H SER A 5 -19.669 -4.851 -10.389 1.00 0.00 H new ATOM 0 HA SER A 5 -18.040 -4.077 -12.558 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.324 -2.974 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.274 -4.221 -9.614 1.00 0.00 H new ATOM 0 HG SER A 5 -16.102 -2.312 -10.216 1.00 0.00 H new ATOM 48 N SER A 6 -16.517 -5.966 -12.997 1.00 0.00 N ATOM 49 CA SER A 6 -15.558 -7.026 -13.282 1.00 0.00 C ATOM 50 C SER A 6 -14.159 -6.632 -12.817 1.00 0.00 C ATOM 51 O SER A 6 -13.530 -5.743 -13.389 1.00 0.00 O ATOM 52 CB SER A 6 -15.541 -7.339 -14.779 1.00 0.00 C ATOM 53 OG SER A 6 -16.616 -8.190 -15.134 1.00 0.00 O ATOM 0 H SER A 6 -16.791 -5.415 -13.811 1.00 0.00 H new ATOM 0 HA SER A 6 -15.866 -7.917 -12.736 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.604 -6.412 -15.348 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.596 -7.812 -15.044 1.00 0.00 H new ATOM 0 HG SER A 6 -16.584 -8.374 -16.096 1.00 0.00 H new ATOM 59 N GLY A 7 -13.677 -7.302 -11.774 1.00 0.00 N ATOM 60 CA GLY A 7 -12.357 -7.009 -11.249 1.00 0.00 C ATOM 61 C GLY A 7 -11.498 -8.251 -11.114 1.00 0.00 C ATOM 62 O GLY A 7 -11.981 -9.305 -10.703 1.00 0.00 O ATOM 0 H GLY A 7 -14.178 -8.043 -11.284 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.858 -6.296 -11.905 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.455 -6.531 -10.274 1.00 0.00 H new ATOM 66 N GLN A 8 -10.221 -8.126 -11.461 1.00 0.00 N ATOM 67 CA GLN A 8 -9.294 -9.248 -11.378 1.00 0.00 C ATOM 68 C GLN A 8 -8.481 -9.188 -10.089 1.00 0.00 C ATOM 69 O GLN A 8 -7.460 -8.505 -10.019 1.00 0.00 O ATOM 70 CB GLN A 8 -8.356 -9.253 -12.587 1.00 0.00 C ATOM 71 CG GLN A 8 -7.480 -8.014 -12.682 1.00 0.00 C ATOM 72 CD GLN A 8 -7.012 -7.738 -14.097 1.00 0.00 C ATOM 73 OE1 GLN A 8 -5.973 -8.238 -14.528 1.00 0.00 O ATOM 74 NE2 GLN A 8 -7.778 -6.938 -14.829 1.00 0.00 N ATOM 0 H GLN A 8 -9.805 -7.259 -11.802 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.877 -10.169 -11.376 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.718 -10.136 -12.538 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.950 -9.339 -13.497 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.035 -7.152 -12.312 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.612 -8.136 -12.034 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.631 -6.545 -14.432 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.513 -6.716 -15.789 1.00 0.00 H new ATOM 83 N ALA A 9 -8.941 -9.908 -9.071 1.00 0.00 N ATOM 84 CA ALA A 9 -8.256 -9.939 -7.785 1.00 0.00 C ATOM 85 C ALA A 9 -7.879 -11.364 -7.397 1.00 0.00 C ATOM 86 O ALA A 9 -8.736 -12.244 -7.322 1.00 0.00 O ATOM 87 CB ALA A 9 -9.127 -9.309 -6.708 1.00 0.00 C ATOM 0 H ALA A 9 -9.786 -10.478 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.336 -9.361 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.603 -9.339 -5.753 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.341 -8.273 -6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.062 -9.863 -6.626 1.00 0.00 H new ATOM 93 N SER A 10 -6.591 -11.585 -7.152 1.00 0.00 N ATOM 94 CA SER A 10 -6.101 -12.906 -6.776 1.00 0.00 C ATOM 95 C SER A 10 -4.920 -12.794 -5.816 1.00 0.00 C ATOM 96 O SER A 10 -3.829 -12.376 -6.202 1.00 0.00 O ATOM 97 CB SER A 10 -5.687 -13.693 -8.021 1.00 0.00 C ATOM 98 OG SER A 10 -6.800 -14.351 -8.602 1.00 0.00 O ATOM 0 H SER A 10 -5.869 -10.867 -7.207 1.00 0.00 H new ATOM 0 HA SER A 10 -6.909 -13.436 -6.271 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.239 -13.018 -8.750 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.925 -14.426 -7.755 1.00 0.00 H new ATOM 0 HG SER A 10 -7.622 -13.871 -8.369 1.00 0.00 H new ATOM 104 N GLY A 11 -5.148 -13.171 -4.562 1.00 0.00 N ATOM 105 CA GLY A 11 -4.095 -13.105 -3.565 1.00 0.00 C ATOM 106 C GLY A 11 -4.020 -11.750 -2.890 1.00 0.00 C ATOM 107 O GLY A 11 -4.136 -11.649 -1.668 1.00 0.00 O ATOM 0 H GLY A 11 -6.042 -13.521 -4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.264 -13.874 -2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.138 -13.326 -4.037 1.00 0.00 H new ATOM 111 N HIS A 12 -3.823 -10.704 -3.686 1.00 0.00 N ATOM 112 CA HIS A 12 -3.730 -9.348 -3.158 1.00 0.00 C ATOM 113 C HIS A 12 -4.772 -9.117 -2.067 1.00 0.00 C ATOM 114 O HIS A 12 -5.967 -9.317 -2.284 1.00 0.00 O ATOM 115 CB HIS A 12 -3.917 -8.327 -4.281 1.00 0.00 C ATOM 116 CG HIS A 12 -3.379 -8.784 -5.602 1.00 0.00 C ATOM 117 ND1 HIS A 12 -4.183 -9.242 -6.624 1.00 0.00 N ATOM 118 CD2 HIS A 12 -2.109 -8.851 -6.065 1.00 0.00 C ATOM 119 CE1 HIS A 12 -3.431 -9.572 -7.659 1.00 0.00 C ATOM 120 NE2 HIS A 12 -2.168 -9.344 -7.346 1.00 0.00 N ATOM 0 H HIS A 12 -3.725 -10.770 -4.699 1.00 0.00 H new ATOM 0 HA HIS A 12 -2.739 -9.221 -2.723 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.979 -8.107 -4.387 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.425 -7.396 -4.000 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.216 -8.569 -5.528 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -3.788 -9.962 -8.601 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -1.367 -9.507 -7.956 1.00 0.00 H new ATOM 129 N PHE A 13 -4.309 -8.698 -0.894 1.00 0.00 N ATOM 130 CA PHE A 13 -5.200 -8.442 0.232 1.00 0.00 C ATOM 131 C PHE A 13 -5.158 -6.971 0.636 1.00 0.00 C ATOM 132 O PHE A 13 -4.221 -6.250 0.296 1.00 0.00 O ATOM 133 CB PHE A 13 -4.816 -9.321 1.424 1.00 0.00 C ATOM 134 CG PHE A 13 -3.408 -9.105 1.899 1.00 0.00 C ATOM 135 CD1 PHE A 13 -3.124 -8.137 2.849 1.00 0.00 C ATOM 136 CD2 PHE A 13 -2.368 -9.869 1.395 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.829 -7.936 3.288 1.00 0.00 C ATOM 138 CE2 PHE A 13 -1.070 -9.672 1.830 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.801 -8.705 2.778 1.00 0.00 C ATOM 0 H PHE A 13 -3.322 -8.529 -0.698 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.216 -8.686 -0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.503 -9.124 2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.941 -10.368 1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.924 -7.533 3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.573 -10.627 0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.621 -7.178 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.268 -10.274 1.429 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.212 -8.550 3.120 1.00 0.00 H new ATOM 149 N SER A 14 -6.181 -6.534 1.363 1.00 0.00 N ATOM 150 CA SER A 14 -6.264 -5.149 1.810 1.00 0.00 C ATOM 151 C SER A 14 -6.020 -5.047 3.313 1.00 0.00 C ATOM 152 O SER A 14 -6.251 -6.001 4.057 1.00 0.00 O ATOM 153 CB SER A 14 -7.633 -4.560 1.464 1.00 0.00 C ATOM 154 OG SER A 14 -8.636 -5.053 2.336 1.00 0.00 O ATOM 0 H SER A 14 -6.964 -7.119 1.655 1.00 0.00 H new ATOM 0 HA SER A 14 -5.490 -4.580 1.294 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.592 -3.473 1.530 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.889 -4.807 0.434 1.00 0.00 H new ATOM 0 HG SER A 14 -9.501 -4.660 2.095 1.00 0.00 H new ATOM 160 N VAL A 15 -5.551 -3.884 3.753 1.00 0.00 N ATOM 161 CA VAL A 15 -5.275 -3.655 5.166 1.00 0.00 C ATOM 162 C VAL A 15 -6.205 -2.594 5.743 1.00 0.00 C ATOM 163 O VAL A 15 -6.216 -1.451 5.286 1.00 0.00 O ATOM 164 CB VAL A 15 -3.815 -3.219 5.390 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.547 -2.989 6.869 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.857 -4.255 4.821 1.00 0.00 C ATOM 0 H VAL A 15 -5.354 -3.085 3.150 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.446 -4.602 5.679 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.650 -2.278 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.510 -2.682 7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.210 -2.208 7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.728 -3.912 7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.830 -3.931 4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.021 -5.212 5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.033 -4.365 3.751 1.00 0.00 H new ATOM 176 N GLU A 16 -6.984 -2.980 6.749 1.00 0.00 N ATOM 177 CA GLU A 16 -7.918 -2.061 7.388 1.00 0.00 C ATOM 178 C GLU A 16 -7.453 -1.706 8.797 1.00 0.00 C ATOM 179 O GLU A 16 -7.538 -2.522 9.715 1.00 0.00 O ATOM 180 CB GLU A 16 -9.318 -2.675 7.440 1.00 0.00 C ATOM 181 CG GLU A 16 -9.826 -3.148 6.088 1.00 0.00 C ATOM 182 CD GLU A 16 -11.316 -3.429 6.090 1.00 0.00 C ATOM 183 OE1 GLU A 16 -12.048 -2.737 6.828 1.00 0.00 O ATOM 184 OE2 GLU A 16 -11.750 -4.340 5.355 1.00 0.00 O ATOM 0 H GLU A 16 -6.987 -3.923 7.139 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.953 -1.147 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.310 -3.518 8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.014 -1.939 7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.604 -2.391 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.290 -4.052 5.799 1.00 0.00 H new ATOM 191 N LEU A 17 -6.962 -0.482 8.961 1.00 0.00 N ATOM 192 CA LEU A 17 -6.483 -0.018 10.258 1.00 0.00 C ATOM 193 C LEU A 17 -7.185 1.274 10.667 1.00 0.00 C ATOM 194 O LEU A 17 -7.713 1.999 9.825 1.00 0.00 O ATOM 195 CB LEU A 17 -4.970 0.202 10.217 1.00 0.00 C ATOM 196 CG LEU A 17 -4.129 -0.999 9.780 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.679 -0.589 9.577 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.231 -2.121 10.802 1.00 0.00 C ATOM 0 H LEU A 17 -6.885 0.206 8.212 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.712 -0.785 10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.762 1.031 9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.641 0.509 11.210 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.518 -1.365 8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.096 -1.456 9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.623 0.181 8.807 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.277 -0.197 10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.627 -2.967 10.475 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.869 -1.768 11.767 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.271 -2.433 10.897 1.00 0.00 H new ATOM 210 N VAL A 18 -7.184 1.556 11.966 1.00 0.00 N ATOM 211 CA VAL A 18 -7.818 2.761 12.487 1.00 0.00 C ATOM 212 C VAL A 18 -6.779 3.737 13.029 1.00 0.00 C ATOM 213 O VAL A 18 -6.013 3.406 13.934 1.00 0.00 O ATOM 214 CB VAL A 18 -8.825 2.429 13.604 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.441 3.701 14.164 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.902 1.488 13.086 1.00 0.00 C ATOM 0 H VAL A 18 -6.751 0.966 12.677 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.350 3.223 11.655 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.293 1.927 14.412 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.150 3.446 14.952 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.655 4.336 14.574 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.960 4.235 13.368 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.605 1.263 13.888 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.433 1.962 12.260 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.441 0.564 12.738 1.00 0.00 H new ATOM 226 N ARG A 19 -6.759 4.943 12.469 1.00 0.00 N ATOM 227 CA ARG A 19 -5.814 5.968 12.895 1.00 0.00 C ATOM 228 C ARG A 19 -5.604 5.919 14.406 1.00 0.00 C ATOM 229 O ARG A 19 -6.556 6.020 15.179 1.00 0.00 O ATOM 230 CB ARG A 19 -6.313 7.354 12.483 1.00 0.00 C ATOM 231 CG ARG A 19 -5.375 8.482 12.883 1.00 0.00 C ATOM 232 CD ARG A 19 -5.584 9.714 12.016 1.00 0.00 C ATOM 233 NE ARG A 19 -4.541 10.714 12.226 1.00 0.00 N ATOM 234 CZ ARG A 19 -4.469 11.485 13.305 1.00 0.00 C ATOM 235 NH1 ARG A 19 -5.374 11.371 14.267 1.00 0.00 N ATOM 236 NH2 ARG A 19 -3.489 12.372 13.423 1.00 0.00 N ATOM 0 H ARG A 19 -7.387 5.234 11.719 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.859 5.773 12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.452 7.374 11.402 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.290 7.528 12.934 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.540 8.740 13.929 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.342 8.146 12.796 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.599 9.420 10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.557 10.153 12.238 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.829 10.827 11.505 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.128 10.690 14.180 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.316 11.964 15.095 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.791 12.462 12.685 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.434 12.964 14.252 1.00 0.00 H new ATOM 250 N GLY A 20 -4.350 5.763 14.819 1.00 0.00 N ATOM 251 CA GLY A 20 -4.038 5.703 16.235 1.00 0.00 C ATOM 252 C GLY A 20 -3.416 6.987 16.747 1.00 0.00 C ATOM 253 O GLY A 20 -4.058 8.038 16.750 1.00 0.00 O ATOM 0 H GLY A 20 -3.545 5.677 14.199 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.949 5.495 16.796 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.355 4.874 16.418 1.00 0.00 H new ATOM 257 N TYR A 21 -2.164 6.903 17.182 1.00 0.00 N ATOM 258 CA TYR A 21 -1.456 8.067 17.702 1.00 0.00 C ATOM 259 C TYR A 21 -0.751 8.823 16.580 1.00 0.00 C ATOM 260 O TYR A 21 0.026 8.245 15.820 1.00 0.00 O ATOM 261 CB TYR A 21 -0.439 7.640 18.761 1.00 0.00 C ATOM 262 CG TYR A 21 0.065 8.783 19.613 1.00 0.00 C ATOM 263 CD1 TYR A 21 -0.779 9.434 20.506 1.00 0.00 C ATOM 264 CD2 TYR A 21 1.383 9.213 19.526 1.00 0.00 C ATOM 265 CE1 TYR A 21 -0.324 10.479 21.285 1.00 0.00 C ATOM 266 CE2 TYR A 21 1.847 10.256 20.303 1.00 0.00 C ATOM 267 CZ TYR A 21 0.990 10.887 21.181 1.00 0.00 C ATOM 268 OH TYR A 21 1.448 11.927 21.956 1.00 0.00 O ATOM 0 H TYR A 21 -1.618 6.041 17.185 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.189 8.732 18.158 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.894 6.889 19.407 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.409 7.165 18.268 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.808 9.117 20.592 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.057 8.723 18.839 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.993 10.975 21.972 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.875 10.576 20.224 1.00 0.00 H new ATOM 0 HH TYR A 21 2.395 12.087 21.762 1.00 0.00 H new ATOM 278 N ALA A 22 -1.030 10.119 16.483 1.00 0.00 N ATOM 279 CA ALA A 22 -0.421 10.956 15.456 1.00 0.00 C ATOM 280 C ALA A 22 -0.261 10.190 14.147 1.00 0.00 C ATOM 281 O ALA A 22 0.819 10.164 13.559 1.00 0.00 O ATOM 282 CB ALA A 22 0.926 11.479 15.931 1.00 0.00 C ATOM 0 H ALA A 22 -1.673 10.612 17.103 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.083 11.802 15.273 1.00 0.00 H new ATOM 0 HB1 ALA A 22 1.369 12.102 15.154 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.788 12.071 16.836 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.588 10.639 16.144 1.00 0.00 H new ATOM 288 N GLY A 23 -1.345 9.565 13.695 1.00 0.00 N ATOM 289 CA GLY A 23 -1.303 8.806 12.459 1.00 0.00 C ATOM 290 C GLY A 23 -1.404 7.312 12.693 1.00 0.00 C ATOM 291 O GLY A 23 -1.928 6.870 13.715 1.00 0.00 O ATOM 0 H GLY A 23 -2.251 9.571 14.163 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.120 9.125 11.812 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.375 9.026 11.932 1.00 0.00 H new ATOM 295 N PHE A 24 -0.903 6.531 11.742 1.00 0.00 N ATOM 296 CA PHE A 24 -0.941 5.077 11.847 1.00 0.00 C ATOM 297 C PHE A 24 0.403 4.530 12.318 1.00 0.00 C ATOM 298 O PHE A 24 0.473 3.463 12.926 1.00 0.00 O ATOM 299 CB PHE A 24 -1.313 4.456 10.499 1.00 0.00 C ATOM 300 CG PHE A 24 -2.759 4.637 10.134 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.715 3.734 10.570 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.161 5.709 9.355 1.00 0.00 C ATOM 303 CE1 PHE A 24 -5.046 3.898 10.236 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.491 5.879 9.018 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.435 4.971 9.458 1.00 0.00 C ATOM 0 H PHE A 24 -0.466 6.881 10.889 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.700 4.811 12.583 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.692 4.899 9.720 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.083 3.391 10.523 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.417 2.892 11.178 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.427 6.421 9.007 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.782 3.188 10.583 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.792 6.721 8.412 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.474 5.100 9.194 1.00 0.00 H new ATOM 315 N GLY A 25 1.470 5.271 12.032 1.00 0.00 N ATOM 316 CA GLY A 25 2.798 4.844 12.432 1.00 0.00 C ATOM 317 C GLY A 25 3.457 3.954 11.398 1.00 0.00 C ATOM 318 O GLY A 25 4.387 3.209 11.711 1.00 0.00 O ATOM 0 H GLY A 25 1.438 6.159 11.531 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.422 5.721 12.603 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.734 4.309 13.380 1.00 0.00 H new ATOM 322 N LEU A 26 2.976 4.029 10.162 1.00 0.00 N ATOM 323 CA LEU A 26 3.524 3.222 9.078 1.00 0.00 C ATOM 324 C LEU A 26 4.281 4.092 8.080 1.00 0.00 C ATOM 325 O LEU A 26 3.758 5.094 7.590 1.00 0.00 O ATOM 326 CB LEU A 26 2.404 2.464 8.363 1.00 0.00 C ATOM 327 CG LEU A 26 2.844 1.478 7.281 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.581 0.300 7.899 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.645 0.997 6.477 1.00 0.00 C ATOM 0 H LEU A 26 2.208 4.640 9.886 1.00 0.00 H new ATOM 0 HA LEU A 26 4.222 2.505 9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.827 1.919 9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.731 3.192 7.910 1.00 0.00 H new ATOM 0 HG LEU A 26 3.527 1.993 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.886 -0.391 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.463 0.660 8.429 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.923 -0.215 8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.978 0.296 5.712 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.937 0.500 7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.160 1.850 6.002 1.00 0.00 H new ATOM 341 N THR A 27 5.517 3.702 7.780 1.00 0.00 N ATOM 342 CA THR A 27 6.346 4.446 6.840 1.00 0.00 C ATOM 343 C THR A 27 6.822 3.552 5.701 1.00 0.00 C ATOM 344 O THR A 27 7.001 2.346 5.877 1.00 0.00 O ATOM 345 CB THR A 27 7.571 5.063 7.539 1.00 0.00 C ATOM 346 OG1 THR A 27 7.150 5.866 8.648 1.00 0.00 O ATOM 347 CG2 THR A 27 8.377 5.914 6.568 1.00 0.00 C ATOM 0 H THR A 27 5.965 2.875 8.175 1.00 0.00 H new ATOM 0 HA THR A 27 5.726 5.246 6.436 1.00 0.00 H new ATOM 0 HB THR A 27 8.204 4.251 7.898 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.935 6.253 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.237 6.339 7.085 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.721 5.294 5.740 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.751 6.719 6.183 1.00 0.00 H new ATOM 355 N LEU A 28 7.026 4.149 4.532 1.00 0.00 N ATOM 356 CA LEU A 28 7.482 3.407 3.362 1.00 0.00 C ATOM 357 C LEU A 28 8.940 3.728 3.048 1.00 0.00 C ATOM 358 O LEU A 28 9.426 4.816 3.353 1.00 0.00 O ATOM 359 CB LEU A 28 6.604 3.732 2.153 1.00 0.00 C ATOM 360 CG LEU A 28 5.378 2.841 1.954 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.346 3.540 1.083 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.780 1.508 1.342 1.00 0.00 C ATOM 0 H LEU A 28 6.883 5.146 4.369 1.00 0.00 H new ATOM 0 HA LEU A 28 7.403 2.343 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.267 4.765 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.220 3.673 1.256 1.00 0.00 H new ATOM 0 HG LEU A 28 4.931 2.649 2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.480 2.891 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.034 4.468 1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.783 3.763 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.894 0.887 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.253 1.679 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.482 1.001 2.004 1.00 0.00 H new ATOM 374 N GLY A 29 9.632 2.773 2.435 1.00 0.00 N ATOM 375 CA GLY A 29 11.027 2.974 2.088 1.00 0.00 C ATOM 376 C GLY A 29 11.325 2.604 0.648 1.00 0.00 C ATOM 377 O GLY A 29 11.413 1.425 0.309 1.00 0.00 O ATOM 0 H GLY A 29 9.252 1.864 2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.293 4.018 2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.653 2.376 2.751 1.00 0.00 H new ATOM 381 N GLY A 30 11.481 3.615 -0.201 1.00 0.00 N ATOM 382 CA GLY A 30 11.768 3.369 -1.602 1.00 0.00 C ATOM 383 C GLY A 30 10.769 4.039 -2.525 1.00 0.00 C ATOM 384 O GLY A 30 10.368 5.179 -2.295 1.00 0.00 O ATOM 0 H GLY A 30 11.414 4.600 0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.770 3.730 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.765 2.295 -1.787 1.00 0.00 H new ATOM 388 N GLY A 31 10.367 3.329 -3.575 1.00 0.00 N ATOM 389 CA GLY A 31 9.413 3.879 -4.521 1.00 0.00 C ATOM 390 C GLY A 31 10.089 4.548 -5.702 1.00 0.00 C ATOM 391 O GLY A 31 11.091 4.051 -6.215 1.00 0.00 O ATOM 0 H GLY A 31 10.685 2.383 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.763 3.082 -4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.777 4.603 -4.012 1.00 0.00 H new ATOM 395 N ARG A 32 9.538 5.677 -6.135 1.00 0.00 N ATOM 396 CA ARG A 32 10.092 6.413 -7.265 1.00 0.00 C ATOM 397 C ARG A 32 11.015 7.530 -6.786 1.00 0.00 C ATOM 398 O ARG A 32 10.565 8.507 -6.187 1.00 0.00 O ATOM 399 CB ARG A 32 8.967 6.999 -8.120 1.00 0.00 C ATOM 400 CG ARG A 32 9.369 7.253 -9.564 1.00 0.00 C ATOM 401 CD ARG A 32 9.957 8.645 -9.741 1.00 0.00 C ATOM 402 NE ARG A 32 10.147 8.983 -11.149 1.00 0.00 N ATOM 403 CZ ARG A 32 10.515 10.187 -11.572 1.00 0.00 C ATOM 404 NH1 ARG A 32 10.731 11.163 -10.700 1.00 0.00 N ATOM 405 NH2 ARG A 32 10.667 10.418 -12.870 1.00 0.00 N ATOM 0 H ARG A 32 8.709 6.102 -5.721 1.00 0.00 H new ATOM 0 HA ARG A 32 10.674 5.717 -7.869 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.116 6.318 -8.103 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.634 7.936 -7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.099 6.506 -9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.499 7.139 -10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.298 9.379 -9.278 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.914 8.703 -9.222 1.00 0.00 H new ATOM 0 HE ARG A 32 9.988 8.255 -11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.615 10.990 -9.702 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.014 12.087 -11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.501 9.670 -13.544 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.950 11.343 -13.194 1.00 0.00 H new ATOM 419 N ASP A 33 12.307 7.377 -7.054 1.00 0.00 N ATOM 420 CA ASP A 33 13.294 8.373 -6.652 1.00 0.00 C ATOM 421 C ASP A 33 13.912 9.049 -7.871 1.00 0.00 C ATOM 422 O ASP A 33 14.142 8.411 -8.899 1.00 0.00 O ATOM 423 CB ASP A 33 14.389 7.723 -5.804 1.00 0.00 C ATOM 424 CG ASP A 33 15.191 8.740 -5.017 1.00 0.00 C ATOM 425 OD1 ASP A 33 14.615 9.776 -4.624 1.00 0.00 O ATOM 426 OD2 ASP A 33 16.396 8.499 -4.793 1.00 0.00 O ATOM 0 H ASP A 33 12.695 6.573 -7.548 1.00 0.00 H new ATOM 0 HA ASP A 33 12.786 9.132 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.936 7.010 -5.115 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.059 7.158 -6.452 1.00 0.00 H new ATOM 431 N VAL A 34 14.178 10.346 -7.751 1.00 0.00 N ATOM 432 CA VAL A 34 14.769 11.110 -8.843 1.00 0.00 C ATOM 433 C VAL A 34 16.034 10.435 -9.364 1.00 0.00 C ATOM 434 O VAL A 34 16.313 10.457 -10.562 1.00 0.00 O ATOM 435 CB VAL A 34 15.111 12.546 -8.404 1.00 0.00 C ATOM 436 CG1 VAL A 34 15.986 12.530 -7.160 1.00 0.00 C ATOM 437 CG2 VAL A 34 15.790 13.302 -9.536 1.00 0.00 C ATOM 0 H VAL A 34 13.993 10.890 -6.908 1.00 0.00 H new ATOM 0 HA VAL A 34 14.026 11.149 -9.640 1.00 0.00 H new ATOM 0 HB VAL A 34 14.183 13.063 -8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 34 16.217 13.553 -6.865 1.00 0.00 H new ATOM 0 HG12 VAL A 34 15.457 12.029 -6.349 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.912 11.996 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.024 14.315 -9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 34 16.710 12.789 -9.816 1.00 0.00 H new ATOM 0 HG23 VAL A 34 15.123 13.345 -10.397 1.00 0.00 H new ATOM 447 N ALA A 35 16.796 9.836 -8.454 1.00 0.00 N ATOM 448 CA ALA A 35 18.030 9.153 -8.821 1.00 0.00 C ATOM 449 C ALA A 35 17.970 7.675 -8.451 1.00 0.00 C ATOM 450 O ALA A 35 18.997 7.047 -8.197 1.00 0.00 O ATOM 451 CB ALA A 35 19.222 9.820 -8.151 1.00 0.00 C ATOM 0 H ALA A 35 16.580 9.810 -7.457 1.00 0.00 H new ATOM 0 HA ALA A 35 18.149 9.225 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.137 9.299 -8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.283 10.861 -8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.101 9.779 -7.069 1.00 0.00 H new ATOM 457 N GLY A 36 16.760 7.125 -8.421 1.00 0.00 N ATOM 458 CA GLY A 36 16.589 5.725 -8.080 1.00 0.00 C ATOM 459 C GLY A 36 15.165 5.247 -8.286 1.00 0.00 C ATOM 460 O GLY A 36 14.217 6.019 -8.139 1.00 0.00 O ATOM 0 H GLY A 36 15.895 7.624 -8.627 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.263 5.121 -8.688 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.874 5.570 -7.039 1.00 0.00 H new ATOM 464 N ASP A 37 15.015 3.973 -8.630 1.00 0.00 N ATOM 465 CA ASP A 37 13.696 3.393 -8.858 1.00 0.00 C ATOM 466 C ASP A 37 13.573 2.037 -8.171 1.00 0.00 C ATOM 467 O ASP A 37 14.230 1.070 -8.558 1.00 0.00 O ATOM 468 CB ASP A 37 13.433 3.245 -10.357 1.00 0.00 C ATOM 469 CG ASP A 37 14.633 2.697 -11.104 1.00 0.00 C ATOM 470 OD1 ASP A 37 15.689 3.364 -11.103 1.00 0.00 O ATOM 471 OD2 ASP A 37 14.516 1.600 -11.689 1.00 0.00 O ATOM 0 H ASP A 37 15.790 3.322 -8.757 1.00 0.00 H new ATOM 0 HA ASP A 37 12.952 4.065 -8.431 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.580 2.583 -10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.162 4.215 -10.773 1.00 0.00 H new ATOM 476 N THR A 38 12.727 1.972 -7.148 1.00 0.00 N ATOM 477 CA THR A 38 12.519 0.735 -6.405 1.00 0.00 C ATOM 478 C THR A 38 11.050 0.555 -6.037 1.00 0.00 C ATOM 479 O THR A 38 10.303 1.520 -5.874 1.00 0.00 O ATOM 480 CB THR A 38 13.366 0.703 -5.119 1.00 0.00 C ATOM 481 OG1 THR A 38 13.042 1.824 -4.290 1.00 0.00 O ATOM 482 CG2 THR A 38 14.851 0.723 -5.449 1.00 0.00 C ATOM 0 H THR A 38 12.174 2.762 -6.815 1.00 0.00 H new ATOM 0 HA THR A 38 12.830 -0.081 -7.057 1.00 0.00 H new ATOM 0 HB THR A 38 13.140 -0.220 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.584 1.795 -3.474 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.429 0.700 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.101 -0.148 -6.055 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.088 1.631 -6.003 1.00 0.00 H new ATOM 490 N PRO A 39 10.624 -0.709 -5.901 1.00 0.00 N ATOM 491 CA PRO A 39 9.241 -1.045 -5.550 1.00 0.00 C ATOM 492 C PRO A 39 8.903 -0.673 -4.110 1.00 0.00 C ATOM 493 O PRO A 39 9.548 -1.138 -3.170 1.00 0.00 O ATOM 494 CB PRO A 39 9.187 -2.563 -5.737 1.00 0.00 C ATOM 495 CG PRO A 39 10.593 -3.019 -5.554 1.00 0.00 C ATOM 496 CD PRO A 39 11.460 -1.909 -6.081 1.00 0.00 C ATOM 0 HA PRO A 39 8.521 -0.501 -6.161 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.522 -3.028 -5.009 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.811 -2.827 -6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.806 -3.215 -4.503 1.00 0.00 H new ATOM 0 HG3 PRO A 39 10.776 -3.947 -6.095 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.396 -1.833 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.720 -2.065 -7.128 1.00 0.00 H new ATOM 504 N LEU A 40 7.888 0.167 -3.944 1.00 0.00 N ATOM 505 CA LEU A 40 7.463 0.601 -2.618 1.00 0.00 C ATOM 506 C LEU A 40 7.289 -0.592 -1.684 1.00 0.00 C ATOM 507 O LEU A 40 6.610 -1.562 -2.019 1.00 0.00 O ATOM 508 CB LEU A 40 6.152 1.385 -2.712 1.00 0.00 C ATOM 509 CG LEU A 40 6.285 2.890 -2.947 1.00 0.00 C ATOM 510 CD1 LEU A 40 4.927 3.504 -3.252 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.918 3.564 -1.738 1.00 0.00 C ATOM 0 H LEU A 40 7.344 0.561 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 40 8.238 1.249 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.557 0.962 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.592 1.230 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 40 6.934 3.049 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.041 4.575 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.511 3.042 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.254 3.335 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.005 4.635 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.294 3.397 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.909 3.144 -1.565 1.00 0.00 H new ATOM 523 N ALA A 41 7.907 -0.512 -0.509 1.00 0.00 N ATOM 524 CA ALA A 41 7.817 -1.583 0.475 1.00 0.00 C ATOM 525 C ALA A 41 7.965 -1.040 1.892 1.00 0.00 C ATOM 526 O ALA A 41 8.795 -0.168 2.151 1.00 0.00 O ATOM 527 CB ALA A 41 8.875 -2.641 0.201 1.00 0.00 C ATOM 0 H ALA A 41 8.475 0.283 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 41 6.831 -2.040 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.796 -3.435 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.723 -3.059 -0.794 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.865 -2.189 0.257 1.00 0.00 H new ATOM 533 N VAL A 42 7.153 -1.559 2.808 1.00 0.00 N ATOM 534 CA VAL A 42 7.194 -1.127 4.200 1.00 0.00 C ATOM 535 C VAL A 42 8.629 -0.918 4.669 1.00 0.00 C ATOM 536 O VAL A 42 9.525 -1.689 4.322 1.00 0.00 O ATOM 537 CB VAL A 42 6.506 -2.148 5.125 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.704 -1.764 6.584 1.00 0.00 C ATOM 539 CG2 VAL A 42 5.027 -2.258 4.790 1.00 0.00 C ATOM 0 H VAL A 42 6.459 -2.280 2.611 1.00 0.00 H new ATOM 0 HA VAL A 42 6.657 -0.180 4.253 1.00 0.00 H new ATOM 0 HB VAL A 42 6.964 -3.124 4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.211 -2.497 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.769 -1.741 6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.273 -0.779 6.763 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.557 -2.984 5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.551 -1.286 4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.911 -2.583 3.756 1.00 0.00 H new ATOM 549 N ARG A 43 8.841 0.129 5.459 1.00 0.00 N ATOM 550 CA ARG A 43 10.169 0.440 5.976 1.00 0.00 C ATOM 551 C ARG A 43 10.210 0.292 7.494 1.00 0.00 C ATOM 552 O ARG A 43 10.890 -0.585 8.024 1.00 0.00 O ATOM 553 CB ARG A 43 10.574 1.861 5.580 1.00 0.00 C ATOM 554 CG ARG A 43 12.069 2.117 5.672 1.00 0.00 C ATOM 555 CD ARG A 43 12.505 2.354 7.110 1.00 0.00 C ATOM 556 NE ARG A 43 13.912 2.737 7.199 1.00 0.00 N ATOM 557 CZ ARG A 43 14.589 2.787 8.341 1.00 0.00 C ATOM 558 NH1 ARG A 43 13.992 2.479 9.484 1.00 0.00 N ATOM 559 NH2 ARG A 43 15.867 3.144 8.340 1.00 0.00 N ATOM 0 H ARG A 43 8.111 0.777 5.755 1.00 0.00 H new ATOM 0 HA ARG A 43 10.876 -0.266 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.243 2.053 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.052 2.571 6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.611 1.265 5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.329 2.983 5.064 1.00 0.00 H new ATOM 0 HD2 ARG A 43 11.888 3.136 7.552 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.338 1.449 7.693 1.00 0.00 H new ATOM 0 HE ARG A 43 14.401 2.979 6.337 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.010 2.203 9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.515 2.518 10.359 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.330 3.380 7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.386 3.182 9.217 1.00 0.00 H new ATOM 573 N GLY A 44 9.477 1.158 8.188 1.00 0.00 N ATOM 574 CA GLY A 44 9.444 1.108 9.638 1.00 0.00 C ATOM 575 C GLY A 44 8.051 0.851 10.177 1.00 0.00 C ATOM 576 O GLY A 44 7.056 1.130 9.507 1.00 0.00 O ATOM 0 H GLY A 44 8.906 1.893 7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.116 0.324 9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.818 2.050 10.040 1.00 0.00 H new ATOM 580 N LEU A 45 7.978 0.318 11.392 1.00 0.00 N ATOM 581 CA LEU A 45 6.695 0.022 12.021 1.00 0.00 C ATOM 582 C LEU A 45 6.638 0.592 13.435 1.00 0.00 C ATOM 583 O LEU A 45 7.219 0.031 14.366 1.00 0.00 O ATOM 584 CB LEU A 45 6.460 -1.489 12.058 1.00 0.00 C ATOM 585 CG LEU A 45 5.765 -2.090 10.836 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.936 -3.601 10.815 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.290 -1.718 10.824 1.00 0.00 C ATOM 0 H LEU A 45 8.791 0.082 11.961 1.00 0.00 H new ATOM 0 HA LEU A 45 5.910 0.491 11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.423 -1.983 12.183 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.865 -1.723 12.941 1.00 0.00 H new ATOM 0 HG LEU A 45 6.229 -1.680 9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.435 -4.012 9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.997 -3.847 10.775 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.499 -4.029 11.717 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.812 -2.155 9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.811 -2.099 11.726 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.189 -0.633 10.790 1.00 0.00 H new ATOM 599 N LEU A 46 5.934 1.707 13.590 1.00 0.00 N ATOM 600 CA LEU A 46 5.799 2.353 14.891 1.00 0.00 C ATOM 601 C LEU A 46 5.525 1.324 15.983 1.00 0.00 C ATOM 602 O LEU A 46 4.669 0.451 15.829 1.00 0.00 O ATOM 603 CB LEU A 46 4.672 3.387 14.855 1.00 0.00 C ATOM 604 CG LEU A 46 4.814 4.567 15.816 1.00 0.00 C ATOM 605 CD1 LEU A 46 5.661 5.665 15.192 1.00 0.00 C ATOM 606 CD2 LEU A 46 3.444 5.104 16.207 1.00 0.00 C ATOM 0 H LEU A 46 5.447 2.183 12.831 1.00 0.00 H new ATOM 0 HA LEU A 46 6.739 2.857 15.118 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.597 3.778 13.840 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.732 2.879 15.072 1.00 0.00 H new ATOM 0 HG LEU A 46 5.316 4.218 16.718 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.751 6.497 15.891 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.653 5.274 14.964 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.187 6.012 14.274 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.564 5.944 16.892 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.915 5.437 15.314 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.871 4.317 16.696 1.00 0.00 H new ATOM 618 N LYS A 47 6.255 1.432 17.088 1.00 0.00 N ATOM 619 CA LYS A 47 6.089 0.515 18.209 1.00 0.00 C ATOM 620 C LYS A 47 4.718 0.685 18.853 1.00 0.00 C ATOM 621 O LYS A 47 4.299 1.801 19.160 1.00 0.00 O ATOM 622 CB LYS A 47 7.186 0.746 19.250 1.00 0.00 C ATOM 623 CG LYS A 47 7.267 -0.347 20.302 1.00 0.00 C ATOM 624 CD LYS A 47 6.361 -0.050 21.485 1.00 0.00 C ATOM 625 CE LYS A 47 5.991 -1.319 22.237 1.00 0.00 C ATOM 626 NZ LYS A 47 7.111 -1.805 23.090 1.00 0.00 N ATOM 0 H LYS A 47 6.968 2.147 17.231 1.00 0.00 H new ATOM 0 HA LYS A 47 6.167 -0.503 17.828 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.147 0.821 18.742 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.011 1.702 19.744 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.986 -1.302 19.858 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.296 -0.446 20.647 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.861 0.643 22.162 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.455 0.444 21.135 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.116 -1.130 22.859 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.714 -2.096 21.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.819 -2.671 23.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.938 -2.009 22.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.359 -1.074 23.787 1.00 0.00 H new ATOM 640 N ASP A 48 4.023 -0.429 19.057 1.00 0.00 N ATOM 641 CA ASP A 48 2.699 -0.403 19.668 1.00 0.00 C ATOM 642 C ASP A 48 1.718 0.385 18.806 1.00 0.00 C ATOM 643 O ASP A 48 0.900 1.148 19.318 1.00 0.00 O ATOM 644 CB ASP A 48 2.771 0.208 21.068 1.00 0.00 C ATOM 645 CG ASP A 48 1.496 -0.005 21.860 1.00 0.00 C ATOM 646 OD1 ASP A 48 0.452 -0.288 21.237 1.00 0.00 O ATOM 647 OD2 ASP A 48 1.543 0.111 23.103 1.00 0.00 O ATOM 0 H ASP A 48 4.354 -1.361 18.808 1.00 0.00 H new ATOM 0 HA ASP A 48 2.343 -1.430 19.746 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.609 -0.230 21.610 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.969 1.277 20.985 1.00 0.00 H new ATOM 652 N GLY A 49 1.807 0.196 17.493 1.00 0.00 N ATOM 653 CA GLY A 49 0.923 0.897 16.580 1.00 0.00 C ATOM 654 C GLY A 49 -0.187 0.010 16.052 1.00 0.00 C ATOM 655 O GLY A 49 -0.170 -1.209 16.222 1.00 0.00 O ATOM 0 H GLY A 49 2.476 -0.430 17.045 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.486 1.756 17.090 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.504 1.285 15.743 1.00 0.00 H new ATOM 659 N PRO A 50 -1.182 0.627 15.397 1.00 0.00 N ATOM 660 CA PRO A 50 -2.324 -0.096 14.830 1.00 0.00 C ATOM 661 C PRO A 50 -1.932 -0.951 13.630 1.00 0.00 C ATOM 662 O PRO A 50 -2.623 -1.909 13.286 1.00 0.00 O ATOM 663 CB PRO A 50 -3.275 1.024 14.400 1.00 0.00 C ATOM 664 CG PRO A 50 -2.392 2.202 14.168 1.00 0.00 C ATOM 665 CD PRO A 50 -1.267 2.078 15.157 1.00 0.00 C ATOM 0 HA PRO A 50 -2.760 -0.793 15.545 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.821 0.754 13.496 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.017 1.231 15.171 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.014 2.211 13.146 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.938 3.134 14.314 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.334 2.474 14.756 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.477 2.626 16.076 1.00 0.00 H new ATOM 673 N ALA A 51 -0.818 -0.598 12.997 1.00 0.00 N ATOM 674 CA ALA A 51 -0.332 -1.336 11.837 1.00 0.00 C ATOM 675 C ALA A 51 0.607 -2.461 12.255 1.00 0.00 C ATOM 676 O ALA A 51 0.534 -3.571 11.728 1.00 0.00 O ATOM 677 CB ALA A 51 0.368 -0.394 10.868 1.00 0.00 C ATOM 0 H ALA A 51 -0.235 0.194 13.268 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.191 -1.783 11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.726 -0.958 10.007 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.333 0.372 10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.213 0.080 11.368 1.00 0.00 H new ATOM 683 N GLN A 52 1.490 -2.167 13.205 1.00 0.00 N ATOM 684 CA GLN A 52 2.445 -3.155 13.692 1.00 0.00 C ATOM 685 C GLN A 52 1.738 -4.251 14.483 1.00 0.00 C ATOM 686 O GLN A 52 2.029 -5.436 14.317 1.00 0.00 O ATOM 687 CB GLN A 52 3.505 -2.483 14.566 1.00 0.00 C ATOM 688 CG GLN A 52 4.448 -3.465 15.243 1.00 0.00 C ATOM 689 CD GLN A 52 5.368 -4.162 14.261 1.00 0.00 C ATOM 690 OE1 GLN A 52 6.487 -3.711 14.014 1.00 0.00 O ATOM 691 NE2 GLN A 52 4.901 -5.269 13.696 1.00 0.00 N ATOM 0 H GLN A 52 1.563 -1.253 13.652 1.00 0.00 H new ATOM 0 HA GLN A 52 2.931 -3.610 12.829 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.088 -1.797 13.952 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.008 -1.884 15.329 1.00 0.00 H new ATOM 0 HG2 GLN A 52 5.047 -2.935 15.984 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.864 -4.212 15.781 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.967 -5.606 13.930 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.476 -5.782 13.028 1.00 0.00 H new ATOM 700 N ARG A 53 0.810 -3.847 15.345 1.00 0.00 N ATOM 701 CA ARG A 53 0.063 -4.795 16.163 1.00 0.00 C ATOM 702 C ARG A 53 -0.683 -5.799 15.288 1.00 0.00 C ATOM 703 O ARG A 53 -0.609 -7.008 15.512 1.00 0.00 O ATOM 704 CB ARG A 53 -0.927 -4.055 17.064 1.00 0.00 C ATOM 705 CG ARG A 53 -0.325 -3.599 18.383 1.00 0.00 C ATOM 706 CD ARG A 53 -1.399 -3.361 19.433 1.00 0.00 C ATOM 707 NE ARG A 53 -2.094 -4.594 19.793 1.00 0.00 N ATOM 708 CZ ARG A 53 -2.893 -4.706 20.849 1.00 0.00 C ATOM 709 NH1 ARG A 53 -3.097 -3.664 21.643 1.00 0.00 N ATOM 710 NH2 ARG A 53 -3.491 -5.861 21.111 1.00 0.00 N ATOM 0 H ARG A 53 0.558 -2.870 15.495 1.00 0.00 H new ATOM 0 HA ARG A 53 0.774 -5.338 16.785 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.312 -3.186 16.530 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.777 -4.706 17.268 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.377 -4.351 18.743 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.243 -2.682 18.227 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.945 -2.927 20.324 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.120 -2.635 19.057 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.959 -5.414 19.202 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.640 -2.774 21.444 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.711 -3.752 22.453 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.338 -6.664 20.502 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.104 -5.946 21.922 1.00 0.00 H new ATOM 724 N CYS A 54 -1.400 -5.290 14.292 1.00 0.00 N ATOM 725 CA CYS A 54 -2.161 -6.142 13.385 1.00 0.00 C ATOM 726 C CYS A 54 -1.259 -7.189 12.738 1.00 0.00 C ATOM 727 O CYS A 54 -1.687 -8.311 12.471 1.00 0.00 O ATOM 728 CB CYS A 54 -2.836 -5.296 12.304 1.00 0.00 C ATOM 729 SG CYS A 54 -4.470 -4.674 12.768 1.00 0.00 S ATOM 0 H CYS A 54 -1.470 -4.292 14.092 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.927 -6.656 13.965 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.192 -4.450 12.064 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.930 -5.893 11.397 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.367 -3.442 13.169 1.00 0.00 H new ATOM 735 N GLY A 55 -0.009 -6.812 12.488 1.00 0.00 N ATOM 736 CA GLY A 55 0.933 -7.729 11.873 1.00 0.00 C ATOM 737 C GLY A 55 0.789 -7.784 10.365 1.00 0.00 C ATOM 738 O GLY A 55 1.784 -7.833 9.641 1.00 0.00 O ATOM 0 H GLY A 55 0.368 -5.888 12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.949 -7.426 12.127 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.786 -8.727 12.286 1.00 0.00 H new ATOM 742 N ARG A 56 -0.452 -7.776 9.890 1.00 0.00 N ATOM 743 CA ARG A 56 -0.723 -7.828 8.459 1.00 0.00 C ATOM 744 C ARG A 56 0.347 -7.072 7.676 1.00 0.00 C ATOM 745 O ARG A 56 0.733 -7.479 6.579 1.00 0.00 O ATOM 746 CB ARG A 56 -2.102 -7.240 8.157 1.00 0.00 C ATOM 747 CG ARG A 56 -3.245 -8.002 8.807 1.00 0.00 C ATOM 748 CD ARG A 56 -4.597 -7.494 8.331 1.00 0.00 C ATOM 749 NE ARG A 56 -5.700 -8.081 9.086 1.00 0.00 N ATOM 750 CZ ARG A 56 -6.976 -7.770 8.886 1.00 0.00 C ATOM 751 NH1 ARG A 56 -7.307 -6.882 7.959 1.00 0.00 N ATOM 752 NH2 ARG A 56 -7.923 -8.347 9.614 1.00 0.00 N ATOM 0 H ARG A 56 -1.286 -7.734 10.476 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.706 -8.873 8.149 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.128 -6.204 8.496 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.253 -7.226 7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.153 -9.064 8.577 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.179 -7.904 9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.630 -6.409 8.426 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.719 -7.725 7.273 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.479 -8.768 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.581 -6.436 7.398 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.287 -6.645 7.807 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.672 -9.030 10.328 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.902 -8.107 9.459 1.00 0.00 H new ATOM 766 N LEU A 57 0.820 -5.969 8.245 1.00 0.00 N ATOM 767 CA LEU A 57 1.845 -5.155 7.600 1.00 0.00 C ATOM 768 C LEU A 57 3.216 -5.417 8.216 1.00 0.00 C ATOM 769 O LEU A 57 3.389 -5.325 9.431 1.00 0.00 O ATOM 770 CB LEU A 57 1.495 -3.670 7.720 1.00 0.00 C ATOM 771 CG LEU A 57 0.302 -3.193 6.892 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.034 -1.717 7.143 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.544 -3.449 5.412 1.00 0.00 C ATOM 0 H LEU A 57 0.511 -5.618 9.151 1.00 0.00 H new ATOM 0 HA LEU A 57 1.882 -5.430 6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.296 -3.448 8.768 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.369 -3.087 7.431 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.578 -3.758 7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.819 -1.395 6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.184 -1.561 8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.913 -1.135 6.865 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.315 -3.103 4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.436 -2.911 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.686 -4.517 5.246 1.00 0.00 H new ATOM 785 N GLU A 58 4.187 -5.743 7.368 1.00 0.00 N ATOM 786 CA GLU A 58 5.543 -6.017 7.830 1.00 0.00 C ATOM 787 C GLU A 58 6.573 -5.378 6.903 1.00 0.00 C ATOM 788 O GLU A 58 6.274 -5.055 5.753 1.00 0.00 O ATOM 789 CB GLU A 58 5.781 -7.526 7.913 1.00 0.00 C ATOM 790 CG GLU A 58 5.397 -8.130 9.253 1.00 0.00 C ATOM 791 CD GLU A 58 5.954 -7.348 10.427 1.00 0.00 C ATOM 792 OE1 GLU A 58 7.190 -7.345 10.604 1.00 0.00 O ATOM 793 OE2 GLU A 58 5.154 -6.739 11.167 1.00 0.00 O ATOM 0 H GLU A 58 4.060 -5.824 6.359 1.00 0.00 H new ATOM 0 HA GLU A 58 5.656 -5.583 8.824 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.211 -8.019 7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.834 -7.730 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.311 -8.170 9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.759 -9.157 9.301 1.00 0.00 H new ATOM 800 N VAL A 59 7.787 -5.198 7.412 1.00 0.00 N ATOM 801 CA VAL A 59 8.863 -4.599 6.630 1.00 0.00 C ATOM 802 C VAL A 59 9.267 -5.500 5.469 1.00 0.00 C ATOM 803 O VAL A 59 9.589 -6.672 5.663 1.00 0.00 O ATOM 804 CB VAL A 59 10.100 -4.317 7.503 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.252 -3.811 6.648 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.762 -3.319 8.600 1.00 0.00 C ATOM 0 H VAL A 59 8.051 -5.458 8.362 1.00 0.00 H new ATOM 0 HA VAL A 59 8.482 -3.656 6.237 1.00 0.00 H new ATOM 0 HB VAL A 59 10.410 -5.249 7.975 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.117 -3.617 7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.509 -4.563 5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.956 -2.890 6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.648 -3.132 9.207 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.426 -2.385 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.970 -3.725 9.229 1.00 0.00 H new ATOM 816 N GLY A 60 9.249 -4.945 4.261 1.00 0.00 N ATOM 817 CA GLY A 60 9.616 -5.713 3.086 1.00 0.00 C ATOM 818 C GLY A 60 8.435 -5.977 2.173 1.00 0.00 C ATOM 819 O GLY A 60 8.598 -6.114 0.961 1.00 0.00 O ATOM 0 H GLY A 60 8.987 -3.977 4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.387 -5.177 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.050 -6.663 3.398 1.00 0.00 H new ATOM 823 N ASP A 61 7.244 -6.049 2.756 1.00 0.00 N ATOM 824 CA ASP A 61 6.030 -6.298 1.987 1.00 0.00 C ATOM 825 C ASP A 61 5.982 -5.413 0.745 1.00 0.00 C ATOM 826 O ASP A 61 6.464 -4.279 0.759 1.00 0.00 O ATOM 827 CB ASP A 61 4.793 -6.053 2.852 1.00 0.00 C ATOM 828 CG ASP A 61 4.621 -7.106 3.928 1.00 0.00 C ATOM 829 OD1 ASP A 61 5.626 -7.458 4.580 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.481 -7.578 4.119 1.00 0.00 O ATOM 0 H ASP A 61 7.093 -5.939 3.759 1.00 0.00 H new ATOM 0 HA ASP A 61 6.039 -7.340 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.868 -5.071 3.318 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.907 -6.038 2.218 1.00 0.00 H new ATOM 835 N LEU A 62 5.400 -5.938 -0.327 1.00 0.00 N ATOM 836 CA LEU A 62 5.289 -5.196 -1.578 1.00 0.00 C ATOM 837 C LEU A 62 3.891 -4.610 -1.742 1.00 0.00 C ATOM 838 O LEU A 62 2.891 -5.317 -1.614 1.00 0.00 O ATOM 839 CB LEU A 62 5.616 -6.106 -2.764 1.00 0.00 C ATOM 840 CG LEU A 62 6.835 -7.013 -2.598 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.854 -8.085 -3.677 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.118 -6.195 -2.633 1.00 0.00 C ATOM 0 H LEU A 62 4.998 -6.875 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 62 6.005 -4.375 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.747 -6.732 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.770 -5.481 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 62 6.768 -7.505 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.729 -8.721 -3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.951 -8.690 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.896 -7.613 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.975 -6.857 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.192 -5.675 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.107 -5.466 -1.823 1.00 0.00 H new ATOM 854 N VAL A 63 3.827 -3.314 -2.029 1.00 0.00 N ATOM 855 CA VAL A 63 2.552 -2.633 -2.214 1.00 0.00 C ATOM 856 C VAL A 63 2.201 -2.515 -3.693 1.00 0.00 C ATOM 857 O VAL A 63 2.940 -1.908 -4.471 1.00 0.00 O ATOM 858 CB VAL A 63 2.570 -1.226 -1.588 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.157 -0.674 -1.472 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.253 -1.256 -0.229 1.00 0.00 C ATOM 0 H VAL A 63 4.645 -2.714 -2.139 1.00 0.00 H new ATOM 0 HA VAL A 63 1.796 -3.236 -1.711 1.00 0.00 H new ATOM 0 HB VAL A 63 3.140 -0.565 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.190 0.321 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.707 -0.614 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.560 -1.333 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.257 -0.253 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.713 -1.932 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.279 -1.605 -0.345 1.00 0.00 H new ATOM 870 N LEU A 64 1.071 -3.098 -4.076 1.00 0.00 N ATOM 871 CA LEU A 64 0.621 -3.058 -5.463 1.00 0.00 C ATOM 872 C LEU A 64 -0.286 -1.856 -5.707 1.00 0.00 C ATOM 873 O LEU A 64 -0.158 -1.163 -6.716 1.00 0.00 O ATOM 874 CB LEU A 64 -0.118 -4.350 -5.817 1.00 0.00 C ATOM 875 CG LEU A 64 0.738 -5.615 -5.885 1.00 0.00 C ATOM 876 CD1 LEU A 64 1.776 -5.499 -6.990 1.00 0.00 C ATOM 877 CD2 LEU A 64 1.409 -5.877 -4.545 1.00 0.00 C ATOM 0 H LEU A 64 0.449 -3.604 -3.446 1.00 0.00 H new ATOM 0 HA LEU A 64 1.499 -2.962 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.906 -4.508 -5.081 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.606 -4.213 -6.782 1.00 0.00 H new ATOM 0 HG LEU A 64 0.087 -6.459 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.376 -6.409 -7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.274 -5.360 -7.948 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.424 -4.645 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.014 -6.781 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.047 -5.032 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.648 -6.006 -3.776 1.00 0.00 H new ATOM 889 N HIS A 65 -1.203 -1.614 -4.775 1.00 0.00 N ATOM 890 CA HIS A 65 -2.130 -0.494 -4.887 1.00 0.00 C ATOM 891 C HIS A 65 -2.484 0.058 -3.510 1.00 0.00 C ATOM 892 O HIS A 65 -2.164 -0.548 -2.486 1.00 0.00 O ATOM 893 CB HIS A 65 -3.401 -0.928 -5.618 1.00 0.00 C ATOM 894 CG HIS A 65 -3.143 -1.509 -6.974 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.376 -0.878 -7.930 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.555 -2.672 -7.532 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.328 -1.626 -9.017 1.00 0.00 C ATOM 898 NE2 HIS A 65 -3.035 -2.721 -8.802 1.00 0.00 N ATOM 0 H HIS A 65 -1.324 -2.179 -3.934 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.642 0.294 -5.460 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.926 -1.665 -5.010 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.063 -0.068 -5.720 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.177 -3.422 -7.065 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.800 -1.384 -9.928 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -3.172 -3.479 -9.470 1.00 0.00 H new ATOM 907 N ILE A 66 -3.147 1.210 -3.492 1.00 0.00 N ATOM 908 CA ILE A 66 -3.544 1.842 -2.240 1.00 0.00 C ATOM 909 C ILE A 66 -4.902 2.524 -2.376 1.00 0.00 C ATOM 910 O ILE A 66 -5.121 3.315 -3.292 1.00 0.00 O ATOM 911 CB ILE A 66 -2.504 2.881 -1.779 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.163 2.201 -1.497 1.00 0.00 C ATOM 913 CG2 ILE A 66 -3.002 3.616 -0.543 1.00 0.00 C ATOM 914 CD1 ILE A 66 -0.014 3.173 -1.344 1.00 0.00 C ATOM 0 H ILE A 66 -3.420 1.724 -4.330 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.610 1.051 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.360 3.609 -2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.250 1.607 -0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.938 1.509 -2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.257 4.347 -0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.936 4.127 -0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.171 2.901 0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.905 2.622 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.100 3.750 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.218 3.849 -0.514 1.00 0.00 H new ATOM 926 N ASN A 67 -5.808 2.213 -1.455 1.00 0.00 N ATOM 927 CA ASN A 67 -7.145 2.796 -1.471 1.00 0.00 C ATOM 928 C ASN A 67 -7.801 2.617 -2.837 1.00 0.00 C ATOM 929 O ASN A 67 -8.412 3.542 -3.370 1.00 0.00 O ATOM 930 CB ASN A 67 -7.079 4.283 -1.115 1.00 0.00 C ATOM 931 CG ASN A 67 -6.949 4.515 0.378 1.00 0.00 C ATOM 932 OD1 ASN A 67 -7.899 4.312 1.134 1.00 0.00 O ATOM 933 ND2 ASN A 67 -5.769 4.944 0.809 1.00 0.00 N ATOM 0 H ASN A 67 -5.641 1.561 -0.689 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.750 2.277 -0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.231 4.739 -1.626 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.977 4.781 -1.481 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.622 5.119 1.803 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.009 5.099 0.146 1.00 0.00 H new ATOM 940 N GLY A 68 -7.669 1.419 -3.398 1.00 0.00 N ATOM 941 CA GLY A 68 -8.254 1.140 -4.696 1.00 0.00 C ATOM 942 C GLY A 68 -7.734 2.065 -5.778 1.00 0.00 C ATOM 943 O GLY A 68 -8.391 2.269 -6.798 1.00 0.00 O ATOM 0 H GLY A 68 -7.168 0.637 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.041 0.107 -4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.338 1.236 -4.631 1.00 0.00 H new ATOM 947 N GLU A 69 -6.550 2.628 -5.554 1.00 0.00 N ATOM 948 CA GLU A 69 -5.944 3.540 -6.518 1.00 0.00 C ATOM 949 C GLU A 69 -4.647 2.959 -7.074 1.00 0.00 C ATOM 950 O GLU A 69 -3.702 2.697 -6.330 1.00 0.00 O ATOM 951 CB GLU A 69 -5.670 4.897 -5.867 1.00 0.00 C ATOM 952 CG GLU A 69 -6.926 5.606 -5.387 1.00 0.00 C ATOM 953 CD GLU A 69 -7.677 6.289 -6.513 1.00 0.00 C ATOM 954 OE1 GLU A 69 -8.195 5.575 -7.398 1.00 0.00 O ATOM 955 OE2 GLU A 69 -7.748 7.535 -6.511 1.00 0.00 O ATOM 0 H GLU A 69 -5.992 2.469 -4.715 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.644 3.676 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.997 4.756 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.153 5.536 -6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.583 4.884 -4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.655 6.346 -4.634 1.00 0.00 H new ATOM 962 N SER A 70 -4.611 2.761 -8.388 1.00 0.00 N ATOM 963 CA SER A 70 -3.432 2.207 -9.045 1.00 0.00 C ATOM 964 C SER A 70 -2.224 3.119 -8.851 1.00 0.00 C ATOM 965 O SER A 70 -2.267 4.305 -9.180 1.00 0.00 O ATOM 966 CB SER A 70 -3.701 2.008 -10.538 1.00 0.00 C ATOM 967 OG SER A 70 -4.799 1.137 -10.746 1.00 0.00 O ATOM 0 H SER A 70 -5.384 2.976 -9.018 1.00 0.00 H new ATOM 0 HA SER A 70 -3.213 1.241 -8.591 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.903 2.971 -11.006 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.812 1.600 -11.020 1.00 0.00 H new ATOM 0 HG SER A 70 -4.952 1.027 -11.708 1.00 0.00 H new ATOM 973 N THR A 71 -1.146 2.556 -8.315 1.00 0.00 N ATOM 974 CA THR A 71 0.074 3.316 -8.075 1.00 0.00 C ATOM 975 C THR A 71 0.983 3.298 -9.300 1.00 0.00 C ATOM 976 O THR A 71 2.100 3.812 -9.262 1.00 0.00 O ATOM 977 CB THR A 71 0.852 2.765 -6.865 1.00 0.00 C ATOM 978 OG1 THR A 71 1.973 3.608 -6.578 1.00 0.00 O ATOM 979 CG2 THR A 71 1.332 1.346 -7.132 1.00 0.00 C ATOM 0 H THR A 71 -1.093 1.576 -8.039 1.00 0.00 H new ATOM 0 HA THR A 71 -0.230 4.342 -7.865 1.00 0.00 H new ATOM 0 HB THR A 71 0.182 2.749 -6.006 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.369 3.922 -7.417 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.879 0.977 -6.264 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.474 0.701 -7.321 1.00 0.00 H new ATOM 0 HG23 THR A 71 1.988 1.342 -8.003 1.00 0.00 H new ATOM 987 N GLN A 72 0.495 2.702 -10.383 1.00 0.00 N ATOM 988 CA GLN A 72 1.265 2.618 -11.619 1.00 0.00 C ATOM 989 C GLN A 72 1.767 3.994 -12.043 1.00 0.00 C ATOM 990 O GLN A 72 2.857 4.124 -12.598 1.00 0.00 O ATOM 991 CB GLN A 72 0.414 2.007 -12.734 1.00 0.00 C ATOM 992 CG GLN A 72 1.230 1.475 -13.900 1.00 0.00 C ATOM 993 CD GLN A 72 0.369 1.082 -15.085 1.00 0.00 C ATOM 994 OE1 GLN A 72 -0.561 1.799 -15.456 1.00 0.00 O ATOM 995 NE2 GLN A 72 0.674 -0.062 -15.685 1.00 0.00 N ATOM 0 H GLN A 72 -0.428 2.271 -10.430 1.00 0.00 H new ATOM 0 HA GLN A 72 2.128 1.977 -11.437 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.184 1.195 -12.320 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.282 2.760 -13.102 1.00 0.00 H new ATOM 0 HG2 GLN A 72 1.947 2.234 -14.213 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.805 0.610 -13.571 1.00 0.00 H new ATOM 0 HE21 GLN A 72 1.453 -0.625 -15.344 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.129 -0.378 -16.487 1.00 0.00 H new ATOM 1004 N GLY A 73 0.964 5.020 -11.777 1.00 0.00 N ATOM 1005 CA GLY A 73 1.345 6.373 -12.138 1.00 0.00 C ATOM 1006 C GLY A 73 1.415 7.295 -10.937 1.00 0.00 C ATOM 1007 O GLY A 73 1.225 8.506 -11.063 1.00 0.00 O ATOM 0 H GLY A 73 0.057 4.938 -11.318 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.315 6.354 -12.635 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.627 6.770 -12.856 1.00 0.00 H new ATOM 1011 N LEU A 74 1.687 6.724 -9.769 1.00 0.00 N ATOM 1012 CA LEU A 74 1.780 7.503 -8.539 1.00 0.00 C ATOM 1013 C LEU A 74 3.149 7.332 -7.889 1.00 0.00 C ATOM 1014 O LEU A 74 3.610 6.212 -7.668 1.00 0.00 O ATOM 1015 CB LEU A 74 0.682 7.081 -7.561 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.754 7.364 -8.002 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.732 7.017 -6.890 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.908 8.821 -8.414 1.00 0.00 C ATOM 0 H LEU A 74 1.847 5.724 -9.648 1.00 0.00 H new ATOM 0 HA LEU A 74 1.648 8.555 -8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.780 6.011 -7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.855 7.586 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.979 6.737 -8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.749 7.225 -7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.640 5.960 -6.642 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.508 7.617 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.936 9.004 -8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.664 9.466 -7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.234 9.038 -9.243 1.00 0.00 H new ATOM 1030 N THR A 75 3.797 8.452 -7.582 1.00 0.00 N ATOM 1031 CA THR A 75 5.113 8.428 -6.956 1.00 0.00 C ATOM 1032 C THR A 75 5.004 8.166 -5.458 1.00 0.00 C ATOM 1033 O THR A 75 3.909 7.970 -4.930 1.00 0.00 O ATOM 1034 CB THR A 75 5.867 9.752 -7.182 1.00 0.00 C ATOM 1035 OG1 THR A 75 4.978 10.859 -7.000 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.468 9.801 -8.579 1.00 0.00 C ATOM 0 H THR A 75 3.431 9.388 -7.757 1.00 0.00 H new ATOM 0 HA THR A 75 5.671 7.617 -7.424 1.00 0.00 H new ATOM 0 HB THR A 75 6.676 9.813 -6.454 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.465 11.697 -7.144 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.995 10.745 -8.715 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.167 8.974 -8.704 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.673 9.719 -9.320 1.00 0.00 H new ATOM 1044 N HIS A 76 6.146 8.166 -4.778 1.00 0.00 N ATOM 1045 CA HIS A 76 6.179 7.930 -3.339 1.00 0.00 C ATOM 1046 C HIS A 76 5.292 8.931 -2.604 1.00 0.00 C ATOM 1047 O HIS A 76 4.457 8.551 -1.785 1.00 0.00 O ATOM 1048 CB HIS A 76 7.613 8.023 -2.818 1.00 0.00 C ATOM 1049 CG HIS A 76 7.714 7.949 -1.326 1.00 0.00 C ATOM 1050 ND1 HIS A 76 8.268 8.952 -0.558 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.327 6.984 -0.459 1.00 0.00 C ATOM 1052 CE1 HIS A 76 8.219 8.607 0.716 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.652 7.417 0.804 1.00 0.00 N ATOM 0 H HIS A 76 7.061 8.327 -5.200 1.00 0.00 H new ATOM 0 HA HIS A 76 5.797 6.926 -3.152 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.202 7.216 -3.254 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.054 8.960 -3.158 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.851 6.048 -0.713 1.00 0.00 H new ATOM 0 HE1 HIS A 76 8.581 9.197 1.545 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.483 6.903 1.669 1.00 0.00 H new ATOM 1062 N ALA A 77 5.481 10.213 -2.903 1.00 0.00 N ATOM 1063 CA ALA A 77 4.698 11.268 -2.272 1.00 0.00 C ATOM 1064 C ALA A 77 3.218 11.131 -2.613 1.00 0.00 C ATOM 1065 O ALA A 77 2.353 11.471 -1.806 1.00 0.00 O ATOM 1066 CB ALA A 77 5.216 12.634 -2.696 1.00 0.00 C ATOM 0 H ALA A 77 6.170 10.545 -3.578 1.00 0.00 H new ATOM 0 HA ALA A 77 4.805 11.171 -1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.622 13.413 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.259 12.737 -2.396 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.139 12.732 -3.779 1.00 0.00 H new ATOM 1072 N GLN A 78 2.935 10.634 -3.812 1.00 0.00 N ATOM 1073 CA GLN A 78 1.559 10.455 -4.259 1.00 0.00 C ATOM 1074 C GLN A 78 0.891 9.303 -3.516 1.00 0.00 C ATOM 1075 O GLN A 78 -0.231 9.435 -3.027 1.00 0.00 O ATOM 1076 CB GLN A 78 1.519 10.196 -5.766 1.00 0.00 C ATOM 1077 CG GLN A 78 1.835 11.425 -6.603 1.00 0.00 C ATOM 1078 CD GLN A 78 0.691 12.419 -6.635 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.404 12.139 -6.146 1.00 0.00 O ATOM 1080 NE2 GLN A 78 0.939 13.590 -7.212 1.00 0.00 N ATOM 0 H GLN A 78 3.640 10.348 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 78 1.011 11.371 -4.040 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.231 9.408 -6.010 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.530 9.827 -6.037 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.724 11.913 -6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.071 11.116 -7.621 1.00 0.00 H new ATOM 0 HE21 GLN A 78 1.861 13.780 -7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.207 14.299 -7.262 1.00 0.00 H new ATOM 1089 N ALA A 79 1.587 8.174 -3.435 1.00 0.00 N ATOM 1090 CA ALA A 79 1.061 7.000 -2.750 1.00 0.00 C ATOM 1091 C ALA A 79 0.912 7.258 -1.255 1.00 0.00 C ATOM 1092 O ALA A 79 0.007 6.727 -0.610 1.00 0.00 O ATOM 1093 CB ALA A 79 1.964 5.799 -2.993 1.00 0.00 C ATOM 0 H ALA A 79 2.517 8.048 -3.835 1.00 0.00 H new ATOM 0 HA ALA A 79 0.072 6.786 -3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.559 4.929 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.016 5.594 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.964 6.013 -2.615 1.00 0.00 H new ATOM 1099 N VAL A 80 1.806 8.076 -0.708 1.00 0.00 N ATOM 1100 CA VAL A 80 1.773 8.404 0.712 1.00 0.00 C ATOM 1101 C VAL A 80 0.642 9.378 1.025 1.00 0.00 C ATOM 1102 O VAL A 80 -0.237 9.083 1.834 1.00 0.00 O ATOM 1103 CB VAL A 80 3.107 9.018 1.177 1.00 0.00 C ATOM 1104 CG1 VAL A 80 3.036 9.398 2.648 1.00 0.00 C ATOM 1105 CG2 VAL A 80 4.255 8.052 0.923 1.00 0.00 C ATOM 0 H VAL A 80 2.562 8.523 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 80 1.604 7.470 1.249 1.00 0.00 H new ATOM 0 HB VAL A 80 3.290 9.925 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.987 9.830 2.959 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.240 10.128 2.797 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.830 8.509 3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.190 8.502 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.080 7.127 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.318 7.834 -0.143 1.00 0.00 H new ATOM 1115 N GLU A 81 0.673 10.539 0.379 1.00 0.00 N ATOM 1116 CA GLU A 81 -0.351 11.556 0.589 1.00 0.00 C ATOM 1117 C GLU A 81 -1.742 10.929 0.626 1.00 0.00 C ATOM 1118 O GLU A 81 -2.630 11.405 1.334 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.285 12.613 -0.516 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.155 12.290 -1.719 1.00 0.00 C ATOM 1121 CD GLU A 81 -2.573 12.805 -1.569 1.00 0.00 C ATOM 1122 OE1 GLU A 81 -2.756 14.039 -1.527 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -3.501 11.971 -1.494 1.00 0.00 O ATOM 0 H GLU A 81 1.395 10.799 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.161 12.033 1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.590 13.575 -0.105 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.749 12.720 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.708 12.724 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.178 11.210 -1.866 1.00 0.00 H new ATOM 1130 N ARG A 82 -1.923 9.860 -0.141 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.205 9.169 -0.198 1.00 0.00 C ATOM 1132 C ARG A 82 -3.544 8.539 1.150 1.00 0.00 C ATOM 1133 O ARG A 82 -4.673 8.645 1.629 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.181 8.091 -1.284 1.00 0.00 C ATOM 1135 CG ARG A 82 -2.996 8.645 -2.687 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.331 8.989 -3.330 1.00 0.00 C ATOM 1137 NE ARG A 82 -4.226 9.101 -4.783 1.00 0.00 N ATOM 1138 CZ ARG A 82 -5.166 9.645 -5.547 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.275 10.124 -5.001 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -4.997 9.711 -6.862 1.00 0.00 N ATOM 0 H ARG A 82 -1.198 9.453 -0.732 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.973 9.903 -0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.375 7.389 -1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.113 7.527 -1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.369 9.536 -2.648 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.472 7.913 -3.302 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.063 8.222 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.700 9.929 -2.920 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.385 8.742 -5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.408 10.075 -3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.995 10.541 -5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.145 9.344 -7.286 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.719 10.129 -7.449 1.00 0.00 H new ATOM 1154 N ILE A 83 -2.559 7.885 1.756 1.00 0.00 N ATOM 1155 CA ILE A 83 -2.752 7.240 3.048 1.00 0.00 C ATOM 1156 C ILE A 83 -3.314 8.219 4.073 1.00 0.00 C ATOM 1157 O ILE A 83 -4.180 7.868 4.874 1.00 0.00 O ATOM 1158 CB ILE A 83 -1.435 6.650 3.586 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -0.625 6.031 2.446 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -1.719 5.615 4.664 1.00 0.00 C ATOM 1161 CD1 ILE A 83 -1.453 5.178 1.510 1.00 0.00 C ATOM 0 H ILE A 83 -1.619 7.788 1.372 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.466 6.431 2.893 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.848 7.455 4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.150 6.828 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.174 5.422 2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.778 5.207 5.034 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.259 6.085 5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.323 4.810 4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.813 4.772 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -1.907 4.360 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.236 5.787 1.059 1.00 0.00 H new ATOM 1173 N ARG A 84 -2.815 9.451 4.042 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.267 10.482 4.968 1.00 0.00 C ATOM 1175 C ARG A 84 -4.673 10.954 4.611 1.00 0.00 C ATOM 1176 O ARG A 84 -5.542 11.058 5.477 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.301 11.669 4.954 1.00 0.00 C ATOM 1178 CG ARG A 84 -0.851 11.276 5.188 1.00 0.00 C ATOM 1179 CD ARG A 84 -0.558 11.079 6.667 1.00 0.00 C ATOM 1180 NE ARG A 84 -0.721 12.316 7.426 1.00 0.00 N ATOM 1181 CZ ARG A 84 -0.440 12.426 8.720 1.00 0.00 C ATOM 1182 NH1 ARG A 84 0.016 11.379 9.394 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -0.614 13.585 9.342 1.00 0.00 N ATOM 0 H ARG A 84 -2.098 9.759 3.385 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.289 10.052 5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.380 12.180 3.994 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.604 12.382 5.721 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.631 10.356 4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.194 12.048 4.786 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.224 10.316 7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.460 10.710 6.789 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.069 13.140 6.936 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.152 10.487 8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.231 11.466 10.387 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.964 14.393 8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -0.398 13.668 10.335 1.00 0.00 H new ATOM 1197 N ALA A 85 -4.890 11.238 3.331 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.191 11.697 2.861 1.00 0.00 C ATOM 1199 C ALA A 85 -7.209 10.562 2.867 1.00 0.00 C ATOM 1200 O ALA A 85 -8.415 10.796 2.797 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.068 12.290 1.465 1.00 0.00 C ATOM 0 H ALA A 85 -4.182 11.158 2.601 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.544 12.470 3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.047 12.629 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.380 13.135 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.689 11.532 0.780 1.00 0.00 H new ATOM 1207 N GLY A 86 -6.715 9.330 2.950 1.00 0.00 N ATOM 1208 CA GLY A 86 -7.596 8.177 2.963 1.00 0.00 C ATOM 1209 C GLY A 86 -8.715 8.313 3.976 1.00 0.00 C ATOM 1210 O GLY A 86 -9.793 7.748 3.800 1.00 0.00 O ATOM 0 H GLY A 86 -5.721 9.110 3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.024 8.040 1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.015 7.282 3.186 1.00 0.00 H new ATOM 1214 N GLY A 87 -8.457 9.065 5.043 1.00 0.00 N ATOM 1215 CA GLY A 87 -9.461 9.259 6.073 1.00 0.00 C ATOM 1216 C GLY A 87 -9.139 8.500 7.346 1.00 0.00 C ATOM 1217 O GLY A 87 -7.988 8.153 7.613 1.00 0.00 O ATOM 0 H GLY A 87 -7.572 9.542 5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.545 10.322 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.431 8.935 5.696 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.172 8.233 8.157 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.018 7.509 9.423 1.00 0.00 C ATOM 1223 C PRO A 88 -9.677 6.038 9.211 1.00 0.00 C ATOM 1224 O PRO A 88 -9.099 5.394 10.086 1.00 0.00 O ATOM 1225 CB PRO A 88 -11.393 7.650 10.081 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.337 7.853 8.947 1.00 0.00 C ATOM 1227 CD PRO A 88 -11.571 8.616 7.902 1.00 0.00 C ATOM 0 HA PRO A 88 -9.200 7.907 10.024 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -11.650 6.760 10.655 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.417 8.493 10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.687 6.898 8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.219 8.408 9.268 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.885 8.343 6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -11.718 9.691 8.001 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.039 5.513 8.045 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.770 4.117 7.720 1.00 0.00 C ATOM 1237 C GLN A 89 -8.684 4.005 6.656 1.00 0.00 C ATOM 1238 O GLN A 89 -8.800 4.578 5.572 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.048 3.429 7.236 1.00 0.00 C ATOM 1240 CG GLN A 89 -11.943 2.944 8.364 1.00 0.00 C ATOM 1241 CD GLN A 89 -13.246 2.353 7.863 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -13.376 2.015 6.686 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -14.221 2.226 8.756 1.00 0.00 N ATOM 0 H GLN A 89 -10.519 6.033 7.310 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.419 3.621 8.625 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.610 4.123 6.611 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.778 2.580 6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.410 2.195 8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -12.160 3.776 9.034 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.070 2.519 9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -15.121 1.835 8.477 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.627 3.265 6.972 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.518 3.078 6.043 1.00 0.00 C ATOM 1254 C LEU A 90 -6.731 1.836 5.184 1.00 0.00 C ATOM 1255 O LEU A 90 -7.145 0.788 5.681 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.199 2.962 6.809 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.078 2.199 6.103 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.718 2.679 6.587 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.228 0.701 6.329 1.00 0.00 C ATOM 0 H LEU A 90 -7.515 2.785 7.865 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.475 3.948 5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.842 3.967 7.033 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.398 2.475 7.764 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.150 2.394 5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.933 2.125 6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.610 3.742 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.635 2.514 7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.422 0.174 5.819 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.183 0.488 7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.187 0.367 5.933 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.444 1.959 3.892 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.601 0.846 2.964 1.00 0.00 C ATOM 1273 C HIS A 91 -5.354 0.676 2.102 1.00 0.00 C ATOM 1274 O HIS A 91 -5.030 1.538 1.283 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.824 1.065 2.073 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.373 -0.199 1.486 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.078 -0.625 0.208 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.201 -1.132 2.011 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.703 -1.765 -0.028 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.391 -2.095 1.050 1.00 0.00 N ATOM 0 H HIS A 91 -6.101 2.819 3.464 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.744 -0.063 3.548 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.605 1.554 2.656 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.557 1.745 1.264 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.632 -1.121 3.001 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.659 -2.331 -0.947 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.969 -2.929 1.152 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.656 -0.438 2.292 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.443 -0.721 1.532 1.00 0.00 C ATOM 1291 C LEU A 92 -3.493 -2.120 0.927 1.00 0.00 C ATOM 1292 O LEU A 92 -3.865 -3.084 1.596 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.212 -0.584 2.430 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.213 0.603 3.394 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.296 0.331 4.576 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -1.794 1.876 2.673 1.00 0.00 C ATOM 0 H LEU A 92 -4.909 -1.161 2.966 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.375 0.003 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.108 -1.499 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.330 -0.509 1.794 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.227 0.740 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.309 1.186 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.641 -0.556 5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.280 0.167 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.800 2.710 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.790 1.751 2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.491 2.080 1.860 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.113 -2.224 -0.342 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.111 -3.506 -1.037 1.00 0.00 C ATOM 1310 C VAL A 93 -1.718 -4.126 -1.042 1.00 0.00 C ATOM 1311 O VAL A 93 -0.789 -3.584 -1.642 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.601 -3.359 -2.489 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.922 -4.720 -3.086 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.812 -2.441 -2.552 1.00 0.00 C ATOM 0 H VAL A 93 -2.802 -1.436 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.795 -4.160 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.802 -2.910 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.267 -4.595 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.027 -5.342 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.703 -5.201 -2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.145 -2.348 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.617 -2.859 -1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.543 -1.457 -2.168 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.580 -5.264 -0.371 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.300 -5.959 -0.300 1.00 0.00 C ATOM 1326 C ILE A 94 -0.428 -7.398 -0.788 1.00 0.00 C ATOM 1327 O ILE A 94 -1.471 -8.030 -0.621 1.00 0.00 O ATOM 1328 CB ILE A 94 0.260 -5.962 1.134 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.206 -4.554 1.730 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.685 -6.494 1.146 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.260 -3.623 1.173 1.00 0.00 C ATOM 0 H ILE A 94 -2.339 -5.725 0.132 1.00 0.00 H new ATOM 0 HA ILE A 94 0.389 -5.418 -0.949 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.357 -6.619 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.780 -4.127 1.544 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.326 -4.621 2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.066 -6.490 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.696 -7.513 0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.315 -5.861 0.521 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.163 -2.643 1.640 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.250 -4.028 1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.127 -3.526 0.095 1.00 0.00 H new ATOM 1343 N ARG A 95 0.641 -7.910 -1.389 1.00 0.00 N ATOM 1344 CA ARG A 95 0.649 -9.276 -1.900 1.00 0.00 C ATOM 1345 C ARG A 95 1.906 -10.016 -1.455 1.00 0.00 C ATOM 1346 O ARG A 95 2.970 -9.873 -2.058 1.00 0.00 O ATOM 1347 CB ARG A 95 0.561 -9.271 -3.428 1.00 0.00 C ATOM 1348 CG ARG A 95 0.862 -10.621 -4.059 1.00 0.00 C ATOM 1349 CD ARG A 95 0.888 -10.533 -5.577 1.00 0.00 C ATOM 1350 NE ARG A 95 1.452 -11.735 -6.185 1.00 0.00 N ATOM 1351 CZ ARG A 95 2.750 -12.017 -6.188 1.00 0.00 C ATOM 1352 NH1 ARG A 95 3.613 -11.189 -5.618 1.00 0.00 N ATOM 1353 NH2 ARG A 95 3.186 -13.131 -6.762 1.00 0.00 N ATOM 0 H ARG A 95 1.512 -7.400 -1.534 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.219 -9.795 -1.494 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.439 -8.955 -3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.259 -8.532 -3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 95 1.823 -10.986 -3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.109 -11.345 -3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.125 -10.380 -5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.473 -9.665 -5.880 1.00 0.00 H new ATOM 0 HE ARG A 95 0.814 -12.394 -6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.281 -10.332 -5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 95 4.609 -11.408 -5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.524 -13.771 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.183 -13.347 -6.764 1.00 0.00 H new ATOM 1367 N ARG A 96 1.777 -10.806 -0.394 1.00 0.00 N ATOM 1368 CA ARG A 96 2.902 -11.567 0.134 1.00 0.00 C ATOM 1369 C ARG A 96 3.577 -12.376 -0.970 1.00 0.00 C ATOM 1370 O ARG A 96 2.991 -13.289 -1.551 1.00 0.00 O ATOM 1371 CB ARG A 96 2.435 -12.501 1.252 1.00 0.00 C ATOM 1372 CG ARG A 96 3.504 -12.787 2.293 1.00 0.00 C ATOM 1373 CD ARG A 96 3.487 -11.754 3.409 1.00 0.00 C ATOM 1374 NE ARG A 96 2.467 -12.048 4.412 1.00 0.00 N ATOM 1375 CZ ARG A 96 2.142 -11.216 5.396 1.00 0.00 C ATOM 1376 NH1 ARG A 96 2.755 -10.046 5.508 1.00 0.00 N ATOM 1377 NH2 ARG A 96 1.203 -11.555 6.270 1.00 0.00 N ATOM 0 H ARG A 96 0.904 -10.935 0.117 1.00 0.00 H new ATOM 0 HA ARG A 96 3.627 -10.861 0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.569 -12.059 1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.106 -13.443 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.347 -13.780 2.713 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.484 -12.793 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.466 -11.721 3.887 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.305 -10.766 2.986 1.00 0.00 H new ATOM 0 HE ARG A 96 1.977 -12.941 4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.478 -9.783 4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.504 -9.409 6.264 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.730 -12.455 6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.954 -10.916 7.025 1.00 0.00 H new ATOM 1391 N PRO A 97 4.840 -12.034 -1.267 1.00 0.00 N ATOM 1392 CA PRO A 97 5.622 -12.715 -2.302 1.00 0.00 C ATOM 1393 C PRO A 97 5.998 -14.138 -1.903 1.00 0.00 C ATOM 1394 O PRO A 97 5.527 -14.654 -0.888 1.00 0.00 O ATOM 1395 CB PRO A 97 6.876 -11.847 -2.429 1.00 0.00 C ATOM 1396 CG PRO A 97 7.005 -11.173 -1.107 1.00 0.00 C ATOM 1397 CD PRO A 97 5.601 -10.956 -0.614 1.00 0.00 C ATOM 0 HA PRO A 97 5.063 -12.819 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.755 -12.452 -2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.775 -11.121 -3.236 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.573 -11.788 -0.409 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.536 -10.226 -1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.542 -11.023 0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.224 -9.972 -0.893 1.00 0.00 H new ATOM 1405 N LEU A 98 6.848 -14.768 -2.706 1.00 0.00 N ATOM 1406 CA LEU A 98 7.288 -16.133 -2.436 1.00 0.00 C ATOM 1407 C LEU A 98 8.462 -16.143 -1.462 1.00 0.00 C ATOM 1408 O LEU A 98 8.914 -15.093 -1.007 1.00 0.00 O ATOM 1409 CB LEU A 98 7.683 -16.830 -3.738 1.00 0.00 C ATOM 1410 CG LEU A 98 6.533 -17.224 -4.665 1.00 0.00 C ATOM 1411 CD1 LEU A 98 5.750 -15.994 -5.097 1.00 0.00 C ATOM 1412 CD2 LEU A 98 7.059 -17.977 -5.878 1.00 0.00 C ATOM 0 H LEU A 98 7.247 -14.356 -3.550 1.00 0.00 H new ATOM 0 HA LEU A 98 6.458 -16.673 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.357 -16.174 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.246 -17.729 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 98 5.860 -17.884 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.936 -16.294 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.341 -15.496 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.412 -15.309 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.226 -18.249 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.754 -17.342 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.574 -18.880 -5.550 1.00 0.00 H new ATOM 1424 N SER A 99 8.953 -17.338 -1.149 1.00 0.00 N ATOM 1425 CA SER A 99 10.075 -17.486 -0.229 1.00 0.00 C ATOM 1426 C SER A 99 11.108 -18.461 -0.784 1.00 0.00 C ATOM 1427 O SER A 99 10.805 -19.276 -1.654 1.00 0.00 O ATOM 1428 CB SER A 99 9.582 -17.970 1.136 1.00 0.00 C ATOM 1429 OG SER A 99 10.545 -17.720 2.145 1.00 0.00 O ATOM 0 H SER A 99 8.592 -18.217 -1.519 1.00 0.00 H new ATOM 0 HA SER A 99 10.548 -16.511 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.648 -17.467 1.388 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.367 -19.038 1.091 1.00 0.00 H new ATOM 0 HG SER A 99 10.205 -18.037 3.008 1.00 0.00 H new ATOM 1435 N GLY A 100 12.333 -18.371 -0.273 1.00 0.00 N ATOM 1436 CA GLY A 100 13.394 -19.250 -0.730 1.00 0.00 C ATOM 1437 C GLY A 100 14.767 -18.772 -0.301 1.00 0.00 C ATOM 1438 O GLY A 100 15.222 -19.039 0.811 1.00 0.00 O ATOM 0 H GLY A 100 12.609 -17.705 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.224 -20.254 -0.340 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.360 -19.321 -1.817 1.00 0.00 H new ATOM 1442 N PRO A 101 15.453 -18.048 -1.198 1.00 0.00 N ATOM 1443 CA PRO A 101 16.793 -17.518 -0.930 1.00 0.00 C ATOM 1444 C PRO A 101 16.777 -16.399 0.106 1.00 0.00 C ATOM 1445 O PRO A 101 17.820 -16.016 0.636 1.00 0.00 O ATOM 1446 CB PRO A 101 17.240 -16.980 -2.291 1.00 0.00 C ATOM 1447 CG PRO A 101 15.973 -16.672 -3.012 1.00 0.00 C ATOM 1448 CD PRO A 101 14.972 -17.691 -2.544 1.00 0.00 C ATOM 0 HA PRO A 101 17.457 -18.278 -0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 101 17.859 -16.090 -2.181 1.00 0.00 H new ATOM 0 HB3 PRO A 101 17.834 -17.716 -2.832 1.00 0.00 H new ATOM 0 HG2 PRO A 101 15.633 -15.660 -2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 101 16.114 -16.731 -4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 101 13.963 -17.279 -2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 101 14.943 -18.558 -3.204 1.00 0.00 H new ATOM 1456 N SER A 102 15.587 -15.880 0.391 1.00 0.00 N ATOM 1457 CA SER A 102 15.436 -14.802 1.361 1.00 0.00 C ATOM 1458 C SER A 102 15.537 -15.337 2.787 1.00 0.00 C ATOM 1459 O SER A 102 15.115 -16.457 3.073 1.00 0.00 O ATOM 1460 CB SER A 102 14.094 -14.094 1.164 1.00 0.00 C ATOM 1461 OG SER A 102 14.080 -12.837 1.818 1.00 0.00 O ATOM 0 H SER A 102 14.714 -16.189 -0.036 1.00 0.00 H new ATOM 0 HA SER A 102 16.243 -14.087 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.905 -13.956 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.289 -14.718 1.552 1.00 0.00 H new ATOM 0 HG SER A 102 13.213 -12.404 1.676 1.00 0.00 H new ATOM 1467 N SER A 103 16.101 -14.526 3.677 1.00 0.00 N ATOM 1468 CA SER A 103 16.262 -14.918 5.073 1.00 0.00 C ATOM 1469 C SER A 103 16.041 -13.727 6.000 1.00 0.00 C ATOM 1470 O SER A 103 16.468 -12.611 5.708 1.00 0.00 O ATOM 1471 CB SER A 103 17.655 -15.506 5.302 1.00 0.00 C ATOM 1472 OG SER A 103 17.704 -16.868 4.914 1.00 0.00 O ATOM 0 H SER A 103 16.454 -13.595 3.457 1.00 0.00 H new ATOM 0 HA SER A 103 15.514 -15.677 5.301 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.391 -14.936 4.735 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.923 -15.415 6.355 1.00 0.00 H new ATOM 0 HG SER A 103 16.967 -17.059 4.296 1.00 0.00 H new ATOM 1478 N GLY A 104 15.369 -13.974 7.121 1.00 0.00 N ATOM 1479 CA GLY A 104 15.103 -12.914 8.075 1.00 0.00 C ATOM 1480 C GLY A 104 13.833 -13.153 8.868 1.00 0.00 C ATOM 1481 O GLY A 104 13.868 -13.245 10.095 1.00 0.00 O ATOM 0 H GLY A 104 15.004 -14.889 7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 104 15.945 -12.827 8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 104 15.024 -11.964 7.546 1.00 0.00 H new TER 1485 GLY A 104