USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 556 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 49 THR OG1 : rot 41:sc= 0.0553 USER MOD Set 1.2: A 54 THR OG1 : rot -34:sc= 0.0573! USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.112 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.215 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 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -4.2! X(o=-4.2!,f=-4.1) USER MOD Single : A 10 GLN : amide:sc= -0.816 X(o=-0.82,f=-0.92) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= -0.117 (180deg=-0.322) USER MOD Single : A 18 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.061) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -3.25! C(o=-3.3!,f=-2.6!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.211 K(o=-0.21,f=-0.85) USER MOD Single : A 28 SER OG : rot -160:sc= -1.34 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.77 K(o=-2.8,f=-1.2) USER MOD Single : A 59 SER OG : rot 110:sc= 2.08 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.523 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.247 -20.466 -3.762 1.00 0.00 N ATOM 2 CA GLY A 1 18.385 -19.490 -3.117 1.00 0.00 C ATOM 3 C GLY A 1 19.026 -18.100 -3.127 1.00 0.00 C ATOM 4 O GLY A 1 20.198 -17.956 -3.472 1.00 0.00 O ATOM 0 H1 GLY A 1 18.808 -20.784 -4.649 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.169 -20.032 -3.968 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.382 -21.281 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.423 -19.454 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.188 -19.796 -2.090 1.00 0.00 H new ATOM 8 N SER A 2 18.228 -17.114 -2.746 1.00 0.00 N ATOM 9 CA SER A 2 18.702 -15.741 -2.707 1.00 0.00 C ATOM 10 C SER A 2 17.728 -14.872 -1.909 1.00 0.00 C ATOM 11 O SER A 2 16.701 -14.443 -2.432 1.00 0.00 O ATOM 12 CB SER A 2 18.878 -15.179 -4.120 1.00 0.00 C ATOM 13 OG SER A 2 20.245 -15.170 -4.525 1.00 0.00 O ATOM 0 H SER A 2 17.256 -17.238 -2.462 1.00 0.00 H new ATOM 0 HA SER A 2 19.675 -15.730 -2.216 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.296 -15.775 -4.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.482 -14.164 -4.158 1.00 0.00 H new ATOM 0 HG SER A 2 20.657 -16.032 -4.305 1.00 0.00 H new ATOM 19 N SER A 3 18.084 -14.641 -0.655 1.00 0.00 N ATOM 20 CA SER A 3 17.254 -13.832 0.223 1.00 0.00 C ATOM 21 C SER A 3 15.882 -14.486 0.393 1.00 0.00 C ATOM 22 O SER A 3 14.933 -14.137 -0.307 1.00 0.00 O ATOM 23 CB SER A 3 17.101 -12.411 -0.322 1.00 0.00 C ATOM 24 OG SER A 3 18.323 -11.681 -0.261 1.00 0.00 O ATOM 0 H SER A 3 18.936 -15.000 -0.225 1.00 0.00 H new ATOM 0 HA SER A 3 17.742 -13.769 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.756 -12.454 -1.355 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.335 -11.885 0.248 1.00 0.00 H new ATOM 0 HG SER A 3 18.184 -10.780 -0.620 1.00 0.00 H new ATOM 30 N GLY A 4 15.820 -15.423 1.328 1.00 0.00 N ATOM 31 CA GLY A 4 14.580 -16.128 1.600 1.00 0.00 C ATOM 32 C GLY A 4 13.931 -16.616 0.303 1.00 0.00 C ATOM 33 O GLY A 4 14.590 -17.239 -0.528 1.00 0.00 O ATOM 0 H GLY A 4 16.609 -15.710 1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.776 -16.977 2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.892 -15.470 2.130 1.00 0.00 H new ATOM 37 N SER A 5 12.647 -16.315 0.171 1.00 0.00 N ATOM 38 CA SER A 5 11.903 -16.714 -1.011 1.00 0.00 C ATOM 39 C SER A 5 11.972 -15.614 -2.071 1.00 0.00 C ATOM 40 O SER A 5 12.471 -15.838 -3.172 1.00 0.00 O ATOM 41 CB SER A 5 10.445 -17.027 -0.664 1.00 0.00 C ATOM 42 OG SER A 5 9.847 -17.905 -1.612 1.00 0.00 O ATOM 0 H SER A 5 12.104 -15.800 0.863 1.00 0.00 H new ATOM 0 HA SER A 5 12.357 -17.621 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.397 -17.477 0.327 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.876 -16.099 -0.620 1.00 0.00 H new ATOM 0 HG SER A 5 8.918 -18.081 -1.354 1.00 0.00 H new ATOM 48 N SER A 6 11.463 -14.447 -1.701 1.00 0.00 N ATOM 49 CA SER A 6 11.461 -13.311 -2.607 1.00 0.00 C ATOM 50 C SER A 6 11.843 -12.037 -1.849 1.00 0.00 C ATOM 51 O SER A 6 12.849 -11.402 -2.162 1.00 0.00 O ATOM 52 CB SER A 6 10.095 -13.141 -3.274 1.00 0.00 C ATOM 53 OG SER A 6 9.604 -14.369 -3.804 1.00 0.00 O ATOM 0 H SER A 6 11.050 -14.264 -0.787 1.00 0.00 H new ATOM 0 HA SER A 6 12.197 -13.496 -3.389 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.383 -12.749 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.171 -12.405 -4.075 1.00 0.00 H new ATOM 0 HG SER A 6 8.729 -14.219 -4.220 1.00 0.00 H new ATOM 59 N GLY A 7 11.021 -11.703 -0.865 1.00 0.00 N ATOM 60 CA GLY A 7 11.260 -10.517 -0.061 1.00 0.00 C ATOM 61 C GLY A 7 9.945 -9.822 0.296 1.00 0.00 C ATOM 62 O GLY A 7 8.994 -9.848 -0.483 1.00 0.00 O ATOM 0 H GLY A 7 10.189 -12.233 -0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.789 -10.792 0.851 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.904 -9.827 -0.607 1.00 0.00 H new ATOM 66 N SER A 8 9.932 -9.217 1.475 1.00 0.00 N ATOM 67 CA SER A 8 8.750 -8.515 1.944 1.00 0.00 C ATOM 68 C SER A 8 8.447 -7.329 1.027 1.00 0.00 C ATOM 69 O SER A 8 9.359 -6.722 0.469 1.00 0.00 O ATOM 70 CB SER A 8 8.928 -8.040 3.387 1.00 0.00 C ATOM 71 OG SER A 8 9.011 -9.129 4.302 1.00 0.00 O ATOM 0 H SER A 8 10.722 -9.199 2.120 1.00 0.00 H new ATOM 0 HA SER A 8 7.909 -9.208 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.832 -7.435 3.461 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.092 -7.398 3.663 1.00 0.00 H new ATOM 0 HG SER A 8 9.126 -8.784 5.212 1.00 0.00 H new ATOM 77 N HIS A 9 7.161 -7.032 0.901 1.00 0.00 N ATOM 78 CA HIS A 9 6.727 -5.929 0.062 1.00 0.00 C ATOM 79 C HIS A 9 5.356 -5.437 0.530 1.00 0.00 C ATOM 80 O HIS A 9 5.133 -4.234 0.652 1.00 0.00 O ATOM 81 CB HIS A 9 6.739 -6.331 -1.414 1.00 0.00 C ATOM 82 CG HIS A 9 8.106 -6.705 -1.938 1.00 0.00 C ATOM 83 ND1 HIS A 9 8.403 -7.966 -2.423 1.00 0.00 N ATOM 84 CD2 HIS A 9 9.250 -5.970 -2.047 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.673 -7.978 -2.804 1.00 0.00 C ATOM 86 NE2 HIS A 9 10.196 -6.741 -2.569 1.00 0.00 N ATOM 0 H HIS A 9 6.406 -7.537 1.366 1.00 0.00 H new ATOM 0 HA HIS A 9 7.426 -5.098 0.158 1.00 0.00 H new ATOM 0 HB2 HIS A 9 6.064 -7.175 -1.556 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.347 -5.505 -2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 9 9.366 -4.936 -1.758 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.201 -8.820 -3.227 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.156 -6.455 -2.762 1.00 0.00 H new ATOM 94 N GLN A 10 4.473 -6.394 0.779 1.00 0.00 N ATOM 95 CA GLN A 10 3.130 -6.072 1.232 1.00 0.00 C ATOM 96 C GLN A 10 3.187 -5.114 2.424 1.00 0.00 C ATOM 97 O GLN A 10 3.779 -5.433 3.453 1.00 0.00 O ATOM 98 CB GLN A 10 2.352 -7.341 1.585 1.00 0.00 C ATOM 99 CG GLN A 10 0.864 -7.178 1.272 1.00 0.00 C ATOM 100 CD GLN A 10 0.564 -7.554 -0.180 1.00 0.00 C ATOM 101 OE1 GLN A 10 0.578 -6.729 -1.079 1.00 0.00 O ATOM 102 NE2 GLN A 10 0.293 -8.845 -0.360 1.00 0.00 N ATOM 0 H GLN A 10 4.661 -7.391 0.676 1.00 0.00 H new ATOM 0 HA GLN A 10 2.602 -5.576 0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.754 -8.186 1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.482 -7.569 2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.277 -7.806 1.942 1.00 0.00 H new ATOM 0 HG3 GLN A 10 0.561 -6.147 1.454 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.298 -9.483 0.436 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.080 -9.196 -1.294 1.00 0.00 H new ATOM 111 N LEU A 11 2.560 -3.960 2.245 1.00 0.00 N ATOM 112 CA LEU A 11 2.532 -2.954 3.293 1.00 0.00 C ATOM 113 C LEU A 11 1.105 -2.823 3.829 1.00 0.00 C ATOM 114 O LEU A 11 0.181 -2.521 3.075 1.00 0.00 O ATOM 115 CB LEU A 11 3.123 -1.636 2.786 1.00 0.00 C ATOM 116 CG LEU A 11 4.087 -0.924 3.737 1.00 0.00 C ATOM 117 CD1 LEU A 11 4.618 0.368 3.113 1.00 0.00 C ATOM 118 CD2 LEU A 11 3.432 -0.676 5.098 1.00 0.00 C ATOM 0 H LEU A 11 2.068 -3.700 1.390 1.00 0.00 H new ATOM 0 HA LEU A 11 3.161 -3.257 4.130 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.646 -1.831 1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.302 -0.957 2.557 1.00 0.00 H new ATOM 0 HG LEU A 11 4.944 -1.576 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.301 0.855 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.147 0.135 2.189 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.785 1.036 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.139 -0.169 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.547 -0.054 4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.144 -1.629 5.542 1.00 0.00 H new ATOM 130 N ILE A 12 0.971 -3.055 5.126 1.00 0.00 N ATOM 131 CA ILE A 12 -0.328 -2.967 5.771 1.00 0.00 C ATOM 132 C ILE A 12 -0.531 -1.548 6.308 1.00 0.00 C ATOM 133 O ILE A 12 0.129 -1.141 7.261 1.00 0.00 O ATOM 134 CB ILE A 12 -0.471 -4.053 6.839 1.00 0.00 C ATOM 135 CG1 ILE A 12 -0.501 -5.445 6.204 1.00 0.00 C ATOM 136 CG2 ILE A 12 -1.696 -3.798 7.720 1.00 0.00 C ATOM 137 CD1 ILE A 12 0.785 -6.215 6.509 1.00 0.00 C ATOM 0 H ILE A 12 1.740 -3.304 5.748 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.124 -3.154 5.050 1.00 0.00 H new ATOM 0 HB ILE A 12 0.405 -4.013 7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.360 -6.001 6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.627 -5.354 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.774 -4.584 8.471 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.593 -2.832 8.215 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.594 -3.795 7.102 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.737 -7.201 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.640 -5.668 6.111 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.896 -6.326 7.588 1.00 0.00 H new ATOM 149 N VAL A 13 -1.447 -0.833 5.669 1.00 0.00 N ATOM 150 CA VAL A 13 -1.745 0.530 6.069 1.00 0.00 C ATOM 151 C VAL A 13 -3.259 0.698 6.210 1.00 0.00 C ATOM 152 O VAL A 13 -4.025 0.130 5.433 1.00 0.00 O ATOM 153 CB VAL A 13 -1.125 1.515 5.075 1.00 0.00 C ATOM 154 CG1 VAL A 13 0.352 1.197 4.836 1.00 0.00 C ATOM 155 CG2 VAL A 13 -1.904 1.526 3.758 1.00 0.00 C ATOM 0 H VAL A 13 -1.992 -1.174 4.877 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.302 0.747 7.041 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.186 2.513 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.768 1.912 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.896 1.264 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.447 0.189 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.443 2.234 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.889 0.529 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.935 1.823 3.948 1.00 0.00 H new ATOM 165 N LYS A 14 -3.646 1.477 7.210 1.00 0.00 N ATOM 166 CA LYS A 14 -5.055 1.725 7.462 1.00 0.00 C ATOM 167 C LYS A 14 -5.425 3.115 6.943 1.00 0.00 C ATOM 168 O LYS A 14 -4.647 4.060 7.074 1.00 0.00 O ATOM 169 CB LYS A 14 -5.377 1.517 8.944 1.00 0.00 C ATOM 170 CG LYS A 14 -6.884 1.354 9.159 1.00 0.00 C ATOM 171 CD LYS A 14 -7.290 -0.120 9.107 1.00 0.00 C ATOM 172 CE LYS A 14 -6.978 -0.821 10.432 1.00 0.00 C ATOM 173 NZ LYS A 14 -7.735 -2.088 10.539 1.00 0.00 N ATOM 0 H LYS A 14 -3.008 1.944 7.855 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.671 1.008 6.920 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.856 0.634 9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.013 2.367 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.165 1.778 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.426 1.911 8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.355 -0.200 8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.761 -0.618 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.909 -1.022 10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.233 -0.166 11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.263 -2.718 11.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.702 -1.888 10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.772 -2.550 9.608 1.00 0.00 H new ATOM 187 N ALA A 15 -6.613 3.199 6.363 1.00 0.00 N ATOM 188 CA ALA A 15 -7.096 4.458 5.822 1.00 0.00 C ATOM 189 C ALA A 15 -7.095 5.517 6.928 1.00 0.00 C ATOM 190 O ALA A 15 -6.658 5.250 8.047 1.00 0.00 O ATOM 191 CB ALA A 15 -8.484 4.253 5.213 1.00 0.00 C ATOM 0 H ALA A 15 -7.256 2.415 6.256 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.440 4.811 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.846 5.197 4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.425 3.514 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.171 3.902 5.983 1.00 0.00 H new ATOM 197 N ARG A 16 -7.589 6.695 6.575 1.00 0.00 N ATOM 198 CA ARG A 16 -7.650 7.793 7.524 1.00 0.00 C ATOM 199 C ARG A 16 -9.099 8.245 7.720 1.00 0.00 C ATOM 200 O ARG A 16 -9.577 8.333 8.850 1.00 0.00 O ATOM 201 CB ARG A 16 -6.814 8.981 7.044 1.00 0.00 C ATOM 202 CG ARG A 16 -6.984 10.184 7.976 1.00 0.00 C ATOM 203 CD ARG A 16 -6.375 11.445 7.361 1.00 0.00 C ATOM 204 NE ARG A 16 -5.808 12.304 8.424 1.00 0.00 N ATOM 205 CZ ARG A 16 -4.962 13.318 8.198 1.00 0.00 C ATOM 206 NH1 ARG A 16 -4.580 13.607 6.947 1.00 0.00 N ATOM 207 NH2 ARG A 16 -4.498 14.045 9.224 1.00 0.00 N ATOM 0 H ARG A 16 -7.950 6.912 5.646 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.245 7.436 8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.763 8.696 7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.113 9.255 6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.043 10.347 8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.508 9.976 8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.596 11.172 6.649 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.137 11.993 6.807 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.078 12.112 9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.933 13.055 6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.936 14.379 6.776 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.789 13.826 10.177 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.854 14.817 9.052 1.00 0.00 H new ATOM 221 N PHE A 17 -9.756 8.519 6.603 1.00 0.00 N ATOM 222 CA PHE A 17 -11.140 8.960 6.638 1.00 0.00 C ATOM 223 C PHE A 17 -11.912 8.439 5.424 1.00 0.00 C ATOM 224 O PHE A 17 -11.339 7.787 4.552 1.00 0.00 O ATOM 225 CB PHE A 17 -11.125 10.489 6.600 1.00 0.00 C ATOM 226 CG PHE A 17 -10.865 11.073 5.210 1.00 0.00 C ATOM 227 CD1 PHE A 17 -11.892 11.213 4.328 1.00 0.00 C ATOM 228 CD2 PHE A 17 -9.609 11.454 4.856 1.00 0.00 C ATOM 229 CE1 PHE A 17 -11.652 11.756 3.038 1.00 0.00 C ATOM 230 CE2 PHE A 17 -9.368 11.997 3.565 1.00 0.00 C ATOM 231 CZ PHE A 17 -10.395 12.137 2.685 1.00 0.00 C ATOM 0 H PHE A 17 -9.356 8.444 5.668 1.00 0.00 H new ATOM 0 HA PHE A 17 -11.628 8.581 7.536 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.082 10.861 6.966 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.359 10.852 7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.890 10.911 4.609 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.794 11.344 5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.467 11.866 2.338 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.370 12.298 3.283 1.00 0.00 H new ATOM 0 HZ PHE A 17 -10.212 12.551 1.704 1.00 0.00 H new ATOM 241 N ASN A 18 -13.201 8.745 5.408 1.00 0.00 N ATOM 242 CA ASN A 18 -14.058 8.316 4.315 1.00 0.00 C ATOM 243 C ASN A 18 -13.516 8.876 2.998 1.00 0.00 C ATOM 244 O ASN A 18 -13.727 10.046 2.685 1.00 0.00 O ATOM 245 CB ASN A 18 -15.486 8.834 4.499 1.00 0.00 C ATOM 246 CG ASN A 18 -15.998 8.541 5.910 1.00 0.00 C ATOM 247 OD1 ASN A 18 -16.414 7.440 6.232 1.00 0.00 O ATOM 248 ND2 ASN A 18 -15.946 9.585 6.732 1.00 0.00 N ATOM 0 H ASN A 18 -13.673 9.285 6.134 1.00 0.00 H new ATOM 0 HA ASN A 18 -14.069 7.226 4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -15.514 9.908 4.314 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.143 8.367 3.766 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -16.266 9.491 7.696 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -15.586 10.479 6.398 1.00 0.00 H new ATOM 255 N PHE A 19 -12.831 8.013 2.262 1.00 0.00 N ATOM 256 CA PHE A 19 -12.258 8.407 0.986 1.00 0.00 C ATOM 257 C PHE A 19 -13.093 7.871 -0.178 1.00 0.00 C ATOM 258 O PHE A 19 -13.670 6.788 -0.086 1.00 0.00 O ATOM 259 CB PHE A 19 -10.857 7.797 0.916 1.00 0.00 C ATOM 260 CG PHE A 19 -10.129 8.058 -0.403 1.00 0.00 C ATOM 261 CD1 PHE A 19 -9.404 9.198 -0.565 1.00 0.00 C ATOM 262 CD2 PHE A 19 -10.207 7.152 -1.413 1.00 0.00 C ATOM 263 CE1 PHE A 19 -8.728 9.440 -1.790 1.00 0.00 C ATOM 264 CE2 PHE A 19 -9.531 7.395 -2.639 1.00 0.00 C ATOM 265 CZ PHE A 19 -8.806 8.534 -2.801 1.00 0.00 C ATOM 0 H PHE A 19 -12.660 7.042 2.525 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.232 9.494 0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.258 8.195 1.735 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.933 6.721 1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.343 9.918 0.237 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -10.783 6.247 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.152 10.344 -1.919 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.593 6.675 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.292 8.719 -3.733 1.00 0.00 H new ATOM 275 N LYS A 20 -13.131 8.654 -1.247 1.00 0.00 N ATOM 276 CA LYS A 20 -13.886 8.272 -2.428 1.00 0.00 C ATOM 277 C LYS A 20 -12.923 8.068 -3.600 1.00 0.00 C ATOM 278 O LYS A 20 -12.049 8.900 -3.840 1.00 0.00 O ATOM 279 CB LYS A 20 -14.992 9.291 -2.710 1.00 0.00 C ATOM 280 CG LYS A 20 -15.717 8.966 -4.018 1.00 0.00 C ATOM 281 CD LYS A 20 -15.406 10.010 -5.091 1.00 0.00 C ATOM 282 CE LYS A 20 -16.673 10.406 -5.854 1.00 0.00 C ATOM 283 NZ LYS A 20 -16.329 10.919 -7.199 1.00 0.00 N ATOM 0 H LYS A 20 -12.651 9.551 -1.319 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.395 7.322 -2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.706 9.296 -1.886 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.564 10.292 -2.766 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.417 7.979 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.792 8.929 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.965 10.893 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.667 9.613 -5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.334 9.544 -5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.218 11.168 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.200 11.183 -7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.716 11.754 -7.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.829 10.181 -7.735 1.00 0.00 H new ATOM 297 N GLN A 21 -13.117 6.960 -4.298 1.00 0.00 N ATOM 298 CA GLN A 21 -12.276 6.637 -5.438 1.00 0.00 C ATOM 299 C GLN A 21 -12.713 7.443 -6.664 1.00 0.00 C ATOM 300 O GLN A 21 -13.897 7.729 -6.835 1.00 0.00 O ATOM 301 CB GLN A 21 -12.304 5.136 -5.732 1.00 0.00 C ATOM 302 CG GLN A 21 -13.695 4.691 -6.189 1.00 0.00 C ATOM 303 CD GLN A 21 -13.811 3.166 -6.187 1.00 0.00 C ATOM 304 OE1 GLN A 21 -14.780 2.591 -5.721 1.00 0.00 O ATOM 305 NE2 GLN A 21 -12.769 2.543 -6.734 1.00 0.00 N ATOM 0 H GLN A 21 -13.844 6.274 -4.097 1.00 0.00 H new ATOM 0 HA GLN A 21 -11.248 6.908 -5.195 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.571 4.899 -6.503 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.016 4.582 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.452 5.118 -5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.892 5.073 -7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -11.989 3.085 -7.106 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.751 1.524 -6.781 1.00 0.00 H new ATOM 314 N THR A 22 -11.732 7.788 -7.486 1.00 0.00 N ATOM 315 CA THR A 22 -11.999 8.556 -8.689 1.00 0.00 C ATOM 316 C THR A 22 -12.506 7.639 -9.805 1.00 0.00 C ATOM 317 O THR A 22 -13.180 8.092 -10.728 1.00 0.00 O ATOM 318 CB THR A 22 -10.723 9.315 -9.060 1.00 0.00 C ATOM 319 OG1 THR A 22 -11.093 10.078 -10.204 1.00 0.00 O ATOM 320 CG2 THR A 22 -9.618 8.388 -9.570 1.00 0.00 C ATOM 0 H THR A 22 -10.751 7.549 -7.342 1.00 0.00 H new ATOM 0 HA THR A 22 -12.792 9.286 -8.524 1.00 0.00 H new ATOM 0 HB THR A 22 -10.362 9.865 -8.191 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.324 10.602 -10.510 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.735 8.977 -9.819 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.365 7.664 -8.796 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.966 7.862 -10.459 1.00 0.00 H new ATOM 328 N ASN A 23 -12.161 6.365 -9.683 1.00 0.00 N ATOM 329 CA ASN A 23 -12.572 5.381 -10.669 1.00 0.00 C ATOM 330 C ASN A 23 -12.536 3.987 -10.038 1.00 0.00 C ATOM 331 O ASN A 23 -12.120 3.832 -8.891 1.00 0.00 O ATOM 332 CB ASN A 23 -11.628 5.379 -11.873 1.00 0.00 C ATOM 333 CG ASN A 23 -12.152 6.294 -12.982 1.00 0.00 C ATOM 334 OD1 ASN A 23 -11.923 7.492 -12.994 1.00 0.00 O ATOM 335 ND2 ASN A 23 -12.867 5.664 -13.910 1.00 0.00 N ATOM 0 H ASN A 23 -11.601 5.992 -8.916 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.578 5.637 -11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.636 5.709 -11.563 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.521 4.363 -12.254 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.261 6.187 -14.692 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.021 4.658 -13.840 1.00 0.00 H new ATOM 342 N GLU A 24 -12.978 3.009 -10.815 1.00 0.00 N ATOM 343 CA GLU A 24 -13.002 1.634 -10.347 1.00 0.00 C ATOM 344 C GLU A 24 -11.581 1.066 -10.297 1.00 0.00 C ATOM 345 O GLU A 24 -11.358 -0.008 -9.740 1.00 0.00 O ATOM 346 CB GLU A 24 -13.906 0.770 -11.228 1.00 0.00 C ATOM 347 CG GLU A 24 -13.395 0.735 -12.670 1.00 0.00 C ATOM 348 CD GLU A 24 -12.688 -0.588 -12.969 1.00 0.00 C ATOM 349 OE1 GLU A 24 -11.699 -0.876 -12.262 1.00 0.00 O ATOM 350 OE2 GLU A 24 -13.153 -1.282 -13.899 1.00 0.00 O ATOM 0 H GLU A 24 -13.322 3.142 -11.766 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.414 1.621 -9.338 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.948 -0.243 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.922 1.163 -11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.229 0.869 -13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.708 1.564 -12.836 1.00 0.00 H new ATOM 357 N ASP A 25 -10.658 1.813 -10.883 1.00 0.00 N ATOM 358 CA ASP A 25 -9.266 1.398 -10.913 1.00 0.00 C ATOM 359 C ASP A 25 -8.513 2.078 -9.768 1.00 0.00 C ATOM 360 O ASP A 25 -7.285 2.031 -9.715 1.00 0.00 O ATOM 361 CB ASP A 25 -8.597 1.805 -12.227 1.00 0.00 C ATOM 362 CG ASP A 25 -8.205 0.642 -13.141 1.00 0.00 C ATOM 363 OD1 ASP A 25 -8.122 -0.489 -12.615 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.000 0.910 -14.344 1.00 0.00 O ATOM 0 H ASP A 25 -10.847 2.704 -11.341 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.235 0.313 -10.815 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.273 2.464 -12.772 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.703 2.384 -11.998 1.00 0.00 H new ATOM 369 N GLU A 26 -9.279 2.693 -8.879 1.00 0.00 N ATOM 370 CA GLU A 26 -8.698 3.381 -7.740 1.00 0.00 C ATOM 371 C GLU A 26 -9.130 2.706 -6.436 1.00 0.00 C ATOM 372 O GLU A 26 -10.214 2.129 -6.362 1.00 0.00 O ATOM 373 CB GLU A 26 -9.080 4.863 -7.741 1.00 0.00 C ATOM 374 CG GLU A 26 -8.694 5.530 -6.419 1.00 0.00 C ATOM 375 CD GLU A 26 -8.601 7.049 -6.577 1.00 0.00 C ATOM 376 OE1 GLU A 26 -7.850 7.480 -7.477 1.00 0.00 O ATOM 377 OE2 GLU A 26 -9.284 7.743 -5.794 1.00 0.00 O ATOM 0 H GLU A 26 -10.297 2.729 -8.925 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.613 3.319 -7.818 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.582 5.370 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.153 4.966 -7.905 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.432 5.285 -5.655 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.737 5.137 -6.075 1.00 0.00 H new ATOM 384 N LEU A 27 -8.260 2.800 -5.442 1.00 0.00 N ATOM 385 CA LEU A 27 -8.537 2.205 -4.146 1.00 0.00 C ATOM 386 C LEU A 27 -9.519 3.095 -3.380 1.00 0.00 C ATOM 387 O LEU A 27 -9.212 4.248 -3.080 1.00 0.00 O ATOM 388 CB LEU A 27 -7.234 1.935 -3.389 1.00 0.00 C ATOM 389 CG LEU A 27 -7.173 0.622 -2.607 1.00 0.00 C ATOM 390 CD1 LEU A 27 -8.366 0.492 -1.658 1.00 0.00 C ATOM 391 CD2 LEU A 27 -7.061 -0.576 -3.554 1.00 0.00 C ATOM 0 H LEU A 27 -7.362 3.280 -5.508 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.015 1.233 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.412 1.947 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.064 2.757 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.273 0.633 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.298 -0.450 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.360 1.321 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.292 0.513 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.019 -1.497 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.929 -0.602 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.155 -0.483 -4.152 1.00 0.00 H new ATOM 403 N SER A 28 -10.679 2.526 -3.086 1.00 0.00 N ATOM 404 CA SER A 28 -11.707 3.253 -2.363 1.00 0.00 C ATOM 405 C SER A 28 -11.792 2.746 -0.922 1.00 0.00 C ATOM 406 O SER A 28 -12.209 1.614 -0.682 1.00 0.00 O ATOM 407 CB SER A 28 -13.066 3.120 -3.052 1.00 0.00 C ATOM 408 OG SER A 28 -13.657 4.389 -3.318 1.00 0.00 O ATOM 0 H SER A 28 -10.929 1.569 -3.336 1.00 0.00 H new ATOM 0 HA SER A 28 -11.436 4.309 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.946 2.573 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.735 2.533 -2.423 1.00 0.00 H new ATOM 0 HG SER A 28 -14.621 4.279 -3.455 1.00 0.00 H new ATOM 414 N VAL A 29 -11.387 3.608 0.001 1.00 0.00 N ATOM 415 CA VAL A 29 -11.411 3.260 1.411 1.00 0.00 C ATOM 416 C VAL A 29 -12.352 4.213 2.150 1.00 0.00 C ATOM 417 O VAL A 29 -12.522 5.362 1.745 1.00 0.00 O ATOM 418 CB VAL A 29 -9.989 3.265 1.976 1.00 0.00 C ATOM 419 CG1 VAL A 29 -9.323 1.900 1.798 1.00 0.00 C ATOM 420 CG2 VAL A 29 -9.150 4.373 1.337 1.00 0.00 C ATOM 0 H VAL A 29 -11.041 4.546 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.797 2.250 1.549 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.054 3.468 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.314 1.931 2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.904 1.141 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.276 1.654 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.144 4.355 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.098 4.214 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.610 5.340 1.539 1.00 0.00 H new ATOM 430 N CYS A 30 -12.940 3.701 3.222 1.00 0.00 N ATOM 431 CA CYS A 30 -13.859 4.492 4.021 1.00 0.00 C ATOM 432 C CYS A 30 -13.213 4.748 5.385 1.00 0.00 C ATOM 433 O CYS A 30 -12.678 5.828 5.630 1.00 0.00 O ATOM 434 CB CYS A 30 -15.223 3.812 4.154 1.00 0.00 C ATOM 435 SG CYS A 30 -16.253 4.183 2.688 1.00 0.00 S ATOM 0 H CYS A 30 -12.797 2.748 3.555 1.00 0.00 H new ATOM 0 HA CYS A 30 -14.048 5.444 3.525 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -15.093 2.734 4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -15.724 4.158 5.058 1.00 0.00 H new ATOM 0 HG CYS A 30 -17.408 3.599 2.810 1.00 0.00 H new ATOM 441 N LYS A 31 -13.284 3.735 6.237 1.00 0.00 N ATOM 442 CA LYS A 31 -12.713 3.836 7.569 1.00 0.00 C ATOM 443 C LYS A 31 -12.395 2.433 8.091 1.00 0.00 C ATOM 444 O LYS A 31 -13.183 1.506 7.908 1.00 0.00 O ATOM 445 CB LYS A 31 -13.636 4.638 8.488 1.00 0.00 C ATOM 446 CG LYS A 31 -12.829 5.559 9.406 1.00 0.00 C ATOM 447 CD LYS A 31 -13.364 6.992 9.354 1.00 0.00 C ATOM 448 CE LYS A 31 -14.651 7.126 10.168 1.00 0.00 C ATOM 449 NZ LYS A 31 -14.341 7.253 11.610 1.00 0.00 N ATOM 0 H LYS A 31 -13.728 2.840 6.030 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.773 4.387 7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.327 5.231 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.239 3.957 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.873 5.187 10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.781 5.547 9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.612 7.679 9.741 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.553 7.276 8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.212 7.998 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.286 6.256 10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.226 7.343 12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -13.825 6.408 11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.753 8.097 11.766 1.00 0.00 H new ATOM 463 N GLY A 32 -11.239 2.321 8.727 1.00 0.00 N ATOM 464 CA GLY A 32 -10.807 1.047 9.277 1.00 0.00 C ATOM 465 C GLY A 32 -10.784 -0.036 8.197 1.00 0.00 C ATOM 466 O GLY A 32 -11.523 -1.016 8.279 1.00 0.00 O ATOM 0 H GLY A 32 -10.587 3.092 8.874 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.813 1.153 9.712 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.478 0.748 10.083 1.00 0.00 H new ATOM 470 N ASP A 33 -9.928 0.177 7.208 1.00 0.00 N ATOM 471 CA ASP A 33 -9.799 -0.768 6.112 1.00 0.00 C ATOM 472 C ASP A 33 -8.324 -0.903 5.731 1.00 0.00 C ATOM 473 O ASP A 33 -7.821 -0.142 4.905 1.00 0.00 O ATOM 474 CB ASP A 33 -10.564 -0.289 4.878 1.00 0.00 C ATOM 475 CG ASP A 33 -11.795 0.571 5.173 1.00 0.00 C ATOM 476 OD1 ASP A 33 -12.871 -0.030 5.381 1.00 0.00 O ATOM 477 OD2 ASP A 33 -11.632 1.810 5.186 1.00 0.00 O ATOM 0 H ASP A 33 -9.317 0.991 7.143 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.208 -1.723 6.441 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.884 0.282 4.246 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.878 -1.160 4.303 1.00 0.00 H new ATOM 482 N ILE A 34 -7.671 -1.875 6.352 1.00 0.00 N ATOM 483 CA ILE A 34 -6.263 -2.118 6.087 1.00 0.00 C ATOM 484 C ILE A 34 -6.070 -2.404 4.596 1.00 0.00 C ATOM 485 O ILE A 34 -6.826 -3.172 4.005 1.00 0.00 O ATOM 486 CB ILE A 34 -5.731 -3.226 6.999 1.00 0.00 C ATOM 487 CG1 ILE A 34 -5.037 -2.637 8.229 1.00 0.00 C ATOM 488 CG2 ILE A 34 -4.817 -4.179 6.227 1.00 0.00 C ATOM 489 CD1 ILE A 34 -4.017 -1.569 7.825 1.00 0.00 C ATOM 0 H ILE A 34 -8.091 -2.503 7.037 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.673 -1.232 6.321 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.578 -3.811 7.356 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.780 -2.201 8.896 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.537 -3.431 8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.452 -4.957 6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.375 -4.637 5.410 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.971 -3.624 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.538 -1.167 8.718 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.262 -2.014 7.177 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.524 -0.765 7.292 1.00 0.00 H new ATOM 501 N ILE A 35 -5.053 -1.769 4.032 1.00 0.00 N ATOM 502 CA ILE A 35 -4.752 -1.945 2.622 1.00 0.00 C ATOM 503 C ILE A 35 -3.337 -2.508 2.474 1.00 0.00 C ATOM 504 O ILE A 35 -2.462 -2.221 3.290 1.00 0.00 O ATOM 505 CB ILE A 35 -4.975 -0.638 1.859 1.00 0.00 C ATOM 506 CG1 ILE A 35 -6.285 0.030 2.286 1.00 0.00 C ATOM 507 CG2 ILE A 35 -4.916 -0.869 0.347 1.00 0.00 C ATOM 508 CD1 ILE A 35 -6.033 1.445 2.810 1.00 0.00 C ATOM 0 H ILE A 35 -4.428 -1.132 4.526 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.433 -2.669 2.175 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.166 0.048 2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.971 0.068 1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.767 -0.568 3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.078 0.076 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.938 -1.268 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.690 -1.579 0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.979 1.897 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.366 1.401 3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.573 2.047 2.026 1.00 0.00 H new ATOM 520 N TYR A 36 -3.156 -3.301 1.428 1.00 0.00 N ATOM 521 CA TYR A 36 -1.862 -3.906 1.163 1.00 0.00 C ATOM 522 C TYR A 36 -1.159 -3.210 -0.004 1.00 0.00 C ATOM 523 O TYR A 36 -1.589 -3.325 -1.151 1.00 0.00 O ATOM 524 CB TYR A 36 -2.148 -5.359 0.776 1.00 0.00 C ATOM 525 CG TYR A 36 -2.836 -6.171 1.875 1.00 0.00 C ATOM 526 CD1 TYR A 36 -2.271 -6.250 3.131 1.00 0.00 C ATOM 527 CD2 TYR A 36 -4.023 -6.824 1.609 1.00 0.00 C ATOM 528 CE1 TYR A 36 -2.919 -7.015 4.165 1.00 0.00 C ATOM 529 CE2 TYR A 36 -4.671 -7.589 2.643 1.00 0.00 C ATOM 530 CZ TYR A 36 -4.087 -7.647 3.870 1.00 0.00 C ATOM 531 OH TYR A 36 -4.699 -8.368 4.847 1.00 0.00 O ATOM 0 H TYR A 36 -3.884 -3.538 0.754 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.214 -3.824 2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.774 -5.370 -0.116 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.209 -5.846 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.343 -5.738 3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.465 -6.761 0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.487 -7.085 5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.600 -8.105 2.448 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.524 -8.763 4.494 1.00 0.00 H new ATOM 541 N VAL A 37 -0.089 -2.503 0.329 1.00 0.00 N ATOM 542 CA VAL A 37 0.678 -1.788 -0.677 1.00 0.00 C ATOM 543 C VAL A 37 1.653 -2.756 -1.353 1.00 0.00 C ATOM 544 O VAL A 37 2.532 -3.313 -0.699 1.00 0.00 O ATOM 545 CB VAL A 37 1.376 -0.582 -0.044 1.00 0.00 C ATOM 546 CG1 VAL A 37 1.959 0.339 -1.117 1.00 0.00 C ATOM 547 CG2 VAL A 37 0.421 0.183 0.874 1.00 0.00 C ATOM 0 H VAL A 37 0.265 -2.410 1.281 1.00 0.00 H new ATOM 0 HA VAL A 37 0.019 -1.396 -1.452 1.00 0.00 H new ATOM 0 HB VAL A 37 2.201 -0.953 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.449 1.188 -0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.686 -0.212 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.158 0.698 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.941 1.035 1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.433 0.537 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.074 -0.477 1.669 1.00 0.00 H new ATOM 557 N THR A 38 1.463 -2.925 -2.653 1.00 0.00 N ATOM 558 CA THR A 38 2.313 -3.815 -3.424 1.00 0.00 C ATOM 559 C THR A 38 3.259 -3.008 -4.316 1.00 0.00 C ATOM 560 O THR A 38 4.448 -3.312 -4.401 1.00 0.00 O ATOM 561 CB THR A 38 1.411 -4.773 -4.205 1.00 0.00 C ATOM 562 OG1 THR A 38 2.274 -5.338 -5.189 1.00 0.00 O ATOM 563 CG2 THR A 38 0.345 -4.040 -5.020 1.00 0.00 C ATOM 0 H THR A 38 0.732 -2.460 -3.192 1.00 0.00 H new ATOM 0 HA THR A 38 2.956 -4.409 -2.774 1.00 0.00 H new ATOM 0 HB THR A 38 0.927 -5.462 -3.512 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.770 -5.973 -5.740 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.267 -4.766 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.286 -3.455 -4.351 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.828 -3.375 -5.736 1.00 0.00 H new ATOM 571 N ARG A 39 2.696 -1.997 -4.960 1.00 0.00 N ATOM 572 CA ARG A 39 3.474 -1.144 -5.843 1.00 0.00 C ATOM 573 C ARG A 39 4.467 -0.307 -5.033 1.00 0.00 C ATOM 574 O ARG A 39 5.675 -0.531 -5.104 1.00 0.00 O ATOM 575 CB ARG A 39 2.567 -0.210 -6.646 1.00 0.00 C ATOM 576 CG ARG A 39 3.301 0.350 -7.867 1.00 0.00 C ATOM 577 CD ARG A 39 3.430 -0.711 -8.963 1.00 0.00 C ATOM 578 NE ARG A 39 4.837 -1.156 -9.070 1.00 0.00 N ATOM 579 CZ ARG A 39 5.271 -2.062 -9.958 1.00 0.00 C ATOM 580 NH1 ARG A 39 4.412 -2.622 -10.820 1.00 0.00 N ATOM 581 NH2 ARG A 39 6.566 -2.406 -9.984 1.00 0.00 N ATOM 0 H ARG A 39 1.709 -1.749 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 39 4.016 -1.789 -6.535 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.677 -0.750 -6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.230 0.610 -6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.763 1.215 -8.255 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.292 0.697 -7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.787 -1.561 -8.736 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.095 -0.304 -9.917 1.00 0.00 H new ATOM 0 HE ARG A 39 5.518 -0.749 -8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.427 -2.359 -10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.743 -3.311 -11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.220 -1.979 -9.329 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.897 -3.095 -10.659 1.00 0.00 H new ATOM 595 N VAL A 40 3.921 0.637 -4.282 1.00 0.00 N ATOM 596 CA VAL A 40 4.744 1.508 -3.459 1.00 0.00 C ATOM 597 C VAL A 40 5.493 2.495 -4.359 1.00 0.00 C ATOM 598 O VAL A 40 6.691 2.344 -4.589 1.00 0.00 O ATOM 599 CB VAL A 40 5.679 0.672 -2.584 1.00 0.00 C ATOM 600 CG1 VAL A 40 6.453 1.558 -1.606 1.00 0.00 C ATOM 601 CG2 VAL A 40 4.904 -0.418 -1.840 1.00 0.00 C ATOM 0 H VAL A 40 2.919 0.819 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 40 4.121 2.092 -2.781 1.00 0.00 H new ATOM 0 HB VAL A 40 6.402 0.183 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.110 0.939 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.049 2.280 -2.163 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.751 2.087 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.592 -0.998 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.149 0.043 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.419 -1.076 -2.561 1.00 0.00 H new ATOM 611 N GLU A 41 4.754 3.482 -4.843 1.00 0.00 N ATOM 612 CA GLU A 41 5.332 4.493 -5.713 1.00 0.00 C ATOM 613 C GLU A 41 5.542 5.798 -4.942 1.00 0.00 C ATOM 614 O GLU A 41 4.586 6.386 -4.439 1.00 0.00 O ATOM 615 CB GLU A 41 4.458 4.719 -6.948 1.00 0.00 C ATOM 616 CG GLU A 41 4.369 3.449 -7.796 1.00 0.00 C ATOM 617 CD GLU A 41 4.315 3.789 -9.288 1.00 0.00 C ATOM 618 OE1 GLU A 41 3.694 4.825 -9.611 1.00 0.00 O ATOM 619 OE2 GLU A 41 4.895 3.006 -10.069 1.00 0.00 O ATOM 0 H GLU A 41 3.760 3.604 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 41 6.303 4.137 -6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.458 5.025 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.870 5.532 -7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.231 2.812 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.481 2.882 -7.516 1.00 0.00 H new ATOM 626 N GLU A 42 6.798 6.212 -4.874 1.00 0.00 N ATOM 627 CA GLU A 42 7.146 7.437 -4.174 1.00 0.00 C ATOM 628 C GLU A 42 6.778 8.656 -5.023 1.00 0.00 C ATOM 629 O GLU A 42 6.991 9.793 -4.607 1.00 0.00 O ATOM 630 CB GLU A 42 8.630 7.455 -3.804 1.00 0.00 C ATOM 631 CG GLU A 42 8.962 6.339 -2.812 1.00 0.00 C ATOM 632 CD GLU A 42 8.977 6.868 -1.377 1.00 0.00 C ATOM 633 OE1 GLU A 42 9.636 7.909 -1.163 1.00 0.00 O ATOM 634 OE2 GLU A 42 8.329 6.222 -0.526 1.00 0.00 O ATOM 0 H GLU A 42 7.588 5.721 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 42 6.574 7.477 -3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.234 7.338 -4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.888 8.421 -3.370 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.228 5.538 -2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.934 5.909 -3.055 1.00 0.00 H new ATOM 641 N GLY A 43 6.229 8.377 -6.197 1.00 0.00 N ATOM 642 CA GLY A 43 5.829 9.436 -7.107 1.00 0.00 C ATOM 643 C GLY A 43 4.793 10.355 -6.456 1.00 0.00 C ATOM 644 O GLY A 43 4.917 11.578 -6.517 1.00 0.00 O ATOM 0 H GLY A 43 6.052 7.432 -6.538 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.703 10.018 -7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.415 9.002 -8.017 1.00 0.00 H new ATOM 648 N GLY A 44 3.795 9.732 -5.847 1.00 0.00 N ATOM 649 CA GLY A 44 2.739 10.478 -5.185 1.00 0.00 C ATOM 650 C GLY A 44 1.570 9.564 -4.812 1.00 0.00 C ATOM 651 O GLY A 44 0.958 9.730 -3.759 1.00 0.00 O ATOM 0 H GLY A 44 3.696 8.718 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.133 10.954 -4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.387 11.275 -5.840 1.00 0.00 H new ATOM 655 N TRP A 45 1.298 8.615 -5.697 1.00 0.00 N ATOM 656 CA TRP A 45 0.214 7.674 -5.474 1.00 0.00 C ATOM 657 C TRP A 45 0.822 6.367 -4.959 1.00 0.00 C ATOM 658 O TRP A 45 2.025 6.144 -5.089 1.00 0.00 O ATOM 659 CB TRP A 45 -0.618 7.486 -6.744 1.00 0.00 C ATOM 660 CG TRP A 45 -1.482 8.695 -7.107 1.00 0.00 C ATOM 661 CD1 TRP A 45 -1.080 9.886 -7.568 1.00 0.00 C ATOM 662 CD2 TRP A 45 -2.920 8.782 -7.019 1.00 0.00 C ATOM 663 NE1 TRP A 45 -2.150 10.733 -7.784 1.00 0.00 N ATOM 664 CE2 TRP A 45 -3.304 10.039 -7.439 1.00 0.00 C ATOM 665 CE3 TRP A 45 -3.865 7.829 -6.599 1.00 0.00 C ATOM 666 CZ2 TRP A 45 -4.638 10.459 -7.480 1.00 0.00 C ATOM 667 CZ3 TRP A 45 -5.195 8.265 -6.645 1.00 0.00 C ATOM 668 CH2 TRP A 45 -5.598 9.527 -7.065 1.00 0.00 C ATOM 0 H TRP A 45 1.809 8.478 -6.569 1.00 0.00 H new ATOM 0 HA TRP A 45 -0.480 8.055 -4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.052 7.268 -7.576 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -1.263 6.616 -6.618 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -0.049 10.151 -7.748 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -2.102 11.691 -8.132 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -3.587 6.839 -6.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.913 11.449 -7.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.962 7.572 -6.332 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -6.646 9.788 -7.071 1.00 0.00 H new ATOM 679 N TRP A 46 -0.037 5.539 -4.384 1.00 0.00 N ATOM 680 CA TRP A 46 0.401 4.261 -3.848 1.00 0.00 C ATOM 681 C TRP A 46 -0.614 3.197 -4.274 1.00 0.00 C ATOM 682 O TRP A 46 -1.810 3.340 -4.022 1.00 0.00 O ATOM 683 CB TRP A 46 0.587 4.336 -2.332 1.00 0.00 C ATOM 684 CG TRP A 46 2.047 4.266 -1.879 1.00 0.00 C ATOM 685 CD1 TRP A 46 3.140 4.638 -2.559 1.00 0.00 C ATOM 686 CD2 TRP A 46 2.531 3.775 -0.612 1.00 0.00 C ATOM 687 NE1 TRP A 46 4.289 4.425 -1.825 1.00 0.00 N ATOM 688 CE2 TRP A 46 3.907 3.883 -0.604 1.00 0.00 C ATOM 689 CE3 TRP A 46 1.831 3.258 0.491 1.00 0.00 C ATOM 690 CZ2 TRP A 46 4.700 3.493 0.482 1.00 0.00 C ATOM 691 CZ3 TRP A 46 2.637 2.873 1.569 1.00 0.00 C ATOM 692 CH2 TRP A 46 4.023 2.975 1.593 1.00 0.00 C ATOM 0 H TRP A 46 -1.034 5.728 -4.277 1.00 0.00 H new ATOM 0 HA TRP A 46 1.378 3.990 -4.247 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.149 5.265 -1.968 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.034 3.520 -1.868 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.124 5.052 -3.556 1.00 0.00 H new ATOM 0 HE1 TRP A 46 5.243 4.628 -2.124 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.755 3.165 0.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.776 3.587 0.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.148 2.469 2.443 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.575 2.656 2.465 1.00 0.00 H new ATOM 703 N GLU A 47 -0.100 2.156 -4.911 1.00 0.00 N ATOM 704 CA GLU A 47 -0.948 1.070 -5.373 1.00 0.00 C ATOM 705 C GLU A 47 -0.894 -0.101 -4.389 1.00 0.00 C ATOM 706 O GLU A 47 0.177 -0.641 -4.119 1.00 0.00 O ATOM 707 CB GLU A 47 -0.545 0.622 -6.780 1.00 0.00 C ATOM 708 CG GLU A 47 -0.750 -0.885 -6.955 1.00 0.00 C ATOM 709 CD GLU A 47 -0.377 -1.328 -8.371 1.00 0.00 C ATOM 710 OE1 GLU A 47 -1.033 -0.831 -9.312 1.00 0.00 O ATOM 711 OE2 GLU A 47 0.556 -2.153 -8.481 1.00 0.00 O ATOM 0 H GLU A 47 0.892 2.041 -5.118 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.975 1.432 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.136 1.161 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.500 0.874 -6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.142 -1.425 -6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.790 -1.140 -6.752 1.00 0.00 H new ATOM 718 N GLY A 48 -2.064 -0.458 -3.880 1.00 0.00 N ATOM 719 CA GLY A 48 -2.164 -1.555 -2.932 1.00 0.00 C ATOM 720 C GLY A 48 -3.386 -2.426 -3.228 1.00 0.00 C ATOM 721 O GLY A 48 -3.909 -2.411 -4.341 1.00 0.00 O ATOM 0 H GLY A 48 -2.951 -0.007 -4.106 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.260 -2.163 -2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.232 -1.159 -1.919 1.00 0.00 H new ATOM 725 N THR A 49 -3.807 -3.164 -2.211 1.00 0.00 N ATOM 726 CA THR A 49 -4.958 -4.040 -2.349 1.00 0.00 C ATOM 727 C THR A 49 -5.803 -4.015 -1.073 1.00 0.00 C ATOM 728 O THR A 49 -5.282 -4.213 0.024 1.00 0.00 O ATOM 729 CB THR A 49 -4.450 -5.436 -2.713 1.00 0.00 C ATOM 730 OG1 THR A 49 -4.468 -5.451 -4.138 1.00 0.00 O ATOM 731 CG2 THR A 49 -5.432 -6.540 -2.317 1.00 0.00 C ATOM 0 H THR A 49 -3.372 -3.173 -1.289 1.00 0.00 H new ATOM 0 HA THR A 49 -5.619 -3.701 -3.147 1.00 0.00 H new ATOM 0 HB THR A 49 -3.492 -5.611 -2.224 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.151 -4.588 -4.478 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.022 -7.510 -2.598 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.594 -6.513 -1.239 1.00 0.00 H new ATOM 0 HG23 THR A 49 -6.381 -6.385 -2.831 1.00 0.00 H new ATOM 739 N LEU A 50 -7.091 -3.770 -1.258 1.00 0.00 N ATOM 740 CA LEU A 50 -8.013 -3.717 -0.136 1.00 0.00 C ATOM 741 C LEU A 50 -8.924 -4.946 -0.171 1.00 0.00 C ATOM 742 O LEU A 50 -8.960 -5.668 -1.166 1.00 0.00 O ATOM 743 CB LEU A 50 -8.772 -2.389 -0.128 1.00 0.00 C ATOM 744 CG LEU A 50 -9.793 -2.207 0.997 1.00 0.00 C ATOM 745 CD1 LEU A 50 -9.118 -2.273 2.367 1.00 0.00 C ATOM 746 CD2 LEU A 50 -10.588 -0.912 0.811 1.00 0.00 C ATOM 0 H LEU A 50 -7.519 -3.606 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.467 -3.751 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.046 -1.579 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.289 -2.283 -1.082 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.504 -3.032 0.949 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.867 -2.141 3.148 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.635 -3.242 2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.371 -1.483 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.307 -0.806 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.906 -0.062 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.119 -0.944 -0.141 1.00 0.00 H new ATOM 758 N ASN A 51 -9.636 -5.146 0.928 1.00 0.00 N ATOM 759 CA ASN A 51 -10.545 -6.275 1.035 1.00 0.00 C ATOM 760 C ASN A 51 -11.363 -6.390 -0.252 1.00 0.00 C ATOM 761 O ASN A 51 -12.421 -5.774 -0.377 1.00 0.00 O ATOM 762 CB ASN A 51 -11.519 -6.089 2.200 1.00 0.00 C ATOM 763 CG ASN A 51 -12.016 -4.643 2.274 1.00 0.00 C ATOM 764 OD1 ASN A 51 -12.545 -4.092 1.323 1.00 0.00 O ATOM 765 ND2 ASN A 51 -11.816 -4.063 3.455 1.00 0.00 N ATOM 0 H ASN A 51 -9.602 -4.546 1.752 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.950 -7.172 1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -12.367 -6.763 2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.028 -6.357 3.136 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.112 -3.099 3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.367 -4.583 4.209 1.00 0.00 H new ATOM 772 N GLY A 52 -10.843 -7.183 -1.177 1.00 0.00 N ATOM 773 CA GLY A 52 -11.513 -7.386 -2.451 1.00 0.00 C ATOM 774 C GLY A 52 -11.541 -6.094 -3.269 1.00 0.00 C ATOM 775 O GLY A 52 -12.451 -5.879 -4.068 1.00 0.00 O ATOM 0 H GLY A 52 -9.966 -7.693 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.001 -8.166 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.532 -7.733 -2.279 1.00 0.00 H new ATOM 779 N ARG A 53 -10.531 -5.266 -3.041 1.00 0.00 N ATOM 780 CA ARG A 53 -10.429 -4.000 -3.747 1.00 0.00 C ATOM 781 C ARG A 53 -8.991 -3.770 -4.218 1.00 0.00 C ATOM 782 O ARG A 53 -8.057 -4.364 -3.683 1.00 0.00 O ATOM 783 CB ARG A 53 -10.858 -2.835 -2.853 1.00 0.00 C ATOM 784 CG ARG A 53 -12.183 -2.236 -3.331 1.00 0.00 C ATOM 785 CD ARG A 53 -12.747 -1.260 -2.297 1.00 0.00 C ATOM 786 NE ARG A 53 -14.109 -0.837 -2.692 1.00 0.00 N ATOM 787 CZ ARG A 53 -15.223 -1.524 -2.399 1.00 0.00 C ATOM 788 NH1 ARG A 53 -15.142 -2.668 -1.708 1.00 0.00 N ATOM 789 NH2 ARG A 53 -16.417 -1.065 -2.798 1.00 0.00 N ATOM 0 H ARG A 53 -9.777 -5.447 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.095 -4.046 -4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.961 -3.180 -1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.085 -2.066 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.032 -1.720 -4.279 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.902 -3.034 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.774 -1.733 -1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.097 -0.389 -2.214 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.207 0.030 -3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.233 -3.017 -1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.989 -3.190 -1.485 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -16.478 -0.193 -3.324 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.264 -1.587 -2.575 1.00 0.00 H new ATOM 803 N THR A 54 -8.860 -2.906 -5.213 1.00 0.00 N ATOM 804 CA THR A 54 -7.551 -2.590 -5.762 1.00 0.00 C ATOM 805 C THR A 54 -7.582 -1.232 -6.464 1.00 0.00 C ATOM 806 O THR A 54 -8.609 -0.834 -7.011 1.00 0.00 O ATOM 807 CB THR A 54 -7.135 -3.739 -6.681 1.00 0.00 C ATOM 808 OG1 THR A 54 -7.214 -4.894 -5.850 1.00 0.00 O ATOM 809 CG2 THR A 54 -5.658 -3.666 -7.078 1.00 0.00 C ATOM 0 H THR A 54 -9.638 -2.415 -5.654 1.00 0.00 H new ATOM 0 HA THR A 54 -6.803 -2.497 -4.975 1.00 0.00 H new ATOM 0 HB THR A 54 -7.753 -3.728 -7.579 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.962 -4.655 -4.934 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.415 -4.505 -7.730 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.468 -2.730 -7.604 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.038 -3.711 -6.183 1.00 0.00 H new ATOM 817 N GLY A 55 -6.443 -0.555 -6.426 1.00 0.00 N ATOM 818 CA GLY A 55 -6.326 0.751 -7.052 1.00 0.00 C ATOM 819 C GLY A 55 -5.138 1.528 -6.480 1.00 0.00 C ATOM 820 O GLY A 55 -4.336 0.978 -5.727 1.00 0.00 O ATOM 0 H GLY A 55 -5.593 -0.887 -5.971 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.204 0.633 -8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.244 1.317 -6.896 1.00 0.00 H new ATOM 824 N TRP A 56 -5.064 2.795 -6.859 1.00 0.00 N ATOM 825 CA TRP A 56 -3.988 3.654 -6.394 1.00 0.00 C ATOM 826 C TRP A 56 -4.583 4.671 -5.419 1.00 0.00 C ATOM 827 O TRP A 56 -5.589 5.313 -5.722 1.00 0.00 O ATOM 828 CB TRP A 56 -3.261 4.308 -7.570 1.00 0.00 C ATOM 829 CG TRP A 56 -2.543 3.317 -8.488 1.00 0.00 C ATOM 830 CD1 TRP A 56 -3.083 2.346 -9.237 1.00 0.00 C ATOM 831 CD2 TRP A 56 -1.121 3.237 -8.723 1.00 0.00 C ATOM 832 NE1 TRP A 56 -2.117 1.651 -9.936 1.00 0.00 N ATOM 833 CE2 TRP A 56 -0.887 2.209 -9.613 1.00 0.00 C ATOM 834 CE3 TRP A 56 -0.068 4.009 -8.200 1.00 0.00 C ATOM 835 CZ2 TRP A 56 0.394 1.858 -10.059 1.00 0.00 C ATOM 836 CZ3 TRP A 56 1.205 3.645 -8.656 1.00 0.00 C ATOM 837 CH2 TRP A 56 1.458 2.613 -9.552 1.00 0.00 C ATOM 0 H TRP A 56 -5.732 3.248 -7.483 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.229 3.072 -5.870 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.982 4.876 -8.159 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.533 5.021 -7.183 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -4.141 2.134 -9.287 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.277 0.871 -10.573 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -0.228 4.818 -7.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 0.552 1.049 -10.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.050 4.206 -8.285 1.00 0.00 H new ATOM 0 HH2 TRP A 56 2.471 2.395 -9.856 1.00 0.00 H new ATOM 848 N PHE A 57 -3.937 4.788 -4.268 1.00 0.00 N ATOM 849 CA PHE A 57 -4.391 5.717 -3.246 1.00 0.00 C ATOM 850 C PHE A 57 -3.206 6.421 -2.581 1.00 0.00 C ATOM 851 O PHE A 57 -2.076 5.941 -2.650 1.00 0.00 O ATOM 852 CB PHE A 57 -5.137 4.894 -2.194 1.00 0.00 C ATOM 853 CG PHE A 57 -4.279 3.823 -1.519 1.00 0.00 C ATOM 854 CD1 PHE A 57 -3.506 4.146 -0.446 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.289 2.547 -1.990 1.00 0.00 C ATOM 856 CE1 PHE A 57 -2.710 3.151 0.180 1.00 0.00 C ATOM 857 CE2 PHE A 57 -3.493 1.552 -1.363 1.00 0.00 C ATOM 858 CZ PHE A 57 -2.720 1.875 -0.292 1.00 0.00 C ATOM 0 H PHE A 57 -3.103 4.255 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 57 -5.029 6.480 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.527 5.567 -1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.995 4.414 -2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -3.498 5.159 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.902 2.290 -2.841 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.096 3.407 1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.502 0.539 -1.737 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.114 1.118 0.184 1.00 0.00 H new ATOM 868 N PRO A 58 -3.515 7.577 -1.935 1.00 0.00 N ATOM 869 CA PRO A 58 -2.488 8.352 -1.258 1.00 0.00 C ATOM 870 C PRO A 58 -2.077 7.687 0.057 1.00 0.00 C ATOM 871 O PRO A 58 -2.925 7.383 0.895 1.00 0.00 O ATOM 872 CB PRO A 58 -3.102 9.729 -1.060 1.00 0.00 C ATOM 873 CG PRO A 58 -4.602 9.542 -1.212 1.00 0.00 C ATOM 874 CD PRO A 58 -4.842 8.175 -1.832 1.00 0.00 C ATOM 0 HA PRO A 58 -1.565 8.420 -1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.856 10.129 -0.076 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.720 10.436 -1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.096 9.613 -0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -5.022 10.326 -1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.502 7.569 -1.211 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.315 8.261 -2.810 1.00 0.00 H new ATOM 882 N SER A 59 -0.776 7.478 0.196 1.00 0.00 N ATOM 883 CA SER A 59 -0.242 6.854 1.395 1.00 0.00 C ATOM 884 C SER A 59 -0.100 7.894 2.507 1.00 0.00 C ATOM 885 O SER A 59 -0.062 7.545 3.686 1.00 0.00 O ATOM 886 CB SER A 59 1.108 6.189 1.115 1.00 0.00 C ATOM 887 OG SER A 59 1.650 5.574 2.279 1.00 0.00 O ATOM 0 H SER A 59 -0.076 7.730 -0.502 1.00 0.00 H new ATOM 0 HA SER A 59 -0.939 6.080 1.717 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.988 5.441 0.332 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.809 6.935 0.739 1.00 0.00 H new ATOM 0 HG SER A 59 1.626 4.600 2.176 1.00 0.00 H new ATOM 893 N ASN A 60 -0.028 9.151 2.094 1.00 0.00 N ATOM 894 CA ASN A 60 0.108 10.244 3.042 1.00 0.00 C ATOM 895 C ASN A 60 -1.158 10.333 3.896 1.00 0.00 C ATOM 896 O ASN A 60 -1.083 10.585 5.098 1.00 0.00 O ATOM 897 CB ASN A 60 0.286 11.581 2.319 1.00 0.00 C ATOM 898 CG ASN A 60 1.769 11.930 2.167 1.00 0.00 C ATOM 899 OD1 ASN A 60 2.462 11.436 1.295 1.00 0.00 O ATOM 900 ND2 ASN A 60 2.212 12.806 3.065 1.00 0.00 N ATOM 0 H ASN A 60 -0.061 9.437 1.115 1.00 0.00 H new ATOM 0 HA ASN A 60 0.985 10.048 3.659 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.182 11.532 1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.222 12.369 2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.188 13.103 3.049 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.576 13.181 3.769 1.00 0.00 H new ATOM 907 N TYR A 61 -2.290 10.121 3.242 1.00 0.00 N ATOM 908 CA TYR A 61 -3.570 10.175 3.928 1.00 0.00 C ATOM 909 C TYR A 61 -3.706 9.025 4.927 1.00 0.00 C ATOM 910 O TYR A 61 -3.828 9.254 6.129 1.00 0.00 O ATOM 911 CB TYR A 61 -4.637 10.019 2.841 1.00 0.00 C ATOM 912 CG TYR A 61 -4.910 11.298 2.049 1.00 0.00 C ATOM 913 CD1 TYR A 61 -3.860 12.014 1.510 1.00 0.00 C ATOM 914 CD2 TYR A 61 -6.207 11.736 1.871 1.00 0.00 C ATOM 915 CE1 TYR A 61 -4.118 13.219 0.765 1.00 0.00 C ATOM 916 CE2 TYR A 61 -6.465 12.941 1.126 1.00 0.00 C ATOM 917 CZ TYR A 61 -5.407 13.623 0.609 1.00 0.00 C ATOM 918 OH TYR A 61 -5.650 14.761 -0.095 1.00 0.00 O ATOM 0 H TYR A 61 -2.348 9.912 2.245 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.670 11.108 4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.325 9.236 2.150 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.566 9.685 3.303 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.845 11.670 1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.029 11.175 2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.306 13.789 0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.475 13.295 0.981 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.615 14.927 -0.126 1.00 0.00 H new ATOM 928 N VAL A 62 -3.679 7.813 4.393 1.00 0.00 N ATOM 929 CA VAL A 62 -3.797 6.626 5.225 1.00 0.00 C ATOM 930 C VAL A 62 -2.634 6.586 6.217 1.00 0.00 C ATOM 931 O VAL A 62 -1.809 7.498 6.249 1.00 0.00 O ATOM 932 CB VAL A 62 -3.876 5.377 4.345 1.00 0.00 C ATOM 933 CG1 VAL A 62 -4.742 5.630 3.109 1.00 0.00 C ATOM 934 CG2 VAL A 62 -2.478 4.899 3.946 1.00 0.00 C ATOM 0 H VAL A 62 -3.577 7.627 3.395 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.718 6.657 5.806 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.348 4.586 4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.781 4.726 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.751 5.902 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.312 6.443 2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.562 4.010 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.969 5.687 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.906 4.659 4.842 1.00 0.00 H new ATOM 944 N ARG A 63 -2.604 5.520 7.003 1.00 0.00 N ATOM 945 CA ARG A 63 -1.556 5.348 7.994 1.00 0.00 C ATOM 946 C ARG A 63 -0.934 3.956 7.874 1.00 0.00 C ATOM 947 O ARG A 63 -1.647 2.963 7.744 1.00 0.00 O ATOM 948 CB ARG A 63 -2.101 5.536 9.411 1.00 0.00 C ATOM 949 CG ARG A 63 -0.978 5.450 10.446 1.00 0.00 C ATOM 950 CD ARG A 63 -1.237 4.320 11.444 1.00 0.00 C ATOM 951 NE ARG A 63 -2.348 4.688 12.350 1.00 0.00 N ATOM 952 CZ ARG A 63 -3.011 3.814 13.120 1.00 0.00 C ATOM 953 NH1 ARG A 63 -2.678 2.517 13.100 1.00 0.00 N ATOM 954 NH2 ARG A 63 -4.006 4.239 13.910 1.00 0.00 N ATOM 0 H ARG A 63 -3.290 4.766 6.973 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.796 6.106 7.806 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.598 6.503 9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.852 4.774 9.620 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.026 5.284 9.942 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.896 6.398 10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.481 3.402 10.910 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.335 4.122 12.023 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.627 5.668 12.391 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.920 2.194 12.499 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.183 1.852 13.686 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.259 5.227 13.925 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.511 3.574 14.496 1.00 0.00 H new ATOM 968 N GLU A 64 0.390 3.928 7.921 1.00 0.00 N ATOM 969 CA GLU A 64 1.116 2.673 7.819 1.00 0.00 C ATOM 970 C GLU A 64 1.244 2.021 9.198 1.00 0.00 C ATOM 971 O GLU A 64 1.392 2.712 10.204 1.00 0.00 O ATOM 972 CB GLU A 64 2.492 2.886 7.183 1.00 0.00 C ATOM 973 CG GLU A 64 3.406 1.687 7.442 1.00 0.00 C ATOM 974 CD GLU A 64 4.800 1.924 6.858 1.00 0.00 C ATOM 975 OE1 GLU A 64 4.858 2.415 5.709 1.00 0.00 O ATOM 976 OE2 GLU A 64 5.776 1.611 7.573 1.00 0.00 O ATOM 0 H GLU A 64 0.979 4.754 8.028 1.00 0.00 H new ATOM 0 HA GLU A 64 0.553 2.001 7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.381 3.038 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.948 3.790 7.588 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.483 1.509 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.970 0.791 7.000 1.00 0.00 H new ATOM 983 N ILE A 65 1.183 0.697 9.197 1.00 0.00 N ATOM 984 CA ILE A 65 1.290 -0.056 10.435 1.00 0.00 C ATOM 985 C ILE A 65 2.671 -0.711 10.511 1.00 0.00 C ATOM 986 O ILE A 65 3.429 -0.460 11.446 1.00 0.00 O ATOM 987 CB ILE A 65 0.132 -1.048 10.560 1.00 0.00 C ATOM 988 CG1 ILE A 65 -1.210 -0.360 10.302 1.00 0.00 C ATOM 989 CG2 ILE A 65 0.160 -1.757 11.917 1.00 0.00 C ATOM 990 CD1 ILE A 65 -2.374 -1.230 10.781 1.00 0.00 C ATOM 0 H ILE A 65 1.061 0.127 8.360 1.00 0.00 H new ATOM 0 HA ILE A 65 1.204 0.609 11.294 1.00 0.00 H new ATOM 0 HB ILE A 65 0.255 -1.813 9.794 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.234 0.601 10.816 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.319 -0.155 9.237 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.674 -2.456 11.979 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.099 -2.301 12.024 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.075 -1.019 12.715 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.316 -0.717 10.586 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.361 -2.181 10.248 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.275 -1.413 11.851 1.00 0.00 H new ATOM 1002 N LYS A 66 2.955 -1.535 9.514 1.00 0.00 N ATOM 1003 CA LYS A 66 4.231 -2.228 9.456 1.00 0.00 C ATOM 1004 C LYS A 66 5.355 -1.246 9.794 1.00 0.00 C ATOM 1005 O LYS A 66 5.622 -0.317 9.033 1.00 0.00 O ATOM 1006 CB LYS A 66 4.405 -2.919 8.103 1.00 0.00 C ATOM 1007 CG LYS A 66 3.547 -4.184 8.019 1.00 0.00 C ATOM 1008 CD LYS A 66 4.404 -5.440 8.193 1.00 0.00 C ATOM 1009 CE LYS A 66 5.080 -5.829 6.876 1.00 0.00 C ATOM 1010 NZ LYS A 66 5.883 -7.060 7.051 1.00 0.00 N ATOM 0 H LYS A 66 2.323 -1.739 8.739 1.00 0.00 H new ATOM 0 HA LYS A 66 4.267 -3.023 10.200 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.128 -2.233 7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.454 -3.176 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.775 -4.156 8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.036 -4.218 7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.162 -5.265 8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.782 -6.263 8.544 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.325 -5.986 6.105 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.720 -5.015 6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.335 -7.311 6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.615 -6.897 7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.264 -7.838 7.356 1.00 0.00 H new ATOM 1024 N SER A 67 5.984 -1.484 10.936 1.00 0.00 N ATOM 1025 CA SER A 67 7.073 -0.632 11.383 1.00 0.00 C ATOM 1026 C SER A 67 8.370 -1.026 10.674 1.00 0.00 C ATOM 1027 O SER A 67 9.338 -0.267 10.679 1.00 0.00 O ATOM 1028 CB SER A 67 7.250 -0.717 12.900 1.00 0.00 C ATOM 1029 OG SER A 67 7.882 -1.931 13.297 1.00 0.00 O ATOM 0 H SER A 67 5.760 -2.255 11.565 1.00 0.00 H new ATOM 0 HA SER A 67 6.827 0.399 11.130 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.844 0.130 13.244 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.276 -0.640 13.383 1.00 0.00 H new ATOM 0 HG SER A 67 7.978 -1.946 14.272 1.00 0.00 H new ATOM 1035 N SER A 68 8.347 -2.210 10.082 1.00 0.00 N ATOM 1036 CA SER A 68 9.510 -2.713 9.370 1.00 0.00 C ATOM 1037 C SER A 68 9.514 -2.184 7.934 1.00 0.00 C ATOM 1038 O SER A 68 10.495 -2.347 7.211 1.00 0.00 O ATOM 1039 CB SER A 68 9.538 -4.243 9.371 1.00 0.00 C ATOM 1040 OG SER A 68 10.230 -4.763 10.504 1.00 0.00 O ATOM 0 H SER A 68 7.542 -2.836 10.080 1.00 0.00 H new ATOM 0 HA SER A 68 10.404 -2.360 9.884 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.517 -4.624 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.018 -4.598 8.459 1.00 0.00 H new ATOM 0 HG SER A 68 10.225 -5.742 10.469 1.00 0.00 H new ATOM 1046 N GLU A 69 8.405 -1.561 7.564 1.00 0.00 N ATOM 1047 CA GLU A 69 8.267 -1.006 6.228 1.00 0.00 C ATOM 1048 C GLU A 69 8.556 0.496 6.244 1.00 0.00 C ATOM 1049 O GLU A 69 8.838 1.090 5.204 1.00 0.00 O ATOM 1050 CB GLU A 69 6.879 -1.293 5.655 1.00 0.00 C ATOM 1051 CG GLU A 69 6.660 -2.796 5.470 1.00 0.00 C ATOM 1052 CD GLU A 69 7.577 -3.353 4.379 1.00 0.00 C ATOM 1053 OE1 GLU A 69 7.204 -3.205 3.195 1.00 0.00 O ATOM 1054 OE2 GLU A 69 8.628 -3.915 4.753 1.00 0.00 O ATOM 0 H GLU A 69 7.593 -1.428 8.167 1.00 0.00 H new ATOM 0 HA GLU A 69 8.997 -1.489 5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.116 -0.891 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.765 -0.785 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.851 -3.313 6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.619 -2.986 5.207 1.00 0.00 H new ATOM 1061 N ARG A 70 8.473 1.068 7.436 1.00 0.00 N ATOM 1062 CA ARG A 70 8.721 2.491 7.602 1.00 0.00 C ATOM 1063 C ARG A 70 10.216 2.750 7.797 1.00 0.00 C ATOM 1064 O ARG A 70 10.771 3.679 7.211 1.00 0.00 O ATOM 1065 CB ARG A 70 7.954 3.048 8.802 1.00 0.00 C ATOM 1066 CG ARG A 70 7.016 4.180 8.376 1.00 0.00 C ATOM 1067 CD ARG A 70 6.489 4.942 9.594 1.00 0.00 C ATOM 1068 NE ARG A 70 6.290 6.368 9.251 1.00 0.00 N ATOM 1069 CZ ARG A 70 6.124 7.343 10.157 1.00 0.00 C ATOM 1070 NH1 ARG A 70 6.130 7.050 11.464 1.00 0.00 N ATOM 1071 NH2 ARG A 70 5.949 8.609 9.754 1.00 0.00 N ATOM 0 H ARG A 70 8.238 0.573 8.296 1.00 0.00 H new ATOM 0 HA ARG A 70 8.376 2.995 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.378 2.251 9.272 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.658 3.416 9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.545 4.866 7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.180 3.771 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.548 4.505 9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.193 4.853 10.422 1.00 0.00 H new ATOM 0 HE ARG A 70 6.278 6.625 8.264 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.261 6.086 11.770 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.004 7.791 12.153 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.942 8.831 8.758 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.823 9.351 10.443 1.00 0.00 H new ATOM 1085 N SER A 71 10.827 1.912 8.621 1.00 0.00 N ATOM 1086 CA SER A 71 12.247 2.039 8.901 1.00 0.00 C ATOM 1087 C SER A 71 13.038 1.041 8.054 1.00 0.00 C ATOM 1088 O SER A 71 14.218 0.801 8.310 1.00 0.00 O ATOM 1089 CB SER A 71 12.538 1.822 10.387 1.00 0.00 C ATOM 1090 OG SER A 71 13.715 2.506 10.807 1.00 0.00 O ATOM 0 H SER A 71 10.364 1.142 9.104 1.00 0.00 H new ATOM 0 HA SER A 71 12.557 3.052 8.643 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.689 2.167 10.977 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.650 0.755 10.582 1.00 0.00 H new ATOM 0 HG SER A 71 13.865 2.343 11.762 1.00 0.00 H new ATOM 1096 N GLY A 72 12.358 0.485 7.062 1.00 0.00 N ATOM 1097 CA GLY A 72 12.983 -0.482 6.176 1.00 0.00 C ATOM 1098 C GLY A 72 12.153 -0.678 4.906 1.00 0.00 C ATOM 1099 O GLY A 72 11.643 -1.770 4.655 1.00 0.00 O ATOM 0 H GLY A 72 11.380 0.686 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.985 -0.144 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.094 -1.435 6.693 1.00 0.00 H new ATOM 1103 N PRO A 73 12.039 0.424 4.118 1.00 0.00 N ATOM 1104 CA PRO A 73 11.280 0.384 2.880 1.00 0.00 C ATOM 1105 C PRO A 73 12.050 -0.360 1.787 1.00 0.00 C ATOM 1106 O PRO A 73 12.394 0.222 0.759 1.00 0.00 O ATOM 1107 CB PRO A 73 11.015 1.840 2.533 1.00 0.00 C ATOM 1108 CG PRO A 73 12.026 2.648 3.330 1.00 0.00 C ATOM 1109 CD PRO A 73 12.628 1.733 4.384 1.00 0.00 C ATOM 0 HA PRO A 73 10.344 -0.165 2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.132 2.014 1.463 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.995 2.124 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.804 3.039 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.544 3.506 3.799 1.00 0.00 H new ATOM 0 HD2 PRO A 73 13.715 1.701 4.307 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.390 2.077 5.390 1.00 0.00 H new ATOM 1117 N SER A 74 12.298 -1.635 2.047 1.00 0.00 N ATOM 1118 CA SER A 74 13.023 -2.464 1.099 1.00 0.00 C ATOM 1119 C SER A 74 13.408 -3.794 1.753 1.00 0.00 C ATOM 1120 O SER A 74 13.614 -3.856 2.964 1.00 0.00 O ATOM 1121 CB SER A 74 14.270 -1.747 0.579 1.00 0.00 C ATOM 1122 OG SER A 74 14.782 -0.814 1.526 1.00 0.00 O ATOM 0 H SER A 74 12.010 -2.114 2.900 1.00 0.00 H new ATOM 0 HA SER A 74 12.370 -2.660 0.249 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.039 -2.482 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.029 -1.227 -0.348 1.00 0.00 H new ATOM 0 HG SER A 74 15.579 -0.378 1.158 1.00 0.00 H new ATOM 1128 N SER A 75 13.492 -4.823 0.923 1.00 0.00 N ATOM 1129 CA SER A 75 13.849 -6.146 1.406 1.00 0.00 C ATOM 1130 C SER A 75 14.083 -7.088 0.224 1.00 0.00 C ATOM 1131 O SER A 75 13.488 -6.917 -0.838 1.00 0.00 O ATOM 1132 CB SER A 75 12.764 -6.708 2.326 1.00 0.00 C ATOM 1133 OG SER A 75 13.281 -7.678 3.232 1.00 0.00 O ATOM 0 H SER A 75 13.319 -4.767 -0.081 1.00 0.00 H new ATOM 0 HA SER A 75 14.769 -6.062 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.308 -5.893 2.889 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.976 -7.159 1.723 1.00 0.00 H new ATOM 0 HG SER A 75 12.557 -8.011 3.803 1.00 0.00 H new ATOM 1139 N GLY A 76 14.953 -8.063 0.449 1.00 0.00 N ATOM 1140 CA GLY A 76 15.274 -9.033 -0.585 1.00 0.00 C ATOM 1141 C GLY A 76 15.716 -8.336 -1.873 1.00 0.00 C ATOM 1142 O GLY A 76 16.064 -8.995 -2.851 1.00 0.00 O ATOM 0 H GLY A 76 15.445 -8.202 1.332 1.00 0.00 H new ATOM 0 HA2 GLY A 76 16.067 -9.694 -0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.403 -9.657 -0.786 1.00 0.00 H new TER 1146 GLY A 76