USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 10 LYS NZ :NH3+ -161:sc= 1.73 (180deg=-0.104) USER MOD Set 2.2: A 31 TYR OH : rot 180:sc= 0.728 USER MOD Single : A 1 VAL N :NH3+ 180:sc= 0.515 (180deg=0.515) USER MOD Single : A 2 SER OG : rot -43:sc= 0.286 USER MOD Single : A 3 GLN : amide:sc= -0.362 K(o=-0.36,f=-2.9) USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= 1.23 (180deg=1.1) USER MOD Single : A 13 ASN : amide:sc= 1.26 K(o=1.3,f=-0.016) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0547 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 54:sc= 0.957 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0263 K(o=-0.026,f=-2.1) USER MOD Single : A 35 THR OG1 : rot 84:sc= 1.13 USER MOD Single : A 39 ASN : amide:sc= -0.207 K(o=-0.21,f=-3.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 166:sc= -0.0599 (180deg=-0.327) USER MOD Single : A 48 ASN : amide:sc= 0.65 K(o=0.65,f=-4.6!) USER MOD Single : A 50 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00386) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -138:sc= 1.06 (180deg=-0.838!) USER MOD Single : A 65 SER OG : rot -53:sc= 1.35 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 71 LYS NZ :NH3+ 150:sc= 1.21 (180deg=0.944) USER MOD Single : A 73 TYR OH : rot 90:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0.998 K(o=1,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 1.18 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -11.013 11.408 -2.700 1.00 0.00 N ATOM 2 CA VAL A 1 -10.663 11.432 -1.262 1.00 0.00 C ATOM 3 C VAL A 1 -10.215 10.133 -0.686 1.00 0.00 C ATOM 4 O VAL A 1 -10.471 9.050 -1.208 1.00 0.00 O ATOM 5 CB VAL A 1 -11.738 12.066 -0.428 1.00 0.00 C ATOM 6 CG1 VAL A 1 -11.892 13.549 -0.802 1.00 0.00 C ATOM 7 CG2 VAL A 1 -13.078 11.316 -0.512 1.00 0.00 C ATOM 0 H1 VAL A 1 -11.311 12.358 -3.001 1.00 0.00 H new ATOM 0 H2 VAL A 1 -10.184 11.113 -3.254 1.00 0.00 H new ATOM 0 H3 VAL A 1 -11.791 10.736 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 1 -9.777 12.065 -1.222 1.00 0.00 H new ATOM 0 HB VAL A 1 -11.426 11.999 0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -12.674 13.999 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -10.950 14.068 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -12.161 13.633 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -13.817 11.820 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -13.423 11.303 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -12.945 10.293 -0.161 1.00 0.00 H new ATOM 19 N SER A 2 -9.486 10.186 0.443 1.00 0.00 N ATOM 20 CA SER A 2 -8.857 9.129 1.174 1.00 0.00 C ATOM 21 C SER A 2 -9.735 8.457 2.172 1.00 0.00 C ATOM 22 O SER A 2 -9.298 7.600 2.938 1.00 0.00 O ATOM 23 CB SER A 2 -7.651 9.718 1.925 1.00 0.00 C ATOM 24 OG SER A 2 -6.735 8.734 2.382 1.00 0.00 O ATOM 0 H SER A 2 -9.319 11.084 0.897 1.00 0.00 H new ATOM 0 HA SER A 2 -8.580 8.371 0.442 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.128 10.413 1.268 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.010 10.294 2.778 1.00 0.00 H new ATOM 0 HG SER A 2 -7.230 7.978 2.762 1.00 0.00 H new ATOM 30 N GLN A 3 -11.043 8.770 2.225 1.00 0.00 N ATOM 31 CA GLN A 3 -11.961 8.088 3.083 1.00 0.00 C ATOM 32 C GLN A 3 -12.120 6.665 2.668 1.00 0.00 C ATOM 33 O GLN A 3 -11.862 5.758 3.457 1.00 0.00 O ATOM 34 CB GLN A 3 -13.358 8.722 3.188 1.00 0.00 C ATOM 35 CG GLN A 3 -13.440 9.953 4.094 1.00 0.00 C ATOM 36 CD GLN A 3 -13.180 11.247 3.336 1.00 0.00 C ATOM 37 OE1 GLN A 3 -12.086 11.492 2.831 1.00 0.00 O ATOM 38 NE2 GLN A 3 -14.225 12.112 3.238 1.00 0.00 N ATOM 0 H GLN A 3 -11.469 9.507 1.664 1.00 0.00 H new ATOM 0 HA GLN A 3 -11.506 8.167 4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.690 9.002 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -14.056 7.970 3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.427 9.997 4.555 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -12.715 9.856 4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.121 11.881 3.668 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.113 12.992 2.735 1.00 0.00 H new ATOM 47 N LEU A 4 -12.471 6.445 1.388 1.00 0.00 N ATOM 48 CA LEU A 4 -12.672 5.197 0.721 1.00 0.00 C ATOM 49 C LEU A 4 -11.419 4.393 0.665 1.00 0.00 C ATOM 50 O LEU A 4 -11.443 3.166 0.750 1.00 0.00 O ATOM 51 CB LEU A 4 -13.102 5.354 -0.747 1.00 0.00 C ATOM 52 CG LEU A 4 -12.474 6.580 -1.432 1.00 0.00 C ATOM 53 CD1 LEU A 4 -12.211 6.405 -2.937 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.354 7.829 -1.263 1.00 0.00 C ATOM 0 H LEU A 4 -12.630 7.229 0.755 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.453 4.712 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.825 4.456 -1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.188 5.435 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.514 6.696 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.768 7.317 -3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.527 5.571 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.152 6.203 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.881 8.677 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.332 7.648 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.473 8.049 -0.202 1.00 0.00 H new ATOM 66 N PHE A 5 -10.277 5.087 0.507 1.00 0.00 N ATOM 67 CA PHE A 5 -8.955 4.545 0.520 1.00 0.00 C ATOM 68 C PHE A 5 -8.746 3.731 1.750 1.00 0.00 C ATOM 69 O PHE A 5 -8.486 2.531 1.666 1.00 0.00 O ATOM 70 CB PHE A 5 -7.997 5.741 0.401 1.00 0.00 C ATOM 71 CG PHE A 5 -6.559 5.379 0.551 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.827 4.989 -0.546 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.968 5.434 1.791 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.509 4.626 -0.400 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.650 5.074 1.950 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.933 4.674 0.847 1.00 0.00 C ATOM 0 H PHE A 5 -10.280 6.096 0.360 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.774 3.860 -0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.143 6.216 -0.569 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.257 6.479 1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.288 4.968 -1.523 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.542 5.762 2.645 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.933 4.307 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.186 5.105 2.925 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.897 4.392 0.963 1.00 0.00 H new ATOM 86 N GLU A 6 -8.961 4.313 2.944 1.00 0.00 N ATOM 87 CA GLU A 6 -8.820 3.584 4.165 1.00 0.00 C ATOM 88 C GLU A 6 -9.950 2.646 4.411 1.00 0.00 C ATOM 89 O GLU A 6 -9.739 1.553 4.936 1.00 0.00 O ATOM 90 CB GLU A 6 -8.598 4.475 5.400 1.00 0.00 C ATOM 91 CG GLU A 6 -7.150 4.952 5.523 1.00 0.00 C ATOM 92 CD GLU A 6 -6.875 5.486 6.921 1.00 0.00 C ATOM 93 OE1 GLU A 6 -7.182 6.680 7.185 1.00 0.00 O ATOM 94 OE2 GLU A 6 -6.367 4.704 7.768 1.00 0.00 O ATOM 0 H GLU A 6 -9.233 5.289 3.063 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.912 2.999 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.259 5.340 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.873 3.922 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.471 4.128 5.303 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.955 5.731 4.786 1.00 0.00 H new ATOM 101 N GLU A 7 -11.179 3.003 3.997 1.00 0.00 N ATOM 102 CA GLU A 7 -12.375 2.238 4.161 1.00 0.00 C ATOM 103 C GLU A 7 -12.281 0.894 3.525 1.00 0.00 C ATOM 104 O GLU A 7 -12.670 -0.119 4.102 1.00 0.00 O ATOM 105 CB GLU A 7 -13.580 3.080 3.708 1.00 0.00 C ATOM 106 CG GLU A 7 -14.591 2.547 2.690 1.00 0.00 C ATOM 107 CD GLU A 7 -15.672 1.653 3.280 1.00 0.00 C ATOM 108 OE1 GLU A 7 -16.105 1.867 4.443 1.00 0.00 O ATOM 109 OE2 GLU A 7 -16.171 0.764 2.539 1.00 0.00 O ATOM 0 H GLU A 7 -11.347 3.886 3.515 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.522 2.010 5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.141 3.339 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.182 4.010 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.068 3.392 2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.055 1.989 1.923 1.00 0.00 H new ATOM 116 N LYS A 8 -11.689 0.805 2.320 1.00 0.00 N ATOM 117 CA LYS A 8 -11.376 -0.448 1.705 1.00 0.00 C ATOM 118 C LYS A 8 -10.016 -0.970 2.018 1.00 0.00 C ATOM 119 O LYS A 8 -9.858 -2.184 2.127 1.00 0.00 O ATOM 120 CB LYS A 8 -11.615 -0.393 0.187 1.00 0.00 C ATOM 121 CG LYS A 8 -13.045 -0.051 -0.237 1.00 0.00 C ATOM 122 CD LYS A 8 -14.071 -0.972 0.425 1.00 0.00 C ATOM 123 CE LYS A 8 -15.438 -1.068 -0.255 1.00 0.00 C ATOM 124 NZ LYS A 8 -16.218 0.170 -0.035 1.00 0.00 N ATOM 0 H LYS A 8 -11.423 1.617 1.763 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.065 -1.166 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.939 0.345 -0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.347 -1.359 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.264 0.984 0.025 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.131 -0.131 -1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.646 -1.974 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.222 -0.634 1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.307 -1.237 -1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.986 -1.924 0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.234 -0.054 -0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.961 0.584 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -16.008 0.852 -0.792 1.00 0.00 H new ATOM 138 N ALA A 9 -8.964 -0.155 2.218 1.00 0.00 N ATOM 139 CA ALA A 9 -7.637 -0.639 2.441 1.00 0.00 C ATOM 140 C ALA A 9 -7.478 -1.469 3.668 1.00 0.00 C ATOM 141 O ALA A 9 -6.824 -2.511 3.697 1.00 0.00 O ATOM 142 CB ALA A 9 -6.623 0.500 2.644 1.00 0.00 C ATOM 0 H ALA A 9 -9.038 0.862 2.225 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.455 -1.226 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.631 0.079 2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.605 1.133 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.913 1.096 3.509 1.00 0.00 H new ATOM 148 N LYS A 10 -8.126 -1.012 4.755 1.00 0.00 N ATOM 149 CA LYS A 10 -8.148 -1.675 6.020 1.00 0.00 C ATOM 150 C LYS A 10 -8.889 -2.968 5.973 1.00 0.00 C ATOM 151 O LYS A 10 -8.700 -3.836 6.824 1.00 0.00 O ATOM 152 CB LYS A 10 -8.745 -0.664 7.014 1.00 0.00 C ATOM 153 CG LYS A 10 -7.839 0.508 7.392 1.00 0.00 C ATOM 154 CD LYS A 10 -6.614 0.112 8.219 1.00 0.00 C ATOM 155 CE LYS A 10 -5.968 1.245 9.019 1.00 0.00 C ATOM 156 NZ LYS A 10 -5.280 2.239 8.167 1.00 0.00 N ATOM 0 H LYS A 10 -8.658 -0.142 4.750 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.146 -1.968 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.666 -0.265 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.019 -1.196 7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.504 1.002 6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.423 1.237 7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.904 -0.679 8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.865 -0.310 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.735 1.749 9.608 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.252 0.822 9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.607 2.784 8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.767 1.749 7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.981 2.885 7.751 1.00 0.00 H new ATOM 170 N ALA A 11 -9.698 -3.201 4.925 1.00 0.00 N ATOM 171 CA ALA A 11 -10.192 -4.496 4.575 1.00 0.00 C ATOM 172 C ALA A 11 -9.156 -5.323 3.893 1.00 0.00 C ATOM 173 O ALA A 11 -8.876 -6.436 4.334 1.00 0.00 O ATOM 174 CB ALA A 11 -11.449 -4.441 3.690 1.00 0.00 C ATOM 0 H ALA A 11 -10.020 -2.462 4.299 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.461 -4.962 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.776 -5.455 3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.244 -3.916 4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.219 -3.913 2.764 1.00 0.00 H new ATOM 180 N VAL A 12 -8.528 -4.847 2.803 1.00 0.00 N ATOM 181 CA VAL A 12 -7.631 -5.592 1.977 1.00 0.00 C ATOM 182 C VAL A 12 -6.371 -5.985 2.668 1.00 0.00 C ATOM 183 O VAL A 12 -5.789 -7.026 2.370 1.00 0.00 O ATOM 184 CB VAL A 12 -7.376 -5.005 0.620 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.674 -4.428 0.028 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.251 -3.957 0.601 1.00 0.00 C ATOM 0 H VAL A 12 -8.654 -3.887 2.481 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.181 -6.512 1.782 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.028 -5.826 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.469 -4.007 -0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.416 -5.221 -0.064 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.057 -3.647 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.124 -3.578 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.509 -3.134 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.321 -4.416 0.936 1.00 0.00 H new ATOM 196 N ASN A 13 -5.939 -5.220 3.687 1.00 0.00 N ATOM 197 CA ASN A 13 -4.793 -5.519 4.488 1.00 0.00 C ATOM 198 C ASN A 13 -4.952 -6.716 5.362 1.00 0.00 C ATOM 199 O ASN A 13 -3.976 -7.214 5.921 1.00 0.00 O ATOM 200 CB ASN A 13 -4.376 -4.308 5.340 1.00 0.00 C ATOM 201 CG ASN A 13 -3.476 -3.379 4.538 1.00 0.00 C ATOM 202 OD1 ASN A 13 -2.254 -3.518 4.548 1.00 0.00 O ATOM 203 ND2 ASN A 13 -4.067 -2.401 3.801 1.00 0.00 N ATOM 0 H ASN A 13 -6.408 -4.358 3.964 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.007 -5.758 3.772 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.262 -3.768 5.674 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.854 -4.647 6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.495 -1.767 3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.082 -2.302 3.806 1.00 0.00 H new ATOM 210 N GLU A 14 -6.179 -7.251 5.487 1.00 0.00 N ATOM 211 CA GLU A 14 -6.428 -8.492 6.153 1.00 0.00 C ATOM 212 C GLU A 14 -7.690 -9.108 5.656 1.00 0.00 C ATOM 213 O GLU A 14 -8.557 -9.560 6.403 1.00 0.00 O ATOM 214 CB GLU A 14 -6.421 -8.370 7.687 1.00 0.00 C ATOM 215 CG GLU A 14 -6.153 -9.700 8.393 1.00 0.00 C ATOM 216 CD GLU A 14 -6.011 -9.551 9.901 1.00 0.00 C ATOM 217 OE1 GLU A 14 -6.988 -9.129 10.576 1.00 0.00 O ATOM 218 OE2 GLU A 14 -4.922 -9.892 10.435 1.00 0.00 O ATOM 0 H GLU A 14 -7.020 -6.810 5.116 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.598 -9.154 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.661 -7.648 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.382 -7.976 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.967 -10.391 8.176 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.243 -10.143 7.989 1.00 0.00 H new ATOM 225 N LEU A 15 -7.858 -9.168 4.324 1.00 0.00 N ATOM 226 CA LEU A 15 -8.973 -9.771 3.662 1.00 0.00 C ATOM 227 C LEU A 15 -8.953 -11.251 3.833 1.00 0.00 C ATOM 228 O LEU A 15 -7.872 -11.793 4.057 1.00 0.00 O ATOM 229 CB LEU A 15 -8.861 -9.379 2.179 1.00 0.00 C ATOM 230 CG LEU A 15 -10.134 -8.991 1.407 1.00 0.00 C ATOM 231 CD1 LEU A 15 -11.120 -8.086 2.165 1.00 0.00 C ATOM 232 CD2 LEU A 15 -9.755 -8.294 0.090 1.00 0.00 C ATOM 0 H LEU A 15 -7.179 -8.774 3.673 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.917 -9.426 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.169 -8.540 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.400 -10.215 1.653 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.652 -9.936 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.981 -7.874 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.453 -8.590 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.626 -7.151 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.661 -8.022 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.178 -7.395 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.157 -8.970 -0.520 1.00 0.00 H new ATOM 244 N PRO A 16 -10.004 -12.015 3.776 1.00 0.00 N ATOM 245 CA PRO A 16 -9.910 -13.437 3.937 1.00 0.00 C ATOM 246 C PRO A 16 -9.429 -14.094 2.689 1.00 0.00 C ATOM 247 O PRO A 16 -8.956 -15.228 2.738 1.00 0.00 O ATOM 248 CB PRO A 16 -11.343 -13.857 4.256 1.00 0.00 C ATOM 249 CG PRO A 16 -12.232 -12.829 3.538 1.00 0.00 C ATOM 250 CD PRO A 16 -11.370 -11.557 3.578 1.00 0.00 C ATOM 0 HA PRO A 16 -9.198 -13.725 4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.545 -14.868 3.902 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.525 -13.853 5.331 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -12.460 -13.133 2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.185 -12.690 4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -11.463 -10.991 2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -11.683 -10.897 4.387 1.00 0.00 H new ATOM 258 N THR A 17 -9.534 -13.400 1.541 1.00 0.00 N ATOM 259 CA THR A 17 -9.006 -13.826 0.282 1.00 0.00 C ATOM 260 C THR A 17 -7.987 -12.768 0.026 1.00 0.00 C ATOM 261 O THR A 17 -8.214 -11.779 -0.668 1.00 0.00 O ATOM 262 CB THR A 17 -10.064 -13.894 -0.779 1.00 0.00 C ATOM 263 OG1 THR A 17 -10.966 -14.949 -0.482 1.00 0.00 O ATOM 264 CG2 THR A 17 -9.515 -14.192 -2.183 1.00 0.00 C ATOM 0 H THR A 17 -10.010 -12.499 1.489 1.00 0.00 H new ATOM 0 HA THR A 17 -8.595 -14.836 0.281 1.00 0.00 H new ATOM 0 HB THR A 17 -10.535 -12.911 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.658 -14.992 -1.174 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.339 -14.226 -2.896 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.815 -13.409 -2.474 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.001 -15.153 -2.176 1.00 0.00 H new ATOM 272 N LYS A 18 -6.842 -12.897 0.719 1.00 0.00 N ATOM 273 CA LYS A 18 -5.781 -11.939 0.739 1.00 0.00 C ATOM 274 C LYS A 18 -5.276 -11.525 -0.601 1.00 0.00 C ATOM 275 O LYS A 18 -5.311 -12.347 -1.516 1.00 0.00 O ATOM 276 CB LYS A 18 -4.602 -12.412 1.606 1.00 0.00 C ATOM 277 CG LYS A 18 -4.985 -12.650 3.068 1.00 0.00 C ATOM 278 CD LYS A 18 -3.795 -12.824 4.013 1.00 0.00 C ATOM 279 CE LYS A 18 -3.157 -11.500 4.440 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.076 -11.724 5.426 1.00 0.00 N ATOM 0 H LYS A 18 -6.646 -13.715 1.297 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.240 -11.054 1.180 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.199 -13.335 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.806 -11.668 1.562 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.588 -11.811 3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.613 -13.539 3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.122 -13.364 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.041 -13.441 3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.756 -10.987 3.566 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.917 -10.848 4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.660 -10.811 5.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.466 -12.192 6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.341 -12.327 5.004 1.00 0.00 H new ATOM 294 N PRO A 19 -4.802 -10.334 -0.816 1.00 0.00 N ATOM 295 CA PRO A 19 -4.409 -9.847 -2.105 1.00 0.00 C ATOM 296 C PRO A 19 -3.344 -10.663 -2.752 1.00 0.00 C ATOM 297 O PRO A 19 -2.529 -11.248 -2.040 1.00 0.00 O ATOM 298 CB PRO A 19 -3.933 -8.417 -1.855 1.00 0.00 C ATOM 299 CG PRO A 19 -4.776 -7.960 -0.654 1.00 0.00 C ATOM 300 CD PRO A 19 -4.851 -9.259 0.163 1.00 0.00 C ATOM 0 HA PRO A 19 -5.244 -9.901 -2.803 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.867 -8.383 -1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.098 -7.782 -2.725 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.300 -7.151 -0.100 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.762 -7.604 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.021 -9.330 0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.769 -9.302 0.749 1.00 0.00 H new ATOM 308 N SER A 20 -3.316 -10.794 -4.090 1.00 0.00 N ATOM 309 CA SER A 20 -2.470 -11.752 -4.732 1.00 0.00 C ATOM 310 C SER A 20 -1.030 -11.371 -4.720 1.00 0.00 C ATOM 311 O SER A 20 -0.657 -10.250 -4.375 1.00 0.00 O ATOM 312 CB SER A 20 -2.943 -12.082 -6.158 1.00 0.00 C ATOM 313 OG SER A 20 -2.321 -13.235 -6.706 1.00 0.00 O ATOM 0 H SER A 20 -3.881 -10.235 -4.729 1.00 0.00 H new ATOM 0 HA SER A 20 -2.556 -12.658 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.023 -12.230 -6.149 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.744 -11.228 -6.806 1.00 0.00 H new ATOM 0 HG SER A 20 -2.664 -13.393 -7.610 1.00 0.00 H new ATOM 319 N THR A 21 -0.132 -12.310 -5.067 1.00 0.00 N ATOM 320 CA THR A 21 1.274 -12.254 -4.816 1.00 0.00 C ATOM 321 C THR A 21 1.989 -11.097 -5.422 1.00 0.00 C ATOM 322 O THR A 21 2.789 -10.437 -4.762 1.00 0.00 O ATOM 323 CB THR A 21 1.929 -13.576 -5.094 1.00 0.00 C ATOM 324 OG1 THR A 21 3.249 -13.648 -4.577 1.00 0.00 O ATOM 325 CG2 THR A 21 1.991 -13.937 -6.587 1.00 0.00 C ATOM 0 H THR A 21 -0.407 -13.163 -5.554 1.00 0.00 H new ATOM 0 HA THR A 21 1.367 -12.056 -3.748 1.00 0.00 H new ATOM 0 HB THR A 21 1.285 -14.293 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.633 -14.526 -4.781 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.477 -14.905 -6.707 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.980 -13.986 -6.992 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.559 -13.176 -7.122 1.00 0.00 H new ATOM 333 N ASP A 22 1.685 -10.750 -6.686 1.00 0.00 N ATOM 334 CA ASP A 22 2.192 -9.592 -7.354 1.00 0.00 C ATOM 335 C ASP A 22 1.395 -8.365 -7.073 1.00 0.00 C ATOM 336 O ASP A 22 1.865 -7.242 -7.254 1.00 0.00 O ATOM 337 CB ASP A 22 2.202 -9.861 -8.868 1.00 0.00 C ATOM 338 CG ASP A 22 3.488 -10.585 -9.240 1.00 0.00 C ATOM 339 OD1 ASP A 22 4.530 -9.886 -9.367 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.490 -11.826 -9.453 1.00 0.00 O ATOM 0 H ASP A 22 1.056 -11.303 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 22 3.199 -9.408 -6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.338 -10.463 -9.148 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.128 -8.922 -9.417 1.00 0.00 H new ATOM 345 N GLU A 23 0.149 -8.504 -6.588 1.00 0.00 N ATOM 346 CA GLU A 23 -0.735 -7.413 -6.317 1.00 0.00 C ATOM 347 C GLU A 23 -0.357 -6.722 -5.052 1.00 0.00 C ATOM 348 O GLU A 23 -0.222 -5.500 -5.028 1.00 0.00 O ATOM 349 CB GLU A 23 -2.202 -7.855 -6.190 1.00 0.00 C ATOM 350 CG GLU A 23 -2.760 -8.459 -7.480 1.00 0.00 C ATOM 351 CD GLU A 23 -4.239 -8.789 -7.331 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.637 -9.360 -6.281 1.00 0.00 O ATOM 353 OE2 GLU A 23 -4.998 -8.483 -8.288 1.00 0.00 O ATOM 0 H GLU A 23 -0.260 -9.414 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.640 -6.740 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.287 -8.587 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.811 -6.997 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.621 -7.759 -8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.205 -9.363 -7.733 1.00 0.00 H new ATOM 360 N LEU A 24 -0.129 -7.481 -3.966 1.00 0.00 N ATOM 361 CA LEU A 24 0.269 -7.084 -2.651 1.00 0.00 C ATOM 362 C LEU A 24 1.374 -6.090 -2.555 1.00 0.00 C ATOM 363 O LEU A 24 1.468 -5.308 -1.611 1.00 0.00 O ATOM 364 CB LEU A 24 0.669 -8.405 -1.974 1.00 0.00 C ATOM 365 CG LEU A 24 0.856 -8.403 -0.447 1.00 0.00 C ATOM 366 CD1 LEU A 24 -0.394 -7.881 0.283 1.00 0.00 C ATOM 367 CD2 LEU A 24 1.170 -9.837 0.012 1.00 0.00 C ATOM 0 H LEU A 24 -0.238 -8.494 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.555 -6.549 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.090 -9.149 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.602 -8.743 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 24 1.679 -7.733 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.220 -7.896 1.359 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.602 -6.860 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.247 -8.517 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.305 -9.851 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.344 -10.495 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.083 -10.182 -0.473 1.00 0.00 H new ATOM 379 N LEU A 25 2.256 -6.063 -3.571 1.00 0.00 N ATOM 380 CA LEU A 25 3.367 -5.179 -3.745 1.00 0.00 C ATOM 381 C LEU A 25 2.979 -3.837 -4.264 1.00 0.00 C ATOM 382 O LEU A 25 3.332 -2.792 -3.720 1.00 0.00 O ATOM 383 CB LEU A 25 4.312 -5.877 -4.738 1.00 0.00 C ATOM 384 CG LEU A 25 4.752 -7.283 -4.297 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.639 -7.922 -5.378 1.00 0.00 C ATOM 386 CD2 LEU A 25 5.447 -7.276 -2.925 1.00 0.00 C ATOM 0 H LEU A 25 2.182 -6.725 -4.343 1.00 0.00 H new ATOM 0 HA LEU A 25 3.835 -4.989 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.817 -5.949 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.198 -5.257 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 25 3.855 -7.891 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.945 -8.917 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.079 -7.999 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.523 -7.304 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.738 -8.292 -2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.334 -6.644 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.762 -6.886 -2.172 1.00 0.00 H new ATOM 398 N GLU A 26 2.180 -3.799 -5.345 1.00 0.00 N ATOM 399 CA GLU A 26 1.567 -2.622 -5.878 1.00 0.00 C ATOM 400 C GLU A 26 0.564 -2.022 -4.953 1.00 0.00 C ATOM 401 O GLU A 26 0.494 -0.810 -4.763 1.00 0.00 O ATOM 402 CB GLU A 26 0.925 -2.970 -7.232 1.00 0.00 C ATOM 403 CG GLU A 26 0.197 -1.818 -7.928 1.00 0.00 C ATOM 404 CD GLU A 26 -0.172 -2.175 -9.360 1.00 0.00 C ATOM 405 OE1 GLU A 26 -0.619 -3.326 -9.614 1.00 0.00 O ATOM 406 OE2 GLU A 26 0.020 -1.322 -10.267 1.00 0.00 O ATOM 0 H GLU A 26 1.949 -4.638 -5.877 1.00 0.00 H new ATOM 0 HA GLU A 26 2.341 -1.866 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.703 -3.342 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.218 -3.786 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.705 -1.567 -7.371 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.831 -0.931 -7.925 1.00 0.00 H new ATOM 413 N LEU A 27 -0.229 -2.871 -4.276 1.00 0.00 N ATOM 414 CA LEU A 27 -1.192 -2.505 -3.285 1.00 0.00 C ATOM 415 C LEU A 27 -0.546 -1.969 -2.054 1.00 0.00 C ATOM 416 O LEU A 27 -1.120 -1.105 -1.393 1.00 0.00 O ATOM 417 CB LEU A 27 -2.151 -3.666 -2.973 1.00 0.00 C ATOM 418 CG LEU A 27 -3.377 -3.809 -3.890 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.360 -2.640 -3.703 1.00 0.00 C ATOM 420 CD2 LEU A 27 -3.057 -3.959 -5.386 1.00 0.00 C ATOM 0 H LEU A 27 -0.195 -3.878 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.792 -1.696 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.585 -4.596 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.503 -3.551 -1.948 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.833 -4.747 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.214 -2.773 -4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.704 -2.616 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.859 -1.702 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.986 -4.053 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.511 -3.081 -5.731 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.447 -4.849 -5.540 1.00 0.00 H new ATOM 432 N TYR A 28 0.684 -2.392 -1.712 1.00 0.00 N ATOM 433 CA TYR A 28 1.535 -1.762 -0.751 1.00 0.00 C ATOM 434 C TYR A 28 1.845 -0.357 -1.134 1.00 0.00 C ATOM 435 O TYR A 28 1.562 0.550 -0.352 1.00 0.00 O ATOM 436 CB TYR A 28 2.798 -2.595 -0.474 1.00 0.00 C ATOM 437 CG TYR A 28 3.954 -1.940 0.201 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.814 -1.142 -0.514 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.224 -2.165 1.530 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.878 -0.510 0.086 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.342 -1.624 2.120 1.00 0.00 C ATOM 442 CZ TYR A 28 6.167 -0.793 1.400 1.00 0.00 C ATOM 443 OH TYR A 28 7.322 -0.266 2.015 1.00 0.00 O ATOM 0 H TYR A 28 1.108 -3.220 -2.130 1.00 0.00 H new ATOM 0 HA TYR A 28 0.989 -1.714 0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.503 -3.451 0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.151 -2.987 -1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.651 -1.008 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.551 -2.773 2.117 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.478 0.198 -0.467 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.572 -1.852 3.150 1.00 0.00 H new ATOM 0 HH TYR A 28 7.336 0.708 1.905 1.00 0.00 H new ATOM 453 N ALA A 29 2.407 -0.103 -2.330 1.00 0.00 N ATOM 454 CA ALA A 29 2.829 1.189 -2.772 1.00 0.00 C ATOM 455 C ALA A 29 1.787 2.247 -2.663 1.00 0.00 C ATOM 456 O ALA A 29 2.050 3.343 -2.169 1.00 0.00 O ATOM 457 CB ALA A 29 3.349 1.088 -4.217 1.00 0.00 C ATOM 0 H ALA A 29 2.575 -0.834 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 29 3.626 1.503 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.672 2.072 -4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.191 0.397 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.553 0.723 -4.866 1.00 0.00 H new ATOM 463 N LEU A 30 0.536 1.962 -3.067 1.00 0.00 N ATOM 464 CA LEU A 30 -0.542 2.888 -2.904 1.00 0.00 C ATOM 465 C LEU A 30 -1.054 3.038 -1.514 1.00 0.00 C ATOM 466 O LEU A 30 -1.340 4.141 -1.049 1.00 0.00 O ATOM 467 CB LEU A 30 -1.745 2.505 -3.783 1.00 0.00 C ATOM 468 CG LEU A 30 -1.574 2.944 -5.247 1.00 0.00 C ATOM 469 CD1 LEU A 30 -0.980 1.838 -6.135 1.00 0.00 C ATOM 470 CD2 LEU A 30 -2.959 3.360 -5.771 1.00 0.00 C ATOM 0 H LEU A 30 0.270 1.083 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.097 3.838 -3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.887 1.425 -3.746 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.648 2.960 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.868 3.773 -5.285 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.882 2.205 -7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.002 1.555 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.638 0.969 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.874 3.678 -6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.642 2.513 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.343 4.184 -5.169 1.00 0.00 H new ATOM 482 N TYR A 31 -1.202 1.929 -0.767 1.00 0.00 N ATOM 483 CA TYR A 31 -1.660 1.971 0.587 1.00 0.00 C ATOM 484 C TYR A 31 -0.720 2.740 1.450 1.00 0.00 C ATOM 485 O TYR A 31 -1.094 3.679 2.150 1.00 0.00 O ATOM 486 CB TYR A 31 -1.918 0.561 1.143 1.00 0.00 C ATOM 487 CG TYR A 31 -2.344 0.612 2.571 1.00 0.00 C ATOM 488 CD1 TYR A 31 -3.452 1.314 2.982 1.00 0.00 C ATOM 489 CD2 TYR A 31 -1.512 0.050 3.509 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.800 1.344 4.312 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.828 0.128 4.845 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.994 0.737 5.246 1.00 0.00 C ATOM 493 OH TYR A 31 -3.358 0.755 6.609 1.00 0.00 O ATOM 0 H TYR A 31 -1.001 0.989 -1.108 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.615 2.496 0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.688 0.069 0.549 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.013 -0.039 1.052 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.052 1.844 2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.609 -0.453 3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.706 1.844 4.623 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.158 -0.290 5.582 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.681 0.281 7.135 1.00 0.00 H new ATOM 503 N LYS A 32 0.586 2.421 1.395 1.00 0.00 N ATOM 504 CA LYS A 32 1.629 3.200 1.989 1.00 0.00 C ATOM 505 C LYS A 32 1.655 4.608 1.501 1.00 0.00 C ATOM 506 O LYS A 32 1.817 5.509 2.323 1.00 0.00 O ATOM 507 CB LYS A 32 2.995 2.514 1.827 1.00 0.00 C ATOM 508 CG LYS A 32 3.105 1.169 2.546 1.00 0.00 C ATOM 509 CD LYS A 32 2.875 1.193 4.060 1.00 0.00 C ATOM 510 CE LYS A 32 3.670 2.286 4.776 1.00 0.00 C ATOM 511 NZ LYS A 32 3.750 2.039 6.233 1.00 0.00 N ATOM 0 H LYS A 32 0.929 1.587 0.918 1.00 0.00 H new ATOM 0 HA LYS A 32 1.406 3.258 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.191 2.364 0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.771 3.180 2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.385 0.482 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.097 0.759 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.813 1.338 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.147 0.223 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.676 2.336 4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.202 3.254 4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.296 2.800 6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.791 2.016 6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.219 1.127 6.405 1.00 0.00 H new ATOM 525 N GLN A 33 1.408 4.881 0.209 1.00 0.00 N ATOM 526 CA GLN A 33 1.340 6.218 -0.296 1.00 0.00 C ATOM 527 C GLN A 33 0.418 7.119 0.452 1.00 0.00 C ATOM 528 O GLN A 33 0.865 8.131 0.989 1.00 0.00 O ATOM 529 CB GLN A 33 0.897 6.318 -1.764 1.00 0.00 C ATOM 530 CG GLN A 33 2.014 6.404 -2.806 1.00 0.00 C ATOM 531 CD GLN A 33 1.413 6.170 -4.185 1.00 0.00 C ATOM 532 OE1 GLN A 33 0.635 6.980 -4.686 1.00 0.00 O ATOM 533 NE2 GLN A 33 1.752 5.011 -4.811 1.00 0.00 N ATOM 0 H GLN A 33 1.253 4.162 -0.498 1.00 0.00 H new ATOM 0 HA GLN A 33 2.375 6.537 -0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.280 5.449 -1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.262 7.197 -1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.495 7.381 -2.764 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.783 5.660 -2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.401 4.362 -4.366 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.358 4.791 -5.726 1.00 0.00 H new ATOM 542 N ALA A 34 -0.894 6.828 0.506 1.00 0.00 N ATOM 543 CA ALA A 34 -1.774 7.739 1.169 1.00 0.00 C ATOM 544 C ALA A 34 -1.903 7.487 2.631 1.00 0.00 C ATOM 545 O ALA A 34 -2.364 8.373 3.351 1.00 0.00 O ATOM 546 CB ALA A 34 -3.128 7.952 0.470 1.00 0.00 C ATOM 0 H ALA A 34 -1.332 5.997 0.108 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.269 8.700 1.077 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.727 8.658 1.045 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.962 8.349 -0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.655 7.001 0.401 1.00 0.00 H new ATOM 552 N THR A 35 -1.447 6.341 3.166 1.00 0.00 N ATOM 553 CA THR A 35 -1.381 6.147 4.581 1.00 0.00 C ATOM 554 C THR A 35 -0.413 7.068 5.240 1.00 0.00 C ATOM 555 O THR A 35 -0.789 7.858 6.106 1.00 0.00 O ATOM 556 CB THR A 35 -1.086 4.736 4.996 1.00 0.00 C ATOM 557 OG1 THR A 35 -2.138 3.894 4.548 1.00 0.00 O ATOM 558 CG2 THR A 35 -1.103 4.587 6.527 1.00 0.00 C ATOM 0 H THR A 35 -1.123 5.545 2.616 1.00 0.00 H new ATOM 0 HA THR A 35 -2.389 6.382 4.922 1.00 0.00 H new ATOM 0 HB THR A 35 -0.111 4.478 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.976 3.636 3.617 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.886 3.553 6.794 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.349 5.241 6.965 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.087 4.861 6.908 1.00 0.00 H new ATOM 566 N VAL A 36 0.878 7.034 4.865 1.00 0.00 N ATOM 567 CA VAL A 36 1.866 7.907 5.420 1.00 0.00 C ATOM 568 C VAL A 36 2.000 9.211 4.711 1.00 0.00 C ATOM 569 O VAL A 36 2.312 10.234 5.318 1.00 0.00 O ATOM 570 CB VAL A 36 3.199 7.258 5.645 1.00 0.00 C ATOM 571 CG1 VAL A 36 3.092 6.331 6.868 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.667 6.434 4.433 1.00 0.00 C ATOM 0 H VAL A 36 1.243 6.389 4.164 1.00 0.00 H new ATOM 0 HA VAL A 36 1.467 8.140 6.407 1.00 0.00 H new ATOM 0 HB VAL A 36 3.932 8.048 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.054 5.851 7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.811 6.915 7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.335 5.569 6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.637 5.986 4.650 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.942 5.647 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.754 7.084 3.563 1.00 0.00 H new ATOM 582 N GLY A 37 1.763 9.271 3.389 1.00 0.00 N ATOM 583 CA GLY A 37 1.662 10.490 2.647 1.00 0.00 C ATOM 584 C GLY A 37 2.883 10.920 1.910 1.00 0.00 C ATOM 585 O GLY A 37 2.830 11.886 1.151 1.00 0.00 O ATOM 0 H GLY A 37 1.637 8.438 2.814 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.848 10.387 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.380 11.287 3.335 1.00 0.00 H new ATOM 589 N ASP A 38 4.015 10.217 2.100 1.00 0.00 N ATOM 590 CA ASP A 38 5.238 10.464 1.400 1.00 0.00 C ATOM 591 C ASP A 38 5.865 9.135 1.157 1.00 0.00 C ATOM 592 O ASP A 38 5.447 8.129 1.728 1.00 0.00 O ATOM 593 CB ASP A 38 6.227 11.264 2.264 1.00 0.00 C ATOM 594 CG ASP A 38 5.713 12.647 2.640 1.00 0.00 C ATOM 595 OD1 ASP A 38 5.639 13.538 1.753 1.00 0.00 O ATOM 596 OD2 ASP A 38 5.438 12.890 3.845 1.00 0.00 O ATOM 0 H ASP A 38 4.081 9.448 2.766 1.00 0.00 H new ATOM 0 HA ASP A 38 5.023 11.023 0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.441 10.703 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.169 11.368 1.725 1.00 0.00 H new ATOM 601 N ASN A 39 6.957 9.081 0.373 1.00 0.00 N ATOM 602 CA ASN A 39 7.951 8.058 0.482 1.00 0.00 C ATOM 603 C ASN A 39 8.628 8.029 1.808 1.00 0.00 C ATOM 604 O ASN A 39 9.604 8.732 2.064 1.00 0.00 O ATOM 605 CB ASN A 39 8.987 8.112 -0.654 1.00 0.00 C ATOM 606 CG ASN A 39 9.754 9.421 -0.777 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.259 10.519 -0.526 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.036 9.338 -1.221 1.00 0.00 N ATOM 0 H ASN A 39 7.154 9.767 -0.356 1.00 0.00 H new ATOM 0 HA ASN A 39 7.397 7.124 0.385 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.703 7.303 -0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.477 7.920 -1.598 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.588 10.186 -1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.446 8.427 -1.429 1.00 0.00 H new ATOM 615 N ASP A 40 8.122 7.218 2.753 1.00 0.00 N ATOM 616 CA ASP A 40 8.442 7.347 4.141 1.00 0.00 C ATOM 617 C ASP A 40 9.690 6.648 4.558 1.00 0.00 C ATOM 618 O ASP A 40 10.646 7.284 4.996 1.00 0.00 O ATOM 619 CB ASP A 40 7.201 6.890 4.927 1.00 0.00 C ATOM 620 CG ASP A 40 7.268 7.134 6.428 1.00 0.00 C ATOM 621 OD1 ASP A 40 7.568 8.286 6.842 1.00 0.00 O ATOM 622 OD2 ASP A 40 6.965 6.180 7.193 1.00 0.00 O ATOM 0 H ASP A 40 7.476 6.455 2.549 1.00 0.00 H new ATOM 0 HA ASP A 40 8.677 8.389 4.360 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.327 7.405 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.051 5.825 4.753 1.00 0.00 H new ATOM 627 N LYS A 41 9.755 5.307 4.476 1.00 0.00 N ATOM 628 CA LYS A 41 10.841 4.567 5.040 1.00 0.00 C ATOM 629 C LYS A 41 11.956 4.384 4.068 1.00 0.00 C ATOM 630 O LYS A 41 12.103 3.320 3.469 1.00 0.00 O ATOM 631 CB LYS A 41 10.349 3.174 5.463 1.00 0.00 C ATOM 632 CG LYS A 41 9.187 3.186 6.459 1.00 0.00 C ATOM 633 CD LYS A 41 8.781 1.790 6.934 1.00 0.00 C ATOM 634 CE LYS A 41 8.346 0.841 5.816 1.00 0.00 C ATOM 635 NZ LYS A 41 9.368 -0.187 5.518 1.00 0.00 N ATOM 0 H LYS A 41 9.050 4.732 4.015 1.00 0.00 H new ATOM 0 HA LYS A 41 11.208 5.134 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.042 2.625 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.182 2.627 5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.465 3.789 7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.326 3.669 5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.620 1.343 7.467 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.964 1.887 7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.415 0.351 6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.140 1.417 4.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.026 -0.805 4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.250 0.277 5.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.547 -0.756 6.370 1.00 0.00 H new ATOM 649 N GLU A 42 12.827 5.398 3.912 1.00 0.00 N ATOM 650 CA GLU A 42 13.776 5.564 2.856 1.00 0.00 C ATOM 651 C GLU A 42 14.957 4.657 2.875 1.00 0.00 C ATOM 652 O GLU A 42 16.000 4.916 2.278 1.00 0.00 O ATOM 653 CB GLU A 42 14.231 7.033 2.889 1.00 0.00 C ATOM 654 CG GLU A 42 14.687 7.635 1.558 1.00 0.00 C ATOM 655 CD GLU A 42 15.455 8.930 1.772 1.00 0.00 C ATOM 656 OE1 GLU A 42 14.911 9.881 2.393 1.00 0.00 O ATOM 657 OE2 GLU A 42 16.639 9.000 1.346 1.00 0.00 O ATOM 0 H GLU A 42 12.869 6.165 4.583 1.00 0.00 H new ATOM 0 HA GLU A 42 13.268 5.289 1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.409 7.637 3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.051 7.121 3.602 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.317 6.919 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.820 7.824 0.926 1.00 0.00 H new ATOM 664 N LYS A 43 14.831 3.510 3.568 1.00 0.00 N ATOM 665 CA LYS A 43 15.838 2.515 3.764 1.00 0.00 C ATOM 666 C LYS A 43 15.140 1.204 3.890 1.00 0.00 C ATOM 667 O LYS A 43 14.649 0.867 4.966 1.00 0.00 O ATOM 668 CB LYS A 43 16.732 2.778 4.986 1.00 0.00 C ATOM 669 CG LYS A 43 17.678 3.958 4.753 1.00 0.00 C ATOM 670 CD LYS A 43 18.622 4.266 5.918 1.00 0.00 C ATOM 671 CE LYS A 43 19.534 5.468 5.667 1.00 0.00 C ATOM 672 NZ LYS A 43 18.735 6.676 5.361 1.00 0.00 N ATOM 0 H LYS A 43 13.954 3.261 4.026 1.00 0.00 H new ATOM 0 HA LYS A 43 16.517 2.529 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 43 16.108 2.979 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 43 17.314 1.884 5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 43 18.275 3.756 3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 43 17.083 4.846 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.030 4.451 6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 43 19.238 3.389 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 43 20.155 5.649 6.544 1.00 0.00 H new ATOM 0 HE3 LYS A 43 20.208 5.252 4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.341 7.519 5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.349 6.602 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.953 6.757 6.042 1.00 0.00 H new ATOM 686 N PRO A 44 15.009 0.423 2.860 1.00 0.00 N ATOM 687 CA PRO A 44 14.677 -0.966 2.978 1.00 0.00 C ATOM 688 C PRO A 44 15.856 -1.756 3.431 1.00 0.00 C ATOM 689 O PRO A 44 16.918 -1.186 3.678 1.00 0.00 O ATOM 690 CB PRO A 44 14.208 -1.336 1.573 1.00 0.00 C ATOM 691 CG PRO A 44 14.991 -0.405 0.632 1.00 0.00 C ATOM 692 CD PRO A 44 15.125 0.870 1.479 1.00 0.00 C ATOM 0 HA PRO A 44 13.912 -1.176 3.725 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.413 -2.383 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.133 -1.192 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.963 -0.820 0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.455 -0.221 -0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 44 16.082 1.361 1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.346 1.591 1.231 1.00 0.00 H new ATOM 700 N GLY A 45 15.744 -3.088 3.581 1.00 0.00 N ATOM 701 CA GLY A 45 16.811 -3.897 4.083 1.00 0.00 C ATOM 702 C GLY A 45 17.942 -4.058 3.126 1.00 0.00 C ATOM 703 O GLY A 45 17.946 -3.541 2.009 1.00 0.00 O ATOM 0 H GLY A 45 14.900 -3.612 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 45 17.187 -3.455 5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.420 -4.882 4.338 1.00 0.00 H new ATOM 707 N ILE A 46 18.975 -4.810 3.547 1.00 0.00 N ATOM 708 CA ILE A 46 20.253 -4.841 2.905 1.00 0.00 C ATOM 709 C ILE A 46 20.275 -5.998 1.968 1.00 0.00 C ATOM 710 O ILE A 46 20.652 -5.893 0.802 1.00 0.00 O ATOM 711 CB ILE A 46 21.401 -4.806 3.871 1.00 0.00 C ATOM 712 CG1 ILE A 46 21.653 -6.091 4.676 1.00 0.00 C ATOM 713 CG2 ILE A 46 21.153 -3.628 4.827 1.00 0.00 C ATOM 714 CD1 ILE A 46 22.839 -6.008 5.636 1.00 0.00 C ATOM 0 H ILE A 46 18.918 -5.418 4.364 1.00 0.00 H new ATOM 0 HA ILE A 46 20.395 -3.928 2.327 1.00 0.00 H new ATOM 0 HB ILE A 46 22.307 -4.696 3.275 1.00 0.00 H new ATOM 0 HG12 ILE A 46 20.755 -6.331 5.246 1.00 0.00 H new ATOM 0 HG13 ILE A 46 21.819 -6.914 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 46 21.968 -3.567 5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 46 21.103 -2.701 4.256 1.00 0.00 H new ATOM 0 HG23 ILE A 46 20.212 -3.780 5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 46 22.947 -6.956 6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 46 23.749 -5.801 5.073 1.00 0.00 H new ATOM 0 HD13 ILE A 46 22.668 -5.208 6.357 1.00 0.00 H new ATOM 726 N PHE A 47 19.772 -7.149 2.450 1.00 0.00 N ATOM 727 CA PHE A 47 19.536 -8.339 1.693 1.00 0.00 C ATOM 728 C PHE A 47 18.083 -8.462 1.386 1.00 0.00 C ATOM 729 O PHE A 47 17.650 -9.494 0.876 1.00 0.00 O ATOM 730 CB PHE A 47 20.094 -9.589 2.392 1.00 0.00 C ATOM 731 CG PHE A 47 19.821 -9.642 3.857 1.00 0.00 C ATOM 732 CD1 PHE A 47 18.565 -9.917 4.344 1.00 0.00 C ATOM 733 CD2 PHE A 47 20.842 -9.400 4.746 1.00 0.00 C ATOM 734 CE1 PHE A 47 18.317 -9.891 5.697 1.00 0.00 C ATOM 735 CE2 PHE A 47 20.601 -9.348 6.099 1.00 0.00 C ATOM 736 CZ PHE A 47 19.330 -9.576 6.572 1.00 0.00 C ATOM 0 H PHE A 47 19.514 -7.254 3.431 1.00 0.00 H new ATOM 0 HA PHE A 47 20.078 -8.262 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.668 -10.475 1.922 1.00 0.00 H new ATOM 0 HB3 PHE A 47 21.171 -9.630 2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 47 17.766 -10.156 3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 47 21.846 -9.249 4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 47 17.329 -10.117 6.071 1.00 0.00 H new ATOM 0 HE2 PHE A 47 21.405 -9.129 6.786 1.00 0.00 H new ATOM 0 HZ PHE A 47 19.127 -9.508 7.631 1.00 0.00 H new ATOM 746 N ASN A 48 17.271 -7.422 1.648 1.00 0.00 N ATOM 747 CA ASN A 48 15.871 -7.438 1.363 1.00 0.00 C ATOM 748 C ASN A 48 15.618 -7.260 -0.095 1.00 0.00 C ATOM 749 O ASN A 48 15.432 -6.152 -0.596 1.00 0.00 O ATOM 750 CB ASN A 48 15.027 -6.466 2.204 1.00 0.00 C ATOM 751 CG ASN A 48 13.602 -6.996 2.290 1.00 0.00 C ATOM 752 OD1 ASN A 48 12.920 -7.181 1.284 1.00 0.00 O ATOM 753 ND2 ASN A 48 13.139 -7.296 3.532 1.00 0.00 N ATOM 0 H ASN A 48 17.595 -6.551 2.067 1.00 0.00 H new ATOM 0 HA ASN A 48 15.532 -8.429 1.664 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.452 -6.365 3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.033 -5.474 1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.203 -7.685 3.647 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.727 -7.132 4.349 1.00 0.00 H new ATOM 760 N MET A 49 15.622 -8.378 -0.842 1.00 0.00 N ATOM 761 CA MET A 49 15.606 -8.427 -2.271 1.00 0.00 C ATOM 762 C MET A 49 14.295 -8.013 -2.846 1.00 0.00 C ATOM 763 O MET A 49 14.209 -7.517 -3.968 1.00 0.00 O ATOM 764 CB MET A 49 15.983 -9.855 -2.699 1.00 0.00 C ATOM 765 CG MET A 49 16.310 -10.043 -4.181 1.00 0.00 C ATOM 766 SD MET A 49 17.734 -9.073 -4.760 1.00 0.00 S ATOM 767 CE MET A 49 17.798 -9.931 -6.359 1.00 0.00 C ATOM 0 H MET A 49 15.637 -9.307 -0.420 1.00 0.00 H new ATOM 0 HA MET A 49 16.330 -7.711 -2.660 1.00 0.00 H new ATOM 0 HB2 MET A 49 16.845 -10.174 -2.113 1.00 0.00 H new ATOM 0 HB3 MET A 49 15.159 -10.520 -2.441 1.00 0.00 H new ATOM 0 HG2 MET A 49 16.505 -11.099 -4.367 1.00 0.00 H new ATOM 0 HG3 MET A 49 15.435 -9.771 -4.772 1.00 0.00 H new ATOM 0 HE1 MET A 49 18.615 -9.527 -6.956 1.00 0.00 H new ATOM 0 HE2 MET A 49 17.962 -10.996 -6.194 1.00 0.00 H new ATOM 0 HE3 MET A 49 16.856 -9.786 -6.888 1.00 0.00 H new ATOM 777 N LYS A 50 13.194 -8.174 -2.089 1.00 0.00 N ATOM 778 CA LYS A 50 11.908 -7.673 -2.461 1.00 0.00 C ATOM 779 C LYS A 50 11.811 -6.198 -2.269 1.00 0.00 C ATOM 780 O LYS A 50 11.573 -5.455 -3.221 1.00 0.00 O ATOM 781 CB LYS A 50 10.790 -8.394 -1.690 1.00 0.00 C ATOM 782 CG LYS A 50 10.758 -9.911 -1.887 1.00 0.00 C ATOM 783 CD LYS A 50 9.486 -10.437 -2.554 1.00 0.00 C ATOM 784 CE LYS A 50 9.367 -10.204 -4.062 1.00 0.00 C ATOM 785 NZ LYS A 50 10.326 -11.037 -4.820 1.00 0.00 N ATOM 0 H LYS A 50 13.199 -8.665 -1.195 1.00 0.00 H new ATOM 0 HA LYS A 50 11.780 -7.876 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.904 -8.181 -0.627 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.829 -7.980 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.617 -10.205 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.870 -10.393 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.419 -11.509 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.628 -9.974 -2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.352 -10.431 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.545 -9.152 -4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.194 -10.878 -5.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.297 -10.779 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.162 -12.041 -4.602 1.00 0.00 H new ATOM 799 N ASP A 51 12.023 -5.693 -1.041 1.00 0.00 N ATOM 800 CA ASP A 51 11.845 -4.314 -0.708 1.00 0.00 C ATOM 801 C ASP A 51 12.765 -3.379 -1.414 1.00 0.00 C ATOM 802 O ASP A 51 12.385 -2.247 -1.706 1.00 0.00 O ATOM 803 CB ASP A 51 11.957 -4.066 0.807 1.00 0.00 C ATOM 804 CG ASP A 51 10.761 -4.609 1.575 1.00 0.00 C ATOM 805 OD1 ASP A 51 9.771 -5.090 0.961 1.00 0.00 O ATOM 806 OD2 ASP A 51 10.799 -4.539 2.833 1.00 0.00 O ATOM 0 H ASP A 51 12.329 -6.264 -0.253 1.00 0.00 H new ATOM 0 HA ASP A 51 10.834 -4.096 -1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 51 12.868 -4.532 1.182 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.048 -2.996 0.991 1.00 0.00 H new ATOM 811 N ARG A 52 13.991 -3.797 -1.778 1.00 0.00 N ATOM 812 CA ARG A 52 14.864 -3.037 -2.618 1.00 0.00 C ATOM 813 C ARG A 52 14.278 -2.609 -3.920 1.00 0.00 C ATOM 814 O ARG A 52 14.546 -1.502 -4.386 1.00 0.00 O ATOM 815 CB ARG A 52 16.193 -3.779 -2.839 1.00 0.00 C ATOM 816 CG ARG A 52 17.143 -3.643 -1.646 1.00 0.00 C ATOM 817 CD ARG A 52 17.936 -2.335 -1.648 1.00 0.00 C ATOM 818 NE ARG A 52 18.401 -2.086 -0.254 1.00 0.00 N ATOM 819 CZ ARG A 52 18.917 -0.892 0.159 1.00 0.00 C ATOM 820 NH1 ARG A 52 19.390 0.033 -0.727 1.00 0.00 N ATOM 821 NH2 ARG A 52 18.904 -0.594 1.491 1.00 0.00 N ATOM 0 H ARG A 52 14.386 -4.689 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 52 15.042 -2.111 -2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 52 15.991 -4.835 -3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 52 16.679 -3.389 -3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 52 16.567 -3.709 -0.723 1.00 0.00 H new ATOM 0 HG3 ARG A 52 17.839 -4.482 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.785 -2.403 -2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.314 -1.511 -1.997 1.00 0.00 H new ATOM 0 HE ARG A 52 18.330 -2.845 0.424 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.363 -0.160 -1.728 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.770 0.917 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.513 -1.259 2.159 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.285 0.294 1.819 1.00 0.00 H new ATOM 835 N TYR A 53 13.421 -3.427 -4.556 1.00 0.00 N ATOM 836 CA TYR A 53 12.711 -3.038 -5.736 1.00 0.00 C ATOM 837 C TYR A 53 11.427 -2.355 -5.413 1.00 0.00 C ATOM 838 O TYR A 53 11.073 -1.326 -5.988 1.00 0.00 O ATOM 839 CB TYR A 53 12.385 -4.250 -6.624 1.00 0.00 C ATOM 840 CG TYR A 53 13.606 -5.007 -7.023 1.00 0.00 C ATOM 841 CD1 TYR A 53 14.694 -4.382 -7.587 1.00 0.00 C ATOM 842 CD2 TYR A 53 13.634 -6.369 -6.846 1.00 0.00 C ATOM 843 CE1 TYR A 53 15.807 -5.105 -7.944 1.00 0.00 C ATOM 844 CE2 TYR A 53 14.734 -7.105 -7.218 1.00 0.00 C ATOM 845 CZ TYR A 53 15.824 -6.468 -7.761 1.00 0.00 C ATOM 846 OH TYR A 53 16.966 -7.216 -8.119 1.00 0.00 O ATOM 0 H TYR A 53 13.217 -4.377 -4.245 1.00 0.00 H new ATOM 0 HA TYR A 53 13.371 -2.351 -6.266 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.706 -4.916 -6.091 1.00 0.00 H new ATOM 0 HB3 TYR A 53 11.862 -3.911 -7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 53 14.673 -3.315 -7.751 1.00 0.00 H new ATOM 0 HD2 TYR A 53 12.781 -6.868 -6.409 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.665 -4.604 -8.367 1.00 0.00 H new ATOM 0 HE2 TYR A 53 14.741 -8.177 -7.084 1.00 0.00 H new ATOM 0 HH TYR A 53 17.766 -6.659 -8.019 1.00 0.00 H new ATOM 856 N LYS A 54 10.624 -2.914 -4.490 1.00 0.00 N ATOM 857 CA LYS A 54 9.276 -2.475 -4.310 1.00 0.00 C ATOM 858 C LYS A 54 9.142 -1.249 -3.474 1.00 0.00 C ATOM 859 O LYS A 54 8.136 -0.546 -3.567 1.00 0.00 O ATOM 860 CB LYS A 54 8.322 -3.598 -3.867 1.00 0.00 C ATOM 861 CG LYS A 54 8.487 -4.945 -4.573 1.00 0.00 C ATOM 862 CD LYS A 54 8.635 -4.981 -6.096 1.00 0.00 C ATOM 863 CE LYS A 54 7.374 -4.718 -6.920 1.00 0.00 C ATOM 864 NZ LYS A 54 7.635 -4.998 -8.349 1.00 0.00 N ATOM 0 H LYS A 54 10.909 -3.671 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 54 8.954 -2.179 -5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.452 -3.755 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.298 -3.256 -4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.364 -5.432 -4.147 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.624 -5.558 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.386 -4.245 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.025 -5.960 -6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.558 -5.345 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.058 -3.682 -6.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.773 -4.817 -8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.400 -4.382 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.916 -5.993 -8.462 1.00 0.00 H new ATOM 878 N TRP A 55 10.166 -0.855 -2.698 1.00 0.00 N ATOM 879 CA TRP A 55 10.248 0.452 -2.124 1.00 0.00 C ATOM 880 C TRP A 55 10.537 1.472 -3.171 1.00 0.00 C ATOM 881 O TRP A 55 10.032 2.592 -3.123 1.00 0.00 O ATOM 882 CB TRP A 55 11.231 0.534 -0.945 1.00 0.00 C ATOM 883 CG TRP A 55 11.024 1.723 -0.038 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.232 1.845 1.067 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.531 3.044 -0.307 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.062 3.165 1.390 1.00 0.00 N ATOM 887 CE2 TRP A 55 10.877 3.913 0.575 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.424 3.527 -1.224 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.095 5.263 0.532 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.646 4.884 -1.248 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.000 5.739 -0.388 1.00 0.00 C ATOM 0 H TRP A 55 10.955 -1.458 -2.464 1.00 0.00 H new ATOM 0 HA TRP A 55 9.269 0.674 -1.699 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.146 -0.377 -0.353 1.00 0.00 H new ATOM 0 HB3 TRP A 55 12.247 0.565 -1.337 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.800 1.017 1.610 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.439 3.530 2.110 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.937 2.865 -1.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 10.573 5.933 1.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.347 5.289 -1.963 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.205 6.798 -0.435 1.00 0.00 H new ATOM 902 N GLU A 56 11.279 1.127 -4.238 1.00 0.00 N ATOM 903 CA GLU A 56 11.451 1.979 -5.374 1.00 0.00 C ATOM 904 C GLU A 56 10.207 2.102 -6.185 1.00 0.00 C ATOM 905 O GLU A 56 9.928 3.145 -6.772 1.00 0.00 O ATOM 906 CB GLU A 56 12.671 1.648 -6.249 1.00 0.00 C ATOM 907 CG GLU A 56 13.983 1.911 -5.508 1.00 0.00 C ATOM 908 CD GLU A 56 15.191 2.162 -6.399 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.204 1.805 -7.607 1.00 0.00 O ATOM 910 OE2 GLU A 56 16.165 2.770 -5.878 1.00 0.00 O ATOM 0 H GLU A 56 11.770 0.236 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 56 11.668 2.957 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.628 0.602 -6.554 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.640 2.247 -7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.847 2.774 -4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.197 1.057 -4.866 1.00 0.00 H new ATOM 917 N ALA A 57 9.338 1.074 -6.176 1.00 0.00 N ATOM 918 CA ALA A 57 8.024 1.153 -6.732 1.00 0.00 C ATOM 919 C ALA A 57 7.108 2.050 -5.973 1.00 0.00 C ATOM 920 O ALA A 57 6.102 2.511 -6.511 1.00 0.00 O ATOM 921 CB ALA A 57 7.395 -0.244 -6.863 1.00 0.00 C ATOM 0 H ALA A 57 9.556 0.164 -5.771 1.00 0.00 H new ATOM 0 HA ALA A 57 8.151 1.593 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.396 -0.155 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.013 -0.862 -7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.330 -0.707 -5.879 1.00 0.00 H new ATOM 927 N TRP A 58 7.446 2.368 -4.710 1.00 0.00 N ATOM 928 CA TRP A 58 6.738 3.258 -3.842 1.00 0.00 C ATOM 929 C TRP A 58 7.226 4.651 -4.038 1.00 0.00 C ATOM 930 O TRP A 58 6.432 5.549 -4.314 1.00 0.00 O ATOM 931 CB TRP A 58 6.816 2.819 -2.369 1.00 0.00 C ATOM 932 CG TRP A 58 6.028 3.634 -1.372 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.051 4.567 -1.572 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.261 3.602 0.048 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.739 5.197 -0.396 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.495 4.634 0.605 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.046 2.794 0.823 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.566 4.885 1.948 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.035 3.006 2.182 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.316 4.042 2.733 1.00 0.00 C ATOM 0 H TRP A 58 8.274 1.974 -4.264 1.00 0.00 H new ATOM 0 HA TRP A 58 5.681 3.224 -4.107 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.478 1.785 -2.305 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.863 2.832 -2.066 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.589 4.779 -2.525 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.063 5.953 -0.283 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.653 2.017 0.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.045 5.726 2.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.600 2.349 2.827 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.341 4.195 3.802 1.00 0.00 H new ATOM 951 N GLU A 59 8.543 4.920 -3.963 1.00 0.00 N ATOM 952 CA GLU A 59 9.132 6.205 -4.178 1.00 0.00 C ATOM 953 C GLU A 59 8.993 6.739 -5.561 1.00 0.00 C ATOM 954 O GLU A 59 9.150 7.935 -5.806 1.00 0.00 O ATOM 955 CB GLU A 59 10.601 6.365 -3.750 1.00 0.00 C ATOM 956 CG GLU A 59 11.624 5.505 -4.495 1.00 0.00 C ATOM 957 CD GLU A 59 12.890 6.244 -4.905 1.00 0.00 C ATOM 958 OE1 GLU A 59 12.915 6.807 -6.031 1.00 0.00 O ATOM 959 OE2 GLU A 59 13.888 6.256 -4.136 1.00 0.00 O ATOM 0 H GLU A 59 9.232 4.202 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 59 8.521 6.798 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.881 7.411 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.674 6.138 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.900 4.661 -3.863 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.153 5.094 -5.388 1.00 0.00 H new ATOM 966 N ASN A 60 8.556 5.904 -6.520 1.00 0.00 N ATOM 967 CA ASN A 60 8.019 6.313 -7.781 1.00 0.00 C ATOM 968 C ASN A 60 6.951 7.345 -7.655 1.00 0.00 C ATOM 969 O ASN A 60 6.871 8.267 -8.464 1.00 0.00 O ATOM 970 CB ASN A 60 7.490 5.028 -8.439 1.00 0.00 C ATOM 971 CG ASN A 60 7.161 5.165 -9.919 1.00 0.00 C ATOM 972 OD1 ASN A 60 6.016 4.999 -10.338 1.00 0.00 O ATOM 973 ND2 ASN A 60 8.200 5.420 -10.757 1.00 0.00 N ATOM 0 H ASN A 60 8.578 4.890 -6.410 1.00 0.00 H new ATOM 0 HA ASN A 60 8.788 6.795 -8.385 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.233 4.240 -8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.594 4.706 -7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.041 5.478 -11.763 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.138 5.553 -10.380 1.00 0.00 H new ATOM 980 N LEU A 61 6.114 7.248 -6.606 1.00 0.00 N ATOM 981 CA LEU A 61 5.088 8.188 -6.273 1.00 0.00 C ATOM 982 C LEU A 61 5.319 8.831 -4.949 1.00 0.00 C ATOM 983 O LEU A 61 4.407 9.076 -4.161 1.00 0.00 O ATOM 984 CB LEU A 61 3.682 7.570 -6.357 1.00 0.00 C ATOM 985 CG LEU A 61 3.028 7.730 -7.740 1.00 0.00 C ATOM 986 CD1 LEU A 61 3.724 6.907 -8.838 1.00 0.00 C ATOM 987 CD2 LEU A 61 1.534 7.369 -7.685 1.00 0.00 C ATOM 0 H LEU A 61 6.157 6.467 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 61 5.141 8.974 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.744 6.510 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.043 8.034 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 61 3.141 8.781 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.214 7.064 -9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.763 7.224 -8.927 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.688 5.849 -8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.094 7.490 -8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.421 6.334 -7.362 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.027 8.027 -6.979 1.00 0.00 H new ATOM 999 N LYS A 62 6.590 9.173 -4.674 1.00 0.00 N ATOM 1000 CA LYS A 62 7.113 9.932 -3.580 1.00 0.00 C ATOM 1001 C LYS A 62 6.392 11.072 -2.948 1.00 0.00 C ATOM 1002 O LYS A 62 6.463 11.187 -1.725 1.00 0.00 O ATOM 1003 CB LYS A 62 8.541 10.386 -3.925 1.00 0.00 C ATOM 1004 CG LYS A 62 8.722 11.121 -5.255 1.00 0.00 C ATOM 1005 CD LYS A 62 10.177 11.017 -5.716 1.00 0.00 C ATOM 1006 CE LYS A 62 10.552 11.777 -6.989 1.00 0.00 C ATOM 1007 NZ LYS A 62 9.939 11.171 -8.191 1.00 0.00 N ATOM 0 H LYS A 62 7.341 8.879 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 62 7.002 9.190 -2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.895 11.036 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.186 9.508 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.061 10.693 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.441 12.168 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.816 11.372 -4.907 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.411 9.963 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.230 12.815 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.636 11.788 -7.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.216 11.714 -9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.265 10.188 -8.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.903 11.184 -8.096 1.00 0.00 H new ATOM 1021 N GLY A 63 5.724 11.976 -3.687 1.00 0.00 N ATOM 1022 CA GLY A 63 5.288 13.218 -3.130 1.00 0.00 C ATOM 1023 C GLY A 63 3.904 13.592 -3.538 1.00 0.00 C ATOM 1024 O GLY A 63 3.276 14.458 -2.930 1.00 0.00 O ATOM 0 H GLY A 63 5.486 11.846 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.335 13.157 -2.043 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.975 14.007 -3.436 1.00 0.00 H new ATOM 1028 N LYS A 64 3.370 12.928 -4.578 1.00 0.00 N ATOM 1029 CA LYS A 64 2.047 13.135 -5.077 1.00 0.00 C ATOM 1030 C LYS A 64 1.160 12.036 -4.601 1.00 0.00 C ATOM 1031 O LYS A 64 0.041 11.795 -5.054 1.00 0.00 O ATOM 1032 CB LYS A 64 2.199 13.218 -6.605 1.00 0.00 C ATOM 1033 CG LYS A 64 0.892 13.479 -7.357 1.00 0.00 C ATOM 1034 CD LYS A 64 1.113 14.095 -8.739 1.00 0.00 C ATOM 1035 CE LYS A 64 -0.166 14.361 -9.535 1.00 0.00 C ATOM 1036 NZ LYS A 64 -0.685 13.119 -10.148 1.00 0.00 N ATOM 0 H LYS A 64 3.884 12.214 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 64 1.573 14.049 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.907 14.012 -6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.632 12.285 -6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.348 12.541 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.264 14.145 -6.764 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.652 15.035 -8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.754 13.431 -9.319 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.923 14.789 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.034 15.097 -10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.003 13.317 -11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.068 12.402 -10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.486 12.764 -9.588 1.00 0.00 H new ATOM 1050 N SER A 65 1.634 11.340 -3.554 1.00 0.00 N ATOM 1051 CA SER A 65 1.066 10.199 -2.906 1.00 0.00 C ATOM 1052 C SER A 65 -0.352 10.332 -2.469 1.00 0.00 C ATOM 1053 O SER A 65 -1.206 9.519 -2.817 1.00 0.00 O ATOM 1054 CB SER A 65 1.916 9.898 -1.660 1.00 0.00 C ATOM 1055 OG SER A 65 3.306 10.049 -1.912 1.00 0.00 O ATOM 0 H SER A 65 2.514 11.609 -3.114 1.00 0.00 H new ATOM 0 HA SER A 65 1.068 9.405 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.620 10.565 -0.850 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.717 8.880 -1.323 1.00 0.00 H new ATOM 0 HG SER A 65 3.556 9.515 -2.695 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.695 11.394 -1.718 1.00 0.00 N ATOM 1062 CA GLN A 66 -2.022 11.630 -1.242 1.00 0.00 C ATOM 1063 C GLN A 66 -2.952 12.158 -2.281 1.00 0.00 C ATOM 1064 O GLN A 66 -4.162 12.210 -2.066 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.987 12.553 -0.013 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.815 11.691 1.238 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.683 12.480 2.533 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.729 13.708 2.588 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.496 11.721 3.647 1.00 0.00 N ATOM 0 H GLN A 66 -0.028 12.111 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.425 10.658 -0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.166 13.265 -0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.907 13.133 0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.669 11.019 1.322 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.930 11.067 1.115 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.462 10.704 3.572 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.390 12.169 4.557 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.423 12.554 -3.452 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.202 13.007 -4.562 1.00 0.00 C ATOM 1080 C GLU A 67 -3.564 11.858 -5.441 1.00 0.00 C ATOM 1081 O GLU A 67 -4.679 11.784 -5.955 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.438 14.056 -5.388 1.00 0.00 C ATOM 1083 CG GLU A 67 -1.702 15.137 -4.595 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.605 16.074 -3.807 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -3.584 16.607 -4.395 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -2.306 16.352 -2.615 1.00 0.00 O ATOM 0 H GLU A 67 -1.419 12.559 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.107 13.466 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.712 13.537 -6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.145 14.545 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.011 14.654 -3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.101 15.729 -5.285 1.00 0.00 H new ATOM 1093 N ASP A 68 -2.631 10.918 -5.676 1.00 0.00 N ATOM 1094 CA ASP A 68 -2.844 9.832 -6.581 1.00 0.00 C ATOM 1095 C ASP A 68 -3.364 8.603 -5.919 1.00 0.00 C ATOM 1096 O ASP A 68 -4.309 7.996 -6.423 1.00 0.00 O ATOM 1097 CB ASP A 68 -1.549 9.503 -7.345 1.00 0.00 C ATOM 1098 CG ASP A 68 -1.293 10.474 -8.488 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -2.216 11.229 -8.894 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -0.168 10.460 -9.057 1.00 0.00 O ATOM 0 H ASP A 68 -1.714 10.912 -5.230 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.613 10.167 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.706 9.527 -6.655 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.610 8.489 -7.739 1.00 0.00 H new ATOM 1105 N ALA A 69 -2.792 8.190 -4.774 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.134 6.961 -4.128 1.00 0.00 C ATOM 1107 C ALA A 69 -4.586 6.815 -3.829 1.00 0.00 C ATOM 1108 O ALA A 69 -5.196 5.830 -4.241 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.339 6.745 -2.829 1.00 0.00 C ATOM 0 H ALA A 69 -2.074 8.724 -4.285 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.865 6.197 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.634 5.799 -2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.273 6.723 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.546 7.560 -2.136 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.223 7.816 -3.195 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.637 7.887 -2.996 1.00 0.00 C ATOM 1117 C GLU A 70 -7.517 7.496 -4.133 1.00 0.00 C ATOM 1118 O GLU A 70 -8.492 6.769 -3.943 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.040 9.280 -2.484 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.751 10.444 -3.437 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.782 11.544 -3.232 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -7.717 12.250 -2.190 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -8.726 11.656 -4.059 1.00 0.00 O ATOM 0 H GLU A 70 -4.726 8.615 -2.802 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.815 7.111 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.107 9.271 -2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.521 9.466 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.749 10.834 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.777 10.096 -4.470 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.211 7.917 -5.372 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.004 7.736 -6.549 1.00 0.00 C ATOM 1132 C LYS A 71 -7.683 6.452 -7.233 1.00 0.00 C ATOM 1133 O LYS A 71 -8.565 5.704 -7.656 1.00 0.00 O ATOM 1134 CB LYS A 71 -7.755 8.898 -7.523 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.568 10.148 -7.177 1.00 0.00 C ATOM 1136 CD LYS A 71 -7.817 11.440 -7.505 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.652 12.723 -7.492 1.00 0.00 C ATOM 1138 NZ LYS A 71 -9.547 12.752 -6.314 1.00 0.00 N ATOM 0 H LYS A 71 -6.346 8.421 -5.565 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.051 7.713 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.694 9.148 -7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.003 8.577 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.510 10.129 -7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.817 10.135 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.001 11.554 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.365 11.334 -8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.993 13.591 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.243 12.788 -8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.709 13.738 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.456 12.309 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.106 12.229 -5.530 1.00 0.00 H new ATOM 1152 N GLU A 72 -6.383 6.140 -7.380 1.00 0.00 N ATOM 1153 CA GLU A 72 -5.946 4.954 -8.046 1.00 0.00 C ATOM 1154 C GLU A 72 -6.156 3.726 -7.226 1.00 0.00 C ATOM 1155 O GLU A 72 -6.311 2.639 -7.780 1.00 0.00 O ATOM 1156 CB GLU A 72 -4.484 5.107 -8.500 1.00 0.00 C ATOM 1157 CG GLU A 72 -4.318 6.152 -9.605 1.00 0.00 C ATOM 1158 CD GLU A 72 -2.938 6.132 -10.247 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -2.492 5.034 -10.677 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -2.322 7.217 -10.421 1.00 0.00 O ATOM 0 H GLU A 72 -5.622 6.722 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.566 4.823 -8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.869 5.387 -7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.115 4.145 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.072 5.981 -10.374 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.504 7.143 -9.190 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.220 3.846 -5.889 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.408 2.745 -4.995 1.00 0.00 C ATOM 1169 C TYR A 73 -7.760 2.130 -5.110 1.00 0.00 C ATOM 1170 O TYR A 73 -7.856 0.922 -5.321 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.214 3.151 -3.524 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.041 1.986 -2.612 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.883 1.249 -2.683 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.989 1.675 -1.666 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.615 0.265 -1.761 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.739 0.665 -0.767 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.545 -0.017 -0.788 1.00 0.00 C ATOM 1178 OH TYR A 73 -5.274 -1.024 0.162 1.00 0.00 O ATOM 0 H TYR A 73 -6.138 4.744 -5.411 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.649 2.021 -5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.341 3.799 -3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.075 3.735 -3.198 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.174 1.446 -3.474 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.921 2.219 -1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.684 -0.281 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.489 0.404 -0.035 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.821 -0.630 0.936 1.00 0.00 H new ATOM 1188 N ILE A 74 -8.848 2.913 -4.999 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.162 2.386 -5.198 1.00 0.00 C ATOM 1190 C ILE A 74 -10.392 1.598 -6.441 1.00 0.00 C ATOM 1191 O ILE A 74 -11.069 0.571 -6.420 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.212 3.441 -5.009 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.621 2.824 -4.995 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -11.080 4.586 -6.027 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.734 3.751 -4.510 1.00 0.00 C ATOM 0 H ILE A 74 -8.818 3.907 -4.772 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.252 1.636 -4.412 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.048 3.893 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.863 2.489 -6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -12.606 1.938 -4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.862 5.324 -5.848 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.104 5.059 -5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.180 4.188 -7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.686 3.222 -4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.525 4.067 -3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.786 4.626 -5.157 1.00 0.00 H new ATOM 1207 N ALA A 75 -9.776 1.966 -7.579 1.00 0.00 N ATOM 1208 CA ALA A 75 -9.899 1.208 -8.785 1.00 0.00 C ATOM 1209 C ALA A 75 -9.250 -0.133 -8.749 1.00 0.00 C ATOM 1210 O ALA A 75 -9.803 -1.105 -9.262 1.00 0.00 O ATOM 1211 CB ALA A 75 -9.375 2.034 -9.972 1.00 0.00 C ATOM 0 H ALA A 75 -9.188 2.795 -7.663 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.963 1.002 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.470 1.453 -10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.956 2.952 -10.061 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.327 2.283 -9.807 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.084 -0.276 -8.095 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.459 -1.543 -7.870 1.00 0.00 C ATOM 1219 C LEU A 76 -8.255 -2.398 -6.944 1.00 0.00 C ATOM 1220 O LEU A 76 -8.516 -3.576 -7.186 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.088 -1.391 -7.191 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.034 -0.598 -7.981 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -3.869 -0.288 -7.024 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.542 -1.347 -9.231 1.00 0.00 C ATOM 0 H LEU A 76 -7.561 0.511 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.373 -1.992 -8.859 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.233 -0.905 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.691 -2.386 -6.990 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.484 0.323 -8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.102 0.276 -7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.236 0.301 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.443 -1.221 -6.655 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.800 -0.741 -9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.093 -2.295 -8.934 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.384 -1.537 -9.896 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.681 -1.811 -5.812 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.304 -2.479 -4.712 1.00 0.00 C ATOM 1238 C VAL A 77 -10.705 -2.872 -5.036 1.00 0.00 C ATOM 1239 O VAL A 77 -11.200 -3.868 -4.511 1.00 0.00 O ATOM 1240 CB VAL A 77 -9.133 -1.651 -3.473 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -10.012 -2.168 -2.322 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.653 -1.795 -3.082 1.00 0.00 C ATOM 0 H VAL A 77 -8.584 -0.808 -5.656 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.813 -3.431 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.425 -0.617 -3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.862 -1.544 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.060 -2.130 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.738 -3.197 -2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.456 -1.214 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.427 -2.844 -2.893 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.025 -1.429 -3.894 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.398 -2.213 -5.981 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.666 -2.686 -6.443 1.00 0.00 C ATOM 1254 C ASP A 78 -12.559 -3.948 -7.230 1.00 0.00 C ATOM 1255 O ASP A 78 -13.409 -4.833 -7.151 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.363 -1.592 -7.268 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.864 -1.800 -7.415 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -15.592 -1.714 -6.390 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.343 -2.010 -8.561 1.00 0.00 O ATOM 0 H ASP A 78 -11.080 -1.352 -6.426 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.266 -2.919 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -13.183 -0.625 -6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.912 -1.554 -8.259 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.476 -4.115 -8.009 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.177 -5.321 -8.717 1.00 0.00 C ATOM 1266 C GLN A 79 -10.793 -6.434 -7.805 1.00 0.00 C ATOM 1267 O GLN A 79 -11.085 -7.597 -8.078 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.023 -5.115 -9.713 1.00 0.00 C ATOM 1269 CG GLN A 79 -10.327 -4.084 -10.802 1.00 0.00 C ATOM 1270 CD GLN A 79 -9.043 -3.753 -11.550 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -8.484 -4.591 -12.257 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -8.530 -2.509 -11.357 1.00 0.00 N ATOM 0 H GLN A 79 -10.781 -3.382 -8.151 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.094 -5.585 -9.245 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.134 -4.801 -9.166 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.787 -6.069 -10.184 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.074 -4.476 -11.493 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.746 -3.181 -10.358 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.022 -1.841 -10.764 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.653 -2.244 -11.805 1.00 0.00 H new ATOM 1281 N LEU A 80 -10.154 -6.095 -6.670 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.791 -6.973 -5.601 1.00 0.00 C ATOM 1283 C LEU A 80 -11.026 -7.450 -4.916 1.00 0.00 C ATOM 1284 O LEU A 80 -11.352 -8.636 -4.941 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.872 -6.320 -4.555 1.00 0.00 C ATOM 1286 CG LEU A 80 -7.465 -5.897 -5.008 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.494 -6.021 -3.821 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -6.897 -6.649 -6.224 1.00 0.00 C ATOM 0 H LEU A 80 -9.870 -5.132 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.236 -7.796 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.379 -5.437 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.762 -7.016 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.569 -4.866 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.494 -5.722 -4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.827 -5.374 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.472 -7.055 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.902 -6.269 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.836 -7.713 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.551 -6.498 -7.083 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.801 -6.544 -4.292 1.00 0.00 N ATOM 1301 CA ILE A 81 -12.867 -6.878 -3.400 1.00 0.00 C ATOM 1302 C ILE A 81 -14.022 -7.533 -4.076 1.00 0.00 C ATOM 1303 O ILE A 81 -14.658 -8.411 -3.495 1.00 0.00 O ATOM 1304 CB ILE A 81 -13.255 -5.671 -2.598 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -12.131 -5.365 -1.595 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -14.609 -5.804 -1.880 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.398 -4.145 -0.714 1.00 0.00 C ATOM 0 H ILE A 81 -11.679 -5.539 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.501 -7.638 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 81 -13.386 -4.844 -3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.981 -6.236 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.202 -5.208 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.817 -4.891 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -15.397 -5.967 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -14.575 -6.649 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.559 -3.996 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.517 -3.262 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.309 -4.305 -0.137 1.00 0.00 H new ATOM 1319 N ALA A 82 -14.291 -7.228 -5.359 1.00 0.00 N ATOM 1320 CA ALA A 82 -15.222 -7.970 -6.150 1.00 0.00 C ATOM 1321 C ALA A 82 -14.959 -9.435 -6.233 1.00 0.00 C ATOM 1322 O ALA A 82 -15.879 -10.242 -6.361 1.00 0.00 O ATOM 1323 CB ALA A 82 -15.281 -7.382 -7.570 1.00 0.00 C ATOM 0 H ALA A 82 -13.853 -6.452 -5.855 1.00 0.00 H new ATOM 0 HA ALA A 82 -16.178 -7.872 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.992 -7.950 -8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.600 -6.341 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.294 -7.438 -8.028 1.00 0.00 H new ATOM 1329 N LYS A 83 -13.685 -9.856 -6.144 1.00 0.00 N ATOM 1330 CA LYS A 83 -13.303 -11.221 -5.952 1.00 0.00 C ATOM 1331 C LYS A 83 -13.243 -11.582 -4.508 1.00 0.00 C ATOM 1332 O LYS A 83 -13.715 -12.632 -4.074 1.00 0.00 O ATOM 1333 CB LYS A 83 -11.930 -11.472 -6.598 1.00 0.00 C ATOM 1334 CG LYS A 83 -11.863 -11.192 -8.100 1.00 0.00 C ATOM 1335 CD LYS A 83 -10.409 -11.190 -8.577 1.00 0.00 C ATOM 1336 CE LYS A 83 -10.282 -10.547 -9.960 1.00 0.00 C ATOM 1337 NZ LYS A 83 -8.863 -10.394 -10.354 1.00 0.00 N ATOM 0 H LYS A 83 -12.889 -9.221 -6.208 1.00 0.00 H new ATOM 0 HA LYS A 83 -14.061 -11.846 -6.425 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.189 -10.851 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.647 -12.510 -6.424 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.430 -11.948 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.325 -10.229 -8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.790 -10.648 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.034 -12.213 -8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.802 -11.159 -10.697 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.768 -9.571 -9.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -8.809 -9.956 -11.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.374 -9.790 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -8.407 -11.329 -10.381 1.00 0.00 H new ATOM 1351 N TYR A 84 -12.585 -10.727 -3.704 1.00 0.00 N ATOM 1352 CA TYR A 84 -11.928 -11.078 -2.484 1.00 0.00 C ATOM 1353 C TYR A 84 -12.717 -10.802 -1.250 1.00 0.00 C ATOM 1354 O TYR A 84 -12.307 -11.205 -0.162 1.00 0.00 O ATOM 1355 CB TYR A 84 -10.597 -10.319 -2.360 1.00 0.00 C ATOM 1356 CG TYR A 84 -9.542 -10.576 -3.380 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -9.546 -11.646 -4.245 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -8.482 -9.702 -3.445 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -8.547 -11.811 -5.176 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -7.475 -9.845 -4.370 1.00 0.00 C ATOM 1361 CZ TYR A 84 -7.516 -10.904 -5.245 1.00 0.00 C ATOM 1362 OH TYR A 84 -6.505 -11.127 -6.203 1.00 0.00 O ATOM 0 H TYR A 84 -12.508 -9.733 -3.919 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.784 -12.157 -2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.820 -9.252 -2.373 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -10.175 -10.545 -1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -10.347 -12.368 -4.192 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.439 -8.878 -2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.572 -12.653 -5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.662 -9.135 -4.409 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.837 -10.412 -6.147 1.00 0.00 H new ATOM 1372 N SER A 85 -13.874 -10.124 -1.342 1.00 0.00 N ATOM 1373 CA SER A 85 -14.784 -9.867 -0.270 1.00 0.00 C ATOM 1374 C SER A 85 -15.097 -11.048 0.583 1.00 0.00 C ATOM 1375 O SER A 85 -14.932 -11.008 1.802 1.00 0.00 O ATOM 1376 CB SER A 85 -16.089 -9.261 -0.812 1.00 0.00 C ATOM 1377 OG SER A 85 -17.067 -8.993 0.182 1.00 0.00 O ATOM 0 H SER A 85 -14.195 -9.729 -2.226 1.00 0.00 H new ATOM 0 HA SER A 85 -14.267 -9.159 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.855 -8.333 -1.334 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.514 -9.943 -1.548 1.00 0.00 H new ATOM 0 HG SER A 85 -17.864 -8.609 -0.239 1.00 0.00 H new ATOM 1383 N SER A 86 -15.562 -12.140 -0.049 1.00 0.00 N ATOM 1384 CA SER A 86 -15.664 -13.433 0.554 1.00 0.00 C ATOM 1385 C SER A 86 -15.829 -14.488 -0.530 1.00 0.00 C ATOM 1386 O SER A 86 -15.144 -15.543 -0.456 1.00 0.00 O ATOM 1387 CB SER A 86 -16.716 -13.603 1.664 1.00 0.00 C ATOM 1388 OG SER A 86 -18.032 -13.189 1.330 1.00 0.00 O ATOM 1389 OXT SER A 86 -16.602 -14.282 -1.503 1.00 0.00 O ATOM 0 H SER A 86 -15.879 -12.122 -1.018 1.00 0.00 H new ATOM 0 HA SER A 86 -14.725 -13.564 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.747 -14.654 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.389 -13.042 2.539 1.00 0.00 H new ATOM 0 HG SER A 86 -18.626 -13.337 2.095 1.00 0.00 H new TER 1395 SER A 86