USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 421 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLU N :NH3+ -148:sc= -0.601 (180deg=-1.84!) USER MOD Single : A 3 TYR OH : rot -9:sc= -0.601! USER MOD Single : A 7 SER OG : rot 14:sc= 0.783 USER MOD Single : A 9 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 10 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.22) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -158:sc= 0.0117 USER MOD Single : A 25 HIS : no HD1:sc= -8.74! C(o=-8.7!,f=-5.7!) USER MOD Single : A 27 THR OG1 : rot 170:sc= -0.787 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.02! X(o=-2!,f=-1.7) USER MOD Single : A 33 ASN : amide:sc=-0.00484 X(o=-0.0048,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.66) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 7.818 -18.031 18.629 1.00 0.00 N ATOM 2 CA GLU A 1 7.050 -16.948 18.037 1.00 0.00 C ATOM 3 C GLU A 1 7.939 -16.106 17.120 1.00 0.00 C ATOM 4 O GLU A 1 9.124 -15.922 17.396 1.00 0.00 O ATOM 5 CB GLU A 1 6.400 -16.082 19.118 1.00 0.00 C ATOM 6 CG GLU A 1 5.260 -16.832 19.810 1.00 0.00 C ATOM 7 CD GLU A 1 5.801 -17.818 20.847 1.00 0.00 C ATOM 8 OE1 GLU A 1 6.716 -17.409 21.595 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.288 -18.957 20.869 1.00 0.00 O ATOM 0 H1 GLU A 1 7.200 -18.855 18.775 1.00 0.00 H new ATOM 0 H2 GLU A 1 8.598 -18.292 17.992 1.00 0.00 H new ATOM 0 H3 GLU A 1 8.206 -17.722 19.543 1.00 0.00 H new ATOM 0 HA GLU A 1 6.250 -17.382 17.436 1.00 0.00 H new ATOM 0 HB2 GLU A 1 7.149 -15.791 19.855 1.00 0.00 H new ATOM 0 HB3 GLU A 1 6.018 -15.164 18.672 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.593 -16.119 20.294 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.669 -17.368 19.067 1.00 0.00 H new ATOM 16 N GLU A 2 7.334 -15.616 16.049 1.00 0.00 N ATOM 17 CA GLU A 2 8.056 -14.798 15.089 1.00 0.00 C ATOM 18 C GLU A 2 7.916 -13.316 15.445 1.00 0.00 C ATOM 19 O GLU A 2 7.164 -12.960 16.351 1.00 0.00 O ATOM 20 CB GLU A 2 7.572 -15.068 13.664 1.00 0.00 C ATOM 21 CG GLU A 2 8.730 -14.991 12.667 1.00 0.00 C ATOM 22 CD GLU A 2 8.448 -15.848 11.431 1.00 0.00 C ATOM 23 OE1 GLU A 2 7.786 -15.318 10.513 1.00 0.00 O ATOM 24 OE2 GLU A 2 8.901 -17.013 11.433 1.00 0.00 O ATOM 0 H GLU A 2 6.351 -15.770 15.824 1.00 0.00 H new ATOM 0 HA GLU A 2 9.112 -15.065 15.134 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.110 -16.054 13.614 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.805 -14.342 13.393 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.888 -13.955 12.367 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.649 -15.328 13.146 1.00 0.00 H new ATOM 31 N TYR A 3 8.651 -12.493 14.712 1.00 0.00 N ATOM 32 CA TYR A 3 8.619 -11.058 14.938 1.00 0.00 C ATOM 33 C TYR A 3 8.474 -10.298 13.618 1.00 0.00 C ATOM 34 O TYR A 3 8.874 -10.793 12.566 1.00 0.00 O ATOM 35 CB TYR A 3 9.964 -10.701 15.574 1.00 0.00 C ATOM 36 CG TYR A 3 11.079 -10.433 14.562 1.00 0.00 C ATOM 37 CD1 TYR A 3 11.235 -9.171 14.025 1.00 0.00 C ATOM 38 CD2 TYR A 3 11.929 -11.453 14.186 1.00 0.00 C ATOM 39 CE1 TYR A 3 12.285 -8.919 13.072 1.00 0.00 C ATOM 40 CE2 TYR A 3 12.979 -11.200 13.233 1.00 0.00 C ATOM 41 CZ TYR A 3 13.105 -9.946 12.723 1.00 0.00 C ATOM 42 OH TYR A 3 14.097 -9.708 11.823 1.00 0.00 O ATOM 0 H TYR A 3 9.273 -12.793 13.961 1.00 0.00 H new ATOM 0 HA TYR A 3 7.773 -10.788 15.570 1.00 0.00 H new ATOM 0 HB2 TYR A 3 9.835 -9.818 16.200 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.271 -11.515 16.231 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.570 -8.373 14.319 1.00 0.00 H new ATOM 0 HD2 TYR A 3 11.807 -12.440 14.606 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.418 -7.936 12.644 1.00 0.00 H new ATOM 0 HE2 TYR A 3 13.651 -11.989 12.930 1.00 0.00 H new ATOM 0 HH TYR A 3 13.982 -8.814 11.438 1.00 0.00 H new ATOM 52 N VAL A 4 7.902 -9.107 13.718 1.00 0.00 N ATOM 53 CA VAL A 4 7.700 -8.274 12.545 1.00 0.00 C ATOM 54 C VAL A 4 7.827 -6.802 12.942 1.00 0.00 C ATOM 55 O VAL A 4 8.753 -6.427 13.661 1.00 0.00 O ATOM 56 CB VAL A 4 6.355 -8.603 11.894 1.00 0.00 C ATOM 57 CG1 VAL A 4 6.288 -10.077 11.489 1.00 0.00 C ATOM 58 CG2 VAL A 4 5.193 -8.236 12.820 1.00 0.00 C ATOM 0 H VAL A 4 7.572 -8.699 14.593 1.00 0.00 H new ATOM 0 HA VAL A 4 8.466 -8.477 11.797 1.00 0.00 H new ATOM 0 HB VAL A 4 6.265 -8.002 10.989 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.322 -10.284 11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.084 -10.295 10.777 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.411 -10.703 12.373 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.249 -8.480 12.333 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.278 -8.798 13.750 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.224 -7.168 13.037 1.00 0.00 H new ATOM 68 N GLY A 5 6.884 -6.007 12.457 1.00 0.00 N ATOM 69 CA GLY A 5 6.879 -4.585 12.753 1.00 0.00 C ATOM 70 C GLY A 5 5.476 -3.996 12.593 1.00 0.00 C ATOM 71 O GLY A 5 5.286 -3.026 11.862 1.00 0.00 O ATOM 0 H GLY A 5 6.118 -6.321 11.861 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.232 -4.421 13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.572 -4.069 12.088 1.00 0.00 H new ATOM 75 N LEU A 6 4.529 -4.608 13.289 1.00 0.00 N ATOM 76 CA LEU A 6 3.149 -4.157 13.233 1.00 0.00 C ATOM 77 C LEU A 6 3.118 -2.628 13.208 1.00 0.00 C ATOM 78 O LEU A 6 3.215 -1.984 14.252 1.00 0.00 O ATOM 79 CB LEU A 6 2.339 -4.771 14.376 1.00 0.00 C ATOM 80 CG LEU A 6 0.971 -5.344 13.997 1.00 0.00 C ATOM 81 CD1 LEU A 6 0.657 -6.598 14.814 1.00 0.00 C ATOM 82 CD2 LEU A 6 -0.123 -4.283 14.130 1.00 0.00 C ATOM 0 H LEU A 6 4.690 -5.413 13.895 1.00 0.00 H new ATOM 0 HA LEU A 6 2.672 -4.500 12.315 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.931 -5.566 14.828 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.192 -4.009 15.141 1.00 0.00 H new ATOM 0 HG LEU A 6 1.003 -5.643 12.949 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.320 -6.985 14.525 1.00 0.00 H new ATOM 0 HD12 LEU A 6 1.418 -7.355 14.625 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.649 -6.349 15.875 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.085 -4.716 13.855 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.165 -3.931 15.161 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.100 -3.445 13.469 1.00 0.00 H new ATOM 94 N SER A 7 2.982 -2.090 12.005 1.00 0.00 N ATOM 95 CA SER A 7 2.937 -0.648 11.831 1.00 0.00 C ATOM 96 C SER A 7 3.033 -0.298 10.344 1.00 0.00 C ATOM 97 O SER A 7 2.028 -0.306 9.635 1.00 0.00 O ATOM 98 CB SER A 7 4.061 0.037 12.611 1.00 0.00 C ATOM 99 OG SER A 7 5.280 -0.698 12.547 1.00 0.00 O ATOM 0 H SER A 7 2.901 -2.627 11.141 1.00 0.00 H new ATOM 0 HA SER A 7 1.987 -0.286 12.223 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.220 1.039 12.212 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.761 0.152 13.653 1.00 0.00 H new ATOM 0 HG SER A 7 5.217 -1.375 11.841 1.00 0.00 H new ATOM 105 N ALA A 8 4.250 0.002 9.917 1.00 0.00 N ATOM 106 CA ALA A 8 4.491 0.355 8.528 1.00 0.00 C ATOM 107 C ALA A 8 5.585 -0.549 7.959 1.00 0.00 C ATOM 108 O ALA A 8 5.969 -0.410 6.798 1.00 0.00 O ATOM 109 CB ALA A 8 4.852 1.839 8.433 1.00 0.00 C ATOM 0 H ALA A 8 5.081 0.008 10.509 1.00 0.00 H new ATOM 0 HA ALA A 8 3.592 0.200 7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.033 2.104 7.391 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.030 2.439 8.822 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.751 2.033 9.018 1.00 0.00 H new ATOM 115 N ASN A 9 6.058 -1.456 8.802 1.00 0.00 N ATOM 116 CA ASN A 9 7.101 -2.383 8.397 1.00 0.00 C ATOM 117 C ASN A 9 6.755 -2.967 7.026 1.00 0.00 C ATOM 118 O ASN A 9 7.641 -3.390 6.285 1.00 0.00 O ATOM 119 CB ASN A 9 7.223 -3.542 9.388 1.00 0.00 C ATOM 120 CG ASN A 9 8.067 -4.676 8.803 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.564 -5.703 8.377 1.00 0.00 O ATOM 122 ND2 ASN A 9 9.375 -4.435 8.808 1.00 0.00 N ATOM 0 H ASN A 9 5.738 -1.568 9.764 1.00 0.00 H new ATOM 0 HA ASN A 9 8.043 -1.836 8.364 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.675 -3.187 10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.231 -3.915 9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.023 -5.131 8.440 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.730 -3.554 9.180 1.00 0.00 H new ATOM 129 N GLN A 10 5.463 -2.971 6.729 1.00 0.00 N ATOM 130 CA GLN A 10 4.988 -3.497 5.461 1.00 0.00 C ATOM 131 C GLN A 10 4.846 -2.367 4.438 1.00 0.00 C ATOM 132 O GLN A 10 5.124 -2.557 3.255 1.00 0.00 O ATOM 133 CB GLN A 10 3.666 -4.246 5.637 1.00 0.00 C ATOM 134 CG GLN A 10 3.595 -5.459 4.707 1.00 0.00 C ATOM 135 CD GLN A 10 3.716 -6.764 5.497 1.00 0.00 C ATOM 136 OE1 GLN A 10 4.481 -7.653 5.163 1.00 0.00 O ATOM 137 NE2 GLN A 10 2.921 -6.827 6.561 1.00 0.00 N ATOM 0 H GLN A 10 4.731 -2.618 7.345 1.00 0.00 H new ATOM 0 HA GLN A 10 5.723 -4.210 5.088 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.563 -4.571 6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.833 -3.575 5.429 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.653 -5.447 4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.394 -5.402 3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.304 -6.046 6.784 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.928 -7.656 7.155 1.00 0.00 H new ATOM 146 N CYS A 11 4.413 -1.216 4.932 1.00 0.00 N ATOM 147 CA CYS A 11 4.230 -0.056 4.077 1.00 0.00 C ATOM 148 C CYS A 11 5.224 1.023 4.512 1.00 0.00 C ATOM 149 O CYS A 11 4.859 2.189 4.649 1.00 0.00 O ATOM 150 CB CYS A 11 2.787 0.450 4.111 1.00 0.00 C ATOM 151 SG CYS A 11 1.537 -0.821 4.525 1.00 0.00 S ATOM 0 H CYS A 11 4.184 -1.062 5.914 1.00 0.00 H new ATOM 0 HA CYS A 11 4.424 -0.331 3.040 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.717 1.258 4.839 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.543 0.876 3.138 1.00 0.00 H new ATOM 156 N ALA A 12 6.461 0.595 4.716 1.00 0.00 N ATOM 157 CA ALA A 12 7.510 1.510 5.133 1.00 0.00 C ATOM 158 C ALA A 12 8.563 1.609 4.027 1.00 0.00 C ATOM 159 O ALA A 12 9.744 1.359 4.266 1.00 0.00 O ATOM 160 CB ALA A 12 8.103 1.037 6.462 1.00 0.00 C ATOM 0 H ALA A 12 6.760 -0.373 4.600 1.00 0.00 H new ATOM 0 HA ALA A 12 7.106 2.509 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.890 1.724 6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.321 1.012 7.221 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.521 0.038 6.339 1.00 0.00 H new ATOM 166 N VAL A 13 8.098 1.974 2.842 1.00 0.00 N ATOM 167 CA VAL A 13 8.985 2.109 1.699 1.00 0.00 C ATOM 168 C VAL A 13 9.433 3.567 1.576 1.00 0.00 C ATOM 169 O VAL A 13 8.712 4.478 1.979 1.00 0.00 O ATOM 170 CB VAL A 13 8.295 1.588 0.437 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.274 0.805 -0.441 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.074 0.735 0.791 1.00 0.00 C ATOM 0 H VAL A 13 7.118 2.181 2.648 1.00 0.00 H new ATOM 0 HA VAL A 13 9.881 1.504 1.837 1.00 0.00 H new ATOM 0 HB VAL A 13 7.948 2.449 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.757 0.446 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.098 1.455 -0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.665 -0.045 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.602 0.377 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.388 -0.117 1.394 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.361 1.336 1.355 1.00 0.00 H new ATOM 182 N PRO A 14 10.654 3.746 1.005 1.00 0.00 N ATOM 183 CA PRO A 14 11.208 5.077 0.824 1.00 0.00 C ATOM 184 C PRO A 14 10.520 5.805 -0.333 1.00 0.00 C ATOM 185 O PRO A 14 10.896 6.924 -0.678 1.00 0.00 O ATOM 186 CB PRO A 14 12.693 4.857 0.589 1.00 0.00 C ATOM 187 CG PRO A 14 12.839 3.399 0.184 1.00 0.00 C ATOM 188 CD PRO A 14 11.537 2.690 0.516 1.00 0.00 C ATOM 0 HA PRO A 14 11.047 5.721 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.067 5.519 -0.192 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.267 5.071 1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.056 3.319 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.671 2.937 0.715 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.118 2.199 -0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.688 1.918 1.271 1.00 0.00 H new ATOM 196 N ALA A 15 9.526 5.139 -0.901 1.00 0.00 N ATOM 197 CA ALA A 15 8.783 5.708 -2.012 1.00 0.00 C ATOM 198 C ALA A 15 9.523 5.415 -3.319 1.00 0.00 C ATOM 199 O ALA A 15 8.908 5.337 -4.381 1.00 0.00 O ATOM 200 CB ALA A 15 8.583 7.207 -1.779 1.00 0.00 C ATOM 0 H ALA A 15 9.218 4.210 -0.613 1.00 0.00 H new ATOM 0 HA ALA A 15 7.794 5.255 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.025 7.634 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.027 7.360 -0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.554 7.696 -1.704 1.00 0.00 H new ATOM 206 N LYS A 16 10.833 5.261 -3.197 1.00 0.00 N ATOM 207 CA LYS A 16 11.664 4.978 -4.355 1.00 0.00 C ATOM 208 C LYS A 16 11.720 3.466 -4.580 1.00 0.00 C ATOM 209 O LYS A 16 12.467 2.989 -5.434 1.00 0.00 O ATOM 210 CB LYS A 16 13.040 5.628 -4.199 1.00 0.00 C ATOM 211 CG LYS A 16 13.807 5.015 -3.026 1.00 0.00 C ATOM 212 CD LYS A 16 14.666 3.837 -3.488 1.00 0.00 C ATOM 213 CE LYS A 16 16.150 4.209 -3.491 1.00 0.00 C ATOM 214 NZ LYS A 16 16.981 3.026 -3.808 1.00 0.00 N ATOM 0 H LYS A 16 11.340 5.327 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 16 11.229 5.418 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.612 5.501 -5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.924 6.700 -4.041 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.441 5.773 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.104 4.680 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.503 2.983 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.362 3.531 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.332 4.995 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.433 4.609 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.985 3.296 -3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.820 2.287 -3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.723 2.662 -4.747 1.00 0.00 H new ATOM 228 N ASP A 17 10.922 2.753 -3.799 1.00 0.00 N ATOM 229 CA ASP A 17 10.871 1.305 -3.903 1.00 0.00 C ATOM 230 C ASP A 17 9.412 0.855 -4.002 1.00 0.00 C ATOM 231 O ASP A 17 9.096 -0.301 -3.728 1.00 0.00 O ATOM 232 CB ASP A 17 11.487 0.643 -2.668 1.00 0.00 C ATOM 233 CG ASP A 17 12.682 -0.270 -2.952 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.714 -0.833 -4.068 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.537 -0.383 -2.048 1.00 0.00 O ATOM 0 H ASP A 17 10.305 3.152 -3.091 1.00 0.00 H new ATOM 0 HA ASP A 17 11.433 1.011 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.802 1.423 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.716 0.061 -2.164 1.00 0.00 H new ATOM 240 N ARG A 18 8.563 1.794 -4.393 1.00 0.00 N ATOM 241 CA ARG A 18 7.145 1.509 -4.531 1.00 0.00 C ATOM 242 C ARG A 18 6.883 0.728 -5.821 1.00 0.00 C ATOM 243 O ARG A 18 7.391 1.088 -6.882 1.00 0.00 O ATOM 244 CB ARG A 18 6.323 2.799 -4.549 1.00 0.00 C ATOM 245 CG ARG A 18 6.842 3.794 -3.509 1.00 0.00 C ATOM 246 CD ARG A 18 6.167 3.575 -2.154 1.00 0.00 C ATOM 247 NE ARG A 18 5.737 4.872 -1.587 1.00 0.00 N ATOM 248 CZ ARG A 18 5.674 5.134 -0.274 1.00 0.00 C ATOM 249 NH1 ARG A 18 6.012 4.190 0.614 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.272 6.340 0.150 1.00 0.00 N ATOM 0 H ARG A 18 8.830 2.752 -4.618 1.00 0.00 H new ATOM 0 HA ARG A 18 6.842 0.910 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.367 3.248 -5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.276 2.570 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.921 3.685 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.657 4.812 -3.851 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.306 2.916 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.857 3.081 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 18 5.472 5.613 -2.236 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.317 3.272 0.291 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.964 4.389 1.613 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.014 7.058 -0.526 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.224 6.539 1.149 1.00 0.00 H new ATOM 264 N VAL A 19 6.092 -0.326 -5.687 1.00 0.00 N ATOM 265 CA VAL A 19 5.757 -1.160 -6.829 1.00 0.00 C ATOM 266 C VAL A 19 4.455 -0.659 -7.457 1.00 0.00 C ATOM 267 O VAL A 19 4.015 -1.180 -8.480 1.00 0.00 O ATOM 268 CB VAL A 19 5.689 -2.628 -6.402 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.533 -3.545 -7.616 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.916 -3.016 -5.575 1.00 0.00 C ATOM 0 H VAL A 19 5.673 -0.622 -4.805 1.00 0.00 H new ATOM 0 HA VAL A 19 6.532 -1.092 -7.592 1.00 0.00 H new ATOM 0 HB VAL A 19 4.808 -2.753 -5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.487 -4.582 -7.285 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.615 -3.293 -8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.385 -3.414 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.842 -4.064 -5.285 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.817 -2.867 -6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.964 -2.394 -4.681 1.00 0.00 H new ATOM 280 N ASP A 20 3.876 0.346 -6.818 1.00 0.00 N ATOM 281 CA ASP A 20 2.633 0.923 -7.301 1.00 0.00 C ATOM 282 C ASP A 20 1.619 -0.195 -7.551 1.00 0.00 C ATOM 283 O ASP A 20 1.686 -0.881 -8.570 1.00 0.00 O ATOM 284 CB ASP A 20 2.848 1.670 -8.619 1.00 0.00 C ATOM 285 CG ASP A 20 1.571 1.983 -9.401 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.495 1.950 -8.767 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.700 2.247 -10.616 1.00 0.00 O ATOM 0 H ASP A 20 4.244 0.776 -5.970 1.00 0.00 H new ATOM 0 HA ASP A 20 2.270 1.620 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.366 2.606 -8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.507 1.076 -9.252 1.00 0.00 H new ATOM 292 N CYS A 21 0.705 -0.344 -6.604 1.00 0.00 N ATOM 293 CA CYS A 21 -0.321 -1.367 -6.709 1.00 0.00 C ATOM 294 C CYS A 21 -1.313 -0.944 -7.794 1.00 0.00 C ATOM 295 O CYS A 21 -1.984 -1.786 -8.389 1.00 0.00 O ATOM 296 CB CYS A 21 -1.014 -1.613 -5.367 1.00 0.00 C ATOM 297 SG CYS A 21 -1.364 -3.370 -4.994 1.00 0.00 S ATOM 0 H CYS A 21 0.654 0.227 -5.760 1.00 0.00 H new ATOM 0 HA CYS A 21 0.136 -2.317 -6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.390 -1.205 -4.572 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.953 -1.059 -5.352 1.00 0.00 H new ATOM 302 N GLY A 22 -1.373 0.360 -8.020 1.00 0.00 N ATOM 303 CA GLY A 22 -2.272 0.905 -9.023 1.00 0.00 C ATOM 304 C GLY A 22 -3.733 0.731 -8.604 1.00 0.00 C ATOM 305 O GLY A 22 -4.336 -0.310 -8.859 1.00 0.00 O ATOM 0 H GLY A 22 -0.814 1.055 -7.526 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.057 1.963 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.102 0.407 -9.978 1.00 0.00 H new ATOM 309 N TYR A 23 -4.259 1.767 -7.967 1.00 0.00 N ATOM 310 CA TYR A 23 -5.638 1.741 -7.509 1.00 0.00 C ATOM 311 C TYR A 23 -6.320 3.090 -7.748 1.00 0.00 C ATOM 312 O TYR A 23 -5.673 4.135 -7.694 1.00 0.00 O ATOM 313 CB TYR A 23 -5.579 1.473 -6.004 1.00 0.00 C ATOM 314 CG TYR A 23 -5.638 -0.011 -5.634 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.798 -0.728 -5.846 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.533 -0.631 -5.088 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.854 -2.125 -5.498 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.590 -2.027 -4.739 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.747 -2.705 -4.961 1.00 0.00 C ATOM 320 OH TYR A 23 -5.801 -4.023 -4.632 1.00 0.00 O ATOM 0 H TYR A 23 -3.756 2.629 -7.757 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.206 0.982 -8.046 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.659 1.900 -5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.407 1.991 -5.520 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.663 -0.242 -6.272 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.625 -0.069 -4.922 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.755 -2.699 -5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.732 -2.524 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.112 -4.222 -3.964 1.00 0.00 H new ATOM 330 N PRO A 24 -7.652 3.022 -8.013 1.00 0.00 N ATOM 331 CA PRO A 24 -8.429 4.225 -8.261 1.00 0.00 C ATOM 332 C PRO A 24 -8.692 4.984 -6.959 1.00 0.00 C ATOM 333 O PRO A 24 -8.108 6.041 -6.723 1.00 0.00 O ATOM 334 CB PRO A 24 -9.702 3.740 -8.933 1.00 0.00 C ATOM 335 CG PRO A 24 -9.800 2.256 -8.620 1.00 0.00 C ATOM 336 CD PRO A 24 -8.451 1.802 -8.086 1.00 0.00 C ATOM 0 HA PRO A 24 -7.907 4.940 -8.897 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.572 4.277 -8.555 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.665 3.910 -10.009 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.583 2.072 -7.885 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.065 1.694 -9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.550 1.334 -7.106 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.991 1.066 -8.746 1.00 0.00 H new ATOM 344 N HIS A 25 -9.572 4.416 -6.147 1.00 0.00 N ATOM 345 CA HIS A 25 -9.920 5.027 -4.876 1.00 0.00 C ATOM 346 C HIS A 25 -9.004 4.483 -3.778 1.00 0.00 C ATOM 347 O HIS A 25 -9.346 3.515 -3.101 1.00 0.00 O ATOM 348 CB HIS A 25 -11.404 4.824 -4.564 1.00 0.00 C ATOM 349 CG HIS A 25 -11.755 3.419 -4.133 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.876 3.125 -3.378 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.122 2.233 -4.361 1.00 0.00 C ATOM 352 CE1 HIS A 25 -12.906 1.817 -3.165 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.818 1.267 -3.775 1.00 0.00 N ATOM 0 H HIS A 25 -10.054 3.539 -6.345 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.764 6.104 -4.931 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.697 5.518 -3.777 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.989 5.079 -5.448 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.209 2.102 -4.923 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.660 1.281 -2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.578 0.276 -3.780 1.00 0.00 H new ATOM 362 N VAL A 26 -7.856 5.130 -3.635 1.00 0.00 N ATOM 363 CA VAL A 26 -6.888 4.724 -2.631 1.00 0.00 C ATOM 364 C VAL A 26 -7.042 5.609 -1.392 1.00 0.00 C ATOM 365 O VAL A 26 -7.217 6.821 -1.509 1.00 0.00 O ATOM 366 CB VAL A 26 -5.476 4.760 -3.220 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.308 3.696 -4.306 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.144 6.153 -3.760 1.00 0.00 C ATOM 0 H VAL A 26 -7.575 5.933 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.070 3.695 -2.320 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.772 4.534 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.296 3.743 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.483 2.709 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.025 3.877 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.135 6.152 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.856 6.420 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.204 6.881 -2.951 1.00 0.00 H new ATOM 378 N THR A 27 -6.972 4.968 -0.234 1.00 0.00 N ATOM 379 CA THR A 27 -7.101 5.682 1.025 1.00 0.00 C ATOM 380 C THR A 27 -6.332 4.957 2.131 1.00 0.00 C ATOM 381 O THR A 27 -5.858 3.840 1.932 1.00 0.00 O ATOM 382 CB THR A 27 -8.593 5.842 1.326 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.954 4.615 1.954 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.446 5.877 0.057 1.00 0.00 C ATOM 0 H THR A 27 -6.828 3.963 -0.141 1.00 0.00 H new ATOM 0 HA THR A 27 -6.658 6.676 0.964 1.00 0.00 H new ATOM 0 HB THR A 27 -8.752 6.758 1.895 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.857 4.692 2.327 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.496 5.992 0.327 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.138 6.717 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.313 4.947 -0.496 1.00 0.00 H new ATOM 392 N PRO A 28 -6.230 5.640 3.302 1.00 0.00 N ATOM 393 CA PRO A 28 -5.526 5.073 4.440 1.00 0.00 C ATOM 394 C PRO A 28 -6.360 3.979 5.111 1.00 0.00 C ATOM 395 O PRO A 28 -6.388 3.878 6.336 1.00 0.00 O ATOM 396 CB PRO A 28 -5.246 6.252 5.357 1.00 0.00 C ATOM 397 CG PRO A 28 -6.203 7.352 4.927 1.00 0.00 C ATOM 398 CD PRO A 28 -6.779 6.965 3.574 1.00 0.00 C ATOM 0 HA PRO A 28 -4.598 4.577 4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.406 5.981 6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.210 6.579 5.268 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.000 7.473 5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.682 8.307 4.861 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.869 6.945 3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.491 7.679 2.802 1.00 0.00 H new ATOM 406 N LYS A 29 -7.020 3.188 4.277 1.00 0.00 N ATOM 407 CA LYS A 29 -7.852 2.105 4.774 1.00 0.00 C ATOM 408 C LYS A 29 -8.443 1.338 3.590 1.00 0.00 C ATOM 409 O LYS A 29 -8.427 0.108 3.572 1.00 0.00 O ATOM 410 CB LYS A 29 -8.905 2.642 5.746 1.00 0.00 C ATOM 411 CG LYS A 29 -9.316 1.568 6.756 1.00 0.00 C ATOM 412 CD LYS A 29 -10.557 0.812 6.278 1.00 0.00 C ATOM 413 CE LYS A 29 -11.836 1.550 6.675 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.853 1.438 5.606 1.00 0.00 N ATOM 0 H LYS A 29 -6.995 3.276 3.261 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.254 1.396 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.509 3.510 6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.780 2.978 5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.493 0.868 6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.517 2.030 7.722 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.521 0.696 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.564 -0.190 6.706 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.229 1.135 7.603 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.613 2.600 6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.715 1.945 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.482 1.855 4.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.078 0.436 5.445 1.00 0.00 H new ATOM 428 N GLU A 30 -8.951 2.095 2.629 1.00 0.00 N ATOM 429 CA GLU A 30 -9.547 1.502 1.444 1.00 0.00 C ATOM 430 C GLU A 30 -8.464 0.874 0.564 1.00 0.00 C ATOM 431 O GLU A 30 -8.643 -0.226 0.042 1.00 0.00 O ATOM 432 CB GLU A 30 -10.358 2.536 0.661 1.00 0.00 C ATOM 433 CG GLU A 30 -11.011 1.903 -0.570 1.00 0.00 C ATOM 434 CD GLU A 30 -12.536 1.921 -0.451 1.00 0.00 C ATOM 435 OE1 GLU A 30 -13.098 3.035 -0.517 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.106 0.819 -0.298 1.00 0.00 O ATOM 0 H GLU A 30 -8.962 3.115 2.647 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.233 0.716 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.126 2.964 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.708 3.355 0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.706 2.443 -1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.663 0.876 -0.683 1.00 0.00 H new ATOM 443 N CYS A 31 -7.364 1.600 0.425 1.00 0.00 N ATOM 444 CA CYS A 31 -6.252 1.128 -0.383 1.00 0.00 C ATOM 445 C CYS A 31 -5.647 -0.098 0.303 1.00 0.00 C ATOM 446 O CYS A 31 -5.227 -1.043 -0.364 1.00 0.00 O ATOM 447 CB CYS A 31 -5.212 2.227 -0.611 1.00 0.00 C ATOM 448 SG CYS A 31 -3.509 1.623 -0.902 1.00 0.00 S ATOM 0 H CYS A 31 -7.219 2.512 0.858 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.611 0.848 -1.373 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.521 2.828 -1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.205 2.887 0.256 1.00 0.00 H new ATOM 453 N ASN A 32 -5.620 -0.044 1.627 1.00 0.00 N ATOM 454 CA ASN A 32 -5.073 -1.138 2.410 1.00 0.00 C ATOM 455 C ASN A 32 -6.151 -2.206 2.610 1.00 0.00 C ATOM 456 O ASN A 32 -5.884 -3.263 3.180 1.00 0.00 O ATOM 457 CB ASN A 32 -4.623 -0.656 3.790 1.00 0.00 C ATOM 458 CG ASN A 32 -5.383 -1.385 4.900 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.844 -2.210 5.619 1.00 0.00 O ATOM 460 ND2 ASN A 32 -6.663 -1.035 4.999 1.00 0.00 N ATOM 0 H ASN A 32 -5.969 0.741 2.177 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.216 -1.542 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.552 -0.824 3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.788 0.418 3.876 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.256 -1.465 5.709 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.051 -0.337 4.365 1.00 0.00 H new ATOM 467 N ASN A 33 -7.345 -1.892 2.130 1.00 0.00 N ATOM 468 CA ASN A 33 -8.464 -2.811 2.249 1.00 0.00 C ATOM 469 C ASN A 33 -8.630 -3.579 0.936 1.00 0.00 C ATOM 470 O ASN A 33 -8.926 -4.773 0.944 1.00 0.00 O ATOM 471 CB ASN A 33 -9.768 -2.059 2.524 1.00 0.00 C ATOM 472 CG ASN A 33 -10.971 -3.001 2.448 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.059 -3.996 3.149 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.890 -2.634 1.560 1.00 0.00 N ATOM 0 H ASN A 33 -7.562 -1.014 1.658 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.257 -3.489 3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.725 -1.598 3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.887 -1.253 1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.731 -3.197 1.434 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.754 -1.789 1.005 1.00 0.00 H new ATOM 481 N ARG A 34 -8.431 -2.862 -0.161 1.00 0.00 N ATOM 482 CA ARG A 34 -8.555 -3.461 -1.479 1.00 0.00 C ATOM 483 C ARG A 34 -7.576 -4.629 -1.625 1.00 0.00 C ATOM 484 O ARG A 34 -7.826 -5.561 -2.388 1.00 0.00 O ATOM 485 CB ARG A 34 -8.280 -2.434 -2.579 1.00 0.00 C ATOM 486 CG ARG A 34 -9.209 -2.651 -3.775 1.00 0.00 C ATOM 487 CD ARG A 34 -10.670 -2.732 -3.328 1.00 0.00 C ATOM 488 NE ARG A 34 -11.150 -4.129 -3.418 1.00 0.00 N ATOM 489 CZ ARG A 34 -11.538 -4.718 -4.557 1.00 0.00 C ATOM 490 NH1 ARG A 34 -11.506 -4.035 -5.710 1.00 0.00 N ATOM 491 NH2 ARG A 34 -11.959 -5.990 -4.544 1.00 0.00 N ATOM 0 H ARG A 34 -8.185 -1.872 -0.164 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.578 -3.824 -1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.418 -1.427 -2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.242 -2.510 -2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.088 -1.835 -4.487 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.932 -3.569 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.766 -2.371 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.287 -2.086 -3.953 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.188 -4.678 -2.559 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.186 -3.067 -5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.801 -4.484 -6.577 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.984 -6.510 -3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.254 -6.438 -5.411 1.00 0.00 H new ATOM 505 N GLY A 35 -6.483 -4.539 -0.882 1.00 0.00 N ATOM 506 CA GLY A 35 -5.466 -5.576 -0.920 1.00 0.00 C ATOM 507 C GLY A 35 -4.108 -4.998 -1.321 1.00 0.00 C ATOM 508 O GLY A 35 -3.640 -5.220 -2.437 1.00 0.00 O ATOM 0 H GLY A 35 -6.279 -3.764 -0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.389 -6.050 0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.759 -6.351 -1.628 1.00 0.00 H new ATOM 512 N CYS A 36 -3.513 -4.267 -0.390 1.00 0.00 N ATOM 513 CA CYS A 36 -2.218 -3.655 -0.633 1.00 0.00 C ATOM 514 C CYS A 36 -1.916 -2.695 0.519 1.00 0.00 C ATOM 515 O CYS A 36 -2.483 -2.823 1.603 1.00 0.00 O ATOM 516 CB CYS A 36 -2.171 -2.950 -1.991 1.00 0.00 C ATOM 517 SG CYS A 36 -0.823 -3.504 -3.097 1.00 0.00 S ATOM 0 H CYS A 36 -3.904 -4.085 0.534 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.450 -4.427 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.124 -3.104 -2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.068 -1.878 -1.825 1.00 0.00 H new ATOM 522 N CYS A 37 -1.024 -1.754 0.245 1.00 0.00 N ATOM 523 CA CYS A 37 -0.641 -0.773 1.246 1.00 0.00 C ATOM 524 C CYS A 37 -0.961 0.620 0.700 1.00 0.00 C ATOM 525 O CYS A 37 -0.936 0.837 -0.511 1.00 0.00 O ATOM 526 CB CYS A 37 0.833 -0.908 1.635 1.00 0.00 C ATOM 527 SG CYS A 37 1.156 -2.044 3.034 1.00 0.00 S ATOM 0 H CYS A 37 -0.556 -1.650 -0.655 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.208 -0.943 2.161 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.393 -1.255 0.767 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.219 0.079 1.890 1.00 0.00 H new ATOM 532 N PHE A 38 -1.254 1.528 1.619 1.00 0.00 N ATOM 533 CA PHE A 38 -1.578 2.894 1.245 1.00 0.00 C ATOM 534 C PHE A 38 -0.522 3.871 1.765 1.00 0.00 C ATOM 535 O PHE A 38 0.374 3.482 2.514 1.00 0.00 O ATOM 536 CB PHE A 38 -2.925 3.227 1.891 1.00 0.00 C ATOM 537 CG PHE A 38 -3.339 4.693 1.747 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.964 5.114 0.614 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.083 5.574 2.750 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.348 6.475 0.480 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.467 6.935 2.616 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.092 7.356 1.483 1.00 0.00 C ATOM 0 H PHE A 38 -1.274 1.344 2.622 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.613 2.983 0.159 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.695 2.597 1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.880 2.975 2.951 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.168 4.414 -0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.587 5.239 3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.844 6.810 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.263 7.635 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.385 8.391 1.381 1.00 0.00 H new ATOM 552 N ASP A 39 -0.660 5.121 1.348 1.00 0.00 N ATOM 553 CA ASP A 39 0.271 6.156 1.762 1.00 0.00 C ATOM 554 C ASP A 39 -0.130 7.485 1.118 1.00 0.00 C ATOM 555 O ASP A 39 -0.559 7.515 -0.035 1.00 0.00 O ATOM 556 CB ASP A 39 1.696 5.825 1.315 1.00 0.00 C ATOM 557 CG ASP A 39 2.732 6.916 1.596 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.219 6.953 2.747 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.014 7.688 0.655 1.00 0.00 O ATOM 0 H ASP A 39 -1.404 5.440 0.727 1.00 0.00 H new ATOM 0 HA ASP A 39 0.240 6.222 2.850 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.013 4.908 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.687 5.621 0.244 1.00 0.00 H new ATOM 564 N SER A 40 0.023 8.550 1.890 1.00 0.00 N ATOM 565 CA SER A 40 -0.319 9.878 1.409 1.00 0.00 C ATOM 566 C SER A 40 0.827 10.850 1.700 1.00 0.00 C ATOM 567 O SER A 40 0.638 12.065 1.668 1.00 0.00 O ATOM 568 CB SER A 40 -1.615 10.379 2.049 1.00 0.00 C ATOM 569 OG SER A 40 -1.459 10.636 3.442 1.00 0.00 O ATOM 0 H SER A 40 0.379 8.521 2.845 1.00 0.00 H new ATOM 0 HA SER A 40 -0.476 9.822 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.939 11.290 1.546 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.401 9.638 1.903 1.00 0.00 H new ATOM 0 HG SER A 40 -2.308 10.956 3.813 1.00 0.00 H new ATOM 575 N ARG A 41 1.990 10.279 1.977 1.00 0.00 N ATOM 576 CA ARG A 41 3.165 11.080 2.273 1.00 0.00 C ATOM 577 C ARG A 41 3.486 12.006 1.099 1.00 0.00 C ATOM 578 O ARG A 41 3.639 13.213 1.280 1.00 0.00 O ATOM 579 CB ARG A 41 4.378 10.192 2.560 1.00 0.00 C ATOM 580 CG ARG A 41 5.160 10.706 3.770 1.00 0.00 C ATOM 581 CD ARG A 41 6.668 10.642 3.516 1.00 0.00 C ATOM 582 NE ARG A 41 7.276 11.972 3.741 1.00 0.00 N ATOM 583 CZ ARG A 41 7.268 12.613 4.918 1.00 0.00 C ATOM 584 NH1 ARG A 41 6.683 12.049 5.984 1.00 0.00 N ATOM 585 NH2 ARG A 41 7.845 13.818 5.029 1.00 0.00 N ATOM 0 H ARG A 41 2.143 9.271 2.003 1.00 0.00 H new ATOM 0 HA ARG A 41 2.946 11.675 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.049 9.169 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.029 10.166 1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.867 11.733 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.910 10.111 4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.126 9.907 4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.859 10.314 2.494 1.00 0.00 H new ATOM 0 HE ARG A 41 7.730 12.430 2.951 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.244 11.132 5.899 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.677 12.537 6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.290 14.247 4.218 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.839 14.306 5.925 1.00 0.00 H new ATOM 599 N ILE A 42 3.578 11.406 -0.079 1.00 0.00 N ATOM 600 CA ILE A 42 3.877 12.163 -1.283 1.00 0.00 C ATOM 601 C ILE A 42 3.079 11.586 -2.454 1.00 0.00 C ATOM 602 O ILE A 42 3.016 10.371 -2.629 1.00 0.00 O ATOM 603 CB ILE A 42 5.387 12.203 -1.529 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.086 11.030 -0.838 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.975 13.551 -1.106 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.577 9.693 -1.378 1.00 0.00 C ATOM 0 H ILE A 42 3.451 10.405 -0.225 1.00 0.00 H new ATOM 0 HA ILE A 42 3.568 13.202 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 42 5.562 12.097 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.163 11.102 -0.992 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.913 11.081 0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.049 13.554 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.506 14.349 -1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.789 13.712 -0.044 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.090 8.876 -0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.504 9.614 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.773 9.635 -2.449 1.00 0.00 H new ATOM 618 N PRO A 43 2.473 12.511 -3.247 1.00 0.00 N ATOM 619 CA PRO A 43 1.681 12.107 -4.396 1.00 0.00 C ATOM 620 C PRO A 43 2.580 11.656 -5.550 1.00 0.00 C ATOM 621 O PRO A 43 2.251 10.710 -6.263 1.00 0.00 O ATOM 622 CB PRO A 43 0.839 13.325 -4.740 1.00 0.00 C ATOM 623 CG PRO A 43 1.521 14.506 -4.071 1.00 0.00 C ATOM 624 CD PRO A 43 2.526 13.959 -3.070 1.00 0.00 C ATOM 0 HA PRO A 43 1.046 11.246 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.781 13.468 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.183 13.208 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.021 15.128 -4.813 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.787 15.136 -3.569 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.527 14.345 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.265 14.243 -2.051 1.00 0.00 H new ATOM 632 N GLY A 44 3.696 12.355 -5.697 1.00 0.00 N ATOM 633 CA GLY A 44 4.644 12.038 -6.751 1.00 0.00 C ATOM 634 C GLY A 44 4.828 10.526 -6.887 1.00 0.00 C ATOM 635 O GLY A 44 5.101 10.025 -7.977 1.00 0.00 O ATOM 0 H GLY A 44 3.965 13.140 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.293 12.452 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.604 12.507 -6.534 1.00 0.00 H new ATOM 639 N VAL A 45 4.671 9.840 -5.764 1.00 0.00 N ATOM 640 CA VAL A 45 4.816 8.394 -5.744 1.00 0.00 C ATOM 641 C VAL A 45 3.431 7.747 -5.699 1.00 0.00 C ATOM 642 O VAL A 45 2.426 8.434 -5.520 1.00 0.00 O ATOM 643 CB VAL A 45 5.710 7.974 -4.575 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.688 9.091 -4.204 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.871 7.557 -3.365 1.00 0.00 C ATOM 0 H VAL A 45 4.445 10.259 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 45 5.307 8.047 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 45 6.293 7.109 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.311 8.767 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.320 9.321 -5.062 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.130 9.982 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.531 7.263 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.250 8.395 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.233 6.716 -3.637 1.00 0.00 H new ATOM 655 N PRO A 46 3.421 6.398 -5.870 1.00 0.00 N ATOM 656 CA PRO A 46 2.175 5.650 -5.851 1.00 0.00 C ATOM 657 C PRO A 46 1.642 5.508 -4.424 1.00 0.00 C ATOM 658 O PRO A 46 1.991 4.562 -3.719 1.00 0.00 O ATOM 659 CB PRO A 46 2.508 4.315 -6.497 1.00 0.00 C ATOM 660 CG PRO A 46 4.021 4.185 -6.431 1.00 0.00 C ATOM 661 CD PRO A 46 4.591 5.551 -6.085 1.00 0.00 C ATOM 0 HA PRO A 46 1.375 6.152 -6.395 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.022 3.494 -5.970 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.158 4.282 -7.529 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.309 3.450 -5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.416 3.837 -7.385 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.216 5.505 -5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.215 5.935 -6.892 1.00 0.00 H new ATOM 669 N TRP A 47 0.806 6.461 -4.041 1.00 0.00 N ATOM 670 CA TRP A 47 0.222 6.454 -2.710 1.00 0.00 C ATOM 671 C TRP A 47 0.002 4.997 -2.299 1.00 0.00 C ATOM 672 O TRP A 47 0.450 4.575 -1.233 1.00 0.00 O ATOM 673 CB TRP A 47 -1.060 7.287 -2.670 1.00 0.00 C ATOM 674 CG TRP A 47 -0.834 8.763 -2.337 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.257 9.504 -2.575 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.770 9.653 -1.693 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.094 10.801 -2.133 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.178 10.894 -1.579 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.073 9.416 -1.222 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.815 11.997 -0.997 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.696 10.528 -0.643 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.114 11.785 -0.521 1.00 0.00 C ATOM 0 H TRP A 47 0.519 7.244 -4.629 1.00 0.00 H new ATOM 0 HA TRP A 47 0.894 6.921 -1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.558 7.216 -3.637 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.737 6.858 -1.931 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.152 9.133 -3.053 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.780 11.553 -2.200 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.555 8.453 -1.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.330 12.959 -0.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.699 10.401 -0.264 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.662 12.594 -0.061 1.00 0.00 H new ATOM 693 N CYS A 48 -0.688 4.268 -3.164 1.00 0.00 N ATOM 694 CA CYS A 48 -0.973 2.868 -2.904 1.00 0.00 C ATOM 695 C CYS A 48 0.110 2.024 -3.579 1.00 0.00 C ATOM 696 O CYS A 48 0.153 1.927 -4.805 1.00 0.00 O ATOM 697 CB CYS A 48 -2.376 2.479 -3.374 1.00 0.00 C ATOM 698 SG CYS A 48 -3.048 0.958 -2.610 1.00 0.00 S ATOM 0 H CYS A 48 -1.058 4.622 -4.046 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.958 2.685 -1.830 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.056 3.305 -3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.358 2.348 -4.456 1.00 0.00 H new ATOM 703 N PHE A 49 0.959 1.434 -2.750 1.00 0.00 N ATOM 704 CA PHE A 49 2.038 0.601 -3.252 1.00 0.00 C ATOM 705 C PHE A 49 2.053 -0.759 -2.551 1.00 0.00 C ATOM 706 O PHE A 49 1.448 -0.923 -1.492 1.00 0.00 O ATOM 707 CB PHE A 49 3.347 1.333 -2.947 1.00 0.00 C ATOM 708 CG PHE A 49 3.433 1.885 -1.522 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.583 1.035 -0.471 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.361 3.226 -1.307 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.663 1.547 0.851 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.441 3.738 0.015 1.00 0.00 C ATOM 713 CZ PHE A 49 3.591 2.888 1.066 1.00 0.00 C ATOM 0 H PHE A 49 0.921 1.517 -1.734 1.00 0.00 H new ATOM 0 HA PHE A 49 1.908 0.428 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.180 0.650 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.464 2.156 -3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.641 -0.030 -0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.243 3.901 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.781 0.872 1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.383 4.803 0.186 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.653 3.278 2.071 1.00 0.00 H new ATOM 723 N LYS A 50 2.751 -1.700 -3.169 1.00 0.00 N ATOM 724 CA LYS A 50 2.853 -3.041 -2.618 1.00 0.00 C ATOM 725 C LYS A 50 3.595 -2.983 -1.281 1.00 0.00 C ATOM 726 O LYS A 50 4.255 -1.991 -0.976 1.00 0.00 O ATOM 727 CB LYS A 50 3.489 -3.991 -3.634 1.00 0.00 C ATOM 728 CG LYS A 50 2.540 -4.260 -4.803 1.00 0.00 C ATOM 729 CD LYS A 50 2.566 -5.737 -5.203 1.00 0.00 C ATOM 730 CE LYS A 50 2.726 -5.892 -6.716 1.00 0.00 C ATOM 731 NZ LYS A 50 1.770 -6.895 -7.238 1.00 0.00 N ATOM 0 H LYS A 50 3.252 -1.561 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 50 1.862 -3.446 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.418 -3.561 -4.007 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.746 -4.931 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.526 -3.973 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.824 -3.644 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.387 -6.241 -4.693 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.645 -6.221 -4.880 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.559 -4.933 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.746 -6.196 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.892 -6.988 -8.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.948 -7.813 -6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.798 -6.589 -7.031 1.00 0.00 H new ATOM 745 N PRO A 51 3.457 -4.087 -0.499 1.00 0.00 N ATOM 746 CA PRO A 51 4.106 -4.171 0.799 1.00 0.00 C ATOM 747 C PRO A 51 5.607 -4.425 0.645 1.00 0.00 C ATOM 748 O PRO A 51 6.014 -5.444 0.089 1.00 0.00 O ATOM 749 CB PRO A 51 3.386 -5.293 1.527 1.00 0.00 C ATOM 750 CG PRO A 51 2.677 -6.101 0.452 1.00 0.00 C ATOM 751 CD PRO A 51 2.682 -5.280 -0.827 1.00 0.00 C ATOM 0 HA PRO A 51 4.040 -3.241 1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.090 -5.914 2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.674 -4.895 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.182 -7.054 0.296 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.655 -6.328 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.135 -5.832 -1.650 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.669 -5.022 -1.136 1.00 0.00 H new ATOM 759 N LEU A 52 6.389 -3.480 1.147 1.00 0.00 N ATOM 760 CA LEU A 52 7.836 -3.588 1.073 1.00 0.00 C ATOM 761 C LEU A 52 8.241 -5.057 1.219 1.00 0.00 C ATOM 762 O LEU A 52 7.790 -5.741 2.136 1.00 0.00 O ATOM 763 CB LEU A 52 8.496 -2.663 2.097 1.00 0.00 C ATOM 764 CG LEU A 52 10.001 -2.851 2.299 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.586 -1.719 3.146 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.308 -4.228 2.891 1.00 0.00 C ATOM 0 H LEU A 52 6.047 -2.636 1.607 1.00 0.00 H new ATOM 0 HA LEU A 52 8.194 -3.253 0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.316 -1.631 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.000 -2.804 3.057 1.00 0.00 H new ATOM 0 HG LEU A 52 10.485 -2.806 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.657 -1.877 3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.417 -0.766 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.101 -1.707 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.385 -4.335 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.811 -4.328 3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.947 -5.003 2.215 1.00 0.00 H new ATOM 778 N GLN A 53 9.088 -5.497 0.300 1.00 0.00 N ATOM 779 CA GLN A 53 9.560 -6.872 0.315 1.00 0.00 C ATOM 780 C GLN A 53 10.325 -7.157 1.609 1.00 0.00 C ATOM 781 O GLN A 53 11.555 -7.160 1.619 1.00 0.00 O ATOM 782 CB GLN A 53 10.426 -7.168 -0.911 1.00 0.00 C ATOM 783 CG GLN A 53 11.363 -5.997 -1.215 1.00 0.00 C ATOM 784 CD GLN A 53 10.910 -5.243 -2.467 1.00 0.00 C ATOM 785 OE1 GLN A 53 10.533 -5.824 -3.471 1.00 0.00 O ATOM 786 NE2 GLN A 53 10.968 -3.919 -2.352 1.00 0.00 N ATOM 0 H GLN A 53 9.460 -4.926 -0.459 1.00 0.00 H new ATOM 0 HA GLN A 53 8.694 -7.533 0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.011 -8.071 -0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.788 -7.362 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.387 -5.316 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.379 -6.367 -1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.293 -3.496 -1.483 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.687 -3.326 -3.133 1.00 0.00 H new ATOM 795 N GLU A 54 9.565 -7.388 2.669 1.00 0.00 N ATOM 796 CA GLU A 54 10.156 -7.674 3.965 1.00 0.00 C ATOM 797 C GLU A 54 11.267 -8.716 3.824 1.00 0.00 C ATOM 798 O GLU A 54 11.020 -9.835 3.376 1.00 0.00 O ATOM 799 CB GLU A 54 9.093 -8.137 4.963 1.00 0.00 C ATOM 800 CG GLU A 54 8.852 -9.644 4.847 1.00 0.00 C ATOM 801 CD GLU A 54 7.550 -10.046 5.543 1.00 0.00 C ATOM 802 OE1 GLU A 54 6.499 -9.962 4.872 1.00 0.00 O ATOM 803 OE2 GLU A 54 7.635 -10.428 6.730 1.00 0.00 O ATOM 0 H GLU A 54 8.545 -7.383 2.657 1.00 0.00 H new ATOM 0 HA GLU A 54 10.595 -6.755 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.410 -7.893 5.977 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.161 -7.601 4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.810 -9.929 3.796 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.688 -10.185 5.291 1.00 0.00 H new ATOM 810 N ALA A 55 12.467 -8.312 4.215 1.00 0.00 N ATOM 811 CA ALA A 55 13.617 -9.198 4.138 1.00 0.00 C ATOM 812 C ALA A 55 14.702 -8.702 5.096 1.00 0.00 C ATOM 813 O ALA A 55 15.028 -9.377 6.072 1.00 0.00 O ATOM 814 CB ALA A 55 14.107 -9.273 2.691 1.00 0.00 C ATOM 0 H ALA A 55 12.668 -7.383 4.586 1.00 0.00 H new ATOM 0 HA ALA A 55 13.345 -10.208 4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.969 -9.937 2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.309 -9.658 2.056 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.392 -8.277 2.351 1.00 0.00 H new ATOM 820 N GLU A 56 15.230 -7.528 4.785 1.00 0.00 N ATOM 821 CA GLU A 56 16.271 -6.934 5.607 1.00 0.00 C ATOM 822 C GLU A 56 15.898 -7.028 7.087 1.00 0.00 C ATOM 823 O GLU A 56 14.780 -7.414 7.426 1.00 0.00 O ATOM 824 CB GLU A 56 16.532 -5.483 5.198 1.00 0.00 C ATOM 825 CG GLU A 56 17.735 -5.386 4.257 1.00 0.00 C ATOM 826 CD GLU A 56 18.681 -4.265 4.691 1.00 0.00 C ATOM 827 OE1 GLU A 56 18.288 -3.091 4.516 1.00 0.00 O ATOM 828 OE2 GLU A 56 19.776 -4.607 5.188 1.00 0.00 O ATOM 0 H GLU A 56 14.957 -6.972 3.975 1.00 0.00 H new ATOM 0 HA GLU A 56 17.194 -7.493 5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 56 15.648 -5.075 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 56 16.711 -4.878 6.087 1.00 0.00 H new ATOM 0 HG2 GLU A 56 18.271 -6.335 4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.391 -5.203 3.239 1.00 0.00 H new ATOM 835 N CYS A 57 16.855 -6.669 7.930 1.00 0.00 N ATOM 836 CA CYS A 57 16.640 -6.708 9.367 1.00 0.00 C ATOM 837 C CYS A 57 16.498 -8.171 9.792 1.00 0.00 C ATOM 838 O CYS A 57 15.434 -8.589 10.244 1.00 0.00 O ATOM 839 CB CYS A 57 15.426 -5.873 9.780 1.00 0.00 C ATOM 840 SG CYS A 57 15.820 -4.195 10.392 1.00 0.00 S ATOM 0 H CYS A 57 17.781 -6.350 7.646 1.00 0.00 H new ATOM 0 HA CYS A 57 17.495 -6.264 9.877 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.756 -5.784 8.925 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.882 -6.409 10.557 1.00 0.00 H new ATOM 0 HG CYS A 57 14.720 -3.580 10.710 1.00 0.00 H new ATOM 845 N THR A 58 17.587 -8.908 9.632 1.00 0.00 N ATOM 846 CA THR A 58 17.598 -10.316 9.994 1.00 0.00 C ATOM 847 C THR A 58 18.140 -10.497 11.413 1.00 0.00 C ATOM 848 O THR A 58 17.414 -10.928 12.308 1.00 0.00 O ATOM 849 CB THR A 58 18.404 -11.070 8.934 1.00 0.00 C ATOM 850 OG1 THR A 58 19.580 -10.284 8.768 1.00 0.00 O ATOM 851 CG2 THR A 58 17.736 -11.038 7.558 1.00 0.00 C ATOM 0 H THR A 58 18.468 -8.557 9.257 1.00 0.00 H new ATOM 0 HA THR A 58 16.589 -10.729 10.010 1.00 0.00 H new ATOM 0 HB THR A 58 18.538 -12.105 9.248 1.00 0.00 H new ATOM 0 HG1 THR A 58 20.161 -10.702 8.098 1.00 0.00 H new ATOM 0 HG21 THR A 58 18.349 -11.587 6.843 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.751 -11.499 7.621 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.632 -10.004 7.228 1.00 0.00 H new ATOM 859 N PHE A 59 19.411 -10.160 11.574 1.00 0.00 N ATOM 860 CA PHE A 59 20.059 -10.281 12.869 1.00 0.00 C ATOM 861 C PHE A 59 20.727 -8.965 13.273 1.00 0.00 C ATOM 862 O PHE A 59 21.147 -8.189 12.416 1.00 0.00 O ATOM 863 CB PHE A 59 21.132 -11.363 12.734 1.00 0.00 C ATOM 864 CG PHE A 59 21.409 -12.131 14.028 1.00 0.00 C ATOM 865 CD1 PHE A 59 22.233 -11.600 14.970 1.00 0.00 C ATOM 866 CD2 PHE A 59 20.831 -13.344 14.236 1.00 0.00 C ATOM 867 CE1 PHE A 59 22.490 -12.312 16.172 1.00 0.00 C ATOM 868 CE2 PHE A 59 21.088 -14.056 15.437 1.00 0.00 C ATOM 869 CZ PHE A 59 21.912 -13.525 16.380 1.00 0.00 C ATOM 0 H PHE A 59 20.010 -9.803 10.829 1.00 0.00 H new ATOM 0 HA PHE A 59 19.322 -10.533 13.631 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.825 -12.070 11.963 1.00 0.00 H new ATOM 0 HB3 PHE A 59 22.058 -10.901 12.393 1.00 0.00 H new ATOM 0 HD1 PHE A 59 22.692 -10.637 14.804 1.00 0.00 H new ATOM 0 HD2 PHE A 59 20.176 -13.766 13.488 1.00 0.00 H new ATOM 0 HE1 PHE A 59 23.144 -11.890 16.920 1.00 0.00 H new ATOM 0 HE2 PHE A 59 20.629 -15.020 15.602 1.00 0.00 H new ATOM 0 HZ PHE A 59 22.107 -14.067 17.294 1.00 0.00 H new TER 879 PHE A 59