USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 729 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.178) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= 0.0443 (180deg=-0.0086) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 30:sc= 0.926 USER MOD Single : A 53 ASN : amide:sc=-0.00404 X(o=-0.004,f=-0.038) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.038) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 85:sc= 0.0683 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.172 -21.323 -0.792 1.00 0.00 N ATOM 2 CA MET A 1 -15.124 -20.289 -0.423 1.00 0.00 C ATOM 3 C MET A 1 -14.680 -19.564 0.849 1.00 0.00 C ATOM 4 O MET A 1 -14.184 -20.191 1.784 1.00 0.00 O ATOM 5 CB MET A 1 -16.500 -20.918 -0.198 1.00 0.00 C ATOM 6 CG MET A 1 -17.552 -20.275 -1.105 1.00 0.00 C ATOM 7 SD MET A 1 -19.138 -21.052 -0.847 1.00 0.00 S ATOM 8 CE MET A 1 -20.187 -19.919 -1.742 1.00 0.00 C ATOM 0 H1 MET A 1 -14.496 -21.800 -1.658 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.240 -20.893 -0.961 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.098 -22.017 -0.021 1.00 0.00 H new ATOM 0 HA MET A 1 -15.175 -19.563 -1.234 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.451 -21.989 -0.395 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.792 -20.799 0.845 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.622 -19.208 -0.895 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.254 -20.375 -2.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.222 -20.257 -1.683 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.105 -18.924 -1.304 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.876 -19.883 -2.786 1.00 0.00 H new ATOM 18 N SER A 2 -14.873 -18.253 0.843 1.00 0.00 N ATOM 19 CA SER A 2 -14.499 -17.436 1.985 1.00 0.00 C ATOM 20 C SER A 2 -15.181 -16.069 1.897 1.00 0.00 C ATOM 21 O SER A 2 -15.874 -15.656 2.825 1.00 0.00 O ATOM 22 CB SER A 2 -12.980 -17.268 2.067 1.00 0.00 C ATOM 23 OG SER A 2 -12.602 -16.312 3.054 1.00 0.00 O ATOM 0 H SER A 2 -15.284 -17.736 0.065 1.00 0.00 H new ATOM 0 HA SER A 2 -14.831 -17.942 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.521 -18.229 2.298 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.596 -16.957 1.095 1.00 0.00 H new ATOM 0 HG SER A 2 -11.625 -16.234 3.077 1.00 0.00 H new ATOM 29 N THR A 3 -14.960 -15.405 0.772 1.00 0.00 N ATOM 30 CA THR A 3 -15.545 -14.094 0.550 1.00 0.00 C ATOM 31 C THR A 3 -15.205 -13.156 1.710 1.00 0.00 C ATOM 32 O THR A 3 -15.996 -13.001 2.639 1.00 0.00 O ATOM 33 CB THR A 3 -17.049 -14.276 0.337 1.00 0.00 C ATOM 34 OG1 THR A 3 -17.148 -14.854 -0.963 1.00 0.00 O ATOM 35 CG2 THR A 3 -17.788 -12.943 0.209 1.00 0.00 C ATOM 0 H THR A 3 -14.384 -15.751 0.005 1.00 0.00 H new ATOM 0 HA THR A 3 -15.131 -13.622 -0.341 1.00 0.00 H new ATOM 0 HB THR A 3 -17.467 -14.844 1.168 1.00 0.00 H new ATOM 0 HG1 THR A 3 -18.091 -15.008 -1.182 1.00 0.00 H new ATOM 0 HG21 THR A 3 -18.851 -13.129 0.059 1.00 0.00 H new ATOM 0 HG22 THR A 3 -17.646 -12.360 1.119 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.394 -12.389 -0.643 1.00 0.00 H new ATOM 43 N ASP A 4 -14.028 -12.554 1.617 1.00 0.00 N ATOM 44 CA ASP A 4 -13.574 -11.635 2.647 1.00 0.00 C ATOM 45 C ASP A 4 -14.449 -10.380 2.627 1.00 0.00 C ATOM 46 O ASP A 4 -14.943 -9.947 3.666 1.00 0.00 O ATOM 47 CB ASP A 4 -12.126 -11.206 2.403 1.00 0.00 C ATOM 48 CG ASP A 4 -11.084 -11.929 3.259 1.00 0.00 C ATOM 49 OD1 ASP A 4 -11.353 -12.999 3.824 1.00 0.00 O ATOM 50 OD2 ASP A 4 -9.939 -11.341 3.335 1.00 0.00 O ATOM 0 H ASP A 4 -13.375 -12.685 0.844 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.642 -12.145 3.608 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.887 -11.369 1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.045 -10.135 2.586 1.00 0.00 H new ATOM 55 N THR A 5 -14.614 -9.832 1.432 1.00 0.00 N ATOM 56 CA THR A 5 -15.421 -8.635 1.262 1.00 0.00 C ATOM 57 C THR A 5 -16.603 -8.916 0.332 1.00 0.00 C ATOM 58 O THR A 5 -16.476 -9.679 -0.625 1.00 0.00 O ATOM 59 CB THR A 5 -14.506 -7.516 0.762 1.00 0.00 C ATOM 60 OG1 THR A 5 -15.344 -6.363 0.748 1.00 0.00 O ATOM 61 CG2 THR A 5 -14.102 -7.700 -0.702 1.00 0.00 C ATOM 0 H THR A 5 -14.203 -10.195 0.572 1.00 0.00 H new ATOM 0 HA THR A 5 -15.861 -8.317 2.207 1.00 0.00 H new ATOM 0 HB THR A 5 -13.611 -7.474 1.383 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.830 -5.589 0.437 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.453 -6.879 -1.006 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.570 -8.645 -0.817 1.00 0.00 H new ATOM 0 HG23 THR A 5 -14.995 -7.708 -1.328 1.00 0.00 H new ATOM 69 N GLY A 6 -17.724 -8.285 0.646 1.00 0.00 N ATOM 70 CA GLY A 6 -18.928 -8.457 -0.150 1.00 0.00 C ATOM 71 C GLY A 6 -18.694 -8.023 -1.598 1.00 0.00 C ATOM 72 O GLY A 6 -18.495 -8.861 -2.477 1.00 0.00 O ATOM 0 H GLY A 6 -17.825 -7.654 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.239 -9.502 -0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -19.740 -7.873 0.282 1.00 0.00 H new ATOM 76 N VAL A 7 -18.727 -6.715 -1.803 1.00 0.00 N ATOM 77 CA VAL A 7 -18.521 -6.159 -3.129 1.00 0.00 C ATOM 78 C VAL A 7 -18.308 -4.648 -3.018 1.00 0.00 C ATOM 79 O VAL A 7 -19.132 -3.943 -2.438 1.00 0.00 O ATOM 80 CB VAL A 7 -19.693 -6.532 -4.040 1.00 0.00 C ATOM 81 CG1 VAL A 7 -20.971 -5.808 -3.613 1.00 0.00 C ATOM 82 CG2 VAL A 7 -19.362 -6.241 -5.506 1.00 0.00 C ATOM 0 H VAL A 7 -18.894 -6.023 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.625 -6.580 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 7 -19.866 -7.604 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -21.788 -6.091 -4.277 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -21.222 -6.086 -2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -20.815 -4.731 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -20.211 -6.515 -6.132 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -19.150 -5.179 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -18.489 -6.822 -5.804 1.00 0.00 H new ATOM 92 N SER A 8 -17.198 -4.196 -3.582 1.00 0.00 N ATOM 93 CA SER A 8 -16.867 -2.781 -3.553 1.00 0.00 C ATOM 94 C SER A 8 -17.487 -2.074 -4.760 1.00 0.00 C ATOM 95 O SER A 8 -17.171 -2.398 -5.903 1.00 0.00 O ATOM 96 CB SER A 8 -15.351 -2.571 -3.535 1.00 0.00 C ATOM 97 OG SER A 8 -14.831 -2.546 -2.209 1.00 0.00 O ATOM 0 H SER A 8 -16.516 -4.784 -4.062 1.00 0.00 H new ATOM 0 HA SER A 8 -17.277 -2.352 -2.639 1.00 0.00 H new ATOM 0 HB2 SER A 8 -14.868 -3.369 -4.099 1.00 0.00 H new ATOM 0 HB3 SER A 8 -15.109 -1.634 -4.037 1.00 0.00 H new ATOM 0 HG SER A 8 -13.861 -2.412 -2.241 1.00 0.00 H new ATOM 103 N LEU A 9 -18.357 -1.120 -4.463 1.00 0.00 N ATOM 104 CA LEU A 9 -19.024 -0.364 -5.509 1.00 0.00 C ATOM 105 C LEU A 9 -19.304 1.055 -5.008 1.00 0.00 C ATOM 106 O LEU A 9 -20.436 1.380 -4.655 1.00 0.00 O ATOM 107 CB LEU A 9 -20.274 -1.103 -5.991 1.00 0.00 C ATOM 108 CG LEU A 9 -20.908 -0.579 -7.281 1.00 0.00 C ATOM 109 CD1 LEU A 9 -20.395 -1.354 -8.497 1.00 0.00 C ATOM 110 CD2 LEU A 9 -22.435 -0.601 -7.191 1.00 0.00 C ATOM 0 H LEU A 9 -18.615 -0.853 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 9 -18.379 -0.273 -6.383 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -20.018 -2.153 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -21.023 -1.064 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 9 -20.609 0.461 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -20.861 -0.962 -9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -19.313 -1.243 -8.569 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -20.645 -2.409 -8.388 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -22.860 -0.223 -8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -22.775 -1.623 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -22.760 0.028 -6.362 1.00 0.00 H new ATOM 122 N PRO A 10 -18.224 1.882 -4.992 1.00 0.00 N ATOM 123 CA PRO A 10 -18.342 3.258 -4.541 1.00 0.00 C ATOM 124 C PRO A 10 -19.034 4.124 -5.595 1.00 0.00 C ATOM 125 O PRO A 10 -20.024 4.792 -5.302 1.00 0.00 O ATOM 126 CB PRO A 10 -16.917 3.700 -4.250 1.00 0.00 C ATOM 127 CG PRO A 10 -16.018 2.720 -4.988 1.00 0.00 C ATOM 128 CD PRO A 10 -16.868 1.530 -5.403 1.00 0.00 C ATOM 0 HA PRO A 10 -18.965 3.357 -3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -16.747 4.721 -4.593 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.714 3.686 -3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.573 3.195 -5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.197 2.398 -4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -16.812 1.359 -6.478 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -16.532 0.614 -4.917 1.00 0.00 H new ATOM 136 N SER A 11 -18.484 4.084 -6.800 1.00 0.00 N ATOM 137 CA SER A 11 -19.036 4.857 -7.900 1.00 0.00 C ATOM 138 C SER A 11 -18.539 4.298 -9.234 1.00 0.00 C ATOM 139 O SER A 11 -19.339 3.959 -10.106 1.00 0.00 O ATOM 140 CB SER A 11 -18.666 6.336 -7.774 1.00 0.00 C ATOM 141 OG SER A 11 -19.744 7.190 -8.146 1.00 0.00 O ATOM 0 H SER A 11 -17.662 3.529 -7.039 1.00 0.00 H new ATOM 0 HA SER A 11 -20.122 4.777 -7.862 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.372 6.550 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.802 6.548 -8.403 1.00 0.00 H new ATOM 0 HG SER A 11 -19.468 8.126 -8.050 1.00 0.00 H new ATOM 147 N TYR A 12 -17.222 4.217 -9.352 1.00 0.00 N ATOM 148 CA TYR A 12 -16.609 3.704 -10.565 1.00 0.00 C ATOM 149 C TYR A 12 -16.644 2.175 -10.593 1.00 0.00 C ATOM 150 O TYR A 12 -16.394 1.526 -9.578 1.00 0.00 O ATOM 151 CB TYR A 12 -15.152 4.169 -10.530 1.00 0.00 C ATOM 152 CG TYR A 12 -14.632 4.691 -11.871 1.00 0.00 C ATOM 153 CD1 TYR A 12 -14.054 3.821 -12.773 1.00 0.00 C ATOM 154 CD2 TYR A 12 -14.742 6.032 -12.179 1.00 0.00 C ATOM 155 CE1 TYR A 12 -13.566 4.312 -14.036 1.00 0.00 C ATOM 156 CE2 TYR A 12 -14.254 6.523 -13.441 1.00 0.00 C ATOM 157 CZ TYR A 12 -13.690 5.639 -14.307 1.00 0.00 C ATOM 158 OH TYR A 12 -13.228 6.103 -15.499 1.00 0.00 O ATOM 0 H TYR A 12 -16.562 4.498 -8.627 1.00 0.00 H new ATOM 0 HA TYR A 12 -17.141 4.063 -11.446 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -15.050 4.955 -9.782 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.524 3.339 -10.207 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -13.968 2.772 -12.532 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.194 6.713 -11.473 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -13.112 3.642 -14.751 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -14.334 7.570 -13.694 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.384 7.069 -15.557 1.00 0.00 H new ATOM 168 N GLU A 13 -16.956 1.643 -11.766 1.00 0.00 N ATOM 169 CA GLU A 13 -17.027 0.202 -11.939 1.00 0.00 C ATOM 170 C GLU A 13 -15.695 -0.445 -11.553 1.00 0.00 C ATOM 171 O GLU A 13 -15.649 -1.294 -10.664 1.00 0.00 O ATOM 172 CB GLU A 13 -17.416 -0.159 -13.374 1.00 0.00 C ATOM 173 CG GLU A 13 -18.765 -0.880 -13.411 1.00 0.00 C ATOM 174 CD GLU A 13 -18.716 -2.177 -12.601 1.00 0.00 C ATOM 175 OE1 GLU A 13 -17.627 -2.725 -12.373 1.00 0.00 O ATOM 176 OE2 GLU A 13 -19.862 -2.615 -12.203 1.00 0.00 O ATOM 0 H GLU A 13 -17.162 2.184 -12.606 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.802 -0.186 -11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.466 0.746 -13.980 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -16.648 -0.795 -13.814 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.541 -0.227 -13.012 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.035 -1.102 -14.444 1.00 0.00 H new ATOM 183 N GLU A 14 -14.646 -0.019 -12.240 1.00 0.00 N ATOM 184 CA GLU A 14 -13.317 -0.547 -11.979 1.00 0.00 C ATOM 185 C GLU A 14 -13.286 -2.056 -12.231 1.00 0.00 C ATOM 186 O GLU A 14 -14.302 -2.734 -12.082 1.00 0.00 O ATOM 187 CB GLU A 14 -12.866 -0.219 -10.555 1.00 0.00 C ATOM 188 CG GLU A 14 -12.180 1.147 -10.497 1.00 0.00 C ATOM 189 CD GLU A 14 -10.819 1.049 -9.805 1.00 0.00 C ATOM 190 OE1 GLU A 14 -10.568 0.086 -9.065 1.00 0.00 O ATOM 191 OE2 GLU A 14 -10.007 2.019 -10.058 1.00 0.00 O ATOM 0 H GLU A 14 -14.689 0.685 -12.977 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.617 -0.070 -12.665 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.727 -0.226 -9.887 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.181 -0.989 -10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.051 1.536 -11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.814 1.854 -9.962 1.00 0.00 H new ATOM 198 N ASP A 15 -12.111 -2.537 -12.607 1.00 0.00 N ATOM 199 CA ASP A 15 -11.935 -3.953 -12.880 1.00 0.00 C ATOM 200 C ASP A 15 -11.753 -4.704 -11.559 1.00 0.00 C ATOM 201 O ASP A 15 -11.285 -4.133 -10.575 1.00 0.00 O ATOM 202 CB ASP A 15 -10.692 -4.198 -13.738 1.00 0.00 C ATOM 203 CG ASP A 15 -10.683 -5.526 -14.499 1.00 0.00 C ATOM 204 OD1 ASP A 15 -10.629 -6.608 -13.895 1.00 0.00 O ATOM 205 OD2 ASP A 15 -10.735 -5.418 -15.783 1.00 0.00 O ATOM 0 H ASP A 15 -11.271 -1.971 -12.729 1.00 0.00 H new ATOM 0 HA ASP A 15 -12.817 -4.306 -13.414 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.599 -3.384 -14.457 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.812 -4.158 -13.096 1.00 0.00 H new ATOM 210 N GLN A 16 -12.131 -5.974 -11.580 1.00 0.00 N ATOM 211 CA GLN A 16 -12.016 -6.809 -10.397 1.00 0.00 C ATOM 212 C GLN A 16 -11.061 -7.975 -10.661 1.00 0.00 C ATOM 213 O GLN A 16 -10.165 -8.241 -9.862 1.00 0.00 O ATOM 214 CB GLN A 16 -13.388 -7.315 -9.946 1.00 0.00 C ATOM 215 CG GLN A 16 -13.977 -8.287 -10.970 1.00 0.00 C ATOM 216 CD GLN A 16 -15.424 -8.639 -10.622 1.00 0.00 C ATOM 217 OE1 GLN A 16 -15.704 -9.560 -9.871 1.00 0.00 O ATOM 218 NE2 GLN A 16 -16.327 -7.858 -11.208 1.00 0.00 N ATOM 0 H GLN A 16 -12.517 -6.445 -12.398 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.605 -6.204 -9.588 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.297 -7.810 -8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.064 -6.471 -9.809 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.936 -7.842 -11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.376 -9.195 -11.002 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.025 -7.104 -11.826 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.321 -8.013 -11.040 1.00 0.00 H new ATOM 227 N GLY A 17 -11.286 -8.639 -11.785 1.00 0.00 N ATOM 228 CA GLY A 17 -10.457 -9.770 -12.165 1.00 0.00 C ATOM 229 C GLY A 17 -8.991 -9.522 -11.802 1.00 0.00 C ATOM 230 O GLY A 17 -8.401 -10.280 -11.034 1.00 0.00 O ATOM 0 H GLY A 17 -12.031 -8.415 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.812 -10.670 -11.664 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.545 -9.946 -13.237 1.00 0.00 H new ATOM 234 N SER A 18 -8.446 -8.458 -12.373 1.00 0.00 N ATOM 235 CA SER A 18 -7.061 -8.100 -12.120 1.00 0.00 C ATOM 236 C SER A 18 -6.757 -8.211 -10.624 1.00 0.00 C ATOM 237 O SER A 18 -5.762 -8.820 -10.233 1.00 0.00 O ATOM 238 CB SER A 18 -6.757 -6.686 -12.619 1.00 0.00 C ATOM 239 OG SER A 18 -6.629 -6.637 -14.038 1.00 0.00 O ATOM 0 H SER A 18 -8.939 -7.832 -13.010 1.00 0.00 H new ATOM 0 HA SER A 18 -6.423 -8.794 -12.667 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.553 -6.011 -12.303 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.835 -6.330 -12.159 1.00 0.00 H new ATOM 0 HG SER A 18 -6.437 -5.718 -14.318 1.00 0.00 H new ATOM 245 N LYS A 19 -7.631 -7.614 -9.829 1.00 0.00 N ATOM 246 CA LYS A 19 -7.469 -7.638 -8.385 1.00 0.00 C ATOM 247 C LYS A 19 -7.348 -9.089 -7.914 1.00 0.00 C ATOM 248 O LYS A 19 -6.491 -9.409 -7.093 1.00 0.00 O ATOM 249 CB LYS A 19 -8.599 -6.862 -7.705 1.00 0.00 C ATOM 250 CG LYS A 19 -8.110 -5.498 -7.215 1.00 0.00 C ATOM 251 CD LYS A 19 -7.619 -5.578 -5.769 1.00 0.00 C ATOM 252 CE LYS A 19 -7.625 -4.197 -5.110 1.00 0.00 C ATOM 253 NZ LYS A 19 -8.385 -4.232 -3.841 1.00 0.00 N ATOM 0 H LYS A 19 -8.455 -7.110 -10.157 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.548 -7.131 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.424 -6.727 -8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.985 -7.438 -6.864 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.303 -5.145 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.918 -4.770 -7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.255 -6.258 -5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.611 -5.991 -5.746 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.602 -3.874 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.069 -3.467 -5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.379 -3.287 -3.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.366 -4.519 -4.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.945 -4.914 -3.191 1.00 0.00 H new ATOM 267 N LEU A 20 -8.221 -9.927 -8.455 1.00 0.00 N ATOM 268 CA LEU A 20 -8.223 -11.336 -8.100 1.00 0.00 C ATOM 269 C LEU A 20 -6.879 -11.957 -8.486 1.00 0.00 C ATOM 270 O LEU A 20 -6.423 -12.905 -7.849 1.00 0.00 O ATOM 271 CB LEU A 20 -9.428 -12.043 -8.723 1.00 0.00 C ATOM 272 CG LEU A 20 -10.725 -11.998 -7.912 1.00 0.00 C ATOM 273 CD1 LEU A 20 -11.486 -10.695 -8.168 1.00 0.00 C ATOM 274 CD2 LEU A 20 -11.589 -13.230 -8.189 1.00 0.00 C ATOM 0 H LEU A 20 -8.931 -9.657 -9.136 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.333 -11.457 -7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.619 -11.600 -9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.164 -13.087 -8.892 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.467 -12.018 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.404 -10.688 -7.580 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.864 -9.848 -7.880 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.733 -10.620 -9.227 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.504 -13.172 -7.600 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -11.841 -13.267 -9.249 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.038 -14.130 -7.916 1.00 0.00 H new ATOM 286 N ILE A 21 -6.282 -11.397 -9.528 1.00 0.00 N ATOM 287 CA ILE A 21 -4.999 -11.884 -10.007 1.00 0.00 C ATOM 288 C ILE A 21 -3.880 -11.275 -9.160 1.00 0.00 C ATOM 289 O ILE A 21 -2.771 -11.806 -9.117 1.00 0.00 O ATOM 290 CB ILE A 21 -4.851 -11.617 -11.506 1.00 0.00 C ATOM 291 CG1 ILE A 21 -4.503 -12.903 -12.260 1.00 0.00 C ATOM 292 CG2 ILE A 21 -3.832 -10.506 -11.767 1.00 0.00 C ATOM 293 CD1 ILE A 21 -5.718 -13.439 -13.020 1.00 0.00 C ATOM 0 H ILE A 21 -6.663 -10.611 -10.054 1.00 0.00 H new ATOM 0 HA ILE A 21 -4.934 -12.966 -9.892 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.811 -11.269 -11.888 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.689 -12.710 -12.958 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.148 -13.656 -11.557 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.746 -10.336 -12.840 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.161 -9.588 -11.280 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.862 -10.801 -11.367 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.443 -14.353 -13.547 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.522 -13.654 -12.316 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.055 -12.693 -13.739 1.00 0.00 H new ATOM 305 N ARG A 22 -4.208 -10.170 -8.508 1.00 0.00 N ATOM 306 CA ARG A 22 -3.244 -9.483 -7.666 1.00 0.00 C ATOM 307 C ARG A 22 -1.927 -9.286 -8.418 1.00 0.00 C ATOM 308 O ARG A 22 -1.813 -9.658 -9.585 1.00 0.00 O ATOM 309 CB ARG A 22 -2.977 -10.270 -6.381 1.00 0.00 C ATOM 310 CG ARG A 22 -3.208 -9.398 -5.145 1.00 0.00 C ATOM 311 CD ARG A 22 -3.992 -10.161 -4.075 1.00 0.00 C ATOM 312 NE ARG A 22 -4.988 -9.267 -3.444 1.00 0.00 N ATOM 313 CZ ARG A 22 -4.680 -8.298 -2.555 1.00 0.00 C ATOM 314 NH1 ARG A 22 -3.398 -8.090 -2.186 1.00 0.00 N ATOM 315 NH2 ARG A 22 -5.650 -7.557 -2.054 1.00 0.00 N ATOM 0 H ARG A 22 -5.129 -9.733 -8.546 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.665 -8.512 -7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.630 -11.142 -6.342 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.952 -10.639 -6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.249 -9.076 -4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.753 -8.497 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.493 -11.019 -4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.309 -10.549 -3.319 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.969 -9.390 -3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.654 -8.667 -2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.173 -7.356 -1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.616 -7.720 -2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.434 -6.821 -1.381 1.00 0.00 H new ATOM 329 N LYS A 23 -0.965 -8.701 -7.720 1.00 0.00 N ATOM 330 CA LYS A 23 0.340 -8.449 -8.307 1.00 0.00 C ATOM 331 C LYS A 23 1.144 -9.750 -8.328 1.00 0.00 C ATOM 332 O LYS A 23 1.644 -10.192 -7.295 1.00 0.00 O ATOM 333 CB LYS A 23 1.044 -7.303 -7.579 1.00 0.00 C ATOM 334 CG LYS A 23 1.165 -6.072 -8.480 1.00 0.00 C ATOM 335 CD LYS A 23 0.980 -4.784 -7.676 1.00 0.00 C ATOM 336 CE LYS A 23 2.185 -3.855 -7.844 1.00 0.00 C ATOM 337 NZ LYS A 23 1.929 -2.862 -8.911 1.00 0.00 N ATOM 0 H LYS A 23 -1.063 -8.394 -6.752 1.00 0.00 H new ATOM 0 HA LYS A 23 0.235 -8.121 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.489 -7.045 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.036 -7.624 -7.261 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.142 -6.066 -8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.417 -6.121 -9.272 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.074 -4.274 -8.003 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.846 -5.025 -6.621 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.391 -3.343 -6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.071 -4.440 -8.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.819 -2.388 -9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.542 -3.343 -9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.245 -2.156 -8.571 1.00 0.00 H new ATOM 351 N ALA A 24 1.244 -10.328 -9.517 1.00 0.00 N ATOM 352 CA ALA A 24 1.979 -11.570 -9.686 1.00 0.00 C ATOM 353 C ALA A 24 1.320 -12.666 -8.845 1.00 0.00 C ATOM 354 O ALA A 24 0.834 -12.403 -7.747 1.00 0.00 O ATOM 355 CB ALA A 24 3.446 -11.350 -9.311 1.00 0.00 C ATOM 0 H ALA A 24 0.828 -9.959 -10.372 1.00 0.00 H new ATOM 0 HA ALA A 24 1.953 -11.893 -10.727 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.998 -12.282 -9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.875 -10.583 -9.956 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.512 -11.028 -8.272 1.00 0.00 H new ATOM 361 N LYS A 25 1.326 -13.872 -9.394 1.00 0.00 N ATOM 362 CA LYS A 25 0.735 -15.009 -8.709 1.00 0.00 C ATOM 363 C LYS A 25 1.123 -14.965 -7.229 1.00 0.00 C ATOM 364 O LYS A 25 0.285 -14.690 -6.372 1.00 0.00 O ATOM 365 CB LYS A 25 1.120 -16.314 -9.407 1.00 0.00 C ATOM 366 CG LYS A 25 -0.108 -16.992 -10.017 1.00 0.00 C ATOM 367 CD LYS A 25 -0.566 -16.262 -11.282 1.00 0.00 C ATOM 368 CE LYS A 25 -2.083 -16.357 -11.451 1.00 0.00 C ATOM 369 NZ LYS A 25 -2.449 -16.312 -12.884 1.00 0.00 N ATOM 0 H LYS A 25 1.731 -14.086 -10.305 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.353 -14.959 -8.756 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.853 -16.111 -10.188 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.594 -16.987 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.126 -18.029 -10.256 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.919 -17.008 -9.288 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.267 -15.215 -11.230 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.072 -16.692 -12.153 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.447 -17.283 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.566 -15.536 -10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.482 -16.378 -12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.119 -15.417 -13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.004 -17.109 -13.381 1.00 0.00 H new ATOM 383 N GLU A 26 2.394 -15.239 -6.976 1.00 0.00 N ATOM 384 CA GLU A 26 2.904 -15.235 -5.615 1.00 0.00 C ATOM 385 C GLU A 26 4.256 -14.521 -5.557 1.00 0.00 C ATOM 386 O GLU A 26 5.295 -15.164 -5.412 1.00 0.00 O ATOM 387 CB GLU A 26 3.011 -16.658 -5.064 1.00 0.00 C ATOM 388 CG GLU A 26 2.405 -16.751 -3.663 1.00 0.00 C ATOM 389 CD GLU A 26 2.469 -18.184 -3.131 1.00 0.00 C ATOM 390 OE1 GLU A 26 2.440 -19.140 -3.921 1.00 0.00 O ATOM 391 OE2 GLU A 26 2.553 -18.287 -1.848 1.00 0.00 O ATOM 0 H GLU A 26 3.086 -15.465 -7.690 1.00 0.00 H new ATOM 0 HA GLU A 26 2.200 -14.690 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.498 -17.350 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.057 -16.962 -5.032 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.940 -16.084 -2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.368 -16.415 -3.688 1.00 0.00 H new ATOM 398 N ALA A 27 4.199 -13.203 -5.672 1.00 0.00 N ATOM 399 CA ALA A 27 5.406 -12.395 -5.635 1.00 0.00 C ATOM 400 C ALA A 27 5.640 -11.900 -4.206 1.00 0.00 C ATOM 401 O ALA A 27 4.700 -11.798 -3.419 1.00 0.00 O ATOM 402 CB ALA A 27 5.284 -11.246 -6.637 1.00 0.00 C ATOM 0 H ALA A 27 3.335 -12.674 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 27 6.273 -12.989 -5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.190 -10.641 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.150 -11.651 -7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.425 -10.627 -6.378 1.00 0.00 H new ATOM 408 N PRO A 28 6.931 -11.598 -3.906 1.00 0.00 N ATOM 409 CA PRO A 28 7.300 -11.116 -2.586 1.00 0.00 C ATOM 410 C PRO A 28 6.878 -9.657 -2.397 1.00 0.00 C ATOM 411 O PRO A 28 6.036 -9.150 -3.136 1.00 0.00 O ATOM 412 CB PRO A 28 8.804 -11.315 -2.500 1.00 0.00 C ATOM 413 CG PRO A 28 9.287 -11.466 -3.933 1.00 0.00 C ATOM 414 CD PRO A 28 8.071 -11.707 -4.812 1.00 0.00 C ATOM 0 HA PRO A 28 6.794 -11.655 -1.785 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.283 -10.465 -2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.048 -12.199 -1.910 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.818 -10.569 -4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.987 -12.297 -4.014 1.00 0.00 H new ATOM 0 HD2 PRO A 28 8.011 -10.972 -5.615 1.00 0.00 H new ATOM 0 HD3 PRO A 28 8.111 -12.690 -5.282 1.00 0.00 H new ATOM 422 N PHE A 29 7.484 -9.024 -1.403 1.00 0.00 N ATOM 423 CA PHE A 29 7.182 -7.633 -1.108 1.00 0.00 C ATOM 424 C PHE A 29 8.107 -6.694 -1.885 1.00 0.00 C ATOM 425 O PHE A 29 7.895 -5.483 -1.903 1.00 0.00 O ATOM 426 CB PHE A 29 7.414 -7.434 0.391 1.00 0.00 C ATOM 427 CG PHE A 29 8.874 -7.172 0.765 1.00 0.00 C ATOM 428 CD1 PHE A 29 9.351 -5.899 0.796 1.00 0.00 C ATOM 429 CD2 PHE A 29 9.695 -8.214 1.068 1.00 0.00 C ATOM 430 CE1 PHE A 29 10.706 -5.657 1.143 1.00 0.00 C ATOM 431 CE2 PHE A 29 11.050 -7.971 1.416 1.00 0.00 C ATOM 432 CZ PHE A 29 11.527 -6.698 1.446 1.00 0.00 C ATOM 0 H PHE A 29 8.182 -9.448 -0.792 1.00 0.00 H new ATOM 0 HA PHE A 29 6.155 -7.406 -1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.806 -6.597 0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.067 -8.320 0.923 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.699 -5.072 0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 29 9.316 -9.225 1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 29 11.085 -4.646 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.702 -8.798 1.657 1.00 0.00 H new ATOM 0 HZ PHE A 29 12.558 -6.514 1.710 1.00 0.00 H new ATOM 442 N VAL A 30 9.114 -7.289 -2.507 1.00 0.00 N ATOM 443 CA VAL A 30 10.073 -6.521 -3.283 1.00 0.00 C ATOM 444 C VAL A 30 9.322 -5.553 -4.200 1.00 0.00 C ATOM 445 O VAL A 30 9.603 -4.356 -4.208 1.00 0.00 O ATOM 446 CB VAL A 30 11.005 -7.465 -4.046 1.00 0.00 C ATOM 447 CG1 VAL A 30 11.219 -6.982 -5.482 1.00 0.00 C ATOM 448 CG2 VAL A 30 12.340 -7.626 -3.316 1.00 0.00 C ATOM 0 H VAL A 30 9.287 -8.294 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 30 10.704 -5.923 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 30 10.528 -8.444 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 30 11.885 -7.671 -6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.261 -6.944 -6.000 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.664 -5.987 -5.469 1.00 0.00 H new ATOM 0 HG21 VAL A 30 12.984 -8.302 -3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 30 12.825 -6.654 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.164 -8.037 -2.322 1.00 0.00 H new ATOM 458 N PRO A 31 8.356 -6.123 -4.969 1.00 0.00 N ATOM 459 CA PRO A 31 7.562 -5.323 -5.887 1.00 0.00 C ATOM 460 C PRO A 31 6.521 -4.494 -5.133 1.00 0.00 C ATOM 461 O PRO A 31 6.007 -3.509 -5.659 1.00 0.00 O ATOM 462 CB PRO A 31 6.941 -6.326 -6.846 1.00 0.00 C ATOM 463 CG PRO A 31 7.033 -7.676 -6.154 1.00 0.00 C ATOM 464 CD PRO A 31 7.995 -7.537 -4.986 1.00 0.00 C ATOM 0 HA PRO A 31 8.158 -4.589 -6.429 1.00 0.00 H new ATOM 0 HB2 PRO A 31 5.904 -6.068 -7.063 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.473 -6.338 -7.797 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.051 -7.993 -5.804 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.385 -8.438 -6.849 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.526 -7.837 -4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.873 -8.168 -5.119 1.00 0.00 H new ATOM 472 N VAL A 32 6.241 -4.924 -3.911 1.00 0.00 N ATOM 473 CA VAL A 32 5.271 -4.234 -3.079 1.00 0.00 C ATOM 474 C VAL A 32 5.856 -2.895 -2.624 1.00 0.00 C ATOM 475 O VAL A 32 5.162 -1.880 -2.618 1.00 0.00 O ATOM 476 CB VAL A 32 4.850 -5.130 -1.912 1.00 0.00 C ATOM 477 CG1 VAL A 32 4.022 -4.347 -0.891 1.00 0.00 C ATOM 478 CG2 VAL A 32 4.087 -6.358 -2.412 1.00 0.00 C ATOM 0 H VAL A 32 6.669 -5.742 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 32 4.366 -4.017 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 32 5.754 -5.478 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.736 -5.007 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.614 -3.519 -0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.126 -3.956 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.799 -6.978 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.193 -6.038 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.724 -6.934 -3.083 1.00 0.00 H new ATOM 488 N GLY A 33 7.127 -2.937 -2.253 1.00 0.00 N ATOM 489 CA GLY A 33 7.814 -1.740 -1.797 1.00 0.00 C ATOM 490 C GLY A 33 8.190 -0.841 -2.977 1.00 0.00 C ATOM 491 O GLY A 33 7.980 0.370 -2.931 1.00 0.00 O ATOM 0 H GLY A 33 7.699 -3.781 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.175 -1.191 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.713 -2.019 -1.247 1.00 0.00 H new ATOM 495 N ILE A 34 8.740 -1.469 -4.006 1.00 0.00 N ATOM 496 CA ILE A 34 9.148 -0.742 -5.196 1.00 0.00 C ATOM 497 C ILE A 34 7.925 -0.069 -5.821 1.00 0.00 C ATOM 498 O ILE A 34 7.859 1.157 -5.901 1.00 0.00 O ATOM 499 CB ILE A 34 9.901 -1.665 -6.156 1.00 0.00 C ATOM 500 CG1 ILE A 34 11.231 -2.119 -5.551 1.00 0.00 C ATOM 501 CG2 ILE A 34 10.090 -0.999 -7.521 1.00 0.00 C ATOM 502 CD1 ILE A 34 12.075 -0.919 -5.119 1.00 0.00 C ATOM 0 H ILE A 34 8.913 -2.474 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 34 9.850 0.050 -4.937 1.00 0.00 H new ATOM 0 HB ILE A 34 9.298 -2.559 -6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.043 -2.764 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.783 -2.712 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.628 -1.676 -8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.115 -0.767 -7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.661 -0.079 -7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 34 13.015 -1.270 -4.692 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.282 -0.289 -5.984 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.531 -0.341 -4.372 1.00 0.00 H new ATOM 514 N ALA A 35 6.986 -0.900 -6.249 1.00 0.00 N ATOM 515 CA ALA A 35 5.769 -0.401 -6.865 1.00 0.00 C ATOM 516 C ALA A 35 5.014 0.472 -5.860 1.00 0.00 C ATOM 517 O ALA A 35 4.601 1.584 -6.185 1.00 0.00 O ATOM 518 CB ALA A 35 4.927 -1.578 -7.361 1.00 0.00 C ATOM 0 H ALA A 35 7.044 -1.916 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 35 6.004 0.219 -7.730 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.014 -1.203 -7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.496 -2.149 -8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.670 -2.222 -6.520 1.00 0.00 H new ATOM 524 N GLY A 36 4.859 -0.065 -4.659 1.00 0.00 N ATOM 525 CA GLY A 36 4.161 0.651 -3.604 1.00 0.00 C ATOM 526 C GLY A 36 4.658 2.095 -3.500 1.00 0.00 C ATOM 527 O GLY A 36 3.865 3.033 -3.550 1.00 0.00 O ATOM 0 H GLY A 36 5.204 -0.987 -4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.089 0.645 -3.803 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.312 0.141 -2.652 1.00 0.00 H new ATOM 531 N PHE A 37 5.969 2.227 -3.356 1.00 0.00 N ATOM 532 CA PHE A 37 6.581 3.540 -3.244 1.00 0.00 C ATOM 533 C PHE A 37 6.285 4.390 -4.481 1.00 0.00 C ATOM 534 O PHE A 37 5.946 5.566 -4.364 1.00 0.00 O ATOM 535 CB PHE A 37 8.092 3.321 -3.140 1.00 0.00 C ATOM 536 CG PHE A 37 8.866 4.550 -2.659 1.00 0.00 C ATOM 537 CD1 PHE A 37 8.852 5.694 -3.395 1.00 0.00 C ATOM 538 CD2 PHE A 37 9.569 4.499 -1.496 1.00 0.00 C ATOM 539 CE1 PHE A 37 9.571 6.834 -2.949 1.00 0.00 C ATOM 540 CE2 PHE A 37 10.287 5.640 -1.049 1.00 0.00 C ATOM 541 CZ PHE A 37 10.273 6.783 -1.785 1.00 0.00 C ATOM 0 H PHE A 37 6.624 1.446 -3.314 1.00 0.00 H new ATOM 0 HA PHE A 37 6.184 4.063 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.283 2.493 -2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.474 3.023 -4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.294 5.735 -4.319 1.00 0.00 H new ATOM 0 HD2 PHE A 37 9.581 3.591 -0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 37 9.561 7.742 -3.534 1.00 0.00 H new ATOM 0 HE2 PHE A 37 10.844 5.600 -0.125 1.00 0.00 H new ATOM 0 HZ PHE A 37 10.819 7.651 -1.445 1.00 0.00 H new ATOM 551 N ALA A 38 6.423 3.761 -5.639 1.00 0.00 N ATOM 552 CA ALA A 38 6.174 4.444 -6.897 1.00 0.00 C ATOM 553 C ALA A 38 4.768 5.046 -6.876 1.00 0.00 C ATOM 554 O ALA A 38 4.605 6.258 -7.012 1.00 0.00 O ATOM 555 CB ALA A 38 6.373 3.467 -8.057 1.00 0.00 C ATOM 0 H ALA A 38 6.704 2.785 -5.732 1.00 0.00 H new ATOM 0 HA ALA A 38 6.881 5.262 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.186 3.980 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.396 3.091 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.679 2.633 -7.953 1.00 0.00 H new ATOM 561 N ALA A 39 3.787 4.172 -6.704 1.00 0.00 N ATOM 562 CA ALA A 39 2.400 4.603 -6.663 1.00 0.00 C ATOM 563 C ALA A 39 2.243 5.707 -5.615 1.00 0.00 C ATOM 564 O ALA A 39 1.794 6.807 -5.931 1.00 0.00 O ATOM 565 CB ALA A 39 1.500 3.398 -6.380 1.00 0.00 C ATOM 0 H ALA A 39 3.925 3.168 -6.591 1.00 0.00 H new ATOM 0 HA ALA A 39 2.098 5.017 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.459 3.720 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.627 2.656 -7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.772 2.958 -5.421 1.00 0.00 H new ATOM 571 N ILE A 40 2.622 5.374 -4.390 1.00 0.00 N ATOM 572 CA ILE A 40 2.530 6.323 -3.294 1.00 0.00 C ATOM 573 C ILE A 40 2.942 7.710 -3.791 1.00 0.00 C ATOM 574 O ILE A 40 2.204 8.679 -3.620 1.00 0.00 O ATOM 575 CB ILE A 40 3.340 5.834 -2.092 1.00 0.00 C ATOM 576 CG1 ILE A 40 2.668 4.629 -1.432 1.00 0.00 C ATOM 577 CG2 ILE A 40 3.584 6.971 -1.097 1.00 0.00 C ATOM 578 CD1 ILE A 40 1.464 5.063 -0.593 1.00 0.00 C ATOM 0 H ILE A 40 2.994 4.460 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 40 1.501 6.402 -2.944 1.00 0.00 H new ATOM 0 HB ILE A 40 4.315 5.503 -2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.346 3.923 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.387 4.108 -0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.162 6.597 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.136 7.772 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.628 7.355 -0.741 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.005 4.187 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.793 5.750 0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.736 5.562 -1.232 1.00 0.00 H new ATOM 590 N VAL A 41 4.120 7.761 -4.396 1.00 0.00 N ATOM 591 CA VAL A 41 4.639 9.014 -4.919 1.00 0.00 C ATOM 592 C VAL A 41 3.599 9.644 -5.848 1.00 0.00 C ATOM 593 O VAL A 41 3.233 10.805 -5.678 1.00 0.00 O ATOM 594 CB VAL A 41 5.987 8.777 -5.603 1.00 0.00 C ATOM 595 CG1 VAL A 41 6.389 9.982 -6.455 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.071 8.444 -4.576 1.00 0.00 C ATOM 0 H VAL A 41 4.730 6.955 -4.536 1.00 0.00 H new ATOM 0 HA VAL A 41 4.821 9.720 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 41 5.880 7.919 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.351 9.787 -6.930 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.634 10.154 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.470 10.865 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.019 8.280 -5.088 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.175 9.273 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.792 7.542 -4.032 1.00 0.00 H new ATOM 606 N ALA A 42 3.154 8.849 -6.810 1.00 0.00 N ATOM 607 CA ALA A 42 2.164 9.315 -7.767 1.00 0.00 C ATOM 608 C ALA A 42 0.981 9.926 -7.013 1.00 0.00 C ATOM 609 O ALA A 42 0.670 11.103 -7.190 1.00 0.00 O ATOM 610 CB ALA A 42 1.742 8.154 -8.670 1.00 0.00 C ATOM 0 H ALA A 42 3.460 7.886 -6.948 1.00 0.00 H new ATOM 0 HA ALA A 42 2.584 10.091 -8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.000 8.503 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.613 7.773 -9.204 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.313 7.358 -8.062 1.00 0.00 H new ATOM 616 N TYR A 43 0.355 9.100 -6.188 1.00 0.00 N ATOM 617 CA TYR A 43 -0.787 9.545 -5.407 1.00 0.00 C ATOM 618 C TYR A 43 -0.502 10.891 -4.738 1.00 0.00 C ATOM 619 O TYR A 43 -1.205 11.870 -4.981 1.00 0.00 O ATOM 620 CB TYR A 43 -0.996 8.485 -4.324 1.00 0.00 C ATOM 621 CG TYR A 43 -2.450 8.334 -3.873 1.00 0.00 C ATOM 622 CD1 TYR A 43 -3.128 9.420 -3.358 1.00 0.00 C ATOM 623 CD2 TYR A 43 -3.083 7.113 -3.981 1.00 0.00 C ATOM 624 CE1 TYR A 43 -4.497 9.278 -2.933 1.00 0.00 C ATOM 625 CE2 TYR A 43 -4.452 6.971 -3.557 1.00 0.00 C ATOM 626 CZ TYR A 43 -5.091 8.061 -3.053 1.00 0.00 C ATOM 627 OH TYR A 43 -6.384 7.927 -2.652 1.00 0.00 O ATOM 0 H TYR A 43 0.617 8.125 -6.043 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.663 9.670 -6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.640 7.524 -4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.383 8.738 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.632 10.376 -3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.552 6.263 -4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.039 10.120 -2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.960 6.021 -3.637 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.678 7.003 -2.797 1.00 0.00 H new ATOM 637 N GLY A 44 0.531 10.897 -3.908 1.00 0.00 N ATOM 638 CA GLY A 44 0.918 12.106 -3.202 1.00 0.00 C ATOM 639 C GLY A 44 0.953 13.307 -4.150 1.00 0.00 C ATOM 640 O GLY A 44 0.278 14.308 -3.915 1.00 0.00 O ATOM 0 H GLY A 44 1.112 10.083 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.216 12.299 -2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.899 11.968 -2.748 1.00 0.00 H new ATOM 644 N LEU A 45 1.746 13.167 -5.202 1.00 0.00 N ATOM 645 CA LEU A 45 1.878 14.227 -6.187 1.00 0.00 C ATOM 646 C LEU A 45 0.486 14.688 -6.623 1.00 0.00 C ATOM 647 O LEU A 45 0.227 15.887 -6.718 1.00 0.00 O ATOM 648 CB LEU A 45 2.767 13.774 -7.346 1.00 0.00 C ATOM 649 CG LEU A 45 3.817 14.782 -7.820 1.00 0.00 C ATOM 650 CD1 LEU A 45 5.078 14.707 -6.957 1.00 0.00 C ATOM 651 CD2 LEU A 45 4.127 14.592 -9.306 1.00 0.00 C ATOM 0 H LEU A 45 2.304 12.335 -5.394 1.00 0.00 H new ATOM 0 HA LEU A 45 2.379 15.092 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.279 12.859 -7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.127 13.521 -8.191 1.00 0.00 H new ATOM 0 HG LEU A 45 3.406 15.785 -7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.808 15.433 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.823 14.929 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.503 13.705 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.876 15.320 -9.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.509 13.585 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.217 14.735 -9.889 1.00 0.00 H new ATOM 663 N TYR A 46 -0.373 13.712 -6.876 1.00 0.00 N ATOM 664 CA TYR A 46 -1.732 14.003 -7.300 1.00 0.00 C ATOM 665 C TYR A 46 -2.533 14.650 -6.168 1.00 0.00 C ATOM 666 O TYR A 46 -3.219 15.648 -6.380 1.00 0.00 O ATOM 667 CB TYR A 46 -2.363 12.653 -7.648 1.00 0.00 C ATOM 668 CG TYR A 46 -3.372 12.716 -8.797 1.00 0.00 C ATOM 669 CD1 TYR A 46 -2.963 13.109 -10.055 1.00 0.00 C ATOM 670 CD2 TYR A 46 -4.692 12.379 -8.575 1.00 0.00 C ATOM 671 CE1 TYR A 46 -3.912 13.168 -11.135 1.00 0.00 C ATOM 672 CE2 TYR A 46 -5.642 12.437 -9.656 1.00 0.00 C ATOM 673 CZ TYR A 46 -5.205 12.829 -10.883 1.00 0.00 C ATOM 674 OH TYR A 46 -6.102 12.885 -11.903 1.00 0.00 O ATOM 0 H TYR A 46 -0.155 12.719 -6.796 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.731 14.694 -8.143 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -1.572 11.951 -7.911 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.860 12.257 -6.763 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.930 13.372 -10.229 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.013 12.072 -7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.604 13.475 -12.124 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.678 12.175 -9.496 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.986 12.615 -11.577 1.00 0.00 H new ATOM 684 N LYS A 47 -2.419 14.054 -4.990 1.00 0.00 N ATOM 685 CA LYS A 47 -3.124 14.560 -3.825 1.00 0.00 C ATOM 686 C LYS A 47 -2.841 16.056 -3.672 1.00 0.00 C ATOM 687 O LYS A 47 -3.757 16.845 -3.449 1.00 0.00 O ATOM 688 CB LYS A 47 -2.769 13.737 -2.585 1.00 0.00 C ATOM 689 CG LYS A 47 -3.924 12.815 -2.189 1.00 0.00 C ATOM 690 CD LYS A 47 -3.615 12.079 -0.883 1.00 0.00 C ATOM 691 CE LYS A 47 -4.813 12.122 0.067 1.00 0.00 C ATOM 692 NZ LYS A 47 -5.411 10.775 0.210 1.00 0.00 N ATOM 0 H LYS A 47 -1.849 13.226 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.201 14.451 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.876 13.143 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.532 14.405 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.837 13.399 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.106 12.092 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.354 11.043 -1.098 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.748 12.533 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.498 12.492 1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.560 12.820 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.445 10.860 0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.165 10.196 -0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.043 10.321 1.071 1.00 0.00 H new ATOM 706 N LEU A 48 -1.568 16.400 -3.798 1.00 0.00 N ATOM 707 CA LEU A 48 -1.152 17.787 -3.676 1.00 0.00 C ATOM 708 C LEU A 48 -2.135 18.678 -4.438 1.00 0.00 C ATOM 709 O LEU A 48 -2.776 19.547 -3.849 1.00 0.00 O ATOM 710 CB LEU A 48 0.302 17.952 -4.124 1.00 0.00 C ATOM 711 CG LEU A 48 0.910 19.343 -3.930 1.00 0.00 C ATOM 712 CD1 LEU A 48 1.549 19.472 -2.546 1.00 0.00 C ATOM 713 CD2 LEU A 48 1.898 19.671 -5.051 1.00 0.00 C ATOM 0 H LEU A 48 -0.811 15.742 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.177 18.102 -2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.913 17.231 -3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.367 17.693 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 48 0.107 20.078 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.974 20.469 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.791 19.311 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.338 18.727 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.315 20.665 -4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.703 18.936 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.381 19.647 -6.010 1.00 0.00 H new ATOM 725 N LYS A 49 -2.224 18.431 -5.737 1.00 0.00 N ATOM 726 CA LYS A 49 -3.118 19.200 -6.586 1.00 0.00 C ATOM 727 C LYS A 49 -4.558 19.011 -6.105 1.00 0.00 C ATOM 728 O LYS A 49 -4.997 17.885 -5.876 1.00 0.00 O ATOM 729 CB LYS A 49 -2.907 18.835 -8.056 1.00 0.00 C ATOM 730 CG LYS A 49 -2.215 19.972 -8.810 1.00 0.00 C ATOM 731 CD LYS A 49 -1.586 19.466 -10.110 1.00 0.00 C ATOM 732 CE LYS A 49 -0.794 20.575 -10.804 1.00 0.00 C ATOM 733 NZ LYS A 49 0.660 20.344 -10.657 1.00 0.00 N ATOM 0 H LYS A 49 -1.691 17.709 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.894 20.264 -6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.306 17.928 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.868 18.617 -8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.937 20.757 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.446 20.416 -8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.928 18.624 -9.896 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.366 19.099 -10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.057 20.611 -11.861 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.060 21.542 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.183 21.106 -11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.909 20.332 -9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.912 19.431 -11.086 1.00 0.00 H new ATOM 747 N SER A 50 -5.254 20.130 -5.967 1.00 0.00 N ATOM 748 CA SER A 50 -6.636 20.101 -5.518 1.00 0.00 C ATOM 749 C SER A 50 -7.578 20.215 -6.717 1.00 0.00 C ATOM 750 O SER A 50 -7.658 21.266 -7.351 1.00 0.00 O ATOM 751 CB SER A 50 -6.913 21.225 -4.516 1.00 0.00 C ATOM 752 OG SER A 50 -6.874 22.509 -5.131 1.00 0.00 O ATOM 0 H SER A 50 -4.887 21.062 -6.158 1.00 0.00 H new ATOM 0 HA SER A 50 -6.813 19.150 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.891 21.071 -4.060 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.177 21.185 -3.713 1.00 0.00 H new ATOM 0 HG SER A 50 -7.150 22.431 -6.068 1.00 0.00 H new ATOM 758 N ARG A 51 -8.269 19.119 -6.993 1.00 0.00 N ATOM 759 CA ARG A 51 -9.203 19.083 -8.105 1.00 0.00 C ATOM 760 C ARG A 51 -9.952 17.749 -8.126 1.00 0.00 C ATOM 761 O ARG A 51 -9.571 16.830 -8.851 1.00 0.00 O ATOM 762 CB ARG A 51 -8.478 19.274 -9.439 1.00 0.00 C ATOM 763 CG ARG A 51 -9.411 19.885 -10.487 1.00 0.00 C ATOM 764 CD ARG A 51 -9.195 21.395 -10.599 1.00 0.00 C ATOM 765 NE ARG A 51 -9.723 22.073 -9.394 1.00 0.00 N ATOM 766 CZ ARG A 51 -11.032 22.318 -9.176 1.00 0.00 C ATOM 767 NH1 ARG A 51 -11.960 21.942 -10.082 1.00 0.00 N ATOM 768 NH2 ARG A 51 -11.392 22.931 -8.063 1.00 0.00 N ATOM 0 H ARG A 51 -8.201 18.249 -6.465 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.912 19.900 -7.969 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.612 19.920 -9.297 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.105 18.314 -9.795 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.234 19.416 -11.455 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.448 19.681 -10.219 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.133 21.611 -10.712 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.694 21.777 -11.489 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.056 22.374 -8.684 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.674 21.469 -10.939 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.947 22.131 -9.909 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.685 23.212 -7.384 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.377 23.124 -7.883 1.00 0.00 H new ATOM 782 N GLY A 52 -11.004 17.684 -7.323 1.00 0.00 N ATOM 783 CA GLY A 52 -11.810 16.478 -7.241 1.00 0.00 C ATOM 784 C GLY A 52 -12.614 16.444 -5.940 1.00 0.00 C ATOM 785 O GLY A 52 -13.093 17.478 -5.474 1.00 0.00 O ATOM 0 H GLY A 52 -11.317 18.447 -6.723 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.488 16.431 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.165 15.601 -7.297 1.00 0.00 H new ATOM 789 N ASN A 53 -12.738 15.246 -5.389 1.00 0.00 N ATOM 790 CA ASN A 53 -13.477 15.064 -4.151 1.00 0.00 C ATOM 791 C ASN A 53 -12.746 15.784 -3.016 1.00 0.00 C ATOM 792 O ASN A 53 -13.327 16.627 -2.334 1.00 0.00 O ATOM 793 CB ASN A 53 -13.578 13.582 -3.783 1.00 0.00 C ATOM 794 CG ASN A 53 -15.006 13.216 -3.371 1.00 0.00 C ATOM 795 OD1 ASN A 53 -15.953 13.357 -4.127 1.00 0.00 O ATOM 796 ND2 ASN A 53 -15.106 12.740 -2.133 1.00 0.00 N ATOM 0 H ASN A 53 -12.339 14.391 -5.777 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.479 15.470 -4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.273 12.971 -4.632 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.891 13.359 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.017 12.467 -1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.272 12.648 -1.553 1.00 0.00 H new ATOM 803 N THR A 54 -11.481 15.424 -2.847 1.00 0.00 N ATOM 804 CA THR A 54 -10.665 16.026 -1.806 1.00 0.00 C ATOM 805 C THR A 54 -11.289 15.781 -0.431 1.00 0.00 C ATOM 806 O THR A 54 -12.342 16.335 -0.116 1.00 0.00 O ATOM 807 CB THR A 54 -10.491 17.509 -2.140 1.00 0.00 C ATOM 808 OG1 THR A 54 -9.522 17.518 -3.185 1.00 0.00 O ATOM 809 CG2 THR A 54 -9.822 18.289 -1.006 1.00 0.00 C ATOM 0 H THR A 54 -11.002 14.724 -3.413 1.00 0.00 H new ATOM 0 HA THR A 54 -9.676 15.570 -1.765 1.00 0.00 H new ATOM 0 HB THR A 54 -11.464 17.949 -2.359 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.350 18.442 -3.464 1.00 0.00 H new ATOM 0 HG21 THR A 54 -9.722 19.336 -1.294 1.00 0.00 H new ATOM 0 HG22 THR A 54 -10.432 18.217 -0.106 1.00 0.00 H new ATOM 0 HG23 THR A 54 -8.835 17.871 -0.810 1.00 0.00 H new ATOM 817 N LYS A 55 -10.614 14.952 0.351 1.00 0.00 N ATOM 818 CA LYS A 55 -11.089 14.628 1.685 1.00 0.00 C ATOM 819 C LYS A 55 -9.981 14.914 2.701 1.00 0.00 C ATOM 820 O LYS A 55 -10.144 15.755 3.584 1.00 0.00 O ATOM 821 CB LYS A 55 -11.611 13.191 1.734 1.00 0.00 C ATOM 822 CG LYS A 55 -13.091 13.158 2.122 1.00 0.00 C ATOM 823 CD LYS A 55 -13.279 13.516 3.597 1.00 0.00 C ATOM 824 CE LYS A 55 -14.764 13.609 3.954 1.00 0.00 C ATOM 825 NZ LYS A 55 -15.060 14.901 4.612 1.00 0.00 N ATOM 0 H LYS A 55 -9.742 14.495 0.086 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.936 15.260 1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.476 12.718 0.761 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.030 12.614 2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.649 13.858 1.500 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.499 12.166 1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.798 12.764 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.790 14.467 3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.368 13.507 3.052 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.037 12.787 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.072 14.947 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.498 14.984 5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.818 15.682 3.969 1.00 0.00 H new ATOM 839 N MET A 56 -8.877 14.199 2.541 1.00 0.00 N ATOM 840 CA MET A 56 -7.742 14.365 3.433 1.00 0.00 C ATOM 841 C MET A 56 -7.033 15.697 3.175 1.00 0.00 C ATOM 842 O MET A 56 -7.041 16.201 2.053 1.00 0.00 O ATOM 843 CB MET A 56 -6.756 13.214 3.225 1.00 0.00 C ATOM 844 CG MET A 56 -6.646 12.353 4.485 1.00 0.00 C ATOM 845 SD MET A 56 -6.237 10.673 4.043 1.00 0.00 S ATOM 846 CE MET A 56 -5.409 10.152 5.536 1.00 0.00 C ATOM 0 H MET A 56 -8.744 13.503 1.807 1.00 0.00 H new ATOM 0 HA MET A 56 -8.107 14.361 4.460 1.00 0.00 H new ATOM 0 HB2 MET A 56 -7.082 12.598 2.387 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.775 13.613 2.966 1.00 0.00 H new ATOM 0 HG2 MET A 56 -5.882 12.760 5.148 1.00 0.00 H new ATOM 0 HG3 MET A 56 -7.588 12.374 5.033 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.085 9.117 5.430 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.541 10.787 5.711 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.094 10.233 6.380 1.00 0.00 H new ATOM 856 N SER A 57 -6.437 16.227 4.232 1.00 0.00 N ATOM 857 CA SER A 57 -5.725 17.490 4.135 1.00 0.00 C ATOM 858 C SER A 57 -4.395 17.401 4.887 1.00 0.00 C ATOM 859 O SER A 57 -3.339 17.680 4.322 1.00 0.00 O ATOM 860 CB SER A 57 -6.568 18.642 4.685 1.00 0.00 C ATOM 861 OG SER A 57 -7.108 18.343 5.969 1.00 0.00 O ATOM 0 H SER A 57 -6.432 15.805 5.161 1.00 0.00 H new ATOM 0 HA SER A 57 -5.528 17.690 3.082 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.955 19.541 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.381 18.860 3.992 1.00 0.00 H new ATOM 0 HG SER A 57 -7.638 19.104 6.286 1.00 0.00 H new ATOM 867 N ILE A 58 -4.491 17.010 6.149 1.00 0.00 N ATOM 868 CA ILE A 58 -3.309 16.881 6.984 1.00 0.00 C ATOM 869 C ILE A 58 -2.634 18.247 7.122 1.00 0.00 C ATOM 870 O ILE A 58 -1.916 18.682 6.224 1.00 0.00 O ATOM 871 CB ILE A 58 -2.384 15.791 6.438 1.00 0.00 C ATOM 872 CG1 ILE A 58 -3.094 14.437 6.401 1.00 0.00 C ATOM 873 CG2 ILE A 58 -1.078 15.732 7.232 1.00 0.00 C ATOM 874 CD1 ILE A 58 -3.721 14.109 7.757 1.00 0.00 C ATOM 0 H ILE A 58 -5.369 16.778 6.614 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.586 16.560 7.988 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.125 16.046 5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.867 14.449 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.383 13.657 6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.439 14.949 6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.566 16.692 7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.297 15.513 8.277 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.219 13.141 7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.942 14.074 8.519 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.449 14.878 8.017 1.00 0.00 H new ATOM 886 N HIS A 59 -2.891 18.886 8.254 1.00 0.00 N ATOM 887 CA HIS A 59 -2.317 20.194 8.521 1.00 0.00 C ATOM 888 C HIS A 59 -0.874 20.034 9.001 1.00 0.00 C ATOM 889 O HIS A 59 -0.630 19.479 10.072 1.00 0.00 O ATOM 890 CB HIS A 59 -3.187 20.977 9.508 1.00 0.00 C ATOM 891 CG HIS A 59 -4.360 21.681 8.868 1.00 0.00 C ATOM 892 ND1 HIS A 59 -5.379 22.259 9.604 1.00 0.00 N ATOM 893 CD2 HIS A 59 -4.664 21.893 7.556 1.00 0.00 C ATOM 894 CE1 HIS A 59 -6.252 22.792 8.762 1.00 0.00 C ATOM 895 NE2 HIS A 59 -5.808 22.564 7.493 1.00 0.00 N ATOM 0 H HIS A 59 -3.489 18.523 8.996 1.00 0.00 H new ATOM 0 HA HIS A 59 -2.294 20.779 7.602 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.559 20.293 10.271 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -2.567 21.715 10.017 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.074 21.570 6.711 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.157 23.315 9.033 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.277 22.860 6.637 1.00 0.00 H new ATOM 903 N LEU A 60 0.046 20.529 8.186 1.00 0.00 N ATOM 904 CA LEU A 60 1.459 20.448 8.514 1.00 0.00 C ATOM 905 C LEU A 60 2.274 21.118 7.407 1.00 0.00 C ATOM 906 O LEU A 60 3.134 20.487 6.795 1.00 0.00 O ATOM 907 CB LEU A 60 1.864 18.997 8.783 1.00 0.00 C ATOM 908 CG LEU A 60 1.955 18.588 10.255 1.00 0.00 C ATOM 909 CD1 LEU A 60 1.132 17.327 10.526 1.00 0.00 C ATOM 910 CD2 LEU A 60 3.413 18.426 10.689 1.00 0.00 C ATOM 0 H LEU A 60 -0.160 20.988 7.299 1.00 0.00 H new ATOM 0 HA LEU A 60 1.668 20.990 9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.146 18.343 8.288 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.833 18.818 8.316 1.00 0.00 H new ATOM 0 HG LEU A 60 1.526 19.387 10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.214 17.058 11.579 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.087 17.515 10.280 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.508 16.508 9.912 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.450 18.135 11.739 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.890 17.656 10.082 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.939 19.371 10.556 1.00 0.00 H new ATOM 922 N ILE A 61 1.976 22.390 7.183 1.00 0.00 N ATOM 923 CA ILE A 61 2.671 23.153 6.160 1.00 0.00 C ATOM 924 C ILE A 61 2.943 22.252 4.954 1.00 0.00 C ATOM 925 O ILE A 61 4.070 22.185 4.467 1.00 0.00 O ATOM 926 CB ILE A 61 3.929 23.803 6.739 1.00 0.00 C ATOM 927 CG1 ILE A 61 4.495 24.852 5.780 1.00 0.00 C ATOM 928 CG2 ILE A 61 4.970 22.746 7.112 1.00 0.00 C ATOM 929 CD1 ILE A 61 3.953 26.245 6.108 1.00 0.00 C ATOM 0 H ILE A 61 1.263 22.911 7.693 1.00 0.00 H new ATOM 0 HA ILE A 61 2.048 23.976 5.809 1.00 0.00 H new ATOM 0 HB ILE A 61 3.654 24.322 7.657 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.583 24.857 5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.236 24.589 4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.854 23.235 7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.551 22.070 7.858 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.247 22.179 6.223 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.371 26.971 5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.866 26.242 6.021 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.235 26.515 7.126 1.00 0.00 H new ATOM 941 N HIS A 62 1.892 21.580 4.508 1.00 0.00 N ATOM 942 CA HIS A 62 2.004 20.686 3.369 1.00 0.00 C ATOM 943 C HIS A 62 2.907 19.505 3.730 1.00 0.00 C ATOM 944 O HIS A 62 2.427 18.464 4.175 1.00 0.00 O ATOM 945 CB HIS A 62 2.484 21.442 2.129 1.00 0.00 C ATOM 946 CG HIS A 62 1.450 22.372 1.538 1.00 0.00 C ATOM 947 ND1 HIS A 62 0.799 22.108 0.346 1.00 0.00 N ATOM 948 CD2 HIS A 62 0.962 23.563 1.988 1.00 0.00 C ATOM 949 CE1 HIS A 62 -0.040 23.103 0.098 1.00 0.00 C ATOM 950 NE2 HIS A 62 0.063 24.004 1.117 1.00 0.00 N ATOM 0 H HIS A 62 0.959 21.637 4.915 1.00 0.00 H new ATOM 0 HA HIS A 62 1.022 20.285 3.120 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.371 22.020 2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.785 20.720 1.370 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.257 24.063 2.899 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.691 23.186 -0.760 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.464 24.874 1.196 1.00 0.00 H new ATOM 958 N MET A 63 4.201 19.707 3.525 1.00 0.00 N ATOM 959 CA MET A 63 5.176 18.673 3.823 1.00 0.00 C ATOM 960 C MET A 63 5.033 17.491 2.862 1.00 0.00 C ATOM 961 O MET A 63 5.946 17.199 2.090 1.00 0.00 O ATOM 962 CB MET A 63 4.983 18.188 5.261 1.00 0.00 C ATOM 963 CG MET A 63 6.268 18.357 6.074 1.00 0.00 C ATOM 964 SD MET A 63 6.717 20.083 6.155 1.00 0.00 S ATOM 965 CE MET A 63 7.454 20.137 7.779 1.00 0.00 C ATOM 0 H MET A 63 4.596 20.572 3.156 1.00 0.00 H new ATOM 0 HA MET A 63 6.174 19.096 3.704 1.00 0.00 H new ATOM 0 HB2 MET A 63 4.174 18.747 5.732 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.686 17.139 5.258 1.00 0.00 H new ATOM 0 HG2 MET A 63 6.126 17.962 7.080 1.00 0.00 H new ATOM 0 HG3 MET A 63 7.075 17.784 5.617 1.00 0.00 H new ATOM 0 HE1 MET A 63 7.792 21.151 7.992 1.00 0.00 H new ATOM 0 HE2 MET A 63 6.717 19.836 8.523 1.00 0.00 H new ATOM 0 HE3 MET A 63 8.305 19.456 7.815 1.00 0.00 H new ATOM 975 N ARG A 64 3.881 16.842 2.941 1.00 0.00 N ATOM 976 CA ARG A 64 3.606 15.698 2.088 1.00 0.00 C ATOM 977 C ARG A 64 4.545 14.540 2.434 1.00 0.00 C ATOM 978 O ARG A 64 4.120 13.546 3.020 1.00 0.00 O ATOM 979 CB ARG A 64 3.776 16.059 0.611 1.00 0.00 C ATOM 980 CG ARG A 64 2.847 17.209 0.217 1.00 0.00 C ATOM 981 CD ARG A 64 3.649 18.457 -0.160 1.00 0.00 C ATOM 982 NE ARG A 64 4.224 18.299 -1.514 1.00 0.00 N ATOM 983 CZ ARG A 64 4.659 19.326 -2.276 1.00 0.00 C ATOM 984 NH1 ARG A 64 4.586 20.595 -1.821 1.00 0.00 N ATOM 985 NH2 ARG A 64 5.155 19.070 -3.472 1.00 0.00 N ATOM 0 H ARG A 64 3.127 17.086 3.583 1.00 0.00 H new ATOM 0 HA ARG A 64 2.573 15.397 2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.811 16.341 0.419 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.563 15.187 -0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.223 16.906 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.176 17.440 1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.005 19.336 -0.130 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.446 18.620 0.566 1.00 0.00 H new ATOM 0 HE ARG A 64 4.296 17.356 -1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.200 20.784 -0.896 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.917 21.365 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.205 18.108 -3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.488 19.834 -4.060 1.00 0.00 H new ATOM 999 N VAL A 65 5.804 14.708 2.057 1.00 0.00 N ATOM 1000 CA VAL A 65 6.806 13.689 2.320 1.00 0.00 C ATOM 1001 C VAL A 65 6.687 13.226 3.773 1.00 0.00 C ATOM 1002 O VAL A 65 6.716 12.028 4.051 1.00 0.00 O ATOM 1003 CB VAL A 65 8.198 14.223 1.975 1.00 0.00 C ATOM 1004 CG1 VAL A 65 8.572 15.401 2.877 1.00 0.00 C ATOM 1005 CG2 VAL A 65 9.247 13.113 2.060 1.00 0.00 C ATOM 0 H VAL A 65 6.153 15.534 1.572 1.00 0.00 H new ATOM 0 HA VAL A 65 6.640 12.818 1.686 1.00 0.00 H new ATOM 0 HB VAL A 65 8.174 14.583 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.566 15.762 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.847 16.204 2.746 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.570 15.077 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.227 13.519 1.810 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.269 12.709 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.994 12.318 1.358 1.00 0.00 H new ATOM 1015 N ALA A 66 6.555 14.200 4.663 1.00 0.00 N ATOM 1016 CA ALA A 66 6.431 13.907 6.080 1.00 0.00 C ATOM 1017 C ALA A 66 5.352 12.841 6.284 1.00 0.00 C ATOM 1018 O ALA A 66 5.630 11.765 6.811 1.00 0.00 O ATOM 1019 CB ALA A 66 6.127 15.197 6.844 1.00 0.00 C ATOM 0 H ALA A 66 6.531 15.193 4.429 1.00 0.00 H new ATOM 0 HA ALA A 66 7.367 13.509 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.034 14.977 7.907 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.937 15.910 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.193 15.625 6.479 1.00 0.00 H new ATOM 1025 N ALA A 67 4.144 13.177 5.856 1.00 0.00 N ATOM 1026 CA ALA A 67 3.023 12.262 5.984 1.00 0.00 C ATOM 1027 C ALA A 67 3.407 10.905 5.392 1.00 0.00 C ATOM 1028 O ALA A 67 2.902 9.870 5.825 1.00 0.00 O ATOM 1029 CB ALA A 67 1.791 12.866 5.307 1.00 0.00 C ATOM 0 H ALA A 67 3.917 14.071 5.420 1.00 0.00 H new ATOM 0 HA ALA A 67 2.774 12.105 7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.950 12.179 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.542 13.814 5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.002 13.035 4.251 1.00 0.00 H new ATOM 1035 N GLN A 68 4.297 10.953 4.412 1.00 0.00 N ATOM 1036 CA GLN A 68 4.755 9.740 3.756 1.00 0.00 C ATOM 1037 C GLN A 68 5.629 8.920 4.707 1.00 0.00 C ATOM 1038 O GLN A 68 5.527 7.695 4.749 1.00 0.00 O ATOM 1039 CB GLN A 68 5.506 10.065 2.464 1.00 0.00 C ATOM 1040 CG GLN A 68 5.407 8.910 1.466 1.00 0.00 C ATOM 1041 CD GLN A 68 6.573 8.938 0.476 1.00 0.00 C ATOM 1042 OE1 GLN A 68 6.522 9.571 -0.566 1.00 0.00 O ATOM 1043 NE2 GLN A 68 7.625 8.220 0.859 1.00 0.00 N ATOM 0 H GLN A 68 4.713 11.813 4.056 1.00 0.00 H new ATOM 0 HA GLN A 68 3.883 9.143 3.490 1.00 0.00 H new ATOM 0 HB2 GLN A 68 5.095 10.971 2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.553 10.267 2.689 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.403 7.961 2.002 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.464 8.973 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.602 7.714 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.455 8.176 0.268 1.00 0.00 H new ATOM 1052 N GLY A 69 6.468 9.629 5.448 1.00 0.00 N ATOM 1053 CA GLY A 69 7.360 8.982 6.395 1.00 0.00 C ATOM 1054 C GLY A 69 6.570 8.309 7.520 1.00 0.00 C ATOM 1055 O GLY A 69 6.830 7.157 7.863 1.00 0.00 O ATOM 0 H GLY A 69 6.549 10.645 5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.968 8.240 5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.045 9.718 6.816 1.00 0.00 H new ATOM 1059 N PHE A 70 5.620 9.057 8.062 1.00 0.00 N ATOM 1060 CA PHE A 70 4.791 8.547 9.141 1.00 0.00 C ATOM 1061 C PHE A 70 4.001 7.316 8.690 1.00 0.00 C ATOM 1062 O PHE A 70 4.069 6.265 9.324 1.00 0.00 O ATOM 1063 CB PHE A 70 3.809 9.660 9.514 1.00 0.00 C ATOM 1064 CG PHE A 70 3.503 9.743 11.011 1.00 0.00 C ATOM 1065 CD1 PHE A 70 4.484 10.085 11.887 1.00 0.00 C ATOM 1066 CD2 PHE A 70 2.249 9.476 11.464 1.00 0.00 C ATOM 1067 CE1 PHE A 70 4.200 10.162 13.277 1.00 0.00 C ATOM 1068 CE2 PHE A 70 1.964 9.553 12.853 1.00 0.00 C ATOM 1069 CZ PHE A 70 2.946 9.895 13.730 1.00 0.00 C ATOM 0 H PHE A 70 5.406 10.012 7.774 1.00 0.00 H new ATOM 0 HA PHE A 70 5.416 8.256 9.985 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.216 10.616 9.183 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.877 9.505 8.971 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.480 10.298 11.527 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.470 9.205 10.767 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.980 10.432 13.974 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.968 9.340 13.213 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.730 9.954 14.786 1.00 0.00 H new ATOM 1079 N VAL A 71 3.270 7.489 7.599 1.00 0.00 N ATOM 1080 CA VAL A 71 2.469 6.405 7.056 1.00 0.00 C ATOM 1081 C VAL A 71 3.377 5.215 6.738 1.00 0.00 C ATOM 1082 O VAL A 71 3.112 4.095 7.172 1.00 0.00 O ATOM 1083 CB VAL A 71 1.679 6.896 5.841 1.00 0.00 C ATOM 1084 CG1 VAL A 71 1.073 5.721 5.070 1.00 0.00 C ATOM 1085 CG2 VAL A 71 0.597 7.895 6.257 1.00 0.00 C ATOM 0 H VAL A 71 3.215 8.363 7.076 1.00 0.00 H new ATOM 0 HA VAL A 71 1.736 6.068 7.789 1.00 0.00 H new ATOM 0 HB VAL A 71 2.373 7.411 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.517 6.097 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.870 5.062 4.726 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.400 5.166 5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.051 8.228 5.375 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.093 7.416 6.952 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.062 8.754 6.742 1.00 0.00 H new ATOM 1095 N VAL A 72 4.428 5.499 5.983 1.00 0.00 N ATOM 1096 CA VAL A 72 5.376 4.466 5.602 1.00 0.00 C ATOM 1097 C VAL A 72 5.696 3.598 6.821 1.00 0.00 C ATOM 1098 O VAL A 72 5.577 2.375 6.765 1.00 0.00 O ATOM 1099 CB VAL A 72 6.619 5.102 4.977 1.00 0.00 C ATOM 1100 CG1 VAL A 72 7.852 4.222 5.194 1.00 0.00 C ATOM 1101 CG2 VAL A 72 6.402 5.384 3.489 1.00 0.00 C ATOM 0 H VAL A 72 4.644 6.429 5.625 1.00 0.00 H new ATOM 0 HA VAL A 72 4.945 3.813 4.843 1.00 0.00 H new ATOM 0 HB VAL A 72 6.795 6.055 5.476 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.722 4.697 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.024 4.094 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.689 3.247 4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.301 5.836 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.189 4.450 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.562 6.067 3.367 1.00 0.00 H new ATOM 1111 N GLY A 73 6.096 4.265 7.893 1.00 0.00 N ATOM 1112 CA GLY A 73 6.434 3.571 9.124 1.00 0.00 C ATOM 1113 C GLY A 73 5.283 2.671 9.579 1.00 0.00 C ATOM 1114 O GLY A 73 5.474 1.476 9.797 1.00 0.00 O ATOM 0 H GLY A 73 6.194 5.279 7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.332 2.971 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.663 4.297 9.904 1.00 0.00 H new ATOM 1118 N ALA A 74 4.114 3.280 9.710 1.00 0.00 N ATOM 1119 CA ALA A 74 2.933 2.549 10.135 1.00 0.00 C ATOM 1120 C ALA A 74 2.779 1.293 9.276 1.00 0.00 C ATOM 1121 O ALA A 74 2.788 0.177 9.795 1.00 0.00 O ATOM 1122 CB ALA A 74 1.709 3.465 10.054 1.00 0.00 C ATOM 0 H ALA A 74 3.960 4.272 9.529 1.00 0.00 H new ATOM 0 HA ALA A 74 3.033 2.228 11.172 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.823 2.917 10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.856 4.327 10.705 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.576 3.804 9.027 1.00 0.00 H new ATOM 1128 N MET A 75 2.641 1.516 7.978 1.00 0.00 N ATOM 1129 CA MET A 75 2.485 0.415 7.042 1.00 0.00 C ATOM 1130 C MET A 75 3.511 -0.686 7.315 1.00 0.00 C ATOM 1131 O MET A 75 3.150 -1.850 7.479 1.00 0.00 O ATOM 1132 CB MET A 75 2.658 0.932 5.612 1.00 0.00 C ATOM 1133 CG MET A 75 2.362 -0.169 4.592 1.00 0.00 C ATOM 1134 SD MET A 75 3.320 0.099 3.110 1.00 0.00 S ATOM 1135 CE MET A 75 2.349 1.384 2.341 1.00 0.00 C ATOM 0 H MET A 75 2.634 2.443 7.552 1.00 0.00 H new ATOM 0 HA MET A 75 1.487 -0.005 7.167 1.00 0.00 H new ATOM 0 HB2 MET A 75 1.991 1.777 5.444 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.676 1.297 5.474 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.600 -1.144 5.017 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.299 -0.177 4.351 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.810 1.672 1.396 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.340 1.016 2.155 1.00 0.00 H new ATOM 0 HE3 MET A 75 2.303 2.250 3.001 1.00 0.00 H new ATOM 1145 N THR A 76 4.772 -0.279 7.355 1.00 0.00 N ATOM 1146 CA THR A 76 5.853 -1.217 7.605 1.00 0.00 C ATOM 1147 C THR A 76 5.520 -2.108 8.804 1.00 0.00 C ATOM 1148 O THR A 76 5.679 -3.326 8.739 1.00 0.00 O ATOM 1149 CB THR A 76 7.143 -0.414 7.785 1.00 0.00 C ATOM 1150 OG1 THR A 76 7.520 -0.061 6.457 1.00 0.00 O ATOM 1151 CG2 THR A 76 8.304 -1.276 8.286 1.00 0.00 C ATOM 0 H THR A 76 5.069 0.687 7.218 1.00 0.00 H new ATOM 0 HA THR A 76 5.990 -1.896 6.763 1.00 0.00 H new ATOM 0 HB THR A 76 6.968 0.402 8.486 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.046 0.754 6.188 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.195 -0.658 8.397 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.043 -1.713 9.250 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.502 -2.072 7.569 1.00 0.00 H new ATOM 1159 N VAL A 77 5.064 -1.466 9.869 1.00 0.00 N ATOM 1160 CA VAL A 77 4.707 -2.185 11.080 1.00 0.00 C ATOM 1161 C VAL A 77 3.637 -3.228 10.752 1.00 0.00 C ATOM 1162 O VAL A 77 3.769 -4.394 11.120 1.00 0.00 O ATOM 1163 CB VAL A 77 4.268 -1.198 12.164 1.00 0.00 C ATOM 1164 CG1 VAL A 77 3.667 -1.933 13.364 1.00 0.00 C ATOM 1165 CG2 VAL A 77 5.432 -0.304 12.596 1.00 0.00 C ATOM 0 H VAL A 77 4.933 -0.456 9.919 1.00 0.00 H new ATOM 0 HA VAL A 77 5.571 -2.719 11.476 1.00 0.00 H new ATOM 0 HB VAL A 77 3.494 -0.558 11.740 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.363 -1.208 14.120 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.798 -2.507 13.041 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.411 -2.608 13.787 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.093 0.388 13.367 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.238 -0.922 12.992 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.796 0.260 11.737 1.00 0.00 H new ATOM 1175 N GLY A 78 2.602 -2.771 10.064 1.00 0.00 N ATOM 1176 CA GLY A 78 1.510 -3.650 9.683 1.00 0.00 C ATOM 1177 C GLY A 78 2.037 -4.923 9.018 1.00 0.00 C ATOM 1178 O GLY A 78 1.657 -6.029 9.398 1.00 0.00 O ATOM 0 H GLY A 78 2.496 -1.803 9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.925 -3.912 10.564 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.840 -3.129 8.999 1.00 0.00 H new ATOM 1182 N MET A 79 2.905 -4.724 8.037 1.00 0.00 N ATOM 1183 CA MET A 79 3.489 -5.842 7.316 1.00 0.00 C ATOM 1184 C MET A 79 4.214 -6.792 8.271 1.00 0.00 C ATOM 1185 O MET A 79 3.984 -8.001 8.243 1.00 0.00 O ATOM 1186 CB MET A 79 4.477 -5.317 6.272 1.00 0.00 C ATOM 1187 CG MET A 79 3.747 -4.567 5.155 1.00 0.00 C ATOM 1188 SD MET A 79 4.857 -3.411 4.369 1.00 0.00 S ATOM 1189 CE MET A 79 5.287 -4.340 2.906 1.00 0.00 C ATOM 0 H MET A 79 3.218 -3.805 7.725 1.00 0.00 H new ATOM 0 HA MET A 79 2.686 -6.392 6.826 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.198 -4.654 6.750 1.00 0.00 H new ATOM 0 HB3 MET A 79 5.041 -6.148 5.849 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.366 -5.275 4.419 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.886 -4.037 5.564 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.980 -3.759 2.297 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.758 -5.279 3.197 1.00 0.00 H new ATOM 0 HE3 MET A 79 4.386 -4.550 2.330 1.00 0.00 H new ATOM 1199 N GLY A 80 5.074 -6.211 9.094 1.00 0.00 N ATOM 1200 CA GLY A 80 5.833 -6.991 10.057 1.00 0.00 C ATOM 1201 C GLY A 80 4.912 -7.896 10.878 1.00 0.00 C ATOM 1202 O GLY A 80 5.254 -9.043 11.161 1.00 0.00 O ATOM 0 H GLY A 80 5.262 -5.209 9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.574 -7.597 9.536 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.379 -6.322 10.722 1.00 0.00 H new ATOM 1206 N TYR A 81 3.761 -7.345 11.237 1.00 0.00 N ATOM 1207 CA TYR A 81 2.789 -8.088 12.020 1.00 0.00 C ATOM 1208 C TYR A 81 2.097 -9.153 11.167 1.00 0.00 C ATOM 1209 O TYR A 81 1.692 -10.197 11.678 1.00 0.00 O ATOM 1210 CB TYR A 81 1.748 -7.066 12.481 1.00 0.00 C ATOM 1211 CG TYR A 81 2.041 -6.454 13.852 1.00 0.00 C ATOM 1212 CD1 TYR A 81 3.290 -5.933 14.123 1.00 0.00 C ATOM 1213 CD2 TYR A 81 1.056 -6.425 14.819 1.00 0.00 C ATOM 1214 CE1 TYR A 81 3.565 -5.358 15.414 1.00 0.00 C ATOM 1215 CE2 TYR A 81 1.332 -5.850 16.110 1.00 0.00 C ATOM 1216 CZ TYR A 81 2.573 -5.345 16.344 1.00 0.00 C ATOM 1217 OH TYR A 81 2.833 -4.802 17.564 1.00 0.00 O ATOM 0 H TYR A 81 3.481 -6.393 11.000 1.00 0.00 H new ATOM 0 HA TYR A 81 3.275 -8.595 12.854 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.688 -6.266 11.743 1.00 0.00 H new ATOM 0 HB3 TYR A 81 0.770 -7.547 12.511 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.061 -5.957 13.367 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.079 -6.833 14.607 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.538 -4.946 15.639 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.571 -5.820 16.875 1.00 0.00 H new ATOM 0 HH TYR A 81 2.032 -4.861 18.126 1.00 0.00 H new ATOM 1227 N SER A 82 1.982 -8.854 9.882 1.00 0.00 N ATOM 1228 CA SER A 82 1.346 -9.773 8.953 1.00 0.00 C ATOM 1229 C SER A 82 2.333 -10.173 7.855 1.00 0.00 C ATOM 1230 O SER A 82 2.121 -9.866 6.683 1.00 0.00 O ATOM 1231 CB SER A 82 0.090 -9.152 8.337 1.00 0.00 C ATOM 1232 OG SER A 82 -1.102 -9.665 8.925 1.00 0.00 O ATOM 0 H SER A 82 2.319 -7.988 9.462 1.00 0.00 H new ATOM 0 HA SER A 82 1.045 -10.664 9.505 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.121 -8.070 8.465 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.078 -9.346 7.265 1.00 0.00 H new ATOM 0 HG SER A 82 -1.881 -9.243 8.506 1.00 0.00 H new ATOM 1238 N MET A 83 3.390 -10.854 8.273 1.00 0.00 N ATOM 1239 CA MET A 83 4.410 -11.300 7.340 1.00 0.00 C ATOM 1240 C MET A 83 4.851 -12.731 7.652 1.00 0.00 C ATOM 1241 O MET A 83 4.481 -13.287 8.685 1.00 0.00 O ATOM 1242 CB MET A 83 5.619 -10.365 7.419 1.00 0.00 C ATOM 1243 CG MET A 83 5.770 -9.554 6.130 1.00 0.00 C ATOM 1244 SD MET A 83 6.722 -8.077 6.446 1.00 0.00 S ATOM 1245 CE MET A 83 7.523 -7.881 4.863 1.00 0.00 C ATOM 0 H MET A 83 3.562 -11.108 9.246 1.00 0.00 H new ATOM 0 HA MET A 83 3.989 -11.280 6.335 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.506 -9.689 8.267 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.523 -10.948 7.594 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.262 -10.157 5.367 1.00 0.00 H new ATOM 0 HG3 MET A 83 4.787 -9.287 5.741 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.161 -6.998 4.885 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.129 -8.762 4.650 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.768 -7.764 4.085 1.00 0.00 H new ATOM 1255 N TYR A 84 5.636 -13.287 6.741 1.00 0.00 N ATOM 1256 CA TYR A 84 6.131 -14.643 6.906 1.00 0.00 C ATOM 1257 C TYR A 84 7.226 -14.701 7.973 1.00 0.00 C ATOM 1258 O TYR A 84 8.411 -14.598 7.659 1.00 0.00 O ATOM 1259 CB TYR A 84 6.730 -15.041 5.556 1.00 0.00 C ATOM 1260 CG TYR A 84 5.769 -14.881 4.376 1.00 0.00 C ATOM 1261 CD1 TYR A 84 4.682 -15.722 4.254 1.00 0.00 C ATOM 1262 CD2 TYR A 84 5.988 -13.895 3.436 1.00 0.00 C ATOM 1263 CE1 TYR A 84 3.776 -15.571 3.144 1.00 0.00 C ATOM 1264 CE2 TYR A 84 5.083 -13.744 2.326 1.00 0.00 C ATOM 1265 CZ TYR A 84 4.022 -14.590 2.235 1.00 0.00 C ATOM 1266 OH TYR A 84 3.167 -14.448 1.187 1.00 0.00 O ATOM 0 H TYR A 84 5.942 -12.823 5.886 1.00 0.00 H new ATOM 0 HA TYR A 84 5.327 -15.309 7.219 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.618 -14.437 5.372 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.056 -16.080 5.607 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.510 -16.493 4.990 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.838 -13.236 3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.921 -16.222 3.036 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.243 -12.977 1.583 1.00 0.00 H new ATOM 0 HH TYR A 84 3.466 -13.707 0.619 1.00 0.00 H new ATOM 1276 N ARG A 85 6.790 -14.866 9.214 1.00 0.00 N ATOM 1277 CA ARG A 85 7.719 -14.938 10.329 1.00 0.00 C ATOM 1278 C ARG A 85 8.824 -13.893 10.169 1.00 0.00 C ATOM 1279 O ARG A 85 9.912 -14.203 9.686 1.00 0.00 O ATOM 1280 CB ARG A 85 8.351 -16.328 10.430 1.00 0.00 C ATOM 1281 CG ARG A 85 7.354 -17.345 10.990 1.00 0.00 C ATOM 1282 CD ARG A 85 7.631 -17.627 12.468 1.00 0.00 C ATOM 1283 NE ARG A 85 6.570 -18.495 13.025 1.00 0.00 N ATOM 1284 CZ ARG A 85 6.553 -19.840 12.906 1.00 0.00 C ATOM 1285 NH1 ARG A 85 7.541 -20.483 12.248 1.00 0.00 N ATOM 1286 NH2 ARG A 85 5.555 -20.517 13.443 1.00 0.00 N ATOM 0 H ARG A 85 5.807 -14.952 9.471 1.00 0.00 H new ATOM 0 HA ARG A 85 7.157 -14.739 11.242 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.690 -16.650 9.445 1.00 0.00 H new ATOM 0 HB3 ARG A 85 9.231 -16.285 11.071 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.338 -16.967 10.872 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.417 -18.273 10.421 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.602 -18.109 12.579 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.675 -16.690 13.023 1.00 0.00 H new ATOM 0 HE ARG A 85 5.804 -18.050 13.530 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.309 -19.953 11.836 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.520 -21.499 12.163 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.812 -20.024 13.938 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.527 -21.533 13.362 1.00 0.00 H new ATOM 1300 N GLU A 86 8.507 -12.675 10.584 1.00 0.00 N ATOM 1301 CA GLU A 86 9.460 -11.582 10.492 1.00 0.00 C ATOM 1302 C GLU A 86 9.188 -10.548 11.586 1.00 0.00 C ATOM 1303 O GLU A 86 8.384 -9.636 11.398 1.00 0.00 O ATOM 1304 CB GLU A 86 9.422 -10.936 9.106 1.00 0.00 C ATOM 1305 CG GLU A 86 10.431 -11.598 8.165 1.00 0.00 C ATOM 1306 CD GLU A 86 10.682 -10.729 6.931 1.00 0.00 C ATOM 1307 OE1 GLU A 86 9.684 -10.635 6.118 1.00 0.00 O ATOM 1308 OE2 GLU A 86 11.782 -10.180 6.773 1.00 0.00 O ATOM 0 H GLU A 86 7.604 -12.421 10.985 1.00 0.00 H new ATOM 0 HA GLU A 86 10.461 -11.986 10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.419 -11.022 8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.642 -9.872 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.370 -11.766 8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.059 -12.575 7.857 1.00 0.00 H new ATOM 1315 N PHE A 87 9.873 -10.724 12.706 1.00 0.00 N ATOM 1316 CA PHE A 87 9.715 -9.817 13.831 1.00 0.00 C ATOM 1317 C PHE A 87 11.066 -9.249 14.271 1.00 0.00 C ATOM 1318 O PHE A 87 11.849 -9.935 14.926 1.00 0.00 O ATOM 1319 CB PHE A 87 9.119 -10.631 14.981 1.00 0.00 C ATOM 1320 CG PHE A 87 10.041 -11.732 15.508 1.00 0.00 C ATOM 1321 CD1 PHE A 87 10.153 -12.907 14.832 1.00 0.00 C ATOM 1322 CD2 PHE A 87 10.750 -11.536 16.653 1.00 0.00 C ATOM 1323 CE1 PHE A 87 11.009 -13.929 15.321 1.00 0.00 C ATOM 1324 CE2 PHE A 87 11.606 -12.558 17.141 1.00 0.00 C ATOM 1325 CZ PHE A 87 11.717 -13.733 16.465 1.00 0.00 C ATOM 0 H PHE A 87 10.539 -11.481 12.859 1.00 0.00 H new ATOM 0 HA PHE A 87 9.074 -8.982 13.549 1.00 0.00 H new ATOM 0 HB2 PHE A 87 8.871 -9.956 15.800 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.185 -11.083 14.647 1.00 0.00 H new ATOM 0 HD1 PHE A 87 9.591 -13.063 13.923 1.00 0.00 H new ATOM 0 HD2 PHE A 87 10.661 -10.603 17.190 1.00 0.00 H new ATOM 0 HE1 PHE A 87 11.098 -14.862 14.784 1.00 0.00 H new ATOM 0 HE2 PHE A 87 12.169 -12.402 18.049 1.00 0.00 H new ATOM 0 HZ PHE A 87 12.368 -14.511 16.837 1.00 0.00 H new ATOM 1335 N TRP A 88 11.298 -8.000 13.892 1.00 0.00 N ATOM 1336 CA TRP A 88 12.541 -7.332 14.239 1.00 0.00 C ATOM 1337 C TRP A 88 13.691 -8.307 13.979 1.00 0.00 C ATOM 1338 O TRP A 88 14.328 -8.785 14.917 1.00 0.00 O ATOM 1339 CB TRP A 88 12.504 -6.821 15.681 1.00 0.00 C ATOM 1340 CG TRP A 88 11.171 -6.186 16.083 1.00 0.00 C ATOM 1341 CD1 TRP A 88 10.316 -5.503 15.310 1.00 0.00 C ATOM 1342 CD2 TRP A 88 10.571 -6.205 17.395 1.00 0.00 C ATOM 1343 NE1 TRP A 88 9.214 -5.081 16.025 1.00 0.00 N ATOM 1344 CE2 TRP A 88 9.374 -5.521 17.333 1.00 0.00 C ATOM 1345 CE3 TRP A 88 11.025 -6.780 18.595 1.00 0.00 C ATOM 1346 CZ2 TRP A 88 8.532 -5.349 18.438 1.00 0.00 C ATOM 1347 CZ3 TRP A 88 10.172 -6.599 19.690 1.00 0.00 C ATOM 1348 CH2 TRP A 88 8.964 -5.914 19.644 1.00 0.00 C ATOM 0 H TRP A 88 10.647 -7.434 13.348 1.00 0.00 H new ATOM 0 HA TRP A 88 12.689 -6.447 13.620 1.00 0.00 H new ATOM 0 HB2 TRP A 88 12.717 -7.651 16.355 1.00 0.00 H new ATOM 0 HB3 TRP A 88 13.299 -6.088 15.816 1.00 0.00 H new ATOM 0 HD1 TRP A 88 10.470 -5.307 14.259 1.00 0.00 H new ATOM 0 HE1 TRP A 88 8.427 -4.545 15.660 1.00 0.00 H new ATOM 0 HE3 TRP A 88 11.958 -7.319 18.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 7.599 -4.809 18.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 10.474 -7.021 20.637 1.00 0.00 H new ATOM 0 HH2 TRP A 88 8.361 -5.818 20.535 1.00 0.00 H new ATOM 1359 N ALA A 89 13.921 -8.573 12.702 1.00 0.00 N ATOM 1360 CA ALA A 89 14.984 -9.482 12.307 1.00 0.00 C ATOM 1361 C ALA A 89 14.993 -9.617 10.783 1.00 0.00 C ATOM 1362 O ALA A 89 14.066 -10.177 10.200 1.00 0.00 O ATOM 1363 CB ALA A 89 14.792 -10.828 13.010 1.00 0.00 C ATOM 0 H ALA A 89 13.390 -8.175 11.927 1.00 0.00 H new ATOM 0 HA ALA A 89 15.956 -9.091 12.610 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.589 -11.510 12.714 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.822 -10.682 14.090 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.828 -11.252 12.728 1.00 0.00 H new ATOM 1369 N LYS A 90 16.052 -9.095 10.181 1.00 0.00 N ATOM 1370 CA LYS A 90 16.195 -9.150 8.737 1.00 0.00 C ATOM 1371 C LYS A 90 16.870 -10.465 8.345 1.00 0.00 C ATOM 1372 O LYS A 90 17.668 -11.009 9.108 1.00 0.00 O ATOM 1373 CB LYS A 90 16.924 -7.907 8.222 1.00 0.00 C ATOM 1374 CG LYS A 90 16.018 -6.675 8.284 1.00 0.00 C ATOM 1375 CD LYS A 90 16.788 -5.453 8.788 1.00 0.00 C ATOM 1376 CE LYS A 90 16.738 -4.314 7.768 1.00 0.00 C ATOM 1377 NZ LYS A 90 17.365 -3.094 8.323 1.00 0.00 N ATOM 0 H LYS A 90 16.819 -8.632 10.668 1.00 0.00 H new ATOM 0 HA LYS A 90 15.216 -9.138 8.257 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.820 -7.734 8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 90 17.250 -8.072 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 90 15.610 -6.469 7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.173 -6.874 8.943 1.00 0.00 H new ATOM 0 HD2 LYS A 90 16.365 -5.117 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.825 -5.727 8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 90 17.254 -4.612 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.703 -4.107 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.323 -2.331 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.856 -2.801 9.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.358 -3.291 8.560 1.00 0.00 H new ATOM 1391 N PRO A 91 16.518 -10.952 7.125 1.00 0.00 N ATOM 1392 CA PRO A 91 17.081 -12.193 6.623 1.00 0.00 C ATOM 1393 C PRO A 91 18.527 -11.993 6.163 1.00 0.00 C ATOM 1394 O PRO A 91 18.793 -11.886 4.967 1.00 0.00 O ATOM 1395 CB PRO A 91 16.154 -12.619 5.496 1.00 0.00 C ATOM 1396 CG PRO A 91 15.377 -11.373 5.102 1.00 0.00 C ATOM 1397 CD PRO A 91 15.577 -10.335 6.194 1.00 0.00 C ATOM 0 HA PRO A 91 17.139 -12.967 7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 91 16.721 -13.010 4.651 1.00 0.00 H new ATOM 0 HB3 PRO A 91 15.481 -13.412 5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 91 15.728 -10.991 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.318 -11.604 4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.974 -9.405 5.788 1.00 0.00 H new ATOM 0 HD3 PRO A 91 14.635 -10.092 6.686 1.00 0.00 H new ATOM 1405 N LYS A 92 19.423 -11.948 7.138 1.00 0.00 N ATOM 1406 CA LYS A 92 20.835 -11.763 6.850 1.00 0.00 C ATOM 1407 C LYS A 92 21.286 -12.816 5.836 1.00 0.00 C ATOM 1408 O LYS A 92 20.689 -13.887 5.740 1.00 0.00 O ATOM 1409 CB LYS A 92 21.651 -11.765 8.143 1.00 0.00 C ATOM 1410 CG LYS A 92 21.642 -13.149 8.795 1.00 0.00 C ATOM 1411 CD LYS A 92 22.977 -13.866 8.581 1.00 0.00 C ATOM 1412 CE LYS A 92 22.777 -15.379 8.484 1.00 0.00 C ATOM 1413 NZ LYS A 92 23.144 -16.033 9.760 1.00 0.00 N ATOM 0 H LYS A 92 19.198 -12.037 8.129 1.00 0.00 H new ATOM 0 HA LYS A 92 21.006 -10.787 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 92 22.677 -11.466 7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 92 21.242 -11.030 8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.445 -13.050 9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 92 20.833 -13.747 8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 92 23.449 -13.499 7.670 1.00 0.00 H new ATOM 0 HD3 LYS A 92 23.653 -13.637 9.405 1.00 0.00 H new ATOM 0 HE2 LYS A 92 21.738 -15.600 8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.386 -15.781 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 23.002 -17.060 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.142 -15.837 9.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 22.545 -15.662 10.525 1.00 0.00 H new ATOM 1427 N PRO A 93 22.365 -12.466 5.085 1.00 0.00 N ATOM 1428 CA PRO A 93 22.903 -13.369 4.082 1.00 0.00 C ATOM 1429 C PRO A 93 23.685 -14.511 4.735 1.00 0.00 C ATOM 1430 O PRO A 93 24.675 -14.986 4.181 1.00 0.00 O ATOM 1431 CB PRO A 93 23.766 -12.493 3.187 1.00 0.00 C ATOM 1432 CG PRO A 93 24.052 -11.233 3.988 1.00 0.00 C ATOM 1433 CD PRO A 93 23.098 -11.206 5.171 1.00 0.00 C ATOM 0 HA PRO A 93 22.125 -13.865 3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 93 24.691 -13.002 2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 93 23.249 -12.256 2.257 1.00 0.00 H new ATOM 0 HG2 PRO A 93 25.086 -11.226 4.332 1.00 0.00 H new ATOM 0 HG3 PRO A 93 23.916 -10.347 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 93 23.639 -11.126 6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 93 22.424 -10.351 5.117 1.00 0.00 H new TER 1441 PRO A 93