USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 805 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 SER OG : rot -76:sc= -0.242 USER MOD Set 1.2: A 71 GLN : amide:sc= 0.432 X(o=0.19,f=-0.051) USER MOD Set 2.1: A 28 THR OG1 : rot -82:sc= 0.953 USER MOD Set 2.2: A 39 SER OG : rot 2:sc= -1.22! USER MOD Set 3.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 SER OG : rot -104:sc= 1.21 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 0.0338 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.21) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00396 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= -0.043 (180deg=-0.304) USER MOD Single : A 21 GLN : amide:sc= -0.85 X(o=-0.85,f=-0.8) USER MOD Single : A 26 HIS :FLIP no HD1:sc= -2.93 F(o=-3.8,f=-2.9) USER MOD Single : A 30 THR OG1 : rot 85:sc= 0.711 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0.00837 X(o=0.0084,f=0) USER MOD Single : A 67 MET CE :methyl -171:sc= -4.64 (180deg=-4.84) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 130:sc= -0.266 USER MOD Single : A 78 SER OG : rot 180:sc= -0.407 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.121 K(o=-0.12,f=-0.72) USER MOD Single : A 95 ASN : amide:sc= -0.265 K(o=-0.27,f=-0.77) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0996 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.225 -0.431 0.898 1.00 0.00 N ATOM 2 CA MET A 1 1.745 0.061 -0.372 1.00 0.00 C ATOM 3 C MET A 1 1.232 -0.785 -1.534 1.00 0.00 C ATOM 4 O MET A 1 1.009 -1.986 -1.389 1.00 0.00 O ATOM 5 CB MET A 1 3.275 0.053 -0.358 1.00 0.00 C ATOM 6 CG MET A 1 3.897 0.358 -1.712 1.00 0.00 C ATOM 7 SD MET A 1 5.699 0.342 -1.667 1.00 0.00 S ATOM 8 CE MET A 1 6.050 2.093 -1.522 1.00 0.00 C ATOM 0 H1 MET A 1 2.000 -0.499 1.588 1.00 0.00 H new ATOM 0 H2 MET A 1 0.501 0.225 1.254 1.00 0.00 H new ATOM 0 H3 MET A 1 0.802 -1.371 0.759 1.00 0.00 H new ATOM 0 HA MET A 1 1.395 1.084 -0.508 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.627 0.786 0.368 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.622 -0.923 -0.020 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.549 -0.374 -2.441 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.554 1.335 -2.053 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.129 2.246 -1.482 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.640 2.619 -2.384 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.595 2.481 -0.611 1.00 0.00 H new ATOM 18 N GLY A 2 1.045 -0.148 -2.686 1.00 0.00 N ATOM 19 CA GLY A 2 0.558 -0.858 -3.855 1.00 0.00 C ATOM 20 C GLY A 2 -0.951 -0.797 -3.983 1.00 0.00 C ATOM 21 O GLY A 2 -1.501 -1.049 -5.056 1.00 0.00 O ATOM 0 H GLY A 2 1.222 0.846 -2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.013 -0.433 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.873 -1.900 -3.801 1.00 0.00 H new ATOM 25 N VAL A 3 -1.624 -0.462 -2.887 1.00 0.00 N ATOM 26 CA VAL A 3 -3.079 -0.369 -2.881 1.00 0.00 C ATOM 27 C VAL A 3 -3.555 0.746 -1.957 1.00 0.00 C ATOM 28 O VAL A 3 -3.188 0.790 -0.783 1.00 0.00 O ATOM 29 CB VAL A 3 -3.724 -1.696 -2.442 1.00 0.00 C ATOM 30 CG1 VAL A 3 -3.187 -2.128 -1.085 1.00 0.00 C ATOM 31 CG2 VAL A 3 -5.239 -1.566 -2.407 1.00 0.00 C ATOM 0 H VAL A 3 -1.184 -0.250 -1.991 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.386 -0.145 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.464 -2.464 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.654 -3.068 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.107 -2.264 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.414 -1.362 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.678 -2.513 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.521 -0.785 -1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.605 -1.306 -3.400 1.00 0.00 H new ATOM 41 N GLN A 4 -4.373 1.644 -2.494 1.00 0.00 N ATOM 42 CA GLN A 4 -4.899 2.760 -1.717 1.00 0.00 C ATOM 43 C GLN A 4 -6.412 2.649 -1.560 1.00 0.00 C ATOM 44 O GLN A 4 -7.107 2.176 -2.460 1.00 0.00 O ATOM 45 CB GLN A 4 -4.539 4.089 -2.384 1.00 0.00 C ATOM 46 CG GLN A 4 -3.430 4.846 -1.673 1.00 0.00 C ATOM 47 CD GLN A 4 -2.298 3.941 -1.227 1.00 0.00 C ATOM 48 OE1 GLN A 4 -2.025 3.811 -0.034 1.00 0.00 O ATOM 49 NE2 GLN A 4 -1.633 3.308 -2.187 1.00 0.00 N ATOM 0 H GLN A 4 -4.686 1.621 -3.464 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.446 2.725 -0.726 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -4.235 3.899 -3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -5.428 4.718 -2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.035 5.614 -2.338 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.844 5.358 -0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -1.893 3.445 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -0.862 2.685 -1.948 1.00 0.00 H new ATOM 58 N VAL A 5 -6.917 3.088 -0.412 1.00 0.00 N ATOM 59 CA VAL A 5 -8.348 3.039 -0.137 1.00 0.00 C ATOM 60 C VAL A 5 -8.916 4.438 0.073 1.00 0.00 C ATOM 61 O VAL A 5 -8.467 5.177 0.950 1.00 0.00 O ATOM 62 CB VAL A 5 -8.652 2.181 1.105 1.00 0.00 C ATOM 63 CG1 VAL A 5 -7.872 2.689 2.309 1.00 0.00 C ATOM 64 CG2 VAL A 5 -10.146 2.172 1.393 1.00 0.00 C ATOM 0 H VAL A 5 -6.356 3.482 0.343 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.822 2.585 -1.007 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.337 1.157 0.904 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.100 2.071 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.804 2.639 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.153 3.722 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -10.343 1.561 2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.488 3.191 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.679 1.758 0.537 1.00 0.00 H new ATOM 74 N VAL A 6 -9.907 4.797 -0.736 1.00 0.00 N ATOM 75 CA VAL A 6 -10.538 6.108 -0.638 1.00 0.00 C ATOM 76 C VAL A 6 -11.945 5.998 -0.063 1.00 0.00 C ATOM 77 O VAL A 6 -12.899 5.688 -0.778 1.00 0.00 O ATOM 78 CB VAL A 6 -10.609 6.801 -2.012 1.00 0.00 C ATOM 79 CG1 VAL A 6 -11.135 8.221 -1.868 1.00 0.00 C ATOM 80 CG2 VAL A 6 -9.244 6.795 -2.683 1.00 0.00 C ATOM 0 H VAL A 6 -10.291 4.198 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.921 6.708 0.031 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.302 6.245 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.178 8.694 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.134 8.197 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.470 8.791 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.313 7.289 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.528 7.326 -2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -8.912 5.766 -2.822 1.00 0.00 H new ATOM 90 N THR A 7 -12.070 6.256 1.235 1.00 0.00 N ATOM 91 CA THR A 7 -13.361 6.186 1.908 1.00 0.00 C ATOM 92 C THR A 7 -14.384 7.090 1.230 1.00 0.00 C ATOM 93 O THR A 7 -14.207 8.307 1.165 1.00 0.00 O ATOM 94 CB THR A 7 -13.244 6.585 3.391 1.00 0.00 C ATOM 95 OG1 THR A 7 -12.081 5.983 3.970 1.00 0.00 O ATOM 96 CG2 THR A 7 -14.482 6.158 4.166 1.00 0.00 C ATOM 0 H THR A 7 -11.292 6.516 1.842 1.00 0.00 H new ATOM 0 HA THR A 7 -13.695 5.151 1.843 1.00 0.00 H new ATOM 0 HB THR A 7 -13.157 7.670 3.447 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.013 6.243 4.912 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.376 6.451 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.362 6.641 3.741 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.596 5.076 4.102 1.00 0.00 H new ATOM 104 N LEU A 8 -15.456 6.488 0.725 1.00 0.00 N ATOM 105 CA LEU A 8 -16.509 7.239 0.052 1.00 0.00 C ATOM 106 C LEU A 8 -17.689 7.482 0.988 1.00 0.00 C ATOM 107 O LEU A 8 -18.149 8.612 1.144 1.00 0.00 O ATOM 108 CB LEU A 8 -16.980 6.490 -1.196 1.00 0.00 C ATOM 109 CG LEU A 8 -15.900 6.159 -2.227 1.00 0.00 C ATOM 110 CD1 LEU A 8 -16.191 4.824 -2.895 1.00 0.00 C ATOM 111 CD2 LEU A 8 -15.797 7.266 -3.265 1.00 0.00 C ATOM 0 H LEU A 8 -15.618 5.482 0.769 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.099 8.205 -0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -17.451 5.559 -0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -17.750 7.087 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.943 6.082 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.412 4.605 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -16.213 4.037 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.157 4.872 -3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.024 7.014 -3.991 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.753 7.375 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.540 8.204 -2.772 1.00 0.00 H new ATOM 123 N ALA A 9 -18.173 6.412 1.611 1.00 0.00 N ATOM 124 CA ALA A 9 -19.295 6.509 2.536 1.00 0.00 C ATOM 125 C ALA A 9 -19.103 5.584 3.733 1.00 0.00 C ATOM 126 O ALA A 9 -19.120 4.362 3.594 1.00 0.00 O ATOM 127 CB ALA A 9 -20.598 6.184 1.820 1.00 0.00 C ATOM 0 H ALA A 9 -17.805 5.468 1.492 1.00 0.00 H new ATOM 0 HA ALA A 9 -19.341 7.533 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -21.428 6.260 2.522 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.749 6.888 1.002 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -20.551 5.170 1.422 1.00 0.00 H new ATOM 133 N ALA A 10 -18.918 6.176 4.908 1.00 0.00 N ATOM 134 CA ALA A 10 -18.723 5.405 6.130 1.00 0.00 C ATOM 135 C ALA A 10 -19.857 4.406 6.335 1.00 0.00 C ATOM 136 O ALA A 10 -20.967 4.602 5.842 1.00 0.00 O ATOM 137 CB ALA A 10 -18.613 6.335 7.329 1.00 0.00 C ATOM 0 H ALA A 10 -18.899 7.187 5.040 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.793 4.845 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.468 5.746 8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -17.765 7.006 7.193 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.528 6.921 7.420 1.00 0.00 H new ATOM 143 N GLY A 11 -19.569 3.333 7.065 1.00 0.00 N ATOM 144 CA GLY A 11 -20.575 2.318 7.322 1.00 0.00 C ATOM 145 C GLY A 11 -20.667 1.951 8.789 1.00 0.00 C ATOM 146 O GLY A 11 -20.958 2.800 9.632 1.00 0.00 O ATOM 0 H GLY A 11 -18.657 3.148 7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -21.545 2.678 6.979 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -20.343 1.425 6.741 1.00 0.00 H new ATOM 150 N ASP A 12 -20.420 0.682 9.096 1.00 0.00 N ATOM 151 CA ASP A 12 -20.477 0.204 10.473 1.00 0.00 C ATOM 152 C ASP A 12 -19.173 0.501 11.206 1.00 0.00 C ATOM 153 O ASP A 12 -19.182 0.912 12.366 1.00 0.00 O ATOM 154 CB ASP A 12 -20.761 -1.299 10.502 1.00 0.00 C ATOM 155 CG ASP A 12 -22.209 -1.620 10.187 1.00 0.00 C ATOM 156 OD1 ASP A 12 -22.672 -1.255 9.086 1.00 0.00 O ATOM 157 OD2 ASP A 12 -22.880 -2.236 11.042 1.00 0.00 O ATOM 0 H ASP A 12 -20.179 -0.034 8.411 1.00 0.00 H new ATOM 0 HA ASP A 12 -21.286 0.729 10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -20.115 -1.802 9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -20.510 -1.695 11.486 1.00 0.00 H new ATOM 162 N GLU A 13 -18.053 0.290 10.521 1.00 0.00 N ATOM 163 CA GLU A 13 -16.741 0.533 11.109 1.00 0.00 C ATOM 164 C GLU A 13 -16.558 -0.281 12.386 1.00 0.00 C ATOM 165 O GLU A 13 -15.757 0.074 13.252 1.00 0.00 O ATOM 166 CB GLU A 13 -16.561 2.023 11.410 1.00 0.00 C ATOM 167 CG GLU A 13 -15.963 2.809 10.256 1.00 0.00 C ATOM 168 CD GLU A 13 -17.001 3.218 9.228 1.00 0.00 C ATOM 169 OE1 GLU A 13 -17.349 2.378 8.372 1.00 0.00 O ATOM 170 OE2 GLU A 13 -17.464 4.376 9.280 1.00 0.00 O ATOM 0 H GLU A 13 -18.028 -0.048 9.559 1.00 0.00 H new ATOM 0 HA GLU A 13 -15.985 0.221 10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.529 2.452 11.668 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.920 2.134 12.285 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.471 3.701 10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.194 2.207 9.771 1.00 0.00 H new ATOM 177 N ALA A 14 -17.305 -1.374 12.497 1.00 0.00 N ATOM 178 CA ALA A 14 -17.225 -2.239 13.667 1.00 0.00 C ATOM 179 C ALA A 14 -17.056 -3.699 13.259 1.00 0.00 C ATOM 180 O ALA A 14 -16.314 -4.451 13.893 1.00 0.00 O ATOM 181 CB ALA A 14 -18.463 -2.071 14.534 1.00 0.00 C ATOM 0 H ALA A 14 -17.973 -1.682 11.790 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.349 -1.946 14.245 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.389 -2.723 15.404 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -18.539 -1.035 14.863 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.350 -2.335 13.957 1.00 0.00 H new ATOM 187 N THR A 15 -17.750 -4.096 12.197 1.00 0.00 N ATOM 188 CA THR A 15 -17.678 -5.466 11.705 1.00 0.00 C ATOM 189 C THR A 15 -16.764 -5.568 10.490 1.00 0.00 C ATOM 190 O THR A 15 -17.113 -5.116 9.399 1.00 0.00 O ATOM 191 CB THR A 15 -19.073 -6.002 11.330 1.00 0.00 C ATOM 192 OG1 THR A 15 -20.058 -5.468 12.221 1.00 0.00 O ATOM 193 CG2 THR A 15 -19.101 -7.522 11.386 1.00 0.00 C ATOM 0 H THR A 15 -18.369 -3.488 11.661 1.00 0.00 H new ATOM 0 HA THR A 15 -17.269 -6.071 12.515 1.00 0.00 H new ATOM 0 HB THR A 15 -19.298 -5.688 10.311 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.942 -5.812 11.975 1.00 0.00 H new ATOM 0 HG21 THR A 15 -20.096 -7.878 11.118 1.00 0.00 H new ATOM 0 HG22 THR A 15 -18.370 -7.925 10.685 1.00 0.00 H new ATOM 0 HG23 THR A 15 -18.857 -7.853 12.395 1.00 0.00 H new ATOM 201 N TYR A 16 -15.592 -6.163 10.685 1.00 0.00 N ATOM 202 CA TYR A 16 -14.626 -6.322 9.604 1.00 0.00 C ATOM 203 C TYR A 16 -14.465 -7.792 9.229 1.00 0.00 C ATOM 204 O TYR A 16 -14.701 -8.694 10.034 1.00 0.00 O ATOM 205 CB TYR A 16 -13.273 -5.737 10.011 1.00 0.00 C ATOM 206 CG TYR A 16 -13.301 -4.241 10.231 1.00 0.00 C ATOM 207 CD1 TYR A 16 -13.928 -3.694 11.344 1.00 0.00 C ATOM 208 CD2 TYR A 16 -12.702 -3.374 9.325 1.00 0.00 C ATOM 209 CE1 TYR A 16 -13.958 -2.328 11.548 1.00 0.00 C ATOM 210 CE2 TYR A 16 -12.725 -2.007 9.522 1.00 0.00 C ATOM 211 CZ TYR A 16 -13.354 -1.489 10.634 1.00 0.00 C ATOM 212 OH TYR A 16 -13.380 -0.128 10.834 1.00 0.00 O ATOM 0 H TYR A 16 -15.288 -6.543 11.581 1.00 0.00 H new ATOM 0 HA TYR A 16 -15.001 -5.783 8.734 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -12.937 -6.224 10.926 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.539 -5.968 9.239 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -14.400 -4.348 12.062 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -12.210 -3.776 8.452 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.451 -1.919 12.418 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.253 -1.348 8.809 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.909 0.320 10.100 1.00 0.00 H new ATOM 222 N PRO A 17 -14.054 -8.040 7.977 1.00 0.00 N ATOM 223 CA PRO A 17 -13.850 -9.399 7.466 1.00 0.00 C ATOM 224 C PRO A 17 -12.645 -10.084 8.102 1.00 0.00 C ATOM 225 O PRO A 17 -11.517 -9.603 7.996 1.00 0.00 O ATOM 226 CB PRO A 17 -13.613 -9.183 5.969 1.00 0.00 C ATOM 227 CG PRO A 17 -13.086 -7.793 5.866 1.00 0.00 C ATOM 228 CD PRO A 17 -13.755 -7.014 6.965 1.00 0.00 C ATOM 0 HA PRO A 17 -14.696 -10.049 7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.901 -9.907 5.572 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.536 -9.300 5.401 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.002 -7.777 5.980 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.310 -7.362 4.890 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.102 -6.237 7.362 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -14.661 -6.520 6.613 1.00 0.00 H new ATOM 236 N LYS A 18 -12.892 -11.209 8.764 1.00 0.00 N ATOM 237 CA LYS A 18 -11.827 -11.962 9.417 1.00 0.00 C ATOM 238 C LYS A 18 -10.898 -12.596 8.386 1.00 0.00 C ATOM 239 O LYS A 18 -11.352 -13.152 7.387 1.00 0.00 O ATOM 240 CB LYS A 18 -12.421 -13.046 10.319 1.00 0.00 C ATOM 241 CG LYS A 18 -11.521 -13.430 11.481 1.00 0.00 C ATOM 242 CD LYS A 18 -12.320 -14.004 12.639 1.00 0.00 C ATOM 243 CE LYS A 18 -11.489 -14.071 13.911 1.00 0.00 C ATOM 244 NZ LYS A 18 -11.174 -12.714 14.439 1.00 0.00 N ATOM 0 H LYS A 18 -13.820 -11.620 8.863 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.246 -11.269 10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.377 -12.698 10.710 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.626 -13.933 9.720 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.786 -14.162 11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.967 -12.554 11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.204 -13.390 12.812 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.672 -15.003 12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.029 -14.639 14.668 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.561 -14.607 13.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.884 -12.788 15.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.400 -12.296 13.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.017 -12.109 14.367 1.00 0.00 H new ATOM 258 N ALA A 19 -9.596 -12.509 8.638 1.00 0.00 N ATOM 259 CA ALA A 19 -8.604 -13.077 7.733 1.00 0.00 C ATOM 260 C ALA A 19 -8.819 -14.576 7.554 1.00 0.00 C ATOM 261 O ALA A 19 -8.651 -15.353 8.492 1.00 0.00 O ATOM 262 CB ALA A 19 -7.200 -12.801 8.250 1.00 0.00 C ATOM 0 H ALA A 19 -9.204 -12.051 9.461 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.721 -12.601 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.469 -13.231 7.565 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.043 -11.725 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.081 -13.250 9.236 1.00 0.00 H new ATOM 268 N GLY A 20 -9.193 -14.975 6.342 1.00 0.00 N ATOM 269 CA GLY A 20 -9.425 -16.380 6.063 1.00 0.00 C ATOM 270 C GLY A 20 -10.900 -16.728 6.030 1.00 0.00 C ATOM 271 O GLY A 20 -11.266 -17.887 5.841 1.00 0.00 O ATOM 0 H GLY A 20 -9.339 -14.351 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.973 -16.637 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.929 -16.985 6.822 1.00 0.00 H new ATOM 275 N GLN A 21 -11.749 -15.721 6.216 1.00 0.00 N ATOM 276 CA GLN A 21 -13.192 -15.928 6.210 1.00 0.00 C ATOM 277 C GLN A 21 -13.821 -15.334 4.954 1.00 0.00 C ATOM 278 O GLN A 21 -13.177 -14.586 4.219 1.00 0.00 O ATOM 279 CB GLN A 21 -13.824 -15.304 7.455 1.00 0.00 C ATOM 280 CG GLN A 21 -14.335 -16.327 8.456 1.00 0.00 C ATOM 281 CD GLN A 21 -15.536 -15.831 9.237 1.00 0.00 C ATOM 282 OE1 GLN A 21 -16.531 -16.541 9.386 1.00 0.00 O ATOM 283 NE2 GLN A 21 -15.449 -14.605 9.741 1.00 0.00 N ATOM 0 H GLN A 21 -11.462 -14.755 6.373 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.380 -17.002 6.216 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.089 -14.665 7.944 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.651 -14.662 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -14.602 -17.243 7.929 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -13.534 -16.581 9.151 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.605 -14.051 9.593 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -16.226 -14.217 10.276 1.00 0.00 H new ATOM 292 N VAL A 22 -15.084 -15.674 4.713 1.00 0.00 N ATOM 293 CA VAL A 22 -15.801 -15.173 3.546 1.00 0.00 C ATOM 294 C VAL A 22 -16.445 -13.822 3.834 1.00 0.00 C ATOM 295 O VAL A 22 -16.816 -13.530 4.971 1.00 0.00 O ATOM 296 CB VAL A 22 -16.890 -16.162 3.090 1.00 0.00 C ATOM 297 CG1 VAL A 22 -17.494 -15.719 1.766 1.00 0.00 C ATOM 298 CG2 VAL A 22 -16.320 -17.569 2.981 1.00 0.00 C ATOM 0 H VAL A 22 -15.631 -16.294 5.310 1.00 0.00 H new ATOM 0 HA VAL A 22 -15.067 -15.059 2.748 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.683 -16.172 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -18.261 -16.430 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -17.940 -14.731 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -16.714 -15.678 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -17.103 -18.255 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -15.508 -17.577 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.940 -17.884 3.953 1.00 0.00 H new ATOM 308 N ALA A 23 -16.574 -13.001 2.797 1.00 0.00 N ATOM 309 CA ALA A 23 -17.176 -11.681 2.939 1.00 0.00 C ATOM 310 C ALA A 23 -17.832 -11.235 1.636 1.00 0.00 C ATOM 311 O ALA A 23 -17.259 -11.386 0.557 1.00 0.00 O ATOM 312 CB ALA A 23 -16.129 -10.668 3.379 1.00 0.00 C ATOM 0 H ALA A 23 -16.270 -13.227 1.850 1.00 0.00 H new ATOM 0 HA ALA A 23 -17.950 -11.742 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.592 -9.687 3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.709 -10.972 4.338 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.335 -10.618 2.634 1.00 0.00 H new ATOM 318 N VAL A 24 -19.037 -10.684 1.745 1.00 0.00 N ATOM 319 CA VAL A 24 -19.771 -10.215 0.575 1.00 0.00 C ATOM 320 C VAL A 24 -19.637 -8.705 0.411 1.00 0.00 C ATOM 321 O VAL A 24 -19.866 -7.945 1.352 1.00 0.00 O ATOM 322 CB VAL A 24 -21.264 -10.579 0.667 1.00 0.00 C ATOM 323 CG1 VAL A 24 -21.953 -10.349 -0.670 1.00 0.00 C ATOM 324 CG2 VAL A 24 -21.433 -12.021 1.121 1.00 0.00 C ATOM 0 H VAL A 24 -19.525 -10.551 2.631 1.00 0.00 H new ATOM 0 HA VAL A 24 -19.336 -10.712 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 24 -21.733 -9.931 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -23.008 -10.612 -0.586 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -21.862 -9.300 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -21.484 -10.971 -1.433 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -22.494 -12.262 1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -20.950 -12.687 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -20.976 -12.149 2.102 1.00 0.00 H new ATOM 334 N VAL A 25 -19.264 -8.276 -0.790 1.00 0.00 N ATOM 335 CA VAL A 25 -19.100 -6.856 -1.079 1.00 0.00 C ATOM 336 C VAL A 25 -19.467 -6.544 -2.525 1.00 0.00 C ATOM 337 O VAL A 25 -19.725 -7.448 -3.321 1.00 0.00 O ATOM 338 CB VAL A 25 -17.656 -6.393 -0.815 1.00 0.00 C ATOM 339 CG1 VAL A 25 -17.141 -6.968 0.496 1.00 0.00 C ATOM 340 CG2 VAL A 25 -16.750 -6.788 -1.972 1.00 0.00 C ATOM 0 H VAL A 25 -19.069 -8.892 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 25 -19.773 -6.317 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 25 -17.651 -5.306 -0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -16.119 -6.629 0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.775 -6.630 1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.159 -8.057 0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.733 -6.453 -1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.759 -7.872 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -17.109 -6.323 -2.890 1.00 0.00 H new ATOM 350 N HIS A 26 -19.487 -5.258 -2.860 1.00 0.00 N ATOM 351 CA HIS A 26 -19.821 -4.825 -4.213 1.00 0.00 C ATOM 352 C HIS A 26 -18.621 -4.163 -4.883 1.00 0.00 C ATOM 353 O HIS A 26 -18.076 -3.183 -4.374 1.00 0.00 O ATOM 354 CB HIS A 26 -21.003 -3.856 -4.184 1.00 0.00 C ATOM 355 CG HIS A 26 -22.301 -4.482 -4.590 1.00 0.00 C ATOM 356 ND1 HIS A 26 -23.474 -4.600 -3.924 1.00 0.00 N flip ATOM 357 CD2 HIS A 26 -22.496 -5.083 -5.816 1.00 0.00 C flip ATOM 358 CE1 HIS A 26 -24.347 -5.263 -4.751 1.00 0.00 C flip ATOM 359 NE2 HIS A 26 -23.733 -5.543 -5.887 1.00 0.00 N flip ATOM 0 H HIS A 26 -19.276 -4.498 -2.214 1.00 0.00 H new ATOM 0 HA HIS A 26 -20.098 -5.706 -4.792 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -21.104 -3.450 -3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -20.791 -3.017 -4.847 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -21.754 -5.165 -6.596 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -25.370 -5.515 -4.512 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -24.144 -6.031 -6.683 1.00 0.00 H new ATOM 367 N TYR A 27 -18.214 -4.704 -6.026 1.00 0.00 N ATOM 368 CA TYR A 27 -17.077 -4.168 -6.764 1.00 0.00 C ATOM 369 C TYR A 27 -17.542 -3.388 -7.990 1.00 0.00 C ATOM 370 O TYR A 27 -18.495 -3.778 -8.665 1.00 0.00 O ATOM 371 CB TYR A 27 -16.140 -5.299 -7.190 1.00 0.00 C ATOM 372 CG TYR A 27 -16.783 -6.299 -8.124 1.00 0.00 C ATOM 373 CD1 TYR A 27 -16.916 -6.026 -9.480 1.00 0.00 C ATOM 374 CD2 TYR A 27 -17.256 -7.516 -7.651 1.00 0.00 C ATOM 375 CE1 TYR A 27 -17.504 -6.937 -10.337 1.00 0.00 C ATOM 376 CE2 TYR A 27 -17.844 -8.433 -8.501 1.00 0.00 C ATOM 377 CZ TYR A 27 -17.966 -8.139 -9.843 1.00 0.00 C ATOM 378 OH TYR A 27 -18.551 -9.049 -10.693 1.00 0.00 O ATOM 0 H TYR A 27 -18.655 -5.514 -6.462 1.00 0.00 H new ATOM 0 HA TYR A 27 -16.537 -3.487 -6.106 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.265 -4.870 -7.678 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -15.786 -5.821 -6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.554 -5.086 -9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -17.163 -7.750 -6.601 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.601 -6.709 -11.388 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -18.206 -9.375 -8.117 1.00 0.00 H new ATOM 0 HH TYR A 27 -18.821 -9.843 -10.186 1.00 0.00 H new ATOM 388 N THR A 28 -16.861 -2.282 -8.274 1.00 0.00 N ATOM 389 CA THR A 28 -17.202 -1.446 -9.417 1.00 0.00 C ATOM 390 C THR A 28 -15.955 -1.044 -10.197 1.00 0.00 C ATOM 391 O THR A 28 -15.027 -0.457 -9.642 1.00 0.00 O ATOM 392 CB THR A 28 -17.952 -0.174 -8.979 1.00 0.00 C ATOM 393 OG1 THR A 28 -19.057 -0.522 -8.137 1.00 0.00 O ATOM 394 CG2 THR A 28 -18.454 0.602 -10.188 1.00 0.00 C ATOM 0 H THR A 28 -16.069 -1.945 -7.727 1.00 0.00 H new ATOM 0 HA THR A 28 -17.853 -2.040 -10.059 1.00 0.00 H new ATOM 0 HB THR A 28 -17.258 0.457 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.817 -0.797 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.980 1.496 -9.854 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.608 0.891 -10.812 1.00 0.00 H new ATOM 0 HG23 THR A 28 -19.134 -0.024 -10.766 1.00 0.00 H new ATOM 402 N GLY A 29 -15.941 -1.364 -11.487 1.00 0.00 N ATOM 403 CA GLY A 29 -14.802 -1.027 -12.322 1.00 0.00 C ATOM 404 C GLY A 29 -14.624 0.469 -12.484 1.00 0.00 C ATOM 405 O GLY A 29 -15.602 1.213 -12.568 1.00 0.00 O ATOM 0 H GLY A 29 -16.697 -1.850 -11.969 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.898 -1.452 -11.886 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.928 -1.483 -13.304 1.00 0.00 H new ATOM 409 N THR A 30 -13.372 0.914 -12.526 1.00 0.00 N ATOM 410 CA THR A 30 -13.069 2.331 -12.676 1.00 0.00 C ATOM 411 C THR A 30 -11.584 2.551 -12.942 1.00 0.00 C ATOM 412 O THR A 30 -10.732 1.891 -12.346 1.00 0.00 O ATOM 413 CB THR A 30 -13.478 3.129 -11.423 1.00 0.00 C ATOM 414 OG1 THR A 30 -14.025 2.246 -10.437 1.00 0.00 O ATOM 415 CG2 THR A 30 -14.498 4.201 -11.773 1.00 0.00 C ATOM 0 H THR A 30 -12.551 0.312 -12.458 1.00 0.00 H new ATOM 0 HA THR A 30 -13.645 2.688 -13.530 1.00 0.00 H new ATOM 0 HB THR A 30 -12.588 3.614 -11.022 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.298 1.852 -9.911 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.771 4.751 -10.873 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.068 4.888 -12.502 1.00 0.00 H new ATOM 0 HG23 THR A 30 -15.387 3.733 -12.196 1.00 0.00 H new ATOM 423 N LEU A 31 -11.280 3.482 -13.839 1.00 0.00 N ATOM 424 CA LEU A 31 -9.896 3.790 -14.184 1.00 0.00 C ATOM 425 C LEU A 31 -9.410 5.025 -13.433 1.00 0.00 C ATOM 426 O LEU A 31 -10.210 5.835 -12.966 1.00 0.00 O ATOM 427 CB LEU A 31 -9.763 4.011 -15.692 1.00 0.00 C ATOM 428 CG LEU A 31 -9.714 2.748 -16.553 1.00 0.00 C ATOM 429 CD1 LEU A 31 -9.604 3.110 -18.026 1.00 0.00 C ATOM 430 CD2 LEU A 31 -8.553 1.859 -16.132 1.00 0.00 C ATOM 0 H LEU A 31 -11.973 4.037 -14.341 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.277 2.942 -13.891 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.602 4.621 -16.025 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.857 4.588 -15.876 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.641 2.194 -16.404 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.570 2.199 -18.623 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.469 3.705 -18.320 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.694 3.686 -18.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.534 0.965 -16.756 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.616 2.404 -16.250 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.676 1.570 -15.088 1.00 0.00 H new ATOM 442 N ALA A 32 -8.093 5.163 -13.322 1.00 0.00 N ATOM 443 CA ALA A 32 -7.500 6.302 -12.631 1.00 0.00 C ATOM 444 C ALA A 32 -7.932 7.617 -13.270 1.00 0.00 C ATOM 445 O ALA A 32 -7.887 8.671 -12.634 1.00 0.00 O ATOM 446 CB ALA A 32 -5.982 6.187 -12.631 1.00 0.00 C ATOM 0 H ALA A 32 -7.416 4.501 -13.701 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.854 6.295 -11.600 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.552 7.044 -12.112 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.687 5.269 -12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.619 6.166 -13.658 1.00 0.00 H new ATOM 452 N ASP A 33 -8.351 7.549 -14.529 1.00 0.00 N ATOM 453 CA ASP A 33 -8.792 8.735 -15.253 1.00 0.00 C ATOM 454 C ASP A 33 -10.243 9.068 -14.918 1.00 0.00 C ATOM 455 O ASP A 33 -10.718 10.168 -15.197 1.00 0.00 O ATOM 456 CB ASP A 33 -8.638 8.525 -16.760 1.00 0.00 C ATOM 457 CG ASP A 33 -7.362 7.787 -17.115 1.00 0.00 C ATOM 458 OD1 ASP A 33 -6.274 8.261 -16.725 1.00 0.00 O ATOM 459 OD2 ASP A 33 -7.452 6.735 -17.781 1.00 0.00 O ATOM 0 H ASP A 33 -8.394 6.685 -15.069 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.166 9.572 -14.945 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.494 7.965 -17.135 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.646 9.493 -17.261 1.00 0.00 H new ATOM 464 N GLY A 34 -10.942 8.108 -14.320 1.00 0.00 N ATOM 465 CA GLY A 34 -12.332 8.318 -13.958 1.00 0.00 C ATOM 466 C GLY A 34 -13.281 7.482 -14.793 1.00 0.00 C ATOM 467 O GLY A 34 -14.446 7.307 -14.435 1.00 0.00 O ATOM 0 H GLY A 34 -10.571 7.189 -14.080 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.470 8.076 -12.904 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.580 9.373 -14.078 1.00 0.00 H new ATOM 471 N LYS A 35 -12.783 6.964 -15.911 1.00 0.00 N ATOM 472 CA LYS A 35 -13.594 6.142 -16.801 1.00 0.00 C ATOM 473 C LYS A 35 -14.278 5.017 -16.030 1.00 0.00 C ATOM 474 O LYS A 35 -13.617 4.168 -15.434 1.00 0.00 O ATOM 475 CB LYS A 35 -12.728 5.555 -17.918 1.00 0.00 C ATOM 476 CG LYS A 35 -13.094 6.062 -19.302 1.00 0.00 C ATOM 477 CD LYS A 35 -14.539 5.745 -19.648 1.00 0.00 C ATOM 478 CE LYS A 35 -14.855 6.093 -21.094 1.00 0.00 C ATOM 479 NZ LYS A 35 -16.321 6.226 -21.325 1.00 0.00 N ATOM 0 H LYS A 35 -11.821 7.099 -16.222 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.363 6.777 -17.241 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.683 5.792 -17.718 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.817 4.469 -17.903 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.936 7.139 -19.349 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.434 5.610 -20.042 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.731 4.686 -19.477 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -15.203 6.300 -18.986 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.359 7.027 -21.359 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.453 5.321 -21.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -16.495 6.464 -22.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.791 5.327 -21.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.701 6.980 -20.718 1.00 0.00 H new ATOM 493 N VAL A 36 -15.608 5.017 -16.048 1.00 0.00 N ATOM 494 CA VAL A 36 -16.381 3.996 -15.353 1.00 0.00 C ATOM 495 C VAL A 36 -16.403 2.691 -16.141 1.00 0.00 C ATOM 496 O VAL A 36 -16.504 2.696 -17.368 1.00 0.00 O ATOM 497 CB VAL A 36 -17.830 4.459 -15.108 1.00 0.00 C ATOM 498 CG1 VAL A 36 -18.620 4.452 -16.408 1.00 0.00 C ATOM 499 CG2 VAL A 36 -18.500 3.580 -14.063 1.00 0.00 C ATOM 0 H VAL A 36 -16.171 5.713 -16.537 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.893 3.829 -14.393 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.808 5.481 -14.730 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.641 4.782 -16.215 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.150 5.127 -17.123 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.636 3.442 -16.818 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -19.523 3.921 -13.902 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -18.512 2.547 -14.410 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -17.946 3.641 -13.126 1.00 0.00 H new ATOM 509 N PHE A 37 -16.308 1.574 -15.428 1.00 0.00 N ATOM 510 CA PHE A 37 -16.316 0.260 -16.061 1.00 0.00 C ATOM 511 C PHE A 37 -17.468 -0.590 -15.535 1.00 0.00 C ATOM 512 O PHE A 37 -18.300 -0.116 -14.761 1.00 0.00 O ATOM 513 CB PHE A 37 -14.986 -0.456 -15.815 1.00 0.00 C ATOM 514 CG PHE A 37 -13.985 -0.256 -16.918 1.00 0.00 C ATOM 515 CD1 PHE A 37 -13.382 0.977 -17.108 1.00 0.00 C ATOM 516 CD2 PHE A 37 -13.648 -1.301 -17.763 1.00 0.00 C ATOM 517 CE1 PHE A 37 -12.460 1.164 -18.121 1.00 0.00 C ATOM 518 CE2 PHE A 37 -12.727 -1.119 -18.778 1.00 0.00 C ATOM 519 CZ PHE A 37 -12.133 0.115 -18.958 1.00 0.00 C ATOM 0 H PHE A 37 -16.225 1.552 -14.412 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.452 0.402 -17.133 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.558 -0.100 -14.878 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -15.174 -1.523 -15.694 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.635 1.801 -16.457 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -14.110 -2.268 -17.627 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.996 2.129 -18.258 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -12.472 -1.941 -19.430 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.415 0.259 -19.751 1.00 0.00 H new ATOM 529 N ASP A 38 -17.510 -1.848 -15.961 1.00 0.00 N ATOM 530 CA ASP A 38 -18.560 -2.765 -15.533 1.00 0.00 C ATOM 531 C ASP A 38 -18.617 -2.855 -14.011 1.00 0.00 C ATOM 532 O ASP A 38 -17.589 -3.001 -13.349 1.00 0.00 O ATOM 533 CB ASP A 38 -18.327 -4.154 -16.129 1.00 0.00 C ATOM 534 CG ASP A 38 -19.598 -4.978 -16.193 1.00 0.00 C ATOM 535 OD1 ASP A 38 -20.304 -4.901 -17.221 1.00 0.00 O ATOM 536 OD2 ASP A 38 -19.887 -5.699 -15.216 1.00 0.00 O ATOM 0 H ASP A 38 -16.829 -2.256 -16.602 1.00 0.00 H new ATOM 0 HA ASP A 38 -19.514 -2.378 -15.892 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -17.914 -4.051 -17.132 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -17.585 -4.683 -15.531 1.00 0.00 H new ATOM 541 N SER A 39 -19.824 -2.764 -13.463 1.00 0.00 N ATOM 542 CA SER A 39 -20.014 -2.830 -12.018 1.00 0.00 C ATOM 543 C SER A 39 -20.985 -3.948 -11.648 1.00 0.00 C ATOM 544 O SER A 39 -21.919 -4.245 -12.393 1.00 0.00 O ATOM 545 CB SER A 39 -20.535 -1.492 -11.490 1.00 0.00 C ATOM 546 OG SER A 39 -20.485 -1.448 -10.074 1.00 0.00 O ATOM 0 H SER A 39 -20.685 -2.644 -13.997 1.00 0.00 H new ATOM 0 HA SER A 39 -19.049 -3.044 -11.559 1.00 0.00 H new ATOM 0 HB2 SER A 39 -19.940 -0.678 -11.903 1.00 0.00 H new ATOM 0 HB3 SER A 39 -21.561 -1.340 -11.826 1.00 0.00 H new ATOM 0 HG SER A 39 -20.096 -2.281 -9.734 1.00 0.00 H new ATOM 552 N SER A 40 -20.756 -4.563 -10.493 1.00 0.00 N ATOM 553 CA SER A 40 -21.607 -5.651 -10.024 1.00 0.00 C ATOM 554 C SER A 40 -22.888 -5.108 -9.398 1.00 0.00 C ATOM 555 O SER A 40 -23.888 -5.817 -9.290 1.00 0.00 O ATOM 556 CB SER A 40 -20.855 -6.513 -9.009 1.00 0.00 C ATOM 557 OG SER A 40 -21.200 -7.881 -9.147 1.00 0.00 O ATOM 0 H SER A 40 -19.988 -4.327 -9.864 1.00 0.00 H new ATOM 0 HA SER A 40 -21.876 -6.265 -10.883 1.00 0.00 H new ATOM 0 HB2 SER A 40 -19.781 -6.390 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 40 -21.087 -6.176 -7.999 1.00 0.00 H new ATOM 0 HG SER A 40 -21.811 -8.139 -8.426 1.00 0.00 H new ATOM 563 N ARG A 41 -22.848 -3.844 -8.987 1.00 0.00 N ATOM 564 CA ARG A 41 -24.004 -3.205 -8.371 1.00 0.00 C ATOM 565 C ARG A 41 -24.989 -2.723 -9.432 1.00 0.00 C ATOM 566 O ARG A 41 -26.173 -2.530 -9.154 1.00 0.00 O ATOM 567 CB ARG A 41 -23.559 -2.029 -7.500 1.00 0.00 C ATOM 568 CG ARG A 41 -22.660 -1.041 -8.225 1.00 0.00 C ATOM 569 CD ARG A 41 -22.843 0.372 -7.695 1.00 0.00 C ATOM 570 NE ARG A 41 -22.843 0.414 -6.235 1.00 0.00 N ATOM 571 CZ ARG A 41 -23.347 1.419 -5.528 1.00 0.00 C ATOM 572 NH1 ARG A 41 -23.889 2.461 -6.144 1.00 0.00 N ATOM 573 NH2 ARG A 41 -23.310 1.384 -4.202 1.00 0.00 N ATOM 0 H ARG A 41 -22.028 -3.243 -9.070 1.00 0.00 H new ATOM 0 HA ARG A 41 -24.505 -3.943 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -24.442 -1.504 -7.135 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -23.032 -2.413 -6.627 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -21.619 -1.342 -8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -22.881 -1.062 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -22.044 1.008 -8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -23.782 0.781 -8.069 1.00 0.00 H new ATOM 0 HE ARG A 41 -22.433 -0.372 -5.730 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -23.919 2.492 -7.163 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -24.275 3.232 -5.599 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -22.894 0.584 -3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -23.697 2.157 -3.660 1.00 0.00 H new ATOM 587 N THR A 42 -24.492 -2.529 -10.649 1.00 0.00 N ATOM 588 CA THR A 42 -25.326 -2.068 -11.752 1.00 0.00 C ATOM 589 C THR A 42 -26.580 -2.924 -11.887 1.00 0.00 C ATOM 590 O THR A 42 -27.618 -2.451 -12.352 1.00 0.00 O ATOM 591 CB THR A 42 -24.557 -2.090 -13.086 1.00 0.00 C ATOM 592 OG1 THR A 42 -25.237 -1.287 -14.057 1.00 0.00 O ATOM 593 CG2 THR A 42 -24.416 -3.513 -13.606 1.00 0.00 C ATOM 0 H THR A 42 -23.515 -2.684 -10.896 1.00 0.00 H new ATOM 0 HA THR A 42 -25.612 -1.041 -11.524 1.00 0.00 H new ATOM 0 HB THR A 42 -23.561 -1.683 -12.912 1.00 0.00 H new ATOM 0 HG1 THR A 42 -24.741 -1.305 -14.902 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.870 -3.503 -14.549 1.00 0.00 H new ATOM 0 HG22 THR A 42 -23.872 -4.114 -12.878 1.00 0.00 H new ATOM 0 HG23 THR A 42 -25.405 -3.942 -13.764 1.00 0.00 H new ATOM 601 N ARG A 43 -26.478 -4.184 -11.478 1.00 0.00 N ATOM 602 CA ARG A 43 -27.605 -5.106 -11.555 1.00 0.00 C ATOM 603 C ARG A 43 -28.083 -5.498 -10.160 1.00 0.00 C ATOM 604 O ARG A 43 -29.139 -6.109 -10.003 1.00 0.00 O ATOM 605 CB ARG A 43 -27.215 -6.358 -12.342 1.00 0.00 C ATOM 606 CG ARG A 43 -27.100 -6.124 -13.840 1.00 0.00 C ATOM 607 CD ARG A 43 -28.462 -6.150 -14.514 1.00 0.00 C ATOM 608 NE ARG A 43 -28.352 -6.253 -15.967 1.00 0.00 N ATOM 609 CZ ARG A 43 -29.379 -6.094 -16.795 1.00 0.00 C ATOM 610 NH1 ARG A 43 -30.586 -5.825 -16.316 1.00 0.00 N ATOM 611 NH2 ARG A 43 -29.199 -6.203 -18.105 1.00 0.00 N ATOM 0 H ARG A 43 -25.627 -4.590 -11.090 1.00 0.00 H new ATOM 0 HA ARG A 43 -28.421 -4.600 -12.071 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -26.262 -6.731 -11.967 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -27.956 -7.137 -12.160 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -26.620 -5.162 -14.023 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -26.460 -6.889 -14.281 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -29.039 -6.993 -14.133 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -29.012 -5.245 -14.255 1.00 0.00 H new ATOM 0 HE ARG A 43 -27.437 -6.458 -16.368 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -30.728 -5.740 -15.310 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -31.372 -5.703 -16.954 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -28.272 -6.409 -18.477 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -29.988 -6.081 -18.740 1.00 0.00 H new ATOM 625 N GLY A 44 -27.297 -5.141 -9.148 1.00 0.00 N ATOM 626 CA GLY A 44 -27.655 -5.464 -7.780 1.00 0.00 C ATOM 627 C GLY A 44 -27.232 -6.864 -7.385 1.00 0.00 C ATOM 628 O GLY A 44 -27.859 -7.494 -6.533 1.00 0.00 O ATOM 0 H GLY A 44 -26.418 -4.634 -9.252 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -27.190 -4.744 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -28.734 -5.365 -7.657 1.00 0.00 H new ATOM 632 N LYS A 45 -26.164 -7.355 -8.006 1.00 0.00 N ATOM 633 CA LYS A 45 -25.656 -8.691 -7.715 1.00 0.00 C ATOM 634 C LYS A 45 -24.275 -8.620 -7.072 1.00 0.00 C ATOM 635 O LYS A 45 -23.247 -8.625 -7.750 1.00 0.00 O ATOM 636 CB LYS A 45 -25.591 -9.524 -8.997 1.00 0.00 C ATOM 637 CG LYS A 45 -25.887 -10.998 -8.780 1.00 0.00 C ATOM 638 CD LYS A 45 -24.674 -11.736 -8.238 1.00 0.00 C ATOM 639 CE LYS A 45 -23.807 -12.283 -9.361 1.00 0.00 C ATOM 640 NZ LYS A 45 -24.236 -13.647 -9.779 1.00 0.00 N ATOM 0 H LYS A 45 -25.634 -6.847 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 45 -26.340 -9.168 -7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -26.302 -9.122 -9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -24.599 -9.422 -9.437 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -26.720 -11.104 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -26.198 -11.450 -9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -24.084 -11.062 -7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -25.001 -12.555 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -23.854 -11.609 -10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.767 -12.313 -9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.620 -13.985 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -24.168 -14.296 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.220 -13.614 -10.114 1.00 0.00 H new ATOM 654 N PRO A 46 -24.247 -8.552 -5.733 1.00 0.00 N ATOM 655 CA PRO A 46 -22.998 -8.481 -4.969 1.00 0.00 C ATOM 656 C PRO A 46 -22.214 -9.788 -5.018 1.00 0.00 C ATOM 657 O PRO A 46 -22.789 -10.863 -5.188 1.00 0.00 O ATOM 658 CB PRO A 46 -23.470 -8.193 -3.542 1.00 0.00 C ATOM 659 CG PRO A 46 -24.857 -8.735 -3.486 1.00 0.00 C ATOM 660 CD PRO A 46 -25.434 -8.541 -4.861 1.00 0.00 C ATOM 0 HA PRO A 46 -22.319 -7.727 -5.367 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -22.826 -8.676 -2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -23.453 -7.124 -3.327 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -24.853 -9.789 -3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -25.450 -8.211 -2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -26.131 -9.338 -5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -25.981 -7.601 -4.938 1.00 0.00 H new ATOM 668 N PHE A 47 -20.897 -9.688 -4.866 1.00 0.00 N ATOM 669 CA PHE A 47 -20.034 -10.863 -4.893 1.00 0.00 C ATOM 670 C PHE A 47 -19.273 -11.009 -3.578 1.00 0.00 C ATOM 671 O PHE A 47 -18.959 -10.019 -2.917 1.00 0.00 O ATOM 672 CB PHE A 47 -19.047 -10.771 -6.059 1.00 0.00 C ATOM 673 CG PHE A 47 -18.449 -12.093 -6.444 1.00 0.00 C ATOM 674 CD1 PHE A 47 -19.067 -12.901 -7.385 1.00 0.00 C ATOM 675 CD2 PHE A 47 -17.269 -12.530 -5.864 1.00 0.00 C ATOM 676 CE1 PHE A 47 -18.519 -14.118 -7.742 1.00 0.00 C ATOM 677 CE2 PHE A 47 -16.716 -13.746 -6.218 1.00 0.00 C ATOM 678 CZ PHE A 47 -17.342 -14.542 -7.157 1.00 0.00 C ATOM 0 H PHE A 47 -20.405 -8.806 -4.723 1.00 0.00 H new ATOM 0 HA PHE A 47 -20.664 -11.742 -5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -19.557 -10.347 -6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -18.245 -10.083 -5.792 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -19.988 -12.575 -7.845 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -16.776 -11.913 -5.127 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -19.011 -14.737 -8.478 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -15.794 -14.074 -5.760 1.00 0.00 H new ATOM 0 HZ PHE A 47 -16.912 -15.494 -7.433 1.00 0.00 H new ATOM 688 N ARG A 48 -18.979 -12.250 -3.206 1.00 0.00 N ATOM 689 CA ARG A 48 -18.257 -12.527 -1.970 1.00 0.00 C ATOM 690 C ARG A 48 -17.047 -13.418 -2.235 1.00 0.00 C ATOM 691 O ARG A 48 -16.908 -13.988 -3.317 1.00 0.00 O ATOM 692 CB ARG A 48 -19.182 -13.195 -0.952 1.00 0.00 C ATOM 693 CG ARG A 48 -19.230 -14.710 -1.074 1.00 0.00 C ATOM 694 CD ARG A 48 -19.717 -15.143 -2.448 1.00 0.00 C ATOM 695 NE ARG A 48 -21.016 -14.562 -2.776 1.00 0.00 N ATOM 696 CZ ARG A 48 -22.165 -14.999 -2.272 1.00 0.00 C ATOM 697 NH1 ARG A 48 -22.176 -16.016 -1.422 1.00 0.00 N ATOM 698 NH2 ARG A 48 -23.307 -14.418 -2.619 1.00 0.00 N ATOM 0 H ARG A 48 -19.230 -13.080 -3.743 1.00 0.00 H new ATOM 0 HA ARG A 48 -17.906 -11.578 -1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -18.854 -12.930 0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -20.190 -12.797 -1.073 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -18.238 -15.122 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.890 -15.117 -0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.987 -14.847 -3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -19.787 -16.230 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 48 -21.043 -13.778 -3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.301 -16.465 -1.153 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -23.060 -16.349 -1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -23.303 -13.635 -3.273 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -24.189 -14.754 -2.232 1.00 0.00 H new ATOM 712 N PHE A 49 -16.173 -13.532 -1.241 1.00 0.00 N ATOM 713 CA PHE A 49 -14.974 -14.352 -1.367 1.00 0.00 C ATOM 714 C PHE A 49 -14.243 -14.455 -0.031 1.00 0.00 C ATOM 715 O PHE A 49 -14.570 -13.753 0.926 1.00 0.00 O ATOM 716 CB PHE A 49 -14.040 -13.767 -2.428 1.00 0.00 C ATOM 717 CG PHE A 49 -13.574 -12.374 -2.115 1.00 0.00 C ATOM 718 CD1 PHE A 49 -14.306 -11.274 -2.533 1.00 0.00 C ATOM 719 CD2 PHE A 49 -12.404 -12.164 -1.403 1.00 0.00 C ATOM 720 CE1 PHE A 49 -13.881 -9.991 -2.246 1.00 0.00 C ATOM 721 CE2 PHE A 49 -11.974 -10.883 -1.113 1.00 0.00 C ATOM 722 CZ PHE A 49 -12.713 -9.795 -1.536 1.00 0.00 C ATOM 0 H PHE A 49 -16.273 -13.067 -0.339 1.00 0.00 H new ATOM 0 HA PHE A 49 -15.279 -15.353 -1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -13.171 -14.417 -2.534 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -14.553 -13.762 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -15.220 -11.421 -3.090 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -11.822 -13.011 -1.071 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -14.462 -9.142 -2.577 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -11.061 -10.733 -0.556 1.00 0.00 H new ATOM 0 HZ PHE A 49 -12.378 -8.793 -1.312 1.00 0.00 H new ATOM 732 N THR A 50 -13.250 -15.337 0.026 1.00 0.00 N ATOM 733 CA THR A 50 -12.473 -15.535 1.243 1.00 0.00 C ATOM 734 C THR A 50 -11.320 -14.542 1.327 1.00 0.00 C ATOM 735 O THR A 50 -10.316 -14.679 0.627 1.00 0.00 O ATOM 736 CB THR A 50 -11.909 -16.967 1.323 1.00 0.00 C ATOM 737 OG1 THR A 50 -12.946 -17.917 1.058 1.00 0.00 O ATOM 738 CG2 THR A 50 -11.306 -17.235 2.694 1.00 0.00 C ATOM 0 H THR A 50 -12.965 -15.926 -0.757 1.00 0.00 H new ATOM 0 HA THR A 50 -13.151 -15.372 2.081 1.00 0.00 H new ATOM 0 HB THR A 50 -11.125 -17.068 0.573 1.00 0.00 H new ATOM 0 HG1 THR A 50 -12.579 -18.824 1.109 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.914 -18.252 2.727 1.00 0.00 H new ATOM 0 HG22 THR A 50 -10.497 -16.528 2.880 1.00 0.00 H new ATOM 0 HG23 THR A 50 -12.074 -17.117 3.459 1.00 0.00 H new ATOM 746 N VAL A 51 -11.469 -13.540 2.189 1.00 0.00 N ATOM 747 CA VAL A 51 -10.439 -12.524 2.365 1.00 0.00 C ATOM 748 C VAL A 51 -9.150 -13.136 2.903 1.00 0.00 C ATOM 749 O VAL A 51 -9.027 -13.401 4.098 1.00 0.00 O ATOM 750 CB VAL A 51 -10.905 -11.413 3.324 1.00 0.00 C ATOM 751 CG1 VAL A 51 -9.919 -10.255 3.320 1.00 0.00 C ATOM 752 CG2 VAL A 51 -12.300 -10.937 2.949 1.00 0.00 C ATOM 0 H VAL A 51 -12.293 -13.411 2.776 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.250 -12.091 1.383 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.944 -11.822 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.265 -9.480 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.939 -10.610 3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.845 -9.844 2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -12.614 -10.152 3.637 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.290 -10.545 1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.998 -11.772 3.009 1.00 0.00 H new ATOM 762 N GLY A 52 -8.189 -13.358 2.011 1.00 0.00 N ATOM 763 CA GLY A 52 -6.921 -13.937 2.415 1.00 0.00 C ATOM 764 C GLY A 52 -6.540 -15.141 1.576 1.00 0.00 C ATOM 765 O GLY A 52 -5.388 -15.575 1.588 1.00 0.00 O ATOM 0 H GLY A 52 -8.266 -13.147 1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.139 -13.182 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.977 -14.231 3.463 1.00 0.00 H new ATOM 769 N ARG A 53 -7.510 -15.683 0.847 1.00 0.00 N ATOM 770 CA ARG A 53 -7.271 -16.846 0.001 1.00 0.00 C ATOM 771 C ARG A 53 -6.698 -16.428 -1.350 1.00 0.00 C ATOM 772 O ARG A 53 -6.487 -15.243 -1.606 1.00 0.00 O ATOM 773 CB ARG A 53 -8.570 -17.629 -0.205 1.00 0.00 C ATOM 774 CG ARG A 53 -8.938 -18.518 0.971 1.00 0.00 C ATOM 775 CD ARG A 53 -8.096 -19.784 0.997 1.00 0.00 C ATOM 776 NE ARG A 53 -8.644 -20.824 0.130 1.00 0.00 N ATOM 777 CZ ARG A 53 -9.733 -21.526 0.423 1.00 0.00 C ATOM 778 NH1 ARG A 53 -10.388 -21.300 1.554 1.00 0.00 N ATOM 779 NH2 ARG A 53 -10.171 -22.456 -0.417 1.00 0.00 N ATOM 0 H ARG A 53 -8.469 -15.335 0.825 1.00 0.00 H new ATOM 0 HA ARG A 53 -6.544 -17.485 0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.383 -16.926 -0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.475 -18.245 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.799 -17.968 1.902 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.994 -18.783 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.079 -19.549 0.683 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.036 -20.158 2.019 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.164 -21.022 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.056 -20.585 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.224 -21.841 1.776 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.671 -22.632 -1.289 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.007 -22.994 -0.191 1.00 0.00 H new ATOM 793 N GLY A 54 -6.446 -17.409 -2.210 1.00 0.00 N ATOM 794 CA GLY A 54 -5.898 -17.123 -3.523 1.00 0.00 C ATOM 795 C GLY A 54 -6.965 -17.079 -4.599 1.00 0.00 C ATOM 796 O GLY A 54 -6.662 -17.190 -5.787 1.00 0.00 O ATOM 0 H GLY A 54 -6.612 -18.398 -2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.375 -16.167 -3.495 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.160 -17.883 -3.779 1.00 0.00 H new ATOM 800 N GLU A 55 -8.217 -16.920 -4.183 1.00 0.00 N ATOM 801 CA GLU A 55 -9.332 -16.865 -5.121 1.00 0.00 C ATOM 802 C GLU A 55 -9.477 -15.466 -5.713 1.00 0.00 C ATOM 803 O GLU A 55 -10.008 -15.296 -6.811 1.00 0.00 O ATOM 804 CB GLU A 55 -10.633 -17.274 -4.427 1.00 0.00 C ATOM 805 CG GLU A 55 -10.623 -18.702 -3.908 1.00 0.00 C ATOM 806 CD GLU A 55 -10.935 -19.718 -4.990 1.00 0.00 C ATOM 807 OE1 GLU A 55 -10.005 -20.099 -5.731 1.00 0.00 O ATOM 808 OE2 GLU A 55 -12.109 -20.130 -5.096 1.00 0.00 O ATOM 0 H GLU A 55 -8.485 -16.827 -3.203 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.126 -17.564 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.820 -16.595 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.461 -17.156 -5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.645 -18.922 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.353 -18.798 -3.104 1.00 0.00 H new ATOM 815 N VAL A 56 -9.001 -14.466 -4.977 1.00 0.00 N ATOM 816 CA VAL A 56 -9.076 -13.082 -5.428 1.00 0.00 C ATOM 817 C VAL A 56 -7.684 -12.495 -5.635 1.00 0.00 C ATOM 818 O VAL A 56 -6.678 -13.185 -5.469 1.00 0.00 O ATOM 819 CB VAL A 56 -9.846 -12.205 -4.423 1.00 0.00 C ATOM 820 CG1 VAL A 56 -11.312 -12.609 -4.376 1.00 0.00 C ATOM 821 CG2 VAL A 56 -9.214 -12.298 -3.043 1.00 0.00 C ATOM 0 H VAL A 56 -8.559 -14.589 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.610 -13.088 -6.378 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.790 -11.168 -4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.840 -11.979 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.755 -12.486 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -11.392 -13.652 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.770 -11.672 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.238 -13.333 -2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.180 -11.956 -3.092 1.00 0.00 H new ATOM 831 N ILE A 57 -7.635 -11.218 -5.999 1.00 0.00 N ATOM 832 CA ILE A 57 -6.366 -10.538 -6.227 1.00 0.00 C ATOM 833 C ILE A 57 -5.894 -9.817 -4.969 1.00 0.00 C ATOM 834 O ILE A 57 -6.684 -9.543 -4.066 1.00 0.00 O ATOM 835 CB ILE A 57 -6.471 -9.521 -7.379 1.00 0.00 C ATOM 836 CG1 ILE A 57 -7.626 -8.550 -7.126 1.00 0.00 C ATOM 837 CG2 ILE A 57 -6.658 -10.241 -8.706 1.00 0.00 C ATOM 838 CD1 ILE A 57 -7.335 -7.135 -7.574 1.00 0.00 C ATOM 0 H ILE A 57 -8.459 -10.634 -6.142 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.641 -11.306 -6.496 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.544 -8.950 -7.426 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -8.514 -8.911 -7.645 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -7.859 -8.545 -6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.731 -9.509 -9.510 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.806 -10.896 -8.888 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.572 -10.835 -8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.197 -6.502 -7.364 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.466 -6.755 -7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.132 -7.127 -8.645 1.00 0.00 H new ATOM 850 N ARG A 58 -4.602 -9.511 -4.918 1.00 0.00 N ATOM 851 CA ARG A 58 -4.025 -8.822 -3.771 1.00 0.00 C ATOM 852 C ARG A 58 -4.819 -7.562 -3.437 1.00 0.00 C ATOM 853 O ARG A 58 -5.127 -7.299 -2.276 1.00 0.00 O ATOM 854 CB ARG A 58 -2.565 -8.458 -4.049 1.00 0.00 C ATOM 855 CG ARG A 58 -1.686 -9.659 -4.357 1.00 0.00 C ATOM 856 CD ARG A 58 -1.019 -10.198 -3.102 1.00 0.00 C ATOM 857 NE ARG A 58 -0.465 -11.534 -3.307 1.00 0.00 N ATOM 858 CZ ARG A 58 0.261 -12.176 -2.399 1.00 0.00 C ATOM 859 NH1 ARG A 58 0.520 -11.607 -1.230 1.00 0.00 N ATOM 860 NH2 ARG A 58 0.730 -13.389 -2.660 1.00 0.00 N ATOM 0 H ARG A 58 -3.935 -9.730 -5.658 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.068 -9.496 -2.915 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.526 -7.765 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.159 -7.934 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.288 -10.443 -4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.923 -9.376 -5.083 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.224 -9.519 -2.794 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.745 -10.227 -2.290 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.646 -11.999 -4.196 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.161 -10.674 -1.026 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.078 -12.102 -0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.533 -13.829 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.288 -13.881 -1.962 1.00 0.00 H new ATOM 874 N GLY A 59 -5.148 -6.787 -4.466 1.00 0.00 N ATOM 875 CA GLY A 59 -5.903 -5.564 -4.261 1.00 0.00 C ATOM 876 C GLY A 59 -7.135 -5.780 -3.405 1.00 0.00 C ATOM 877 O GLY A 59 -7.269 -5.184 -2.337 1.00 0.00 O ATOM 0 H GLY A 59 -4.906 -6.984 -5.437 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.262 -4.820 -3.788 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.202 -5.159 -5.228 1.00 0.00 H new ATOM 881 N TRP A 60 -8.038 -6.633 -3.875 1.00 0.00 N ATOM 882 CA TRP A 60 -9.267 -6.925 -3.146 1.00 0.00 C ATOM 883 C TRP A 60 -8.959 -7.431 -1.741 1.00 0.00 C ATOM 884 O TRP A 60 -9.602 -7.029 -0.771 1.00 0.00 O ATOM 885 CB TRP A 60 -10.100 -7.960 -3.902 1.00 0.00 C ATOM 886 CG TRP A 60 -10.966 -7.361 -4.969 1.00 0.00 C ATOM 887 CD1 TRP A 60 -10.871 -6.103 -5.491 1.00 0.00 C ATOM 888 CD2 TRP A 60 -12.058 -7.996 -5.643 1.00 0.00 C ATOM 889 NE1 TRP A 60 -11.839 -5.917 -6.448 1.00 0.00 N ATOM 890 CE2 TRP A 60 -12.580 -7.063 -6.561 1.00 0.00 C ATOM 891 CE3 TRP A 60 -12.646 -9.261 -5.562 1.00 0.00 C ATOM 892 CZ2 TRP A 60 -13.660 -7.358 -7.389 1.00 0.00 C ATOM 893 CZ3 TRP A 60 -13.718 -9.552 -6.383 1.00 0.00 C ATOM 894 CH2 TRP A 60 -14.216 -8.604 -7.288 1.00 0.00 C ATOM 0 H TRP A 60 -7.942 -7.135 -4.758 1.00 0.00 H new ATOM 0 HA TRP A 60 -9.838 -6.000 -3.063 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -9.432 -8.693 -4.355 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -10.729 -8.498 -3.193 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -10.142 -5.363 -5.195 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -11.983 -5.063 -6.987 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -12.269 -9.999 -4.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -14.045 -6.629 -8.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -14.180 -10.526 -6.327 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -15.055 -8.862 -7.918 1.00 0.00 H new ATOM 905 N ASP A 61 -7.971 -8.313 -1.638 1.00 0.00 N ATOM 906 CA ASP A 61 -7.577 -8.873 -0.350 1.00 0.00 C ATOM 907 C ASP A 61 -7.368 -7.769 0.681 1.00 0.00 C ATOM 908 O ASP A 61 -8.080 -7.700 1.683 1.00 0.00 O ATOM 909 CB ASP A 61 -6.298 -9.698 -0.498 1.00 0.00 C ATOM 910 CG ASP A 61 -6.290 -10.921 0.397 1.00 0.00 C ATOM 911 OD1 ASP A 61 -6.965 -10.891 1.447 1.00 0.00 O ATOM 912 OD2 ASP A 61 -5.609 -11.908 0.048 1.00 0.00 O ATOM 0 H ASP A 61 -7.428 -8.656 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.381 -9.522 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.189 -10.011 -1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.437 -9.073 -0.262 1.00 0.00 H new ATOM 917 N GLU A 62 -6.387 -6.908 0.429 1.00 0.00 N ATOM 918 CA GLU A 62 -6.084 -5.808 1.337 1.00 0.00 C ATOM 919 C GLU A 62 -7.249 -4.825 1.408 1.00 0.00 C ATOM 920 O GLU A 62 -7.648 -4.396 2.490 1.00 0.00 O ATOM 921 CB GLU A 62 -4.815 -5.081 0.888 1.00 0.00 C ATOM 922 CG GLU A 62 -3.532 -5.759 1.340 1.00 0.00 C ATOM 923 CD GLU A 62 -2.364 -4.796 1.427 1.00 0.00 C ATOM 924 OE1 GLU A 62 -2.603 -3.587 1.625 1.00 0.00 O ATOM 925 OE2 GLU A 62 -1.209 -5.254 1.297 1.00 0.00 O ATOM 0 H GLU A 62 -5.789 -6.951 -0.396 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.922 -6.225 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.814 -5.008 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.834 -4.062 1.276 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.692 -6.219 2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.285 -6.562 0.645 1.00 0.00 H new ATOM 932 N GLY A 63 -7.789 -4.471 0.246 1.00 0.00 N ATOM 933 CA GLY A 63 -8.902 -3.541 0.198 1.00 0.00 C ATOM 934 C GLY A 63 -10.031 -3.939 1.127 1.00 0.00 C ATOM 935 O GLY A 63 -10.361 -3.210 2.063 1.00 0.00 O ATOM 0 H GLY A 63 -7.476 -4.812 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.550 -2.544 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.279 -3.483 -0.823 1.00 0.00 H new ATOM 939 N VAL A 64 -10.627 -5.099 0.869 1.00 0.00 N ATOM 940 CA VAL A 64 -11.727 -5.592 1.690 1.00 0.00 C ATOM 941 C VAL A 64 -11.273 -5.845 3.123 1.00 0.00 C ATOM 942 O VAL A 64 -12.043 -5.676 4.068 1.00 0.00 O ATOM 943 CB VAL A 64 -12.317 -6.893 1.113 1.00 0.00 C ATOM 944 CG1 VAL A 64 -11.341 -8.046 1.289 1.00 0.00 C ATOM 945 CG2 VAL A 64 -13.652 -7.208 1.770 1.00 0.00 C ATOM 0 H VAL A 64 -10.367 -5.715 0.098 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.496 -4.819 1.687 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.487 -6.753 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.775 -8.956 0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.411 -7.818 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.136 -8.191 2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.055 -8.130 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.509 -7.329 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.350 -6.391 1.587 1.00 0.00 H new ATOM 955 N ALA A 65 -10.016 -6.250 3.277 1.00 0.00 N ATOM 956 CA ALA A 65 -9.458 -6.524 4.596 1.00 0.00 C ATOM 957 C ALA A 65 -9.561 -5.300 5.500 1.00 0.00 C ATOM 958 O ALA A 65 -9.860 -5.418 6.687 1.00 0.00 O ATOM 959 CB ALA A 65 -8.010 -6.972 4.473 1.00 0.00 C ATOM 0 H ALA A 65 -9.365 -6.395 2.505 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.038 -7.328 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.606 -7.173 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.960 -7.879 3.870 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.425 -6.186 3.996 1.00 0.00 H new ATOM 965 N GLN A 66 -9.309 -4.126 4.930 1.00 0.00 N ATOM 966 CA GLN A 66 -9.371 -2.881 5.686 1.00 0.00 C ATOM 967 C GLN A 66 -10.716 -2.189 5.485 1.00 0.00 C ATOM 968 O GLN A 66 -10.830 -0.975 5.648 1.00 0.00 O ATOM 969 CB GLN A 66 -8.236 -1.947 5.265 1.00 0.00 C ATOM 970 CG GLN A 66 -6.864 -2.600 5.306 1.00 0.00 C ATOM 971 CD GLN A 66 -5.801 -1.769 4.614 1.00 0.00 C ATOM 972 OE1 GLN A 66 -4.998 -1.100 5.265 1.00 0.00 O ATOM 973 NE2 GLN A 66 -5.790 -1.808 3.287 1.00 0.00 N ATOM 0 H GLN A 66 -9.060 -4.011 3.948 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.261 -3.121 6.743 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.428 -1.588 4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -8.234 -1.074 5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.574 -2.762 6.344 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -6.918 -3.581 4.833 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.474 -2.376 2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.097 -1.270 2.767 1.00 0.00 H new ATOM 982 N MET A 67 -11.730 -2.970 5.129 1.00 0.00 N ATOM 983 CA MET A 67 -13.067 -2.432 4.907 1.00 0.00 C ATOM 984 C MET A 67 -14.024 -2.880 6.007 1.00 0.00 C ATOM 985 O MET A 67 -13.781 -3.879 6.685 1.00 0.00 O ATOM 986 CB MET A 67 -13.598 -2.874 3.542 1.00 0.00 C ATOM 987 CG MET A 67 -13.014 -2.089 2.379 1.00 0.00 C ATOM 988 SD MET A 67 -14.042 -0.688 1.900 1.00 0.00 S ATOM 989 CE MET A 67 -15.489 -1.531 1.265 1.00 0.00 C ATOM 0 H MET A 67 -11.652 -3.977 4.988 1.00 0.00 H new ATOM 0 HA MET A 67 -13.001 -1.344 4.929 1.00 0.00 H new ATOM 0 HB2 MET A 67 -13.379 -3.932 3.402 1.00 0.00 H new ATOM 0 HB3 MET A 67 -14.683 -2.769 3.532 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.021 -1.730 2.650 1.00 0.00 H new ATOM 0 HG3 MET A 67 -12.890 -2.753 1.523 1.00 0.00 H new ATOM 0 HE1 MET A 67 -16.149 -0.809 0.784 1.00 0.00 H new ATOM 0 HE2 MET A 67 -15.182 -2.283 0.538 1.00 0.00 H new ATOM 0 HE3 MET A 67 -16.018 -2.015 2.086 1.00 0.00 H new ATOM 999 N SER A 68 -15.111 -2.136 6.180 1.00 0.00 N ATOM 1000 CA SER A 68 -16.102 -2.455 7.201 1.00 0.00 C ATOM 1001 C SER A 68 -17.485 -2.630 6.581 1.00 0.00 C ATOM 1002 O SER A 68 -17.821 -1.978 5.592 1.00 0.00 O ATOM 1003 CB SER A 68 -16.142 -1.355 8.264 1.00 0.00 C ATOM 1004 OG SER A 68 -16.225 -0.072 7.667 1.00 0.00 O ATOM 0 H SER A 68 -15.328 -1.308 5.626 1.00 0.00 H new ATOM 0 HA SER A 68 -15.813 -3.395 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.998 -1.510 8.921 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.249 -1.413 8.886 1.00 0.00 H new ATOM 0 HG SER A 68 -15.349 0.178 7.306 1.00 0.00 H new ATOM 1010 N VAL A 69 -18.283 -3.515 7.170 1.00 0.00 N ATOM 1011 CA VAL A 69 -19.630 -3.776 6.677 1.00 0.00 C ATOM 1012 C VAL A 69 -20.419 -2.481 6.521 1.00 0.00 C ATOM 1013 O VAL A 69 -20.514 -1.684 7.453 1.00 0.00 O ATOM 1014 CB VAL A 69 -20.398 -4.722 7.618 1.00 0.00 C ATOM 1015 CG1 VAL A 69 -21.819 -4.935 7.118 1.00 0.00 C ATOM 1016 CG2 VAL A 69 -19.667 -6.050 7.752 1.00 0.00 C ATOM 0 H VAL A 69 -18.020 -4.063 7.989 1.00 0.00 H new ATOM 0 HA VAL A 69 -19.524 -4.252 5.702 1.00 0.00 H new ATOM 0 HB VAL A 69 -20.450 -4.261 8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -22.346 -5.606 7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -22.338 -3.977 7.079 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -21.792 -5.374 6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -20.224 -6.706 8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -19.582 -6.519 6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -18.671 -5.878 8.160 1.00 0.00 H new ATOM 1026 N GLY A 70 -20.985 -2.278 5.335 1.00 0.00 N ATOM 1027 CA GLY A 70 -21.759 -1.078 5.078 1.00 0.00 C ATOM 1028 C GLY A 70 -20.887 0.111 4.725 1.00 0.00 C ATOM 1029 O GLY A 70 -21.364 1.243 4.670 1.00 0.00 O ATOM 0 H GLY A 70 -20.921 -2.923 4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.457 -1.267 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -22.355 -0.839 5.959 1.00 0.00 H new ATOM 1033 N GLN A 71 -19.605 -0.148 4.488 1.00 0.00 N ATOM 1034 CA GLN A 71 -18.664 0.911 4.142 1.00 0.00 C ATOM 1035 C GLN A 71 -18.265 0.826 2.672 1.00 0.00 C ATOM 1036 O GLN A 71 -17.970 -0.255 2.161 1.00 0.00 O ATOM 1037 CB GLN A 71 -17.418 0.825 5.026 1.00 0.00 C ATOM 1038 CG GLN A 71 -16.683 2.147 5.172 1.00 0.00 C ATOM 1039 CD GLN A 71 -15.179 1.973 5.245 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -14.616 1.788 6.324 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -14.519 2.033 4.094 1.00 0.00 N ATOM 0 H GLN A 71 -19.194 -1.081 4.529 1.00 0.00 H new ATOM 0 HA GLN A 71 -19.156 1.869 4.312 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -17.708 0.469 6.015 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -16.736 0.084 4.608 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.930 2.791 4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -17.030 2.654 6.072 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -15.026 2.188 3.223 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.505 1.924 4.081 1.00 0.00 H new ATOM 1050 N ARG A 72 -18.259 1.971 1.999 1.00 0.00 N ATOM 1051 CA ARG A 72 -17.899 2.026 0.587 1.00 0.00 C ATOM 1052 C ARG A 72 -16.673 2.909 0.372 1.00 0.00 C ATOM 1053 O ARG A 72 -16.575 3.999 0.935 1.00 0.00 O ATOM 1054 CB ARG A 72 -19.072 2.553 -0.241 1.00 0.00 C ATOM 1055 CG ARG A 72 -18.734 2.770 -1.707 1.00 0.00 C ATOM 1056 CD ARG A 72 -19.932 2.493 -2.602 1.00 0.00 C ATOM 1057 NE ARG A 72 -20.090 3.512 -3.636 1.00 0.00 N ATOM 1058 CZ ARG A 72 -20.443 4.767 -3.383 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -20.673 5.156 -2.136 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -20.566 5.637 -4.378 1.00 0.00 N ATOM 0 H ARG A 72 -18.499 2.874 2.408 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.659 1.014 0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -19.902 1.850 -0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.414 3.495 0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -18.397 3.796 -1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -17.908 2.118 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -19.816 1.516 -3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -20.836 2.450 -1.995 1.00 0.00 H new ATOM 0 HE ARG A 72 -19.920 3.245 -4.606 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.579 4.491 -1.369 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -20.944 6.121 -1.944 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.389 5.342 -5.338 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -20.837 6.601 -4.182 1.00 0.00 H new ATOM 1074 N ALA A 73 -15.741 2.430 -0.445 1.00 0.00 N ATOM 1075 CA ALA A 73 -14.523 3.177 -0.735 1.00 0.00 C ATOM 1076 C ALA A 73 -13.922 2.750 -2.069 1.00 0.00 C ATOM 1077 O ALA A 73 -14.296 1.719 -2.630 1.00 0.00 O ATOM 1078 CB ALA A 73 -13.510 2.991 0.386 1.00 0.00 C ATOM 0 H ALA A 73 -15.806 1.528 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 73 -14.782 4.233 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.606 3.554 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.934 3.352 1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.264 1.933 0.482 1.00 0.00 H new ATOM 1084 N LYS A 74 -12.988 3.549 -2.575 1.00 0.00 N ATOM 1085 CA LYS A 74 -12.334 3.254 -3.845 1.00 0.00 C ATOM 1086 C LYS A 74 -11.036 2.485 -3.622 1.00 0.00 C ATOM 1087 O LYS A 74 -10.197 2.883 -2.813 1.00 0.00 O ATOM 1088 CB LYS A 74 -12.048 4.549 -4.607 1.00 0.00 C ATOM 1089 CG LYS A 74 -13.098 5.626 -4.394 1.00 0.00 C ATOM 1090 CD LYS A 74 -12.763 6.892 -5.164 1.00 0.00 C ATOM 1091 CE LYS A 74 -13.042 6.730 -6.651 1.00 0.00 C ATOM 1092 NZ LYS A 74 -12.684 7.955 -7.419 1.00 0.00 N ATOM 0 H LYS A 74 -12.667 4.406 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 74 -13.007 2.633 -4.437 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.076 4.935 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.979 4.326 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -14.072 5.253 -4.711 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.175 5.855 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.348 7.724 -4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.713 7.143 -5.015 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.477 5.882 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -14.098 6.504 -6.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.889 7.805 -8.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.242 8.760 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.671 8.157 -7.298 1.00 0.00 H new ATOM 1106 N LEU A 75 -10.876 1.382 -4.346 1.00 0.00 N ATOM 1107 CA LEU A 75 -9.678 0.558 -4.228 1.00 0.00 C ATOM 1108 C LEU A 75 -8.750 0.773 -5.420 1.00 0.00 C ATOM 1109 O LEU A 75 -8.914 0.150 -6.469 1.00 0.00 O ATOM 1110 CB LEU A 75 -10.060 -0.920 -4.125 1.00 0.00 C ATOM 1111 CG LEU A 75 -8.967 -1.862 -3.620 1.00 0.00 C ATOM 1112 CD1 LEU A 75 -8.520 -1.461 -2.222 1.00 0.00 C ATOM 1113 CD2 LEU A 75 -9.456 -3.303 -3.633 1.00 0.00 C ATOM 0 H LEU A 75 -11.560 1.038 -5.020 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.150 0.855 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.921 -1.007 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -10.380 -1.261 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.110 -1.784 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.742 -2.143 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.128 -0.444 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.370 -1.508 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.665 -3.959 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.329 -3.397 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.725 -3.587 -4.650 1.00 0.00 H new ATOM 1125 N VAL A 76 -7.773 1.658 -5.250 1.00 0.00 N ATOM 1126 CA VAL A 76 -6.816 1.953 -6.310 1.00 0.00 C ATOM 1127 C VAL A 76 -5.480 1.265 -6.052 1.00 0.00 C ATOM 1128 O VAL A 76 -4.688 1.716 -5.224 1.00 0.00 O ATOM 1129 CB VAL A 76 -6.581 3.469 -6.448 1.00 0.00 C ATOM 1130 CG1 VAL A 76 -6.270 4.087 -5.094 1.00 0.00 C ATOM 1131 CG2 VAL A 76 -5.462 3.746 -7.440 1.00 0.00 C ATOM 0 H VAL A 76 -7.623 2.183 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.244 1.573 -7.237 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.494 3.928 -6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.107 5.158 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.107 3.920 -4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.372 3.627 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.309 4.822 -7.525 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.542 3.276 -7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.731 3.339 -8.415 1.00 0.00 H new ATOM 1141 N CYS A 77 -5.237 0.171 -6.765 1.00 0.00 N ATOM 1142 CA CYS A 77 -3.997 -0.581 -6.614 1.00 0.00 C ATOM 1143 C CYS A 77 -3.317 -0.786 -7.963 1.00 0.00 C ATOM 1144 O CYS A 77 -3.940 -0.632 -9.014 1.00 0.00 O ATOM 1145 CB CYS A 77 -4.273 -1.934 -5.957 1.00 0.00 C ATOM 1146 SG CYS A 77 -5.573 -2.895 -6.766 1.00 0.00 S ATOM 0 H CYS A 77 -5.883 -0.215 -7.454 1.00 0.00 H new ATOM 0 HA CYS A 77 -3.328 -0.005 -5.975 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.353 -2.518 -5.953 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.551 -1.770 -4.916 1.00 0.00 H new ATOM 0 HG CYS A 77 -5.145 -4.102 -6.990 1.00 0.00 H new ATOM 1152 N SER A 78 -2.034 -1.133 -7.928 1.00 0.00 N ATOM 1153 CA SER A 78 -1.268 -1.355 -9.148 1.00 0.00 C ATOM 1154 C SER A 78 -1.740 -2.616 -9.865 1.00 0.00 C ATOM 1155 O SER A 78 -2.462 -3.443 -9.309 1.00 0.00 O ATOM 1156 CB SER A 78 0.224 -1.466 -8.826 1.00 0.00 C ATOM 1157 OG SER A 78 0.946 -0.377 -9.375 1.00 0.00 O ATOM 0 H SER A 78 -1.503 -1.266 -7.067 1.00 0.00 H new ATOM 0 HA SER A 78 -1.428 -0.502 -9.807 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.365 -1.492 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.616 -2.403 -9.222 1.00 0.00 H new ATOM 0 HG SER A 78 1.896 -0.470 -9.154 1.00 0.00 H new ATOM 1163 N PRO A 79 -1.323 -2.767 -11.131 1.00 0.00 N ATOM 1164 CA PRO A 79 -1.691 -3.924 -11.952 1.00 0.00 C ATOM 1165 C PRO A 79 -1.022 -5.209 -11.475 1.00 0.00 C ATOM 1166 O PRO A 79 -1.552 -6.304 -11.667 1.00 0.00 O ATOM 1167 CB PRO A 79 -1.186 -3.545 -13.347 1.00 0.00 C ATOM 1168 CG PRO A 79 -0.078 -2.579 -13.098 1.00 0.00 C ATOM 1169 CD PRO A 79 -0.461 -1.820 -11.858 1.00 0.00 C ATOM 0 HA PRO A 79 -2.761 -4.128 -11.912 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -0.833 -4.421 -13.892 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -1.977 -3.094 -13.946 1.00 0.00 H new ATOM 0 HG2 PRO A 79 0.870 -3.099 -12.960 1.00 0.00 H new ATOM 0 HG3 PRO A 79 0.049 -1.904 -13.945 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.414 -1.541 -11.271 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -0.990 -0.898 -12.099 1.00 0.00 H new ATOM 1177 N ASP A 80 0.143 -5.069 -10.853 1.00 0.00 N ATOM 1178 CA ASP A 80 0.883 -6.219 -10.347 1.00 0.00 C ATOM 1179 C ASP A 80 0.096 -6.932 -9.251 1.00 0.00 C ATOM 1180 O ASP A 80 0.300 -8.120 -8.999 1.00 0.00 O ATOM 1181 CB ASP A 80 2.246 -5.779 -9.809 1.00 0.00 C ATOM 1182 CG ASP A 80 3.281 -5.633 -10.907 1.00 0.00 C ATOM 1183 OD1 ASP A 80 3.077 -6.210 -11.996 1.00 0.00 O ATOM 1184 OD2 ASP A 80 4.295 -4.942 -10.678 1.00 0.00 O ATOM 0 H ASP A 80 0.596 -4.170 -10.687 1.00 0.00 H new ATOM 0 HA ASP A 80 1.034 -6.915 -11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.138 -4.828 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.597 -6.507 -9.077 1.00 0.00 H new ATOM 1189 N TYR A 81 -0.801 -6.199 -8.602 1.00 0.00 N ATOM 1190 CA TYR A 81 -1.616 -6.760 -7.531 1.00 0.00 C ATOM 1191 C TYR A 81 -3.053 -6.976 -7.996 1.00 0.00 C ATOM 1192 O TYR A 81 -3.950 -7.214 -7.187 1.00 0.00 O ATOM 1193 CB TYR A 81 -1.596 -5.838 -6.310 1.00 0.00 C ATOM 1194 CG TYR A 81 -0.442 -6.103 -5.370 1.00 0.00 C ATOM 1195 CD1 TYR A 81 0.798 -6.498 -5.856 1.00 0.00 C ATOM 1196 CD2 TYR A 81 -0.591 -5.955 -3.997 1.00 0.00 C ATOM 1197 CE1 TYR A 81 1.855 -6.742 -5.000 1.00 0.00 C ATOM 1198 CE2 TYR A 81 0.461 -6.195 -3.134 1.00 0.00 C ATOM 1199 CZ TYR A 81 1.682 -6.589 -3.641 1.00 0.00 C ATOM 1200 OH TYR A 81 2.733 -6.829 -2.785 1.00 0.00 O ATOM 0 H TYR A 81 -0.982 -5.215 -8.799 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.194 -7.726 -7.255 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.548 -4.803 -6.648 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.532 -5.952 -5.764 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.938 -6.616 -6.920 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -1.546 -5.647 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.812 -7.051 -5.394 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.328 -6.075 -2.069 1.00 0.00 H new ATOM 0 HH TYR A 81 2.444 -6.674 -1.861 1.00 0.00 H new ATOM 1210 N ALA A 82 -3.263 -6.893 -9.305 1.00 0.00 N ATOM 1211 CA ALA A 82 -4.590 -7.082 -9.880 1.00 0.00 C ATOM 1212 C ALA A 82 -4.511 -7.826 -11.208 1.00 0.00 C ATOM 1213 O ALA A 82 -3.492 -8.437 -11.530 1.00 0.00 O ATOM 1214 CB ALA A 82 -5.281 -5.740 -10.064 1.00 0.00 C ATOM 0 H ALA A 82 -2.532 -6.696 -9.988 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.176 -7.688 -9.189 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.270 -5.896 -10.494 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.379 -5.246 -9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.689 -5.115 -10.733 1.00 0.00 H new ATOM 1220 N TYR A 83 -5.594 -7.771 -11.976 1.00 0.00 N ATOM 1221 CA TYR A 83 -5.649 -8.443 -13.269 1.00 0.00 C ATOM 1222 C TYR A 83 -4.935 -7.624 -14.340 1.00 0.00 C ATOM 1223 O TYR A 83 -4.868 -8.023 -15.501 1.00 0.00 O ATOM 1224 CB TYR A 83 -7.102 -8.685 -13.681 1.00 0.00 C ATOM 1225 CG TYR A 83 -8.025 -8.955 -12.514 1.00 0.00 C ATOM 1226 CD1 TYR A 83 -8.122 -10.226 -11.960 1.00 0.00 C ATOM 1227 CD2 TYR A 83 -8.799 -7.941 -11.965 1.00 0.00 C ATOM 1228 CE1 TYR A 83 -8.965 -10.478 -10.894 1.00 0.00 C ATOM 1229 CE2 TYR A 83 -9.643 -8.183 -10.899 1.00 0.00 C ATOM 1230 CZ TYR A 83 -9.722 -9.453 -10.367 1.00 0.00 C ATOM 1231 OH TYR A 83 -10.563 -9.699 -9.305 1.00 0.00 O ATOM 0 H TYR A 83 -6.445 -7.268 -11.725 1.00 0.00 H new ATOM 0 HA TYR A 83 -5.141 -9.403 -13.172 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.466 -7.815 -14.227 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.140 -9.531 -14.367 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.529 -11.030 -12.369 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.740 -6.945 -12.379 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.030 -11.472 -10.476 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -10.238 -7.382 -10.484 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.023 -8.871 -9.053 1.00 0.00 H new ATOM 1241 N GLY A 84 -4.402 -6.474 -13.938 1.00 0.00 N ATOM 1242 CA GLY A 84 -3.699 -5.615 -14.873 1.00 0.00 C ATOM 1243 C GLY A 84 -2.662 -6.367 -15.684 1.00 0.00 C ATOM 1244 O GLY A 84 -2.369 -6.001 -16.822 1.00 0.00 O ATOM 0 H GLY A 84 -4.445 -6.122 -12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.419 -5.153 -15.549 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.212 -4.808 -14.325 1.00 0.00 H new ATOM 1248 N SER A 85 -2.103 -7.420 -15.096 1.00 0.00 N ATOM 1249 CA SER A 85 -1.088 -8.222 -15.769 1.00 0.00 C ATOM 1250 C SER A 85 -1.560 -8.641 -17.158 1.00 0.00 C ATOM 1251 O SER A 85 -1.064 -8.145 -18.170 1.00 0.00 O ATOM 1252 CB SER A 85 -0.752 -9.461 -14.937 1.00 0.00 C ATOM 1253 OG SER A 85 -0.159 -9.100 -13.701 1.00 0.00 O ATOM 0 H SER A 85 -2.336 -7.738 -14.155 1.00 0.00 H new ATOM 0 HA SER A 85 -0.191 -7.612 -15.877 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.659 -10.037 -14.754 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.073 -10.105 -15.496 1.00 0.00 H new ATOM 0 HG SER A 85 0.045 -9.909 -13.187 1.00 0.00 H new ATOM 1259 N ARG A 86 -2.521 -9.558 -17.198 1.00 0.00 N ATOM 1260 CA ARG A 86 -3.060 -10.045 -18.462 1.00 0.00 C ATOM 1261 C ARG A 86 -3.603 -8.893 -19.302 1.00 0.00 C ATOM 1262 O ARG A 86 -3.155 -8.666 -20.425 1.00 0.00 O ATOM 1263 CB ARG A 86 -4.166 -11.071 -18.207 1.00 0.00 C ATOM 1264 CG ARG A 86 -5.065 -11.308 -19.410 1.00 0.00 C ATOM 1265 CD ARG A 86 -4.258 -11.682 -20.643 1.00 0.00 C ATOM 1266 NE ARG A 86 -3.478 -12.899 -20.438 1.00 0.00 N ATOM 1267 CZ ARG A 86 -2.611 -13.375 -21.325 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -2.415 -12.740 -22.472 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -1.938 -14.489 -21.066 1.00 0.00 N ATOM 0 H ARG A 86 -2.942 -9.979 -16.370 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.250 -10.523 -19.014 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.712 -12.017 -17.911 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.776 -10.735 -17.369 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.775 -12.103 -19.184 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.647 -10.409 -19.613 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.932 -11.821 -21.489 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.588 -10.861 -20.901 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.606 -13.412 -19.566 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.930 -11.884 -22.675 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.749 -13.108 -23.151 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.086 -14.981 -20.185 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.273 -14.853 -21.748 1.00 0.00 H new ATOM 1283 N GLY A 87 -4.570 -8.168 -18.749 1.00 0.00 N ATOM 1284 CA GLY A 87 -5.159 -7.049 -19.461 1.00 0.00 C ATOM 1285 C GLY A 87 -5.941 -7.487 -20.683 1.00 0.00 C ATOM 1286 O GLY A 87 -5.555 -8.432 -21.372 1.00 0.00 O ATOM 0 H GLY A 87 -4.956 -8.336 -17.820 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.819 -6.501 -18.788 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.371 -6.360 -19.765 1.00 0.00 H new ATOM 1290 N HIS A 88 -7.047 -6.799 -20.954 1.00 0.00 N ATOM 1291 CA HIS A 88 -7.887 -7.123 -22.101 1.00 0.00 C ATOM 1292 C HIS A 88 -8.336 -5.855 -22.821 1.00 0.00 C ATOM 1293 O HIS A 88 -8.364 -4.765 -22.250 1.00 0.00 O ATOM 1294 CB HIS A 88 -9.107 -7.929 -21.655 1.00 0.00 C ATOM 1295 CG HIS A 88 -8.885 -9.410 -21.674 1.00 0.00 C ATOM 1296 ND1 HIS A 88 -8.356 -10.079 -22.758 1.00 0.00 N ATOM 1297 CD2 HIS A 88 -9.124 -10.353 -20.733 1.00 0.00 C ATOM 1298 CE1 HIS A 88 -8.280 -11.368 -22.483 1.00 0.00 C ATOM 1299 NE2 HIS A 88 -8.739 -11.562 -21.260 1.00 0.00 N ATOM 0 H HIS A 88 -7.381 -6.014 -20.395 1.00 0.00 H new ATOM 0 HA HIS A 88 -7.297 -7.724 -22.794 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.385 -7.624 -20.646 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -9.949 -7.688 -22.304 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -9.540 -10.186 -19.750 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.906 -12.134 -23.146 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -8.798 -12.462 -20.784 1.00 0.00 H new ATOM 1307 N PRO A 89 -8.694 -5.998 -24.106 1.00 0.00 N ATOM 1308 CA PRO A 89 -9.148 -4.875 -24.931 1.00 0.00 C ATOM 1309 C PRO A 89 -10.518 -4.358 -24.504 1.00 0.00 C ATOM 1310 O PRO A 89 -11.516 -5.072 -24.591 1.00 0.00 O ATOM 1311 CB PRO A 89 -9.217 -5.473 -26.338 1.00 0.00 C ATOM 1312 CG PRO A 89 -9.420 -6.933 -26.119 1.00 0.00 C ATOM 1313 CD PRO A 89 -8.685 -7.268 -24.851 1.00 0.00 C ATOM 0 HA PRO A 89 -8.482 -4.016 -24.851 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -10.037 -5.041 -26.912 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.301 -5.280 -26.896 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -10.480 -7.170 -26.030 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -9.033 -7.511 -26.958 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -9.183 -8.063 -24.296 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.669 -7.608 -25.053 1.00 0.00 H new ATOM 1321 N GLY A 90 -10.558 -3.111 -24.043 1.00 0.00 N ATOM 1322 CA GLY A 90 -11.810 -2.520 -23.611 1.00 0.00 C ATOM 1323 C GLY A 90 -12.250 -3.025 -22.251 1.00 0.00 C ATOM 1324 O GLY A 90 -13.375 -2.770 -21.820 1.00 0.00 O ATOM 0 H GLY A 90 -9.745 -2.500 -23.961 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -11.703 -1.436 -23.576 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.585 -2.740 -24.345 1.00 0.00 H new ATOM 1328 N VAL A 91 -11.362 -3.746 -21.573 1.00 0.00 N ATOM 1329 CA VAL A 91 -11.665 -4.289 -20.254 1.00 0.00 C ATOM 1330 C VAL A 91 -10.606 -3.883 -19.236 1.00 0.00 C ATOM 1331 O VAL A 91 -10.921 -3.315 -18.190 1.00 0.00 O ATOM 1332 CB VAL A 91 -11.765 -5.826 -20.290 1.00 0.00 C ATOM 1333 CG1 VAL A 91 -12.263 -6.360 -18.955 1.00 0.00 C ATOM 1334 CG2 VAL A 91 -12.673 -6.274 -21.425 1.00 0.00 C ATOM 0 H VAL A 91 -10.427 -3.967 -21.916 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.629 -3.876 -19.955 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.770 -6.234 -20.469 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.327 -7.447 -18.999 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.570 -6.069 -18.165 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.249 -5.947 -18.743 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.732 -7.362 -21.436 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.670 -5.858 -21.279 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.269 -5.923 -22.375 1.00 0.00 H new ATOM 1344 N ILE A 92 -9.349 -4.178 -19.549 1.00 0.00 N ATOM 1345 CA ILE A 92 -8.242 -3.841 -18.662 1.00 0.00 C ATOM 1346 C ILE A 92 -6.989 -3.488 -19.456 1.00 0.00 C ATOM 1347 O ILE A 92 -6.612 -4.174 -20.406 1.00 0.00 O ATOM 1348 CB ILE A 92 -7.918 -5.001 -17.702 1.00 0.00 C ATOM 1349 CG1 ILE A 92 -9.149 -5.358 -16.865 1.00 0.00 C ATOM 1350 CG2 ILE A 92 -6.748 -4.632 -16.802 1.00 0.00 C ATOM 1351 CD1 ILE A 92 -8.912 -6.498 -15.899 1.00 0.00 C ATOM 0 H ILE A 92 -9.071 -4.650 -20.410 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.556 -2.975 -18.080 1.00 0.00 H new ATOM 0 HB ILE A 92 -7.637 -5.874 -18.291 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.466 -4.478 -16.305 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.969 -5.623 -17.533 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.531 -5.462 -16.129 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.871 -4.422 -17.414 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.003 -3.748 -16.218 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.826 -6.697 -15.339 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.625 -7.391 -16.454 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.114 -6.229 -15.207 1.00 0.00 H new ATOM 1363 N PRO A 93 -6.325 -2.393 -19.057 1.00 0.00 N ATOM 1364 CA PRO A 93 -5.102 -1.925 -19.716 1.00 0.00 C ATOM 1365 C PRO A 93 -3.918 -2.853 -19.468 1.00 0.00 C ATOM 1366 O PRO A 93 -3.899 -3.633 -18.515 1.00 0.00 O ATOM 1367 CB PRO A 93 -4.854 -0.558 -19.073 1.00 0.00 C ATOM 1368 CG PRO A 93 -5.519 -0.639 -17.742 1.00 0.00 C ATOM 1369 CD PRO A 93 -6.716 -1.528 -17.931 1.00 0.00 C ATOM 0 HA PRO A 93 -5.212 -1.888 -20.800 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.788 -0.356 -18.971 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.274 0.246 -19.677 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.843 -1.049 -16.992 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.818 0.350 -17.394 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.931 -2.109 -17.034 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.612 -0.952 -18.160 1.00 0.00 H new ATOM 1377 N PRO A 94 -2.905 -2.768 -20.343 1.00 0.00 N ATOM 1378 CA PRO A 94 -1.698 -3.593 -20.238 1.00 0.00 C ATOM 1379 C PRO A 94 -0.830 -3.202 -19.046 1.00 0.00 C ATOM 1380 O PRO A 94 -0.101 -2.213 -19.096 1.00 0.00 O ATOM 1381 CB PRO A 94 -0.961 -3.312 -21.550 1.00 0.00 C ATOM 1382 CG PRO A 94 -1.435 -1.963 -21.969 1.00 0.00 C ATOM 1383 CD PRO A 94 -2.860 -1.860 -21.501 1.00 0.00 C ATOM 0 HA PRO A 94 -1.936 -4.645 -20.083 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.120 -3.325 -21.408 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.193 -4.065 -22.303 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.821 -1.179 -21.526 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.370 -1.845 -23.051 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.118 -0.839 -21.221 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.561 -2.165 -22.278 1.00 0.00 H new ATOM 1391 N ASN A 95 -0.914 -3.987 -17.977 1.00 0.00 N ATOM 1392 CA ASN A 95 -0.136 -3.722 -16.772 1.00 0.00 C ATOM 1393 C ASN A 95 -0.239 -2.254 -16.369 1.00 0.00 C ATOM 1394 O ASN A 95 0.764 -1.546 -16.306 1.00 0.00 O ATOM 1395 CB ASN A 95 1.330 -4.100 -16.993 1.00 0.00 C ATOM 1396 CG ASN A 95 1.483 -5.390 -17.775 1.00 0.00 C ATOM 1397 OD1 ASN A 95 1.524 -6.477 -17.199 1.00 0.00 O ATOM 1398 ND2 ASN A 95 1.568 -5.275 -19.096 1.00 0.00 N ATOM 0 H ASN A 95 -1.512 -4.811 -17.920 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.544 -4.331 -15.965 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.834 -3.294 -17.526 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.825 -4.203 -16.028 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.672 -6.108 -19.675 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.529 -4.353 -19.531 1.00 0.00 H new ATOM 1405 N ALA A 96 -1.461 -1.806 -16.097 1.00 0.00 N ATOM 1406 CA ALA A 96 -1.695 -0.424 -15.698 1.00 0.00 C ATOM 1407 C ALA A 96 -2.511 -0.355 -14.411 1.00 0.00 C ATOM 1408 O ALA A 96 -3.316 -1.242 -14.125 1.00 0.00 O ATOM 1409 CB ALA A 96 -2.399 0.336 -16.813 1.00 0.00 C ATOM 0 H ALA A 96 -2.303 -2.380 -16.146 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.728 0.042 -15.510 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.567 1.367 -16.501 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.778 0.325 -17.709 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.356 -0.139 -17.029 1.00 0.00 H new ATOM 1415 N THR A 97 -2.299 0.705 -13.637 1.00 0.00 N ATOM 1416 CA THR A 97 -3.013 0.888 -12.380 1.00 0.00 C ATOM 1417 C THR A 97 -4.522 0.830 -12.591 1.00 0.00 C ATOM 1418 O THR A 97 -5.032 1.268 -13.623 1.00 0.00 O ATOM 1419 CB THR A 97 -2.650 2.231 -11.719 1.00 0.00 C ATOM 1420 OG1 THR A 97 -1.269 2.533 -11.947 1.00 0.00 O ATOM 1421 CG2 THR A 97 -2.925 2.190 -10.223 1.00 0.00 C ATOM 0 H THR A 97 -1.638 1.450 -13.859 1.00 0.00 H new ATOM 0 HA THR A 97 -2.709 0.073 -11.722 1.00 0.00 H new ATOM 0 HB THR A 97 -3.270 3.009 -12.165 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.047 3.389 -11.525 1.00 0.00 H new ATOM 0 HG21 THR A 97 -2.661 3.149 -9.778 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.983 1.990 -10.053 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.328 1.401 -9.765 1.00 0.00 H new ATOM 1429 N LEU A 98 -5.231 0.288 -11.608 1.00 0.00 N ATOM 1430 CA LEU A 98 -6.684 0.173 -11.686 1.00 0.00 C ATOM 1431 C LEU A 98 -7.335 0.604 -10.376 1.00 0.00 C ATOM 1432 O LEU A 98 -6.755 0.450 -9.301 1.00 0.00 O ATOM 1433 CB LEU A 98 -7.084 -1.266 -12.019 1.00 0.00 C ATOM 1434 CG LEU A 98 -6.327 -1.923 -13.173 1.00 0.00 C ATOM 1435 CD1 LEU A 98 -6.568 -3.425 -13.183 1.00 0.00 C ATOM 1436 CD2 LEU A 98 -6.740 -1.306 -14.502 1.00 0.00 C ATOM 0 H LEU A 98 -4.824 -0.079 -10.747 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.035 0.834 -12.479 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.946 -1.876 -11.126 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.148 -1.281 -12.254 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.261 -1.748 -13.029 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.021 -3.876 -14.011 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.222 -3.855 -12.243 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.633 -3.622 -13.302 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.191 -1.786 -15.312 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.810 -1.450 -14.653 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.515 -0.239 -14.493 1.00 0.00 H new ATOM 1448 N THR A 99 -8.546 1.143 -10.473 1.00 0.00 N ATOM 1449 CA THR A 99 -9.278 1.595 -9.296 1.00 0.00 C ATOM 1450 C THR A 99 -10.689 1.019 -9.271 1.00 0.00 C ATOM 1451 O THR A 99 -11.580 1.502 -9.970 1.00 0.00 O ATOM 1452 CB THR A 99 -9.362 3.132 -9.243 1.00 0.00 C ATOM 1453 OG1 THR A 99 -8.045 3.696 -9.264 1.00 0.00 O ATOM 1454 CG2 THR A 99 -10.096 3.592 -7.992 1.00 0.00 C ATOM 0 H THR A 99 -9.041 1.277 -11.355 1.00 0.00 H new ATOM 0 HA THR A 99 -8.728 1.238 -8.425 1.00 0.00 H new ATOM 0 HB THR A 99 -9.917 3.473 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.107 4.673 -9.232 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.142 4.681 -7.977 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.107 3.186 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.565 3.239 -7.108 1.00 0.00 H new ATOM 1462 N PHE A 100 -10.887 -0.015 -8.460 1.00 0.00 N ATOM 1463 CA PHE A 100 -12.191 -0.657 -8.344 1.00 0.00 C ATOM 1464 C PHE A 100 -12.877 -0.263 -7.039 1.00 0.00 C ATOM 1465 O PHE A 100 -12.343 -0.487 -5.953 1.00 0.00 O ATOM 1466 CB PHE A 100 -12.042 -2.178 -8.417 1.00 0.00 C ATOM 1467 CG PHE A 100 -11.385 -2.657 -9.679 1.00 0.00 C ATOM 1468 CD1 PHE A 100 -10.006 -2.758 -9.763 1.00 0.00 C ATOM 1469 CD2 PHE A 100 -12.146 -3.004 -10.784 1.00 0.00 C ATOM 1470 CE1 PHE A 100 -9.398 -3.199 -10.923 1.00 0.00 C ATOM 1471 CE2 PHE A 100 -11.544 -3.446 -11.946 1.00 0.00 C ATOM 1472 CZ PHE A 100 -10.168 -3.542 -12.017 1.00 0.00 C ATOM 0 H PHE A 100 -10.161 -0.426 -7.873 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.810 -0.319 -9.175 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.459 -2.519 -7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -13.028 -2.636 -8.334 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.399 -2.489 -8.912 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -13.222 -2.928 -10.736 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -8.322 -3.275 -10.974 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -12.149 -3.716 -12.799 1.00 0.00 H new ATOM 0 HZ PHE A 100 -9.695 -3.884 -12.926 1.00 0.00 H new ATOM 1482 N ASP A 101 -14.062 0.325 -7.155 1.00 0.00 N ATOM 1483 CA ASP A 101 -14.823 0.750 -5.985 1.00 0.00 C ATOM 1484 C ASP A 101 -15.399 -0.453 -5.245 1.00 0.00 C ATOM 1485 O ASP A 101 -16.231 -1.185 -5.782 1.00 0.00 O ATOM 1486 CB ASP A 101 -15.949 1.697 -6.400 1.00 0.00 C ATOM 1487 CG ASP A 101 -15.659 3.139 -6.030 1.00 0.00 C ATOM 1488 OD1 ASP A 101 -14.499 3.570 -6.191 1.00 0.00 O ATOM 1489 OD2 ASP A 101 -16.593 3.835 -5.579 1.00 0.00 O ATOM 0 H ASP A 101 -14.517 0.519 -8.047 1.00 0.00 H new ATOM 0 HA ASP A 101 -14.146 1.276 -5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -16.102 1.625 -7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -16.878 1.383 -5.924 1.00 0.00 H new ATOM 1494 N VAL A 102 -14.951 -0.652 -4.010 1.00 0.00 N ATOM 1495 CA VAL A 102 -15.422 -1.767 -3.196 1.00 0.00 C ATOM 1496 C VAL A 102 -16.335 -1.281 -2.076 1.00 0.00 C ATOM 1497 O VAL A 102 -16.040 -0.293 -1.406 1.00 0.00 O ATOM 1498 CB VAL A 102 -14.246 -2.549 -2.582 1.00 0.00 C ATOM 1499 CG1 VAL A 102 -14.751 -3.779 -1.842 1.00 0.00 C ATOM 1500 CG2 VAL A 102 -13.245 -2.939 -3.659 1.00 0.00 C ATOM 0 H VAL A 102 -14.262 -0.056 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 102 -15.982 -2.428 -3.857 1.00 0.00 H new ATOM 0 HB VAL A 102 -13.740 -1.904 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -13.906 -4.319 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -15.426 -3.471 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -15.283 -4.429 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.421 -3.491 -3.207 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -13.737 -3.566 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.859 -2.040 -4.140 1.00 0.00 H new ATOM 1510 N GLU A 103 -17.446 -1.985 -1.879 1.00 0.00 N ATOM 1511 CA GLU A 103 -18.403 -1.625 -0.840 1.00 0.00 C ATOM 1512 C GLU A 103 -18.850 -2.859 -0.061 1.00 0.00 C ATOM 1513 O GLU A 103 -19.522 -3.738 -0.601 1.00 0.00 O ATOM 1514 CB GLU A 103 -19.619 -0.928 -1.454 1.00 0.00 C ATOM 1515 CG GLU A 103 -20.753 -0.701 -0.468 1.00 0.00 C ATOM 1516 CD GLU A 103 -21.955 -0.033 -1.106 1.00 0.00 C ATOM 1517 OE1 GLU A 103 -22.459 -0.560 -2.120 1.00 0.00 O ATOM 1518 OE2 GLU A 103 -22.393 1.017 -0.591 1.00 0.00 O ATOM 0 H GLU A 103 -17.705 -2.807 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 103 -17.911 -0.939 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -19.308 0.033 -1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -19.988 -1.526 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -21.057 -1.658 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.395 -0.085 0.357 1.00 0.00 H new ATOM 1525 N LEU A 104 -18.472 -2.917 1.211 1.00 0.00 N ATOM 1526 CA LEU A 104 -18.833 -4.043 2.066 1.00 0.00 C ATOM 1527 C LEU A 104 -20.344 -4.115 2.263 1.00 0.00 C ATOM 1528 O LEU A 104 -20.988 -3.113 2.580 1.00 0.00 O ATOM 1529 CB LEU A 104 -18.136 -3.924 3.422 1.00 0.00 C ATOM 1530 CG LEU A 104 -17.763 -5.241 4.104 1.00 0.00 C ATOM 1531 CD1 LEU A 104 -18.948 -6.195 4.104 1.00 0.00 C ATOM 1532 CD2 LEU A 104 -16.564 -5.877 3.416 1.00 0.00 C ATOM 0 H LEU A 104 -17.916 -2.198 1.673 1.00 0.00 H new ATOM 0 HA LEU A 104 -18.505 -4.959 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -17.227 -3.336 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.785 -3.362 4.093 1.00 0.00 H new ATOM 0 HG LEU A 104 -17.492 -5.029 5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -18.665 -7.127 4.593 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -19.780 -5.741 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -19.249 -6.401 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.313 -6.813 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -16.807 -6.076 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -15.713 -5.198 3.468 1.00 0.00 H new ATOM 1544 N LEU A 105 -20.904 -5.305 2.076 1.00 0.00 N ATOM 1545 CA LEU A 105 -22.340 -5.508 2.235 1.00 0.00 C ATOM 1546 C LEU A 105 -22.632 -6.413 3.428 1.00 0.00 C ATOM 1547 O LEU A 105 -23.494 -6.109 4.253 1.00 0.00 O ATOM 1548 CB LEU A 105 -22.933 -6.115 0.963 1.00 0.00 C ATOM 1549 CG LEU A 105 -23.511 -5.123 -0.048 1.00 0.00 C ATOM 1550 CD1 LEU A 105 -24.588 -4.267 0.600 1.00 0.00 C ATOM 1551 CD2 LEU A 105 -22.408 -4.248 -0.626 1.00 0.00 C ATOM 0 H LEU A 105 -20.386 -6.144 1.814 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.802 -4.537 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.157 -6.698 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -23.721 -6.811 1.250 1.00 0.00 H new ATOM 0 HG LEU A 105 -23.965 -5.687 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -24.987 -3.567 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -25.391 -4.907 0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -24.159 -3.712 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -22.837 -3.548 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -21.925 -3.693 0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -21.671 -4.875 -1.127 1.00 0.00 H new ATOM 1563 N ARG A 106 -21.908 -7.524 3.513 1.00 0.00 N ATOM 1564 CA ARG A 106 -22.089 -8.472 4.605 1.00 0.00 C ATOM 1565 C ARG A 106 -20.797 -9.235 4.883 1.00 0.00 C ATOM 1566 O ARG A 106 -19.879 -9.242 4.062 1.00 0.00 O ATOM 1567 CB ARG A 106 -23.213 -9.456 4.274 1.00 0.00 C ATOM 1568 CG ARG A 106 -24.586 -8.808 4.196 1.00 0.00 C ATOM 1569 CD ARG A 106 -25.648 -9.805 3.759 1.00 0.00 C ATOM 1570 NE ARG A 106 -26.297 -10.447 4.898 1.00 0.00 N ATOM 1571 CZ ARG A 106 -27.177 -9.836 5.684 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -27.511 -8.574 5.454 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -27.725 -10.488 6.701 1.00 0.00 N ATOM 0 H ARG A 106 -21.190 -7.790 2.838 1.00 0.00 H new ATOM 0 HA ARG A 106 -22.359 -7.910 5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -22.993 -9.938 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -23.233 -10.240 5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -24.851 -8.396 5.170 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -24.557 -7.975 3.494 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -26.398 -9.294 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -25.192 -10.566 3.125 1.00 0.00 H new ATOM 0 HE ARG A 106 -26.062 -11.418 5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -27.092 -8.070 4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -28.187 -8.107 6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -27.471 -11.459 6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -28.400 -10.018 7.304 1.00 0.00 H new ATOM 1587 N VAL A 107 -20.732 -9.875 6.046 1.00 0.00 N ATOM 1588 CA VAL A 107 -19.553 -10.641 6.432 1.00 0.00 C ATOM 1589 C VAL A 107 -19.922 -12.078 6.785 1.00 0.00 C ATOM 1590 O VAL A 107 -21.019 -12.344 7.274 1.00 0.00 O ATOM 1591 CB VAL A 107 -18.834 -9.998 7.633 1.00 0.00 C ATOM 1592 CG1 VAL A 107 -19.734 -10.004 8.859 1.00 0.00 C ATOM 1593 CG2 VAL A 107 -17.526 -10.719 7.919 1.00 0.00 C ATOM 0 H VAL A 107 -21.482 -9.878 6.737 1.00 0.00 H new ATOM 0 HA VAL A 107 -18.881 -10.642 5.573 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.604 -8.962 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -19.210 -9.546 9.698 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -20.642 -9.439 8.647 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -19.997 -11.031 9.113 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -17.031 -10.251 8.770 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -17.730 -11.765 8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -16.878 -10.658 7.045 1.00 0.00 H new ATOM 1603 N GLU A 108 -18.998 -13.000 6.532 1.00 0.00 N ATOM 1604 CA GLU A 108 -19.227 -14.410 6.823 1.00 0.00 C ATOM 1605 C GLU A 108 -17.912 -15.127 7.112 1.00 0.00 C ATOM 1606 O GLU A 108 -17.344 -15.780 6.237 1.00 0.00 O ATOM 1607 CB GLU A 108 -19.942 -15.086 5.650 1.00 0.00 C ATOM 1608 CG GLU A 108 -21.401 -14.684 5.514 1.00 0.00 C ATOM 1609 CD GLU A 108 -22.231 -15.734 4.801 1.00 0.00 C ATOM 1610 OE1 GLU A 108 -21.643 -16.556 4.067 1.00 0.00 O ATOM 1611 OE2 GLU A 108 -23.467 -15.734 4.978 1.00 0.00 O ATOM 0 H GLU A 108 -18.085 -12.796 6.126 1.00 0.00 H new ATOM 0 HA GLU A 108 -19.858 -14.474 7.710 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.418 -14.841 4.726 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -19.882 -16.167 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -21.819 -14.507 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -21.465 -13.743 4.968 1.00 0.00 H new TER 1618 GLU A 108