USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 27 HIS HE2 : B 27 HIS NE2 : B 37 ZNZN :(H bumps) USER MOD Set 1.1: A 220 THR OG1 : rot 99:sc= 0.711 USER MOD Set 1.2: A 232 HIS : no HE2:sc= -2.85! C(o=-2.1!,f=-8.1!) USER MOD Set 1.3: B 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 222 HIS : +bothHN:sc= 1.94 K(o=2.4,f=-9!) USER MOD Set 2.2: A 238 ASN : amide:sc= 0.42 K(o=2.4,f=1.7) USER MOD Single : A 206 ASN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 210 THR OG1 : rot 98:sc= 0.725 USER MOD Single : A 212 THR OG1 : rot -123:sc= -0.065 USER MOD Single : A 223 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 235 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 GLY N :NH3+ -125:sc= 0.0842 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 118:sc= 1.2 USER MOD Single : B 20 SER OG : rot 77:sc= 2.02 USER MOD Single : B 22 SER OG : rot 180:sc= 0.0803 USER MOD Single : B 23 THR OG1 : rot 180:sc= -0.105 USER MOD Single : B 28 GLN : amide:sc= 0.791 K(o=0.79,f=-1.1) USER MOD Single : B 31 TYR OH : rot 30:sc= 0 USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 200 -0.420 14.606 0.504 1.00 1.00 N ATOM 2 CA GLU A 200 -1.805 14.106 0.616 1.00 1.00 C ATOM 3 C GLU A 200 -1.992 13.353 1.925 1.00 1.00 C ATOM 4 O GLU A 200 -1.073 13.275 2.739 1.00 1.00 O ATOM 5 CB GLU A 200 -2.128 13.198 -0.570 1.00 1.00 C ATOM 6 CG GLU A 200 -2.778 13.925 -1.737 1.00 1.00 C ATOM 7 CD GLU A 200 -2.106 15.243 -2.059 1.00 1.00 C ATOM 8 OE1 GLU A 200 -0.863 15.270 -2.171 1.00 1.00 O ATOM 9 OE2 GLU A 200 -2.817 16.260 -2.191 1.00 1.00 O ATOM 0 HA GLU A 200 -2.488 14.955 0.607 1.00 1.00 H new ATOM 0 HB2 GLU A 200 -1.209 12.725 -0.915 1.00 1.00 H new ATOM 0 HB3 GLU A 200 -2.791 12.400 -0.236 1.00 1.00 H new ATOM 0 HG2 GLU A 200 -2.750 13.284 -2.618 1.00 1.00 H new ATOM 0 HG3 GLU A 200 -3.828 14.105 -1.507 1.00 1.00 H new ATOM 16 N ALA A 201 -3.180 12.797 2.124 1.00 1.00 N ATOM 17 CA ALA A 201 -3.476 12.060 3.343 1.00 1.00 C ATOM 18 C ALA A 201 -2.893 10.651 3.300 1.00 1.00 C ATOM 19 O ALA A 201 -2.420 10.138 4.312 1.00 1.00 O ATOM 20 CB ALA A 201 -4.976 12.010 3.576 1.00 1.00 C ATOM 0 H ALA A 201 -3.952 12.843 1.458 1.00 1.00 H new ATOM 0 HA ALA A 201 -3.007 12.585 4.175 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -5.184 11.456 4.491 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -5.364 13.024 3.670 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -5.459 11.514 2.734 1.00 1.00 H new ATOM 26 N ARG A 202 -2.918 10.034 2.126 1.00 1.00 N ATOM 27 CA ARG A 202 -2.398 8.684 1.964 1.00 1.00 C ATOM 28 C ARG A 202 -2.190 8.372 0.486 1.00 1.00 C ATOM 29 O ARG A 202 -2.729 9.061 -0.382 1.00 1.00 O ATOM 30 CB ARG A 202 -3.366 7.668 2.581 1.00 1.00 C ATOM 31 CG ARG A 202 -2.730 6.328 2.905 1.00 1.00 C ATOM 32 CD ARG A 202 -2.528 6.155 4.402 1.00 1.00 C ATOM 33 NE ARG A 202 -1.590 7.136 4.953 1.00 1.00 N ATOM 34 CZ ARG A 202 -1.659 7.625 6.191 1.00 1.00 C ATOM 35 NH1 ARG A 202 -2.621 7.227 7.014 1.00 1.00 N ATOM 36 NH2 ARG A 202 -0.764 8.514 6.600 1.00 1.00 N ATOM 0 H ARG A 202 -3.293 10.447 1.272 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.439 8.616 2.477 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.786 8.090 3.494 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -4.196 7.508 1.893 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -3.361 5.524 2.526 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -1.770 6.247 2.395 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -3.488 6.249 4.909 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -2.158 5.149 4.603 1.00 1.00 H new ATOM 0 HE ARG A 202 -0.836 7.466 4.351 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -3.311 6.545 6.700 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -2.670 7.604 7.961 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -0.025 8.822 5.968 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -0.814 8.890 7.547 1.00 1.00 H new ATOM 50 N GLU A 203 -1.391 7.353 0.208 1.00 1.00 N ATOM 51 CA GLU A 203 -1.128 6.937 -1.158 1.00 1.00 C ATOM 52 C GLU A 203 -1.668 5.530 -1.377 1.00 1.00 C ATOM 53 O GLU A 203 -1.593 4.685 -0.482 1.00 1.00 O ATOM 54 CB GLU A 203 0.372 6.959 -1.457 1.00 1.00 C ATOM 55 CG GLU A 203 1.016 8.330 -1.324 1.00 1.00 C ATOM 56 CD GLU A 203 1.383 8.668 0.108 1.00 1.00 C ATOM 57 OE1 GLU A 203 1.783 7.752 0.860 1.00 1.00 O ATOM 58 OE2 GLU A 203 1.295 9.853 0.482 1.00 1.00 O ATOM 0 H GLU A 203 -0.912 6.797 0.916 1.00 1.00 H new ATOM 0 HA GLU A 203 -1.626 7.634 -1.831 1.00 1.00 H new ATOM 0 HB2 GLU A 203 0.875 6.267 -0.782 1.00 1.00 H new ATOM 0 HB3 GLU A 203 0.534 6.591 -2.470 1.00 1.00 H new ATOM 0 HG2 GLU A 203 1.912 8.367 -1.943 1.00 1.00 H new ATOM 0 HG3 GLU A 203 0.332 9.087 -1.708 1.00 1.00 H new ATOM 65 N CYS A 204 -2.214 5.283 -2.558 1.00 1.00 N ATOM 66 CA CYS A 204 -2.756 3.976 -2.880 1.00 1.00 C ATOM 67 C CYS A 204 -1.646 3.042 -3.352 1.00 1.00 C ATOM 68 O CYS A 204 -0.611 3.485 -3.852 1.00 1.00 O ATOM 69 CB CYS A 204 -3.847 4.104 -3.941 1.00 1.00 C ATOM 70 SG CYS A 204 -4.364 2.529 -4.692 1.00 1.00 S ATOM 0 H CYS A 204 -2.292 5.971 -3.307 1.00 1.00 H new ATOM 0 HA CYS A 204 -3.200 3.548 -1.981 1.00 1.00 H new ATOM 0 HB2 CYS A 204 -4.718 4.580 -3.491 1.00 1.00 H new ATOM 0 HB3 CYS A 204 -3.492 4.768 -4.729 1.00 1.00 H new ATOM 75 N VAL A 205 -1.881 1.751 -3.203 1.00 1.00 N ATOM 76 CA VAL A 205 -0.908 0.740 -3.577 1.00 1.00 C ATOM 77 C VAL A 205 -1.349 -0.030 -4.815 1.00 1.00 C ATOM 78 O VAL A 205 -0.628 -0.897 -5.308 1.00 1.00 O ATOM 79 CB VAL A 205 -0.704 -0.258 -2.421 1.00 1.00 C ATOM 80 CG1 VAL A 205 -0.318 0.476 -1.148 1.00 1.00 C ATOM 81 CG2 VAL A 205 -1.966 -1.085 -2.204 1.00 1.00 C ATOM 0 H VAL A 205 -2.748 1.374 -2.821 1.00 1.00 H new ATOM 0 HA VAL A 205 0.026 1.256 -3.797 1.00 1.00 H new ATOM 0 HB VAL A 205 0.108 -0.935 -2.686 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.178 -0.244 -0.341 1.00 1.00 H new ATOM 0 HG12 VAL A 205 0.610 1.024 -1.311 1.00 1.00 H new ATOM 0 HG13 VAL A 205 -1.109 1.175 -0.877 1.00 1.00 H new ATOM 0 HG21 VAL A 205 -1.806 -1.785 -1.384 1.00 1.00 H new ATOM 0 HG22 VAL A 205 -2.797 -0.423 -1.959 1.00 1.00 H new ATOM 0 HG23 VAL A 205 -2.199 -1.639 -3.114 1.00 1.00 H new ATOM 91 N ASN A 206 -2.532 0.288 -5.314 1.00 1.00 N ATOM 92 CA ASN A 206 -3.069 -0.396 -6.477 1.00 1.00 C ATOM 93 C ASN A 206 -3.172 0.542 -7.673 1.00 1.00 C ATOM 94 O ASN A 206 -2.758 0.190 -8.778 1.00 1.00 O ATOM 95 CB ASN A 206 -4.437 -0.994 -6.150 1.00 1.00 C ATOM 96 CG ASN A 206 -4.364 -2.470 -5.796 1.00 1.00 C ATOM 97 OD1 ASN A 206 -4.009 -2.777 -4.552 1.00 1.00 O flip ATOM 98 ND2 ASN A 206 -4.611 -3.334 -6.639 1.00 1.00 N flip ATOM 0 H ASN A 206 -3.138 1.015 -4.932 1.00 1.00 H new ATOM 0 HA ASN A 206 -2.383 -1.200 -6.743 1.00 1.00 H new ATOM 0 HB2 ASN A 206 -4.878 -0.447 -5.317 1.00 1.00 H new ATOM 0 HB3 ASN A 206 -5.100 -0.862 -7.005 1.00 1.00 H new ATOM 0 HD21 ASN A 206 -4.881 -3.062 -7.584 1.00 1.00 H new ATOM 0 HD22 ASN A 206 -4.546 -4.321 -6.391 1.00 1.00 H new ATOM 105 N CYS A 207 -3.718 1.734 -7.462 1.00 1.00 N ATOM 106 CA CYS A 207 -3.858 2.695 -8.547 1.00 1.00 C ATOM 107 C CYS A 207 -3.170 4.011 -8.223 1.00 1.00 C ATOM 108 O CYS A 207 -2.881 4.804 -9.115 1.00 1.00 O ATOM 109 CB CYS A 207 -5.336 2.940 -8.862 1.00 1.00 C ATOM 110 SG CYS A 207 -6.380 3.292 -7.406 1.00 1.00 S ATOM 0 H CYS A 207 -4.067 2.055 -6.559 1.00 1.00 H new ATOM 0 HA CYS A 207 -3.372 2.268 -9.425 1.00 1.00 H new ATOM 0 HB2 CYS A 207 -5.411 3.777 -9.557 1.00 1.00 H new ATOM 0 HB3 CYS A 207 -5.734 2.064 -9.374 1.00 1.00 H new ATOM 115 N GLY A 208 -2.927 4.244 -6.947 1.00 1.00 N ATOM 116 CA GLY A 208 -2.270 5.464 -6.532 1.00 1.00 C ATOM 117 C GLY A 208 -3.235 6.622 -6.410 1.00 1.00 C ATOM 118 O GLY A 208 -2.824 7.758 -6.158 1.00 1.00 O ATOM 0 H GLY A 208 -3.173 3.609 -6.187 1.00 1.00 H new ATOM 0 HA2 GLY A 208 -1.778 5.301 -5.573 1.00 1.00 H new ATOM 0 HA3 GLY A 208 -1.491 5.717 -7.251 1.00 1.00 H new ATOM 122 N ALA A 209 -4.517 6.336 -6.595 1.00 1.00 N ATOM 123 CA ALA A 209 -5.551 7.353 -6.494 1.00 1.00 C ATOM 124 C ALA A 209 -5.614 7.904 -5.077 1.00 1.00 C ATOM 125 O ALA A 209 -5.748 7.151 -4.115 1.00 1.00 O ATOM 126 CB ALA A 209 -6.901 6.784 -6.901 1.00 1.00 C ATOM 0 H ALA A 209 -4.865 5.403 -6.817 1.00 1.00 H new ATOM 0 HA ALA A 209 -5.301 8.168 -7.174 1.00 1.00 H new ATOM 0 HB1 ALA A 209 -7.662 7.560 -6.819 1.00 1.00 H new ATOM 0 HB2 ALA A 209 -6.852 6.431 -7.931 1.00 1.00 H new ATOM 0 HB3 ALA A 209 -7.158 5.952 -6.245 1.00 1.00 H new ATOM 132 N THR A 210 -5.512 9.213 -4.956 1.00 1.00 N ATOM 133 CA THR A 210 -5.548 9.863 -3.660 1.00 1.00 C ATOM 134 C THR A 210 -6.727 10.839 -3.587 1.00 1.00 C ATOM 135 O THR A 210 -7.067 11.355 -2.521 1.00 1.00 O ATOM 136 CB THR A 210 -4.214 10.593 -3.386 1.00 1.00 C ATOM 137 OG1 THR A 210 -4.079 10.891 -1.992 1.00 1.00 O ATOM 138 CG2 THR A 210 -4.110 11.873 -4.202 1.00 1.00 C ATOM 0 H THR A 210 -5.403 9.851 -5.744 1.00 1.00 H new ATOM 0 HA THR A 210 -5.685 9.103 -2.891 1.00 1.00 H new ATOM 0 HB THR A 210 -3.405 9.927 -3.686 1.00 1.00 H new ATOM 0 HG1 THR A 210 -3.521 10.209 -1.564 1.00 1.00 H new ATOM 0 HG21 THR A 210 -3.161 12.365 -3.988 1.00 1.00 H new ATOM 0 HG22 THR A 210 -4.163 11.633 -5.264 1.00 1.00 H new ATOM 0 HG23 THR A 210 -4.931 12.540 -3.939 1.00 1.00 H new ATOM 146 N ALA A 211 -7.367 11.062 -4.729 1.00 1.00 N ATOM 147 CA ALA A 211 -8.504 11.969 -4.812 1.00 1.00 C ATOM 148 C ALA A 211 -9.811 11.237 -4.519 1.00 1.00 C ATOM 149 O ALA A 211 -10.800 11.379 -5.243 1.00 1.00 O ATOM 150 CB ALA A 211 -8.548 12.619 -6.183 1.00 1.00 C ATOM 0 H ALA A 211 -7.115 10.624 -5.615 1.00 1.00 H new ATOM 0 HA ALA A 211 -8.383 12.746 -4.057 1.00 1.00 H new ATOM 0 HB1 ALA A 211 -9.401 13.296 -6.238 1.00 1.00 H new ATOM 0 HB2 ALA A 211 -7.628 13.180 -6.349 1.00 1.00 H new ATOM 0 HB3 ALA A 211 -8.647 11.849 -6.948 1.00 1.00 H new ATOM 156 N THR A 212 -9.807 10.454 -3.453 1.00 1.00 N ATOM 157 CA THR A 212 -10.985 9.704 -3.051 1.00 1.00 C ATOM 158 C THR A 212 -11.862 10.547 -2.124 1.00 1.00 C ATOM 159 O THR A 212 -11.362 11.207 -1.209 1.00 1.00 O ATOM 160 CB THR A 212 -10.601 8.374 -2.353 1.00 1.00 C ATOM 161 OG1 THR A 212 -11.769 7.708 -1.852 1.00 1.00 O ATOM 162 CG2 THR A 212 -9.620 8.618 -1.215 1.00 1.00 C ATOM 0 H THR A 212 -8.997 10.321 -2.848 1.00 1.00 H new ATOM 0 HA THR A 212 -11.546 9.462 -3.953 1.00 1.00 H new ATOM 0 HB THR A 212 -10.121 7.737 -3.096 1.00 1.00 H new ATOM 0 HG1 THR A 212 -11.674 7.561 -0.888 1.00 1.00 H new ATOM 0 HG21 THR A 212 -9.367 7.669 -0.743 1.00 1.00 H new ATOM 0 HG22 THR A 212 -8.714 9.080 -1.608 1.00 1.00 H new ATOM 0 HG23 THR A 212 -10.075 9.280 -0.478 1.00 1.00 H new ATOM 170 N PRO A 213 -13.184 10.557 -2.367 1.00 1.00 N ATOM 171 CA PRO A 213 -14.132 11.319 -1.549 1.00 1.00 C ATOM 172 C PRO A 213 -14.231 10.775 -0.125 1.00 1.00 C ATOM 173 O PRO A 213 -14.587 11.499 0.805 1.00 1.00 O ATOM 174 CB PRO A 213 -15.466 11.142 -2.279 1.00 1.00 C ATOM 175 CG PRO A 213 -15.308 9.898 -3.082 1.00 1.00 C ATOM 176 CD PRO A 213 -13.857 9.836 -3.465 1.00 1.00 C ATOM 0 HA PRO A 213 -13.828 12.360 -1.441 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -16.292 11.053 -1.574 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -15.682 11.998 -2.918 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -15.597 9.021 -2.504 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -15.945 9.921 -3.966 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -13.506 8.807 -3.545 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -13.675 10.311 -4.429 1.00 1.00 H new ATOM 184 N LEU A 214 -13.900 9.501 0.037 1.00 1.00 N ATOM 185 CA LEU A 214 -13.953 8.851 1.336 1.00 1.00 C ATOM 186 C LEU A 214 -12.815 7.853 1.462 1.00 1.00 C ATOM 187 O LEU A 214 -12.767 6.868 0.725 1.00 1.00 O ATOM 188 CB LEU A 214 -15.294 8.136 1.519 1.00 1.00 C ATOM 189 CG LEU A 214 -15.496 7.469 2.879 1.00 1.00 C ATOM 190 CD1 LEU A 214 -15.649 8.517 3.970 1.00 1.00 C ATOM 191 CD2 LEU A 214 -16.705 6.547 2.841 1.00 1.00 C ATOM 0 H LEU A 214 -13.590 8.895 -0.722 1.00 1.00 H new ATOM 0 HA LEU A 214 -13.852 9.610 2.111 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -16.096 8.857 1.363 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -15.392 7.378 0.742 1.00 1.00 H new ATOM 0 HG LEU A 214 -14.615 6.869 3.107 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -15.792 8.023 4.931 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -14.752 9.135 4.009 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -16.513 9.145 3.753 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -16.836 6.079 3.817 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -17.595 7.125 2.593 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -16.551 5.776 2.086 1.00 1.00 H new ATOM 203 N TRP A 215 -11.900 8.120 2.381 1.00 1.00 N ATOM 204 CA TRP A 215 -10.762 7.241 2.601 1.00 1.00 C ATOM 205 C TRP A 215 -11.220 5.911 3.181 1.00 1.00 C ATOM 206 O TRP A 215 -11.751 5.847 4.290 1.00 1.00 O ATOM 207 CB TRP A 215 -9.741 7.912 3.518 1.00 1.00 C ATOM 208 CG TRP A 215 -9.016 9.034 2.847 1.00 1.00 C ATOM 209 CD1 TRP A 215 -9.279 10.365 2.961 1.00 1.00 C ATOM 210 CD2 TRP A 215 -7.920 8.917 1.937 1.00 1.00 C ATOM 211 NE1 TRP A 215 -8.407 11.087 2.183 1.00 1.00 N ATOM 212 CE2 TRP A 215 -7.562 10.219 1.544 1.00 1.00 C ATOM 213 CE3 TRP A 215 -7.203 7.836 1.423 1.00 1.00 C ATOM 214 CZ2 TRP A 215 -6.522 10.466 0.652 1.00 1.00 C ATOM 215 CZ3 TRP A 215 -6.173 8.082 0.538 1.00 1.00 C ATOM 216 CH2 TRP A 215 -5.838 9.388 0.164 1.00 1.00 C ATOM 0 H TRP A 215 -11.923 8.940 2.987 1.00 1.00 H new ATOM 0 HA TRP A 215 -10.283 7.045 1.642 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -10.249 8.291 4.405 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -9.019 7.169 3.857 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -10.060 10.791 3.574 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -8.391 12.103 2.096 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -7.450 6.825 1.712 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -6.265 11.473 0.356 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -5.616 7.253 0.127 1.00 1.00 H new ATOM 0 HH2 TRP A 215 -5.022 9.548 -0.525 1.00 1.00 H new ATOM 227 N ARG A 216 -11.022 4.854 2.415 1.00 1.00 N ATOM 228 CA ARG A 216 -11.424 3.525 2.829 1.00 1.00 C ATOM 229 C ARG A 216 -10.307 2.814 3.583 1.00 1.00 C ATOM 230 O ARG A 216 -9.150 2.803 3.156 1.00 1.00 O ATOM 231 CB ARG A 216 -11.840 2.691 1.615 1.00 1.00 C ATOM 232 CG ARG A 216 -12.274 1.278 1.968 1.00 1.00 C ATOM 233 CD ARG A 216 -13.444 1.285 2.934 1.00 1.00 C ATOM 234 NE ARG A 216 -13.448 0.113 3.810 1.00 1.00 N ATOM 235 CZ ARG A 216 -14.552 -0.396 4.352 1.00 1.00 C ATOM 236 NH1 ARG A 216 -15.727 0.171 4.112 1.00 1.00 N ATOM 237 NH2 ARG A 216 -14.480 -1.457 5.146 1.00 1.00 N ATOM 0 H ARG A 216 -10.582 4.893 1.496 1.00 1.00 H new ATOM 0 HA ARG A 216 -12.275 3.634 3.502 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -12.658 3.196 1.101 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -11.006 2.642 0.915 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -12.553 0.744 1.060 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -11.437 0.738 2.411 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -13.406 2.189 3.541 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -14.377 1.318 2.371 1.00 1.00 H new ATOM 0 HE ARG A 216 -12.557 -0.338 4.016 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -15.783 0.995 3.513 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -16.575 -0.217 4.526 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -13.576 -1.886 5.343 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -15.329 -1.843 5.559 1.00 1.00 H new ATOM 251 N ARG A 217 -10.672 2.221 4.708 1.00 1.00 N ATOM 252 CA ARG A 217 -9.729 1.481 5.525 1.00 1.00 C ATOM 253 C ARG A 217 -9.746 0.012 5.134 1.00 1.00 C ATOM 254 O ARG A 217 -10.795 -0.536 4.783 1.00 1.00 O ATOM 255 CB ARG A 217 -10.072 1.633 7.007 1.00 1.00 C ATOM 256 CG ARG A 217 -9.876 3.043 7.527 1.00 1.00 C ATOM 257 CD ARG A 217 -10.141 3.129 9.018 1.00 1.00 C ATOM 258 NE ARG A 217 -9.814 4.447 9.554 1.00 1.00 N ATOM 259 CZ ARG A 217 -8.756 4.692 10.326 1.00 1.00 C ATOM 260 NH1 ARG A 217 -7.916 3.708 10.636 1.00 1.00 N ATOM 261 NH2 ARG A 217 -8.532 5.921 10.776 1.00 1.00 N ATOM 0 H ARG A 217 -11.623 2.239 5.077 1.00 1.00 H new ATOM 0 HA ARG A 217 -8.730 1.883 5.357 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -11.109 1.336 7.165 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -9.453 0.950 7.588 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -8.857 3.370 7.318 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -10.544 3.723 6.998 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -11.190 2.908 9.214 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -9.553 2.371 9.535 1.00 1.00 H new ATOM 0 HE ARG A 217 -10.431 5.226 9.324 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -8.082 2.766 10.283 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -7.106 3.896 11.227 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -9.170 6.678 10.531 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -7.722 6.108 11.367 1.00 1.00 H new ATOM 275 N ASP A 218 -8.583 -0.612 5.186 1.00 1.00 N ATOM 276 CA ASP A 218 -8.445 -2.018 4.840 1.00 1.00 C ATOM 277 C ASP A 218 -8.633 -2.880 6.082 1.00 1.00 C ATOM 278 O ASP A 218 -8.166 -2.523 7.167 1.00 1.00 O ATOM 279 CB ASP A 218 -7.075 -2.262 4.202 1.00 1.00 C ATOM 280 CG ASP A 218 -6.674 -3.723 4.175 1.00 1.00 C ATOM 281 OD1 ASP A 218 -7.457 -4.560 3.691 1.00 1.00 O ATOM 282 OD2 ASP A 218 -5.562 -4.043 4.635 1.00 1.00 O ATOM 0 H ASP A 218 -7.711 -0.163 5.467 1.00 1.00 H new ATOM 0 HA ASP A 218 -9.213 -2.292 4.117 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -7.084 -1.877 3.182 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -6.322 -1.696 4.750 1.00 1.00 H new ATOM 287 N ARG A 219 -9.313 -4.010 5.914 1.00 1.00 N ATOM 288 CA ARG A 219 -9.596 -4.921 7.020 1.00 1.00 C ATOM 289 C ARG A 219 -8.314 -5.449 7.659 1.00 1.00 C ATOM 290 O ARG A 219 -8.271 -5.687 8.866 1.00 1.00 O ATOM 291 CB ARG A 219 -10.466 -6.090 6.544 1.00 1.00 C ATOM 292 CG ARG A 219 -10.879 -7.041 7.661 1.00 1.00 C ATOM 293 CD ARG A 219 -11.679 -6.329 8.743 1.00 1.00 C ATOM 294 NE ARG A 219 -11.863 -7.166 9.929 1.00 1.00 N ATOM 295 CZ ARG A 219 -12.441 -6.753 11.056 1.00 1.00 C ATOM 296 NH1 ARG A 219 -12.889 -5.509 11.164 1.00 1.00 N ATOM 297 NH2 ARG A 219 -12.572 -7.590 12.076 1.00 1.00 N ATOM 0 H ARG A 219 -9.681 -4.319 5.015 1.00 1.00 H new ATOM 0 HA ARG A 219 -10.139 -4.356 7.777 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -11.362 -5.694 6.067 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -9.922 -6.651 5.784 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -11.474 -7.854 7.245 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -9.990 -7.491 8.103 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -11.168 -5.408 9.025 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -12.653 -6.044 8.345 1.00 1.00 H new ATOM 0 HE ARG A 219 -11.527 -8.128 9.890 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -12.792 -4.862 10.381 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -13.331 -5.199 12.030 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -12.231 -8.548 11.997 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -13.014 -7.276 12.940 1.00 1.00 H new ATOM 311 N THR A 220 -7.267 -5.609 6.861 1.00 1.00 N ATOM 312 CA THR A 220 -5.994 -6.108 7.367 1.00 1.00 C ATOM 313 C THR A 220 -5.224 -5.024 8.131 1.00 1.00 C ATOM 314 O THR A 220 -4.040 -5.185 8.429 1.00 1.00 O ATOM 315 CB THR A 220 -5.118 -6.648 6.224 1.00 1.00 C ATOM 316 OG1 THR A 220 -5.862 -6.647 5.000 1.00 1.00 O ATOM 317 CG2 THR A 220 -4.636 -8.058 6.523 1.00 1.00 C ATOM 0 H THR A 220 -7.273 -5.401 5.862 1.00 1.00 H new ATOM 0 HA THR A 220 -6.225 -6.920 8.056 1.00 1.00 H new ATOM 0 HB THR A 220 -4.248 -5.999 6.128 1.00 1.00 H new ATOM 0 HG1 THR A 220 -5.630 -5.852 4.477 1.00 1.00 H new ATOM 0 HG21 THR A 220 -4.019 -8.414 5.698 1.00 1.00 H new ATOM 0 HG22 THR A 220 -4.048 -8.055 7.441 1.00 1.00 H new ATOM 0 HG23 THR A 220 -5.495 -8.718 6.645 1.00 1.00 H new ATOM 325 N GLY A 221 -5.897 -3.921 8.436 1.00 1.00 N ATOM 326 CA GLY A 221 -5.274 -2.842 9.179 1.00 1.00 C ATOM 327 C GLY A 221 -4.427 -1.939 8.309 1.00 1.00 C ATOM 328 O GLY A 221 -3.249 -1.727 8.583 1.00 1.00 O ATOM 0 H GLY A 221 -6.870 -3.754 8.180 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -6.048 -2.248 9.665 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -4.653 -3.263 9.969 1.00 1.00 H new ATOM 332 N HIS A 222 -5.025 -1.403 7.256 1.00 1.00 N ATOM 333 CA HIS A 222 -4.315 -0.511 6.346 1.00 1.00 C ATOM 334 C HIS A 222 -5.232 0.615 5.896 1.00 1.00 C ATOM 335 O HIS A 222 -6.399 0.669 6.286 1.00 1.00 O ATOM 336 CB HIS A 222 -3.797 -1.268 5.119 1.00 1.00 C ATOM 337 CG HIS A 222 -2.790 -2.330 5.432 1.00 1.00 C ATOM 338 ND1 HIS A 222 -3.040 -3.671 5.255 1.00 1.00 N ATOM 339 CD2 HIS A 222 -1.529 -2.244 5.912 1.00 1.00 C ATOM 340 CE1 HIS A 222 -1.975 -4.366 5.607 1.00 1.00 C ATOM 341 NE2 HIS A 222 -1.043 -3.522 6.011 1.00 1.00 N ATOM 0 H HIS A 222 -6.001 -1.569 7.009 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.462 -0.097 6.883 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -4.642 -1.725 4.605 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -3.351 -0.553 4.427 1.00 1.00 H new ATOM 0 HD1 HIS A 222 -3.913 -4.067 4.906 1.00 1.00 H new ATOM 0 HD2 HIS A 222 -1.002 -1.337 6.170 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -1.881 -5.441 5.571 1.00 1.00 H new ATOM 0 HE2 HIS A 222 -0.113 -3.779 6.343 1.00 1.00 H new ATOM 350 N TYR A 223 -4.705 1.503 5.072 1.00 1.00 N ATOM 351 CA TYR A 223 -5.472 2.625 4.563 1.00 1.00 C ATOM 352 C TYR A 223 -5.266 2.745 3.062 1.00 1.00 C ATOM 353 O TYR A 223 -4.136 2.660 2.584 1.00 1.00 O ATOM 354 CB TYR A 223 -5.037 3.919 5.254 1.00 1.00 C ATOM 355 CG TYR A 223 -6.183 4.741 5.794 1.00 1.00 C ATOM 356 CD1 TYR A 223 -7.349 4.906 5.062 1.00 1.00 C ATOM 357 CD2 TYR A 223 -6.096 5.349 7.038 1.00 1.00 C ATOM 358 CE1 TYR A 223 -8.398 5.654 5.553 1.00 1.00 C ATOM 359 CE2 TYR A 223 -7.140 6.101 7.537 1.00 1.00 C ATOM 360 CZ TYR A 223 -8.290 6.249 6.791 1.00 1.00 C ATOM 361 OH TYR A 223 -9.336 6.995 7.287 1.00 1.00 O ATOM 0 H TYR A 223 -3.741 1.468 4.739 1.00 1.00 H new ATOM 0 HA TYR A 223 -6.529 2.456 4.769 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -4.362 3.672 6.074 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -4.471 4.524 4.546 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -7.437 4.441 4.091 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -5.197 5.232 7.625 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -9.300 5.773 4.970 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.057 6.571 8.506 1.00 1.00 H new ATOM 0 HH TYR A 223 -9.098 7.344 8.171 1.00 1.00 H new ATOM 371 N LEU A 224 -6.354 2.923 2.329 1.00 1.00 N ATOM 372 CA LEU A 224 -6.295 3.052 0.878 1.00 1.00 C ATOM 373 C LEU A 224 -7.297 4.095 0.399 1.00 1.00 C ATOM 374 O LEU A 224 -7.906 4.790 1.213 1.00 1.00 O ATOM 375 CB LEU A 224 -6.574 1.703 0.210 1.00 1.00 C ATOM 376 CG LEU A 224 -5.391 0.732 0.194 1.00 1.00 C ATOM 377 CD1 LEU A 224 -5.837 -0.654 -0.238 1.00 1.00 C ATOM 378 CD2 LEU A 224 -4.299 1.247 -0.727 1.00 1.00 C ATOM 0 H LEU A 224 -7.296 2.982 2.717 1.00 1.00 H new ATOM 0 HA LEU A 224 -5.292 3.377 0.600 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -7.409 1.226 0.723 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -6.892 1.882 -0.817 1.00 1.00 H new ATOM 0 HG LEU A 224 -4.992 0.662 1.206 1.00 1.00 H new ATOM 0 HD11 LEU A 224 -4.980 -1.327 -0.242 1.00 1.00 H new ATOM 0 HD12 LEU A 224 -6.589 -1.028 0.457 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -6.263 -0.603 -1.240 1.00 1.00 H new ATOM 0 HD21 LEU A 224 -3.464 0.546 -0.729 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -4.692 1.345 -1.739 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -3.956 2.220 -0.376 1.00 1.00 H new ATOM 390 N CYS A 225 -7.467 4.194 -0.915 1.00 1.00 N ATOM 391 CA CYS A 225 -8.383 5.157 -1.505 1.00 1.00 C ATOM 392 C CYS A 225 -9.828 4.811 -1.159 1.00 1.00 C ATOM 393 O CYS A 225 -10.431 5.395 -0.259 1.00 1.00 O ATOM 394 CB CYS A 225 -8.201 5.167 -3.023 1.00 1.00 C ATOM 395 SG CYS A 225 -8.207 3.503 -3.772 1.00 1.00 S ATOM 0 H CYS A 225 -6.977 3.613 -1.595 1.00 1.00 H new ATOM 0 HA CYS A 225 -8.161 6.145 -1.102 1.00 1.00 H new ATOM 0 HB2 CYS A 225 -8.997 5.761 -3.472 1.00 1.00 H new ATOM 0 HB3 CYS A 225 -7.260 5.661 -3.264 1.00 1.00 H new ATOM 400 N ASN A 226 -10.366 3.852 -1.890 1.00 1.00 N ATOM 401 CA ASN A 226 -11.730 3.396 -1.694 1.00 1.00 C ATOM 402 C ASN A 226 -11.951 2.076 -2.417 1.00 1.00 C ATOM 403 O ASN A 226 -12.320 1.077 -1.802 1.00 1.00 O ATOM 404 CB ASN A 226 -12.729 4.441 -2.195 1.00 1.00 C ATOM 405 CG ASN A 226 -14.111 4.239 -1.606 1.00 1.00 C ATOM 406 OD1 ASN A 226 -14.919 3.470 -2.129 1.00 1.00 O ATOM 407 ND2 ASN A 226 -14.397 4.928 -0.510 1.00 1.00 N ATOM 0 H ASN A 226 -9.869 3.367 -2.637 1.00 1.00 H new ATOM 0 HA ASN A 226 -11.891 3.249 -0.626 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -12.369 5.438 -1.939 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -12.788 4.393 -3.282 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -15.312 4.831 -0.071 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -13.702 5.555 -0.106 1.00 1.00 H new ATOM 414 N ALA A 227 -11.698 2.074 -3.724 1.00 1.00 N ATOM 415 CA ALA A 227 -11.871 0.879 -4.545 1.00 1.00 C ATOM 416 C ALA A 227 -10.952 -0.244 -4.085 1.00 1.00 C ATOM 417 O ALA A 227 -11.417 -1.325 -3.711 1.00 1.00 O ATOM 418 CB ALA A 227 -11.615 1.195 -6.010 1.00 1.00 C ATOM 0 H ALA A 227 -11.371 2.891 -4.239 1.00 1.00 H new ATOM 0 HA ALA A 227 -12.902 0.545 -4.430 1.00 1.00 H new ATOM 0 HB1 ALA A 227 -11.749 0.292 -6.606 1.00 1.00 H new ATOM 0 HB2 ALA A 227 -12.317 1.958 -6.346 1.00 1.00 H new ATOM 0 HB3 ALA A 227 -10.596 1.561 -6.130 1.00 1.00 H new ATOM 424 N CYS A 228 -9.652 0.022 -4.109 1.00 1.00 N ATOM 425 CA CYS A 228 -8.656 -0.950 -3.695 1.00 1.00 C ATOM 426 C CYS A 228 -8.849 -1.333 -2.231 1.00 1.00 C ATOM 427 O CYS A 228 -8.618 -2.477 -1.839 1.00 1.00 O ATOM 428 CB CYS A 228 -7.273 -0.359 -3.923 1.00 1.00 C ATOM 429 SG CYS A 228 -7.189 0.716 -5.394 1.00 1.00 S ATOM 0 H CYS A 228 -9.263 0.914 -4.415 1.00 1.00 H new ATOM 0 HA CYS A 228 -8.765 -1.859 -4.286 1.00 1.00 H new ATOM 0 HB2 CYS A 228 -6.980 0.215 -3.044 1.00 1.00 H new ATOM 0 HB3 CYS A 228 -6.551 -1.169 -4.030 1.00 1.00 H new ATOM 434 N GLY A 229 -9.286 -0.364 -1.436 1.00 1.00 N ATOM 435 CA GLY A 229 -9.528 -0.606 -0.029 1.00 1.00 C ATOM 436 C GLY A 229 -10.633 -1.622 0.184 1.00 1.00 C ATOM 437 O GLY A 229 -10.518 -2.506 1.029 1.00 1.00 O ATOM 0 H GLY A 229 -9.478 0.589 -1.744 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -8.611 -0.961 0.442 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -9.796 0.330 0.460 1.00 1.00 H new ATOM 441 N LEU A 230 -11.700 -1.499 -0.599 1.00 1.00 N ATOM 442 CA LEU A 230 -12.830 -2.415 -0.506 1.00 1.00 C ATOM 443 C LEU A 230 -12.444 -3.787 -1.035 1.00 1.00 C ATOM 444 O LEU A 230 -12.765 -4.810 -0.430 1.00 1.00 O ATOM 445 CB LEU A 230 -14.024 -1.872 -1.292 1.00 1.00 C ATOM 446 CG LEU A 230 -14.725 -0.669 -0.661 1.00 1.00 C ATOM 447 CD1 LEU A 230 -15.779 -0.112 -1.608 1.00 1.00 C ATOM 448 CD2 LEU A 230 -15.353 -1.062 0.667 1.00 1.00 C ATOM 0 H LEU A 230 -11.805 -0.772 -1.307 1.00 1.00 H new ATOM 0 HA LEU A 230 -13.111 -2.507 0.543 1.00 1.00 H new ATOM 0 HB2 LEU A 230 -13.685 -1.593 -2.290 1.00 1.00 H new ATOM 0 HB3 LEU A 230 -14.752 -2.673 -1.415 1.00 1.00 H new ATOM 0 HG LEU A 230 -13.984 0.109 -0.476 1.00 1.00 H new ATOM 0 HD11 LEU A 230 -16.269 0.744 -1.144 1.00 1.00 H new ATOM 0 HD12 LEU A 230 -15.304 0.202 -2.537 1.00 1.00 H new ATOM 0 HD13 LEU A 230 -16.520 -0.882 -1.821 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -15.849 -0.196 1.105 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -16.084 -1.854 0.504 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -14.577 -1.418 1.345 1.00 1.00 H new ATOM 460 N TYR A 231 -11.740 -3.799 -2.162 1.00 1.00 N ATOM 461 CA TYR A 231 -11.301 -5.045 -2.775 1.00 1.00 C ATOM 462 C TYR A 231 -10.367 -5.800 -1.838 1.00 1.00 C ATOM 463 O TYR A 231 -10.492 -7.012 -1.669 1.00 1.00 O ATOM 464 CB TYR A 231 -10.602 -4.772 -4.109 1.00 1.00 C ATOM 465 CG TYR A 231 -10.160 -6.028 -4.831 1.00 1.00 C ATOM 466 CD1 TYR A 231 -11.088 -6.959 -5.279 1.00 1.00 C ATOM 467 CD2 TYR A 231 -8.813 -6.283 -5.058 1.00 1.00 C ATOM 468 CE1 TYR A 231 -10.687 -8.109 -5.932 1.00 1.00 C ATOM 469 CE2 TYR A 231 -8.404 -7.431 -5.713 1.00 1.00 C ATOM 470 CZ TYR A 231 -9.345 -8.341 -6.146 1.00 1.00 C ATOM 471 OH TYR A 231 -8.942 -9.487 -6.798 1.00 1.00 O ATOM 0 H TYR A 231 -11.462 -2.959 -2.669 1.00 1.00 H new ATOM 0 HA TYR A 231 -12.180 -5.661 -2.963 1.00 1.00 H new ATOM 0 HB2 TYR A 231 -11.277 -4.210 -4.755 1.00 1.00 H new ATOM 0 HB3 TYR A 231 -9.732 -4.140 -3.931 1.00 1.00 H new ATOM 0 HD1 TYR A 231 -12.140 -6.781 -5.114 1.00 1.00 H new ATOM 0 HD2 TYR A 231 -8.073 -5.574 -4.718 1.00 1.00 H new ATOM 0 HE1 TYR A 231 -11.422 -8.823 -6.273 1.00 1.00 H new ATOM 0 HE2 TYR A 231 -7.353 -7.613 -5.884 1.00 1.00 H new ATOM 0 HH TYR A 231 -7.965 -9.497 -6.868 1.00 1.00 H new ATOM 481 N HIS A 232 -9.448 -5.074 -1.216 1.00 1.00 N ATOM 482 CA HIS A 232 -8.497 -5.678 -0.293 1.00 1.00 C ATOM 483 C HIS A 232 -9.210 -6.167 0.961 1.00 1.00 C ATOM 484 O HIS A 232 -8.919 -7.249 1.471 1.00 1.00 O ATOM 485 CB HIS A 232 -7.406 -4.679 0.081 1.00 1.00 C ATOM 486 CG HIS A 232 -6.140 -5.335 0.519 1.00 1.00 C ATOM 487 ND1 HIS A 232 -5.867 -5.633 1.830 1.00 1.00 N ATOM 488 CD2 HIS A 232 -5.077 -5.763 -0.193 1.00 1.00 C ATOM 489 CE1 HIS A 232 -4.690 -6.220 1.908 1.00 1.00 C ATOM 490 NE2 HIS A 232 -4.185 -6.313 0.689 1.00 1.00 N ATOM 0 H HIS A 232 -9.341 -4.066 -1.334 1.00 1.00 H new ATOM 0 HA HIS A 232 -8.034 -6.531 -0.789 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -7.199 -4.038 -0.776 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -7.770 -4.034 0.881 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -6.479 -5.432 2.621 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -4.952 -5.686 -1.263 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -4.217 -6.567 2.815 1.00 1.00 H new ATOM 499 N LYS A 233 -10.150 -5.361 1.441 1.00 1.00 N ATOM 500 CA LYS A 233 -10.929 -5.696 2.625 1.00 1.00 C ATOM 501 C LYS A 233 -11.729 -6.975 2.390 1.00 1.00 C ATOM 502 O LYS A 233 -11.860 -7.815 3.282 1.00 1.00 O ATOM 503 CB LYS A 233 -11.862 -4.527 2.975 1.00 1.00 C ATOM 504 CG LYS A 233 -12.894 -4.837 4.048 1.00 1.00 C ATOM 505 CD LYS A 233 -14.276 -5.041 3.447 1.00 1.00 C ATOM 506 CE LYS A 233 -15.356 -5.062 4.517 1.00 1.00 C ATOM 507 NZ LYS A 233 -16.675 -5.464 3.961 1.00 1.00 N ATOM 0 H LYS A 233 -10.392 -4.463 1.023 1.00 1.00 H new ATOM 0 HA LYS A 233 -10.253 -5.870 3.462 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -11.256 -3.683 3.305 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -12.382 -4.211 2.070 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -12.597 -5.733 4.593 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -12.927 -4.021 4.770 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -14.485 -4.243 2.735 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -14.296 -5.978 2.891 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -15.069 -5.753 5.309 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -15.438 -4.074 4.970 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -17.386 -5.467 4.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -16.960 -4.790 3.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -16.603 -6.417 3.551 1.00 1.00 H new ATOM 521 N MET A 234 -12.263 -7.113 1.183 1.00 1.00 N ATOM 522 CA MET A 234 -13.042 -8.291 0.825 1.00 1.00 C ATOM 523 C MET A 234 -12.128 -9.488 0.585 1.00 1.00 C ATOM 524 O MET A 234 -12.523 -10.635 0.800 1.00 1.00 O ATOM 525 CB MET A 234 -13.889 -8.027 -0.421 1.00 1.00 C ATOM 526 CG MET A 234 -14.965 -9.076 -0.648 1.00 1.00 C ATOM 527 SD MET A 234 -16.236 -9.041 0.632 1.00 1.00 S ATOM 528 CE MET A 234 -16.797 -10.743 0.599 1.00 1.00 C ATOM 0 H MET A 234 -12.171 -6.424 0.436 1.00 1.00 H new ATOM 0 HA MET A 234 -13.708 -8.516 1.658 1.00 1.00 H new ATOM 0 HB2 MET A 234 -14.359 -7.048 -0.332 1.00 1.00 H new ATOM 0 HB3 MET A 234 -13.237 -7.990 -1.294 1.00 1.00 H new ATOM 0 HG2 MET A 234 -15.428 -8.914 -1.621 1.00 1.00 H new ATOM 0 HG3 MET A 234 -14.506 -10.064 -0.674 1.00 1.00 H new ATOM 0 HE1 MET A 234 -17.586 -10.880 1.338 1.00 1.00 H new ATOM 0 HE2 MET A 234 -17.183 -10.980 -0.392 1.00 1.00 H new ATOM 0 HE3 MET A 234 -15.963 -11.406 0.831 1.00 1.00 H new ATOM 538 N ASN A 235 -10.907 -9.212 0.141 1.00 1.00 N ATOM 539 CA ASN A 235 -9.928 -10.260 -0.125 1.00 1.00 C ATOM 540 C ASN A 235 -9.508 -10.933 1.177 1.00 1.00 C ATOM 541 O ASN A 235 -9.454 -12.157 1.268 1.00 1.00 O ATOM 542 CB ASN A 235 -8.700 -9.680 -0.836 1.00 1.00 C ATOM 543 CG ASN A 235 -7.699 -10.746 -1.250 1.00 1.00 C ATOM 544 OD1 ASN A 235 -8.070 -11.873 -1.574 1.00 1.00 O ATOM 545 ND2 ASN A 235 -6.420 -10.395 -1.245 1.00 1.00 N ATOM 0 H ASN A 235 -10.570 -8.267 -0.043 1.00 1.00 H new ATOM 0 HA ASN A 235 -10.388 -11.004 -0.775 1.00 1.00 H new ATOM 0 HB2 ASN A 235 -9.024 -9.130 -1.720 1.00 1.00 H new ATOM 0 HB3 ASN A 235 -8.209 -8.964 -0.177 1.00 1.00 H new ATOM 0 HD21 ASN A 235 -5.705 -11.070 -1.516 1.00 1.00 H new ATOM 0 HD22 ASN A 235 -6.152 -9.450 -0.970 1.00 1.00 H new ATOM 552 N GLY A 236 -9.202 -10.122 2.180 1.00 1.00 N ATOM 553 CA GLY A 236 -8.797 -10.650 3.469 1.00 1.00 C ATOM 554 C GLY A 236 -7.296 -10.813 3.581 1.00 1.00 C ATOM 555 O GLY A 236 -6.717 -10.584 4.644 1.00 1.00 O ATOM 0 H GLY A 236 -9.227 -9.104 2.124 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -9.147 -9.984 4.258 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -9.277 -11.615 3.630 1.00 1.00 H new ATOM 559 N GLN A 237 -6.667 -11.214 2.486 1.00 1.00 N ATOM 560 CA GLN A 237 -5.225 -11.407 2.454 1.00 1.00 C ATOM 561 C GLN A 237 -4.530 -10.130 2.001 1.00 1.00 C ATOM 562 O GLN A 237 -5.113 -9.322 1.273 1.00 1.00 O ATOM 563 CB GLN A 237 -4.862 -12.562 1.519 1.00 1.00 C ATOM 564 CG GLN A 237 -5.367 -13.913 1.998 1.00 1.00 C ATOM 565 CD GLN A 237 -5.039 -15.027 1.027 1.00 1.00 C ATOM 566 OE1 GLN A 237 -5.824 -15.332 0.126 1.00 1.00 O ATOM 567 NE2 GLN A 237 -3.883 -15.645 1.205 1.00 1.00 N ATOM 0 H GLN A 237 -7.136 -11.413 1.603 1.00 1.00 H new ATOM 0 HA GLN A 237 -4.887 -11.652 3.461 1.00 1.00 H new ATOM 0 HB2 GLN A 237 -5.272 -12.360 0.529 1.00 1.00 H new ATOM 0 HB3 GLN A 237 -3.778 -12.605 1.412 1.00 1.00 H new ATOM 0 HG2 GLN A 237 -4.927 -14.139 2.969 1.00 1.00 H new ATOM 0 HG3 GLN A 237 -6.447 -13.865 2.141 1.00 1.00 H new ATOM 0 HE21 GLN A 237 -3.264 -15.360 1.964 1.00 1.00 H new ATOM 0 HE22 GLN A 237 -3.611 -16.407 0.584 1.00 1.00 H new ATOM 576 N ASN A 238 -3.289 -9.953 2.435 1.00 1.00 N ATOM 577 CA ASN A 238 -2.517 -8.773 2.076 1.00 1.00 C ATOM 578 C ASN A 238 -2.007 -8.884 0.647 1.00 1.00 C ATOM 579 O ASN A 238 -1.147 -9.746 0.391 1.00 1.00 O ATOM 580 CB ASN A 238 -1.344 -8.571 3.040 1.00 1.00 C ATOM 581 CG ASN A 238 -0.524 -7.342 2.690 1.00 1.00 C ATOM 582 OD1 ASN A 238 -0.885 -6.218 3.042 1.00 1.00 O ATOM 583 ND2 ASN A 238 0.590 -7.548 2.006 1.00 1.00 N ATOM 0 H ASN A 238 -2.796 -10.613 3.037 1.00 1.00 H new ATOM 0 HA ASN A 238 -3.174 -7.907 2.149 1.00 1.00 H new ATOM 0 HB2 ASN A 238 -1.723 -8.476 4.057 1.00 1.00 H new ATOM 0 HB3 ASN A 238 -0.703 -9.452 3.020 1.00 1.00 H new ATOM 0 HD21 ASN A 238 1.185 -6.760 1.751 1.00 1.00 H new ATOM 0 HD22 ASN A 238 0.853 -8.495 1.734 1.00 1.00 H new TER 590 ASN A 238 ATOM 591 N GLY B 1 26.778 -5.838 12.729 1.00 1.00 N ATOM 592 CA GLY B 1 27.254 -5.387 11.401 1.00 1.00 C ATOM 593 C GLY B 1 26.171 -5.496 10.350 1.00 1.00 C ATOM 594 O GLY B 1 24.991 -5.633 10.687 1.00 1.00 O ATOM 0 H1 GLY B 1 26.933 -5.084 13.428 1.00 1.00 H new ATOM 0 H2 GLY B 1 25.763 -6.059 12.677 1.00 1.00 H new ATOM 0 H3 GLY B 1 27.303 -6.689 13.015 1.00 1.00 H new ATOM 0 HA2 GLY B 1 27.593 -4.353 11.468 1.00 1.00 H new ATOM 0 HA3 GLY B 1 28.114 -5.986 11.100 1.00 1.00 H new ATOM 600 N SER B 2 26.572 -5.439 9.080 1.00 1.00 N ATOM 601 CA SER B 2 25.640 -5.528 7.959 1.00 1.00 C ATOM 602 C SER B 2 24.587 -4.415 8.023 1.00 1.00 C ATOM 603 O SER B 2 24.814 -3.367 8.636 1.00 1.00 O ATOM 604 CB SER B 2 24.986 -6.911 7.937 1.00 1.00 C ATOM 605 OG SER B 2 25.970 -7.935 7.960 1.00 1.00 O ATOM 0 H SER B 2 27.547 -5.330 8.802 1.00 1.00 H new ATOM 0 HA SER B 2 26.196 -5.391 7.031 1.00 1.00 H new ATOM 0 HB2 SER B 2 24.323 -7.018 8.795 1.00 1.00 H new ATOM 0 HB3 SER B 2 24.370 -7.013 7.044 1.00 1.00 H new ATOM 0 HG SER B 2 25.531 -8.811 7.947 1.00 1.00 H new ATOM 611 N LEU B 3 23.454 -4.626 7.367 1.00 1.00 N ATOM 612 CA LEU B 3 22.383 -3.638 7.362 1.00 1.00 C ATOM 613 C LEU B 3 21.124 -4.207 8.010 1.00 1.00 C ATOM 614 O LEU B 3 20.863 -3.958 9.185 1.00 1.00 O ATOM 615 CB LEU B 3 22.088 -3.181 5.930 1.00 1.00 C ATOM 616 CG LEU B 3 21.074 -2.041 5.800 1.00 1.00 C ATOM 617 CD1 LEU B 3 21.548 -0.812 6.563 1.00 1.00 C ATOM 618 CD2 LEU B 3 20.846 -1.702 4.333 1.00 1.00 C ATOM 0 H LEU B 3 23.253 -5.471 6.832 1.00 1.00 H new ATOM 0 HA LEU B 3 22.707 -2.775 7.943 1.00 1.00 H new ATOM 0 HB2 LEU B 3 23.023 -2.867 5.467 1.00 1.00 H new ATOM 0 HB3 LEU B 3 21.722 -4.036 5.362 1.00 1.00 H new ATOM 0 HG LEU B 3 20.129 -2.369 6.233 1.00 1.00 H new ATOM 0 HD11 LEU B 3 20.814 -0.013 6.458 1.00 1.00 H new ATOM 0 HD12 LEU B 3 21.665 -1.061 7.618 1.00 1.00 H new ATOM 0 HD13 LEU B 3 22.505 -0.480 6.160 1.00 1.00 H new ATOM 0 HD21 LEU B 3 20.123 -0.890 4.255 1.00 1.00 H new ATOM 0 HD22 LEU B 3 21.788 -1.393 3.880 1.00 1.00 H new ATOM 0 HD23 LEU B 3 20.463 -2.580 3.812 1.00 1.00 H new ATOM 630 N LEU B 4 20.348 -4.960 7.225 1.00 1.00 N ATOM 631 CA LEU B 4 19.108 -5.591 7.694 1.00 1.00 C ATOM 632 C LEU B 4 18.093 -4.554 8.179 1.00 1.00 C ATOM 633 O LEU B 4 17.164 -4.876 8.924 1.00 1.00 O ATOM 634 CB LEU B 4 19.399 -6.605 8.812 1.00 1.00 C ATOM 635 CG LEU B 4 19.934 -7.967 8.354 1.00 1.00 C ATOM 636 CD1 LEU B 4 19.089 -8.523 7.223 1.00 1.00 C ATOM 637 CD2 LEU B 4 21.394 -7.869 7.933 1.00 1.00 C ATOM 0 H LEU B 4 20.561 -5.150 6.246 1.00 1.00 H new ATOM 0 HA LEU B 4 18.673 -6.116 6.844 1.00 1.00 H new ATOM 0 HB2 LEU B 4 20.122 -6.164 9.498 1.00 1.00 H new ATOM 0 HB3 LEU B 4 18.481 -6.768 9.377 1.00 1.00 H new ATOM 0 HG LEU B 4 19.872 -8.652 9.199 1.00 1.00 H new ATOM 0 HD11 LEU B 4 19.486 -9.490 6.913 1.00 1.00 H new ATOM 0 HD12 LEU B 4 18.061 -8.645 7.563 1.00 1.00 H new ATOM 0 HD13 LEU B 4 19.112 -7.834 6.379 1.00 1.00 H new ATOM 0 HD21 LEU B 4 21.747 -8.849 7.613 1.00 1.00 H new ATOM 0 HD22 LEU B 4 21.488 -7.162 7.108 1.00 1.00 H new ATOM 0 HD23 LEU B 4 21.993 -7.525 8.776 1.00 1.00 H new ATOM 649 N LYS B 5 18.261 -3.317 7.737 1.00 1.00 N ATOM 650 CA LYS B 5 17.366 -2.241 8.131 1.00 1.00 C ATOM 651 C LYS B 5 16.900 -1.461 6.907 1.00 1.00 C ATOM 652 O LYS B 5 17.715 -1.053 6.080 1.00 1.00 O ATOM 653 CB LYS B 5 18.062 -1.302 9.121 1.00 1.00 C ATOM 654 CG LYS B 5 18.170 -1.862 10.534 1.00 1.00 C ATOM 655 CD LYS B 5 16.853 -1.737 11.288 1.00 1.00 C ATOM 656 CE LYS B 5 16.124 -3.067 11.375 1.00 1.00 C ATOM 657 NZ LYS B 5 14.756 -2.914 11.931 1.00 1.00 N ATOM 0 H LYS B 5 19.010 -3.034 7.105 1.00 1.00 H new ATOM 0 HA LYS B 5 16.495 -2.679 8.618 1.00 1.00 H new ATOM 0 HB2 LYS B 5 19.063 -1.079 8.752 1.00 1.00 H new ATOM 0 HB3 LYS B 5 17.517 -0.358 9.156 1.00 1.00 H new ATOM 0 HG2 LYS B 5 18.466 -2.910 10.489 1.00 1.00 H new ATOM 0 HG3 LYS B 5 18.953 -1.332 11.077 1.00 1.00 H new ATOM 0 HD2 LYS B 5 17.044 -1.361 12.293 1.00 1.00 H new ATOM 0 HD3 LYS B 5 16.217 -1.006 10.789 1.00 1.00 H new ATOM 0 HE2 LYS B 5 16.064 -3.514 10.383 1.00 1.00 H new ATOM 0 HE3 LYS B 5 16.695 -3.754 12.000 1.00 1.00 H new ATOM 0 HZ1 LYS B 5 14.293 -3.844 11.974 1.00 1.00 H new ATOM 0 HZ2 LYS B 5 14.813 -2.511 12.888 1.00 1.00 H new ATOM 0 HZ3 LYS B 5 14.202 -2.279 11.321 1.00 1.00 H new ATOM 671 N PRO B 6 15.580 -1.268 6.767 1.00 1.00 N ATOM 672 CA PRO B 6 14.997 -0.535 5.638 1.00 1.00 C ATOM 673 C PRO B 6 15.392 0.940 5.637 1.00 1.00 C ATOM 674 O PRO B 6 15.045 1.693 6.549 1.00 1.00 O ATOM 675 CB PRO B 6 13.483 -0.681 5.842 1.00 1.00 C ATOM 676 CG PRO B 6 13.325 -1.805 6.809 1.00 1.00 C ATOM 677 CD PRO B 6 14.542 -1.763 7.684 1.00 1.00 C ATOM 0 HA PRO B 6 15.347 -0.928 4.683 1.00 1.00 H new ATOM 0 HB2 PRO B 6 13.048 0.239 6.233 1.00 1.00 H new ATOM 0 HB3 PRO B 6 12.978 -0.898 4.901 1.00 1.00 H new ATOM 0 HG2 PRO B 6 12.415 -1.689 7.398 1.00 1.00 H new ATOM 0 HG3 PRO B 6 13.249 -2.760 6.290 1.00 1.00 H new ATOM 0 HD2 PRO B 6 14.405 -1.099 8.537 1.00 1.00 H new ATOM 0 HD3 PRO B 6 14.789 -2.747 8.082 1.00 1.00 H new ATOM 685 N ALA B 7 16.120 1.345 4.610 1.00 1.00 N ATOM 686 CA ALA B 7 16.558 2.726 4.483 1.00 1.00 C ATOM 687 C ALA B 7 15.814 3.428 3.354 1.00 1.00 C ATOM 688 O ALA B 7 15.826 4.656 3.251 1.00 1.00 O ATOM 689 CB ALA B 7 18.060 2.785 4.249 1.00 1.00 C ATOM 0 H ALA B 7 16.421 0.736 3.850 1.00 1.00 H new ATOM 0 HA ALA B 7 16.330 3.245 5.414 1.00 1.00 H new ATOM 0 HB1 ALA B 7 18.373 3.825 4.156 1.00 1.00 H new ATOM 0 HB2 ALA B 7 18.578 2.324 5.090 1.00 1.00 H new ATOM 0 HB3 ALA B 7 18.307 2.248 3.333 1.00 1.00 H new ATOM 695 N ARG B 8 15.175 2.644 2.499 1.00 1.00 N ATOM 696 CA ARG B 8 14.423 3.190 1.379 1.00 1.00 C ATOM 697 C ARG B 8 12.939 2.886 1.542 1.00 1.00 C ATOM 698 O ARG B 8 12.561 1.760 1.862 1.00 1.00 O ATOM 699 CB ARG B 8 14.938 2.617 0.056 1.00 1.00 C ATOM 700 CG ARG B 8 16.415 2.883 -0.192 1.00 1.00 C ATOM 701 CD ARG B 8 16.718 4.374 -0.195 1.00 1.00 C ATOM 702 NE ARG B 8 18.154 4.649 -0.161 1.00 1.00 N ATOM 703 CZ ARG B 8 18.751 5.369 0.791 1.00 1.00 C ATOM 704 NH1 ARG B 8 18.043 5.842 1.812 1.00 1.00 N ATOM 705 NH2 ARG B 8 20.054 5.605 0.734 1.00 1.00 N ATOM 0 H ARG B 8 15.162 1.626 2.559 1.00 1.00 H new ATOM 0 HA ARG B 8 14.561 4.271 1.365 1.00 1.00 H new ATOM 0 HB2 ARG B 8 14.765 1.541 0.044 1.00 1.00 H new ATOM 0 HB3 ARG B 8 14.359 3.042 -0.764 1.00 1.00 H new ATOM 0 HG2 ARG B 8 17.009 2.391 0.578 1.00 1.00 H new ATOM 0 HG3 ARG B 8 16.709 2.449 -1.147 1.00 1.00 H new ATOM 0 HD2 ARG B 8 16.284 4.829 -1.086 1.00 1.00 H new ATOM 0 HD3 ARG B 8 16.240 4.841 0.666 1.00 1.00 H new ATOM 0 HE ARG B 8 18.733 4.268 -0.909 1.00 1.00 H new ATOM 0 HH11 ARG B 8 17.042 5.655 1.869 1.00 1.00 H new ATOM 0 HH12 ARG B 8 18.501 6.392 2.539 1.00 1.00 H new ATOM 0 HH21 ARG B 8 20.606 5.236 -0.040 1.00 1.00 H new ATOM 0 HH22 ARG B 8 20.505 6.156 1.464 1.00 1.00 H new ATOM 719 N PHE B 9 12.106 3.895 1.330 1.00 1.00 N ATOM 720 CA PHE B 9 10.660 3.739 1.462 1.00 1.00 C ATOM 721 C PHE B 9 9.952 3.973 0.129 1.00 1.00 C ATOM 722 O PHE B 9 8.726 4.002 0.065 1.00 1.00 O ATOM 723 CB PHE B 9 10.120 4.709 2.520 1.00 1.00 C ATOM 724 CG PHE B 9 10.854 6.024 2.571 1.00 1.00 C ATOM 725 CD1 PHE B 9 10.615 7.009 1.623 1.00 1.00 C ATOM 726 CD2 PHE B 9 11.787 6.271 3.566 1.00 1.00 C ATOM 727 CE1 PHE B 9 11.293 8.213 1.669 1.00 1.00 C ATOM 728 CE2 PHE B 9 12.466 7.473 3.614 1.00 1.00 C ATOM 729 CZ PHE B 9 12.219 8.444 2.665 1.00 1.00 C ATOM 0 H PHE B 9 12.405 4.833 1.065 1.00 1.00 H new ATOM 0 HA PHE B 9 10.460 2.714 1.776 1.00 1.00 H new ATOM 0 HB2 PHE B 9 9.066 4.900 2.320 1.00 1.00 H new ATOM 0 HB3 PHE B 9 10.178 4.233 3.499 1.00 1.00 H new ATOM 0 HD1 PHE B 9 9.891 6.833 0.841 1.00 1.00 H new ATOM 0 HD2 PHE B 9 11.985 5.515 4.312 1.00 1.00 H new ATOM 0 HE1 PHE B 9 11.098 8.972 0.926 1.00 1.00 H new ATOM 0 HE2 PHE B 9 13.190 7.653 4.395 1.00 1.00 H new ATOM 0 HZ PHE B 9 12.750 9.384 2.702 1.00 1.00 H new ATOM 739 N MET B 10 10.732 4.134 -0.929 1.00 1.00 N ATOM 740 CA MET B 10 10.181 4.369 -2.256 1.00 1.00 C ATOM 741 C MET B 10 10.998 3.627 -3.302 1.00 1.00 C ATOM 742 O MET B 10 12.172 3.936 -3.516 1.00 1.00 O ATOM 743 CB MET B 10 10.157 5.870 -2.566 1.00 1.00 C ATOM 744 CG MET B 10 9.691 6.201 -3.976 1.00 1.00 C ATOM 745 SD MET B 10 9.540 7.976 -4.261 1.00 1.00 S ATOM 746 CE MET B 10 9.292 8.006 -6.036 1.00 1.00 C ATOM 0 H MET B 10 11.751 4.106 -0.895 1.00 1.00 H new ATOM 0 HA MET B 10 9.158 3.994 -2.280 1.00 1.00 H new ATOM 0 HB2 MET B 10 9.502 6.368 -1.851 1.00 1.00 H new ATOM 0 HB3 MET B 10 11.157 6.277 -2.419 1.00 1.00 H new ATOM 0 HG2 MET B 10 10.394 5.780 -4.695 1.00 1.00 H new ATOM 0 HG3 MET B 10 8.727 5.725 -4.157 1.00 1.00 H new ATOM 0 HE1 MET B 10 9.181 9.037 -6.370 1.00 1.00 H new ATOM 0 HE2 MET B 10 10.152 7.555 -6.531 1.00 1.00 H new ATOM 0 HE3 MET B 10 8.392 7.444 -6.287 1.00 1.00 H new ATOM 756 N CYS B 11 10.384 2.630 -3.924 1.00 1.00 N ATOM 757 CA CYS B 11 11.043 1.839 -4.948 1.00 1.00 C ATOM 758 C CYS B 11 11.221 2.639 -6.236 1.00 1.00 C ATOM 759 O CYS B 11 10.260 3.194 -6.779 1.00 1.00 O ATOM 760 CB CYS B 11 10.225 0.581 -5.211 1.00 1.00 C ATOM 761 SG CYS B 11 8.882 0.331 -4.003 1.00 1.00 S ATOM 0 H CYS B 11 9.422 2.350 -3.733 1.00 1.00 H new ATOM 0 HA CYS B 11 12.036 1.563 -4.594 1.00 1.00 H new ATOM 0 HB2 CYS B 11 9.798 0.636 -6.213 1.00 1.00 H new ATOM 0 HB3 CYS B 11 10.887 -0.285 -5.193 1.00 1.00 H new ATOM 766 N LEU B 12 12.458 2.690 -6.713 1.00 1.00 N ATOM 767 CA LEU B 12 12.786 3.408 -7.937 1.00 1.00 C ATOM 768 C LEU B 12 12.149 2.757 -9.178 1.00 1.00 C ATOM 769 O LEU B 12 11.600 3.475 -10.016 1.00 1.00 O ATOM 770 CB LEU B 12 14.304 3.516 -8.118 1.00 1.00 C ATOM 771 CG LEU B 12 14.979 4.627 -7.306 1.00 1.00 C ATOM 772 CD1 LEU B 12 15.186 4.199 -5.860 1.00 1.00 C ATOM 773 CD2 LEU B 12 16.302 5.022 -7.943 1.00 1.00 C ATOM 0 H LEU B 12 13.256 2.239 -6.266 1.00 1.00 H new ATOM 0 HA LEU B 12 12.369 4.410 -7.838 1.00 1.00 H new ATOM 0 HB2 LEU B 12 14.755 2.562 -7.845 1.00 1.00 H new ATOM 0 HB3 LEU B 12 14.518 3.679 -9.174 1.00 1.00 H new ATOM 0 HG LEU B 12 14.321 5.496 -7.307 1.00 1.00 H new ATOM 0 HD11 LEU B 12 15.667 5.006 -5.307 1.00 1.00 H new ATOM 0 HD12 LEU B 12 14.221 3.972 -5.406 1.00 1.00 H new ATOM 0 HD13 LEU B 12 15.819 3.312 -5.830 1.00 1.00 H new ATOM 0 HD21 LEU B 12 16.768 5.812 -7.354 1.00 1.00 H new ATOM 0 HD22 LEU B 12 16.963 4.156 -7.976 1.00 1.00 H new ATOM 0 HD23 LEU B 12 16.125 5.382 -8.957 1.00 1.00 H new ATOM 785 N PRO B 13 12.226 1.403 -9.339 1.00 1.00 N ATOM 786 CA PRO B 13 11.629 0.712 -10.493 1.00 1.00 C ATOM 787 C PRO B 13 10.187 1.143 -10.752 1.00 1.00 C ATOM 788 O PRO B 13 9.830 1.491 -11.879 1.00 1.00 O ATOM 789 CB PRO B 13 11.682 -0.762 -10.091 1.00 1.00 C ATOM 790 CG PRO B 13 12.861 -0.856 -9.190 1.00 1.00 C ATOM 791 CD PRO B 13 12.917 0.447 -8.443 1.00 1.00 C ATOM 0 HA PRO B 13 12.160 0.936 -11.418 1.00 1.00 H new ATOM 0 HB2 PRO B 13 10.768 -1.069 -9.583 1.00 1.00 H new ATOM 0 HB3 PRO B 13 11.795 -1.408 -10.962 1.00 1.00 H new ATOM 0 HG2 PRO B 13 12.761 -1.696 -8.502 1.00 1.00 H new ATOM 0 HG3 PRO B 13 13.776 -1.018 -9.760 1.00 1.00 H new ATOM 0 HD2 PRO B 13 12.419 0.375 -7.476 1.00 1.00 H new ATOM 0 HD3 PRO B 13 13.945 0.753 -8.250 1.00 1.00 H new ATOM 799 N CYS B 14 9.363 1.111 -9.709 1.00 1.00 N ATOM 800 CA CYS B 14 7.974 1.518 -9.821 1.00 1.00 C ATOM 801 C CYS B 14 7.882 3.000 -10.177 1.00 1.00 C ATOM 802 O CYS B 14 7.247 3.382 -11.159 1.00 1.00 O ATOM 803 CB CYS B 14 7.259 1.251 -8.498 1.00 1.00 C ATOM 804 SG CYS B 14 7.851 -0.239 -7.635 1.00 1.00 S ATOM 0 H CYS B 14 9.638 0.806 -8.775 1.00 1.00 H new ATOM 0 HA CYS B 14 7.496 0.943 -10.614 1.00 1.00 H new ATOM 0 HB2 CYS B 14 7.388 2.114 -7.845 1.00 1.00 H new ATOM 0 HB3 CYS B 14 6.190 1.151 -8.686 1.00 1.00 H new ATOM 809 N GLY B 15 8.519 3.827 -9.359 1.00 1.00 N ATOM 810 CA GLY B 15 8.510 5.257 -9.593 1.00 1.00 C ATOM 811 C GLY B 15 7.326 5.937 -8.940 1.00 1.00 C ATOM 812 O GLY B 15 7.237 7.167 -8.917 1.00 1.00 O ATOM 0 H GLY B 15 9.043 3.532 -8.535 1.00 1.00 H new ATOM 0 HA2 GLY B 15 9.433 5.692 -9.210 1.00 1.00 H new ATOM 0 HA3 GLY B 15 8.490 5.447 -10.666 1.00 1.00 H new ATOM 816 N ILE B 16 6.408 5.134 -8.421 1.00 1.00 N ATOM 817 CA ILE B 16 5.227 5.652 -7.751 1.00 1.00 C ATOM 818 C ILE B 16 5.621 6.280 -6.416 1.00 1.00 C ATOM 819 O ILE B 16 6.234 5.630 -5.568 1.00 1.00 O ATOM 820 CB ILE B 16 4.166 4.546 -7.525 1.00 1.00 C ATOM 821 CG1 ILE B 16 3.560 4.101 -8.857 1.00 1.00 C ATOM 822 CG2 ILE B 16 3.064 5.026 -6.595 1.00 1.00 C ATOM 823 CD1 ILE B 16 4.278 2.935 -9.499 1.00 1.00 C ATOM 0 H ILE B 16 6.461 4.116 -8.452 1.00 1.00 H new ATOM 0 HA ILE B 16 4.783 6.411 -8.395 1.00 1.00 H new ATOM 0 HB ILE B 16 4.667 3.697 -7.060 1.00 1.00 H new ATOM 0 HG12 ILE B 16 2.517 3.829 -8.697 1.00 1.00 H new ATOM 0 HG13 ILE B 16 3.567 4.944 -9.548 1.00 1.00 H new ATOM 0 HG21 ILE B 16 2.334 4.229 -6.455 1.00 1.00 H new ATOM 0 HG22 ILE B 16 3.494 5.298 -5.631 1.00 1.00 H new ATOM 0 HG23 ILE B 16 2.573 5.896 -7.031 1.00 1.00 H new ATOM 0 HD11 ILE B 16 3.789 2.679 -10.439 1.00 1.00 H new ATOM 0 HD12 ILE B 16 5.315 3.208 -9.693 1.00 1.00 H new ATOM 0 HD13 ILE B 16 4.248 2.076 -8.829 1.00 1.00 H new ATOM 835 N ALA B 17 5.282 7.552 -6.251 1.00 1.00 N ATOM 836 CA ALA B 17 5.608 8.283 -5.036 1.00 1.00 C ATOM 837 C ALA B 17 4.820 7.755 -3.848 1.00 1.00 C ATOM 838 O ALA B 17 3.613 7.523 -3.944 1.00 1.00 O ATOM 839 CB ALA B 17 5.336 9.765 -5.226 1.00 1.00 C ATOM 0 H ALA B 17 4.779 8.100 -6.948 1.00 1.00 H new ATOM 0 HA ALA B 17 6.669 8.138 -4.830 1.00 1.00 H new ATOM 0 HB1 ALA B 17 5.584 10.301 -4.310 1.00 1.00 H new ATOM 0 HB2 ALA B 17 5.947 10.145 -6.045 1.00 1.00 H new ATOM 0 HB3 ALA B 17 4.282 9.914 -5.460 1.00 1.00 H new ATOM 845 N PHE B 18 5.508 7.572 -2.732 1.00 1.00 N ATOM 846 CA PHE B 18 4.880 7.074 -1.522 1.00 1.00 C ATOM 847 C PHE B 18 5.406 7.824 -0.306 1.00 1.00 C ATOM 848 O PHE B 18 6.580 8.196 -0.258 1.00 1.00 O ATOM 849 CB PHE B 18 5.143 5.576 -1.367 1.00 1.00 C ATOM 850 CG PHE B 18 3.893 4.772 -1.172 1.00 1.00 C ATOM 851 CD1 PHE B 18 3.182 4.294 -2.260 1.00 1.00 C ATOM 852 CD2 PHE B 18 3.427 4.498 0.100 1.00 1.00 C ATOM 853 CE1 PHE B 18 2.029 3.558 -2.080 1.00 1.00 C ATOM 854 CE2 PHE B 18 2.274 3.764 0.286 1.00 1.00 C ATOM 855 CZ PHE B 18 1.574 3.292 -0.805 1.00 1.00 C ATOM 0 H PHE B 18 6.506 7.762 -2.641 1.00 1.00 H new ATOM 0 HA PHE B 18 3.805 7.237 -1.597 1.00 1.00 H new ATOM 0 HB2 PHE B 18 5.666 5.213 -2.251 1.00 1.00 H new ATOM 0 HB3 PHE B 18 5.806 5.417 -0.516 1.00 1.00 H new ATOM 0 HD1 PHE B 18 3.534 4.500 -3.260 1.00 1.00 H new ATOM 0 HD2 PHE B 18 3.972 4.863 0.958 1.00 1.00 H new ATOM 0 HE1 PHE B 18 1.483 3.190 -2.936 1.00 1.00 H new ATOM 0 HE2 PHE B 18 1.919 3.559 1.285 1.00 1.00 H new ATOM 0 HZ PHE B 18 0.672 2.716 -0.661 1.00 1.00 H new ATOM 865 N SER B 19 4.532 8.070 0.657 1.00 1.00 N ATOM 866 CA SER B 19 4.914 8.766 1.876 1.00 1.00 C ATOM 867 C SER B 19 4.490 7.957 3.098 1.00 1.00 C ATOM 868 O SER B 19 5.136 8.004 4.146 1.00 1.00 O ATOM 869 CB SER B 19 4.278 10.158 1.914 1.00 1.00 C ATOM 870 OG SER B 19 3.850 10.559 0.619 1.00 1.00 O ATOM 0 H SER B 19 3.550 7.797 0.618 1.00 1.00 H new ATOM 0 HA SER B 19 5.998 8.879 1.890 1.00 1.00 H new ATOM 0 HB2 SER B 19 3.428 10.155 2.597 1.00 1.00 H new ATOM 0 HB3 SER B 19 4.997 10.879 2.303 1.00 1.00 H new ATOM 0 HG SER B 19 2.879 10.688 0.621 1.00 1.00 H new ATOM 876 N SER B 20 3.402 7.211 2.950 1.00 1.00 N ATOM 877 CA SER B 20 2.879 6.382 4.024 1.00 1.00 C ATOM 878 C SER B 20 3.601 5.032 4.080 1.00 1.00 C ATOM 879 O SER B 20 3.443 4.196 3.193 1.00 1.00 O ATOM 880 CB SER B 20 1.379 6.167 3.818 1.00 1.00 C ATOM 881 OG SER B 20 0.746 7.359 3.369 1.00 1.00 O ATOM 0 H SER B 20 2.861 7.165 2.086 1.00 1.00 H new ATOM 0 HA SER B 20 3.049 6.893 4.971 1.00 1.00 H new ATOM 0 HB2 SER B 20 1.219 5.371 3.091 1.00 1.00 H new ATOM 0 HB3 SER B 20 0.924 5.840 4.753 1.00 1.00 H new ATOM 0 HG SER B 20 0.937 7.492 2.417 1.00 1.00 H new ATOM 887 N PRO B 21 4.397 4.795 5.134 1.00 1.00 N ATOM 888 CA PRO B 21 5.143 3.543 5.293 1.00 1.00 C ATOM 889 C PRO B 21 4.263 2.400 5.791 1.00 1.00 C ATOM 890 O PRO B 21 4.668 1.237 5.784 1.00 1.00 O ATOM 891 CB PRO B 21 6.198 3.907 6.335 1.00 1.00 C ATOM 892 CG PRO B 21 5.552 4.958 7.172 1.00 1.00 C ATOM 893 CD PRO B 21 4.634 5.727 6.255 1.00 1.00 C ATOM 0 HA PRO B 21 5.556 3.184 4.351 1.00 1.00 H new ATOM 0 HB2 PRO B 21 6.479 3.041 6.934 1.00 1.00 H new ATOM 0 HB3 PRO B 21 7.108 4.279 5.865 1.00 1.00 H new ATOM 0 HG2 PRO B 21 4.994 4.511 7.995 1.00 1.00 H new ATOM 0 HG3 PRO B 21 6.300 5.616 7.615 1.00 1.00 H new ATOM 0 HD2 PRO B 21 3.704 5.997 6.755 1.00 1.00 H new ATOM 0 HD3 PRO B 21 5.094 6.655 5.914 1.00 1.00 H new ATOM 901 N SER B 22 3.048 2.739 6.196 1.00 1.00 N ATOM 902 CA SER B 22 2.098 1.766 6.711 1.00 1.00 C ATOM 903 C SER B 22 1.402 0.993 5.585 1.00 1.00 C ATOM 904 O SER B 22 0.458 0.241 5.831 1.00 1.00 O ATOM 905 CB SER B 22 1.060 2.493 7.564 1.00 1.00 C ATOM 906 OG SER B 22 1.453 3.841 7.788 1.00 1.00 O ATOM 0 H SER B 22 2.694 3.695 6.177 1.00 1.00 H new ATOM 0 HA SER B 22 2.643 1.039 7.313 1.00 1.00 H new ATOM 0 HB2 SER B 22 0.091 2.469 7.066 1.00 1.00 H new ATOM 0 HB3 SER B 22 0.941 1.980 8.518 1.00 1.00 H new ATOM 0 HG SER B 22 0.776 4.293 8.334 1.00 1.00 H new ATOM 912 N THR B 23 1.858 1.186 4.355 1.00 1.00 N ATOM 913 CA THR B 23 1.269 0.499 3.216 1.00 1.00 C ATOM 914 C THR B 23 2.340 -0.067 2.284 1.00 1.00 C ATOM 915 O THR B 23 2.061 -0.386 1.128 1.00 1.00 O ATOM 916 CB THR B 23 0.351 1.447 2.423 1.00 1.00 C ATOM 917 OG1 THR B 23 0.500 2.791 2.905 1.00 1.00 O ATOM 918 CG2 THR B 23 -1.103 1.019 2.547 1.00 1.00 C ATOM 0 H THR B 23 2.631 1.810 4.122 1.00 1.00 H new ATOM 0 HA THR B 23 0.681 -0.330 3.611 1.00 1.00 H new ATOM 0 HB THR B 23 0.639 1.403 1.373 1.00 1.00 H new ATOM 0 HG1 THR B 23 -0.086 3.388 2.395 1.00 1.00 H new ATOM 0 HG21 THR B 23 -1.733 1.703 1.979 1.00 1.00 H new ATOM 0 HG22 THR B 23 -1.219 0.008 2.156 1.00 1.00 H new ATOM 0 HG23 THR B 23 -1.400 1.038 3.596 1.00 1.00 H new ATOM 926 N LEU B 24 3.559 -0.217 2.797 1.00 1.00 N ATOM 927 CA LEU B 24 4.669 -0.739 2.000 1.00 1.00 C ATOM 928 C LEU B 24 4.427 -2.191 1.595 1.00 1.00 C ATOM 929 O LEU B 24 4.740 -2.593 0.473 1.00 1.00 O ATOM 930 CB LEU B 24 5.984 -0.627 2.776 1.00 1.00 C ATOM 931 CG LEU B 24 6.476 0.801 3.027 1.00 1.00 C ATOM 932 CD1 LEU B 24 7.748 0.794 3.860 1.00 1.00 C ATOM 933 CD2 LEU B 24 6.706 1.528 1.711 1.00 1.00 C ATOM 0 H LEU B 24 3.804 0.015 3.760 1.00 1.00 H new ATOM 0 HA LEU B 24 4.736 -0.138 1.093 1.00 1.00 H new ATOM 0 HB2 LEU B 24 5.863 -1.126 3.737 1.00 1.00 H new ATOM 0 HB3 LEU B 24 6.756 -1.169 2.230 1.00 1.00 H new ATOM 0 HG LEU B 24 5.705 1.333 3.584 1.00 1.00 H new ATOM 0 HD11 LEU B 24 8.080 1.819 4.026 1.00 1.00 H new ATOM 0 HD12 LEU B 24 7.552 0.316 4.820 1.00 1.00 H new ATOM 0 HD13 LEU B 24 8.526 0.242 3.332 1.00 1.00 H new ATOM 0 HD21 LEU B 24 7.055 2.541 1.911 1.00 1.00 H new ATOM 0 HD22 LEU B 24 7.456 0.994 1.127 1.00 1.00 H new ATOM 0 HD23 LEU B 24 5.772 1.570 1.151 1.00 1.00 H new ATOM 945 N GLU B 25 3.836 -2.961 2.500 1.00 1.00 N ATOM 946 CA GLU B 25 3.558 -4.372 2.253 1.00 1.00 C ATOM 947 C GLU B 25 2.453 -4.543 1.210 1.00 1.00 C ATOM 948 O GLU B 25 2.348 -5.587 0.561 1.00 1.00 O ATOM 949 CB GLU B 25 3.162 -5.077 3.558 1.00 1.00 C ATOM 950 CG GLU B 25 1.861 -4.570 4.170 1.00 1.00 C ATOM 951 CD GLU B 25 2.067 -3.445 5.168 1.00 1.00 C ATOM 952 OE1 GLU B 25 2.669 -2.414 4.804 1.00 1.00 O ATOM 953 OE2 GLU B 25 1.608 -3.583 6.320 1.00 1.00 O ATOM 0 H GLU B 25 3.538 -2.630 3.418 1.00 1.00 H new ATOM 0 HA GLU B 25 4.468 -4.828 1.864 1.00 1.00 H new ATOM 0 HB2 GLU B 25 3.069 -6.146 3.367 1.00 1.00 H new ATOM 0 HB3 GLU B 25 3.965 -4.952 4.284 1.00 1.00 H new ATOM 0 HG2 GLU B 25 1.203 -4.224 3.373 1.00 1.00 H new ATOM 0 HG3 GLU B 25 1.353 -5.398 4.665 1.00 1.00 H new ATOM 960 N ALA B 26 1.626 -3.517 1.065 1.00 1.00 N ATOM 961 CA ALA B 26 0.533 -3.534 0.102 1.00 1.00 C ATOM 962 C ALA B 26 1.026 -3.032 -1.248 1.00 1.00 C ATOM 963 O ALA B 26 0.557 -3.473 -2.297 1.00 1.00 O ATOM 964 CB ALA B 26 -0.627 -2.695 0.614 1.00 1.00 C ATOM 0 H ALA B 26 1.692 -2.655 1.607 1.00 1.00 H new ATOM 0 HA ALA B 26 0.177 -4.556 -0.025 1.00 1.00 H new ATOM 0 HB1 ALA B 26 -1.439 -2.714 -0.113 1.00 1.00 H new ATOM 0 HB2 ALA B 26 -0.979 -3.101 1.562 1.00 1.00 H new ATOM 0 HB3 ALA B 26 -0.296 -1.667 0.761 1.00 1.00 H new ATOM 970 N HIS B 27 1.981 -2.111 -1.212 1.00 1.00 N ATOM 971 CA HIS B 27 2.559 -1.560 -2.430 1.00 1.00 C ATOM 972 C HIS B 27 3.443 -2.611 -3.093 1.00 1.00 C ATOM 973 O HIS B 27 3.377 -2.817 -4.306 1.00 1.00 O ATOM 974 CB HIS B 27 3.364 -0.288 -2.113 1.00 1.00 C ATOM 975 CG HIS B 27 4.063 0.315 -3.297 1.00 1.00 C ATOM 976 ND1 HIS B 27 3.582 1.381 -4.030 1.00 1.00 N ATOM 977 CD2 HIS B 27 5.245 -0.027 -3.868 1.00 1.00 C ATOM 978 CE1 HIS B 27 4.473 1.641 -5.004 1.00 1.00 C ATOM 979 NE2 HIS B 27 5.497 0.811 -4.945 1.00 1.00 N ATOM 0 H HIS B 27 2.372 -1.730 -0.350 1.00 1.00 H new ATOM 0 HA HIS B 27 1.759 -1.287 -3.118 1.00 1.00 H new ATOM 0 HB2 HIS B 27 2.691 0.456 -1.686 1.00 1.00 H new ATOM 0 HB3 HIS B 27 4.106 -0.523 -1.349 1.00 1.00 H new ATOM 0 HD1 HIS B 27 2.709 1.881 -3.863 1.00 1.00 H new ATOM 0 HD2 HIS B 27 5.890 -0.827 -3.536 1.00 1.00 H new ATOM 0 HE1 HIS B 27 4.364 2.426 -5.738 1.00 1.00 H new ATOM 987 N GLN B 28 4.238 -3.294 -2.272 1.00 1.00 N ATOM 988 CA GLN B 28 5.149 -4.334 -2.745 1.00 1.00 C ATOM 989 C GLN B 28 4.385 -5.612 -3.091 1.00 1.00 C ATOM 990 O GLN B 28 4.731 -6.702 -2.626 1.00 1.00 O ATOM 991 CB GLN B 28 6.195 -4.635 -1.668 1.00 1.00 C ATOM 992 CG GLN B 28 7.620 -4.660 -2.189 1.00 1.00 C ATOM 993 CD GLN B 28 8.405 -3.427 -1.793 1.00 1.00 C ATOM 994 OE1 GLN B 28 9.053 -3.399 -0.743 1.00 1.00 O ATOM 995 NE2 GLN B 28 8.354 -2.405 -2.625 1.00 1.00 N ATOM 0 H GLN B 28 4.269 -3.143 -1.264 1.00 1.00 H new ATOM 0 HA GLN B 28 5.644 -3.973 -3.646 1.00 1.00 H new ATOM 0 HB2 GLN B 28 6.119 -3.885 -0.881 1.00 1.00 H new ATOM 0 HB3 GLN B 28 5.967 -5.599 -1.213 1.00 1.00 H new ATOM 0 HG2 GLN B 28 8.127 -5.547 -1.809 1.00 1.00 H new ATOM 0 HG3 GLN B 28 7.605 -4.743 -3.276 1.00 1.00 H new ATOM 0 HE21 GLN B 28 7.805 -2.472 -3.482 1.00 1.00 H new ATOM 0 HE22 GLN B 28 8.863 -1.547 -2.411 1.00 1.00 H new ATOM 1004 N ALA B 29 3.350 -5.471 -3.906 1.00 1.00 N ATOM 1005 CA ALA B 29 2.527 -6.598 -4.312 1.00 1.00 C ATOM 1006 C ALA B 29 1.681 -6.248 -5.525 1.00 1.00 C ATOM 1007 O ALA B 29 1.701 -6.953 -6.536 1.00 1.00 O ATOM 1008 CB ALA B 29 1.625 -7.034 -3.168 1.00 1.00 C ATOM 0 H ALA B 29 3.059 -4.577 -4.302 1.00 1.00 H new ATOM 0 HA ALA B 29 3.193 -7.419 -4.578 1.00 1.00 H new ATOM 0 HB1 ALA B 29 1.015 -7.879 -3.487 1.00 1.00 H new ATOM 0 HB2 ALA B 29 2.236 -7.330 -2.315 1.00 1.00 H new ATOM 0 HB3 ALA B 29 0.977 -6.206 -2.880 1.00 1.00 H new ATOM 1014 N TYR B 30 0.937 -5.154 -5.418 1.00 1.00 N ATOM 1015 CA TYR B 30 0.060 -4.725 -6.498 1.00 1.00 C ATOM 1016 C TYR B 30 0.698 -3.640 -7.357 1.00 1.00 C ATOM 1017 O TYR B 30 0.237 -3.373 -8.468 1.00 1.00 O ATOM 1018 CB TYR B 30 -1.263 -4.219 -5.930 1.00 1.00 C ATOM 1019 CG TYR B 30 -1.944 -5.201 -5.000 1.00 1.00 C ATOM 1020 CD1 TYR B 30 -2.697 -6.257 -5.498 1.00 1.00 C ATOM 1021 CD2 TYR B 30 -1.836 -5.068 -3.621 1.00 1.00 C ATOM 1022 CE1 TYR B 30 -3.327 -7.147 -4.649 1.00 1.00 C ATOM 1023 CE2 TYR B 30 -2.459 -5.955 -2.766 1.00 1.00 C ATOM 1024 CZ TYR B 30 -3.204 -6.994 -3.284 1.00 1.00 C ATOM 1025 OH TYR B 30 -3.834 -7.877 -2.435 1.00 1.00 O ATOM 0 H TYR B 30 0.924 -4.550 -4.596 1.00 1.00 H new ATOM 0 HA TYR B 30 -0.118 -5.592 -7.135 1.00 1.00 H new ATOM 0 HB2 TYR B 30 -1.084 -3.288 -5.392 1.00 1.00 H new ATOM 0 HB3 TYR B 30 -1.937 -3.987 -6.755 1.00 1.00 H new ATOM 0 HD1 TYR B 30 -2.792 -6.384 -6.566 1.00 1.00 H new ATOM 0 HD2 TYR B 30 -1.254 -4.256 -3.211 1.00 1.00 H new ATOM 0 HE1 TYR B 30 -3.913 -7.959 -5.053 1.00 1.00 H new ATOM 0 HE2 TYR B 30 -2.364 -5.836 -1.697 1.00 1.00 H new ATOM 0 HH TYR B 30 -3.645 -7.629 -1.506 1.00 1.00 H new ATOM 1035 N TYR B 31 1.743 -3.002 -6.847 1.00 1.00 N ATOM 1036 CA TYR B 31 2.413 -1.958 -7.602 1.00 1.00 C ATOM 1037 C TYR B 31 3.810 -2.396 -8.012 1.00 1.00 C ATOM 1038 O TYR B 31 4.193 -2.238 -9.173 1.00 1.00 O ATOM 1039 CB TYR B 31 2.454 -0.644 -6.824 1.00 1.00 C ATOM 1040 CG TYR B 31 1.707 0.467 -7.528 1.00 1.00 C ATOM 1041 CD1 TYR B 31 1.559 0.450 -8.910 1.00 1.00 C ATOM 1042 CD2 TYR B 31 1.141 1.523 -6.823 1.00 1.00 C ATOM 1043 CE1 TYR B 31 0.876 1.449 -9.568 1.00 1.00 C ATOM 1044 CE2 TYR B 31 0.453 2.529 -7.478 1.00 1.00 C ATOM 1045 CZ TYR B 31 0.325 2.486 -8.851 1.00 1.00 C ATOM 1046 OH TYR B 31 -0.355 3.482 -9.511 1.00 1.00 O ATOM 0 H TYR B 31 2.139 -3.187 -5.926 1.00 1.00 H new ATOM 0 HA TYR B 31 1.835 -1.783 -8.509 1.00 1.00 H new ATOM 0 HB2 TYR B 31 2.023 -0.797 -5.834 1.00 1.00 H new ATOM 0 HB3 TYR B 31 3.492 -0.344 -6.677 1.00 1.00 H new ATOM 0 HD1 TYR B 31 1.988 -0.362 -9.479 1.00 1.00 H new ATOM 0 HD2 TYR B 31 1.240 1.559 -5.748 1.00 1.00 H new ATOM 0 HE1 TYR B 31 0.773 1.418 -10.643 1.00 1.00 H new ATOM 0 HE2 TYR B 31 0.019 3.344 -6.917 1.00 1.00 H new ATOM 0 HH TYR B 31 -0.765 3.116 -10.322 1.00 1.00 H new ATOM 1056 N CYS B 32 4.582 -2.922 -7.065 1.00 1.00 N ATOM 1057 CA CYS B 32 5.916 -3.413 -7.375 1.00 1.00 C ATOM 1058 C CYS B 32 5.800 -4.749 -8.104 1.00 1.00 C ATOM 1059 O CYS B 32 5.723 -5.806 -7.468 1.00 1.00 O ATOM 1060 CB CYS B 32 6.743 -3.580 -6.099 1.00 1.00 C ATOM 1061 SG CYS B 32 6.693 -2.144 -4.982 1.00 1.00 S ATOM 0 H CYS B 32 4.308 -3.018 -6.087 1.00 1.00 H new ATOM 0 HA CYS B 32 6.422 -2.689 -8.013 1.00 1.00 H new ATOM 0 HB2 CYS B 32 6.385 -4.457 -5.560 1.00 1.00 H new ATOM 0 HB3 CYS B 32 7.779 -3.776 -6.374 1.00 1.00 H new ATOM 1066 N SER B 33 5.774 -4.689 -9.432 1.00 1.00 N ATOM 1067 CA SER B 33 5.644 -5.879 -10.264 1.00 1.00 C ATOM 1068 C SER B 33 4.333 -6.604 -9.935 1.00 1.00 C ATOM 1069 O SER B 33 3.285 -5.970 -9.797 1.00 1.00 O ATOM 1070 CB SER B 33 6.858 -6.796 -10.064 1.00 1.00 C ATOM 1071 OG SER B 33 8.068 -6.052 -10.095 1.00 1.00 O ATOM 0 H SER B 33 5.842 -3.818 -9.959 1.00 1.00 H new ATOM 0 HA SER B 33 5.615 -5.588 -11.314 1.00 1.00 H new ATOM 0 HB2 SER B 33 6.772 -7.317 -9.111 1.00 1.00 H new ATOM 0 HB3 SER B 33 6.875 -7.558 -10.843 1.00 1.00 H new ATOM 0 HG SER B 33 8.828 -6.657 -9.964 1.00 1.00 H new ATOM 1077 N HIS B 34 4.377 -7.923 -9.823 1.00 1.00 N ATOM 1078 CA HIS B 34 3.187 -8.690 -9.492 1.00 1.00 C ATOM 1079 C HIS B 34 3.499 -9.672 -8.376 1.00 1.00 C ATOM 1080 O HIS B 34 4.557 -10.303 -8.375 1.00 1.00 O ATOM 1081 CB HIS B 34 2.657 -9.432 -10.718 1.00 1.00 C ATOM 1082 CG HIS B 34 1.831 -8.574 -11.625 1.00 1.00 C ATOM 1083 ND1 HIS B 34 2.228 -8.224 -12.896 1.00 1.00 N ATOM 1084 CD2 HIS B 34 0.622 -8.000 -11.441 1.00 1.00 C ATOM 1085 CE1 HIS B 34 1.300 -7.470 -13.453 1.00 1.00 C ATOM 1086 NE2 HIS B 34 0.315 -7.319 -12.591 1.00 1.00 N ATOM 0 H HIS B 34 5.220 -8.482 -9.956 1.00 1.00 H new ATOM 0 HA HIS B 34 2.414 -8.000 -9.155 1.00 1.00 H new ATOM 0 HB2 HIS B 34 3.499 -9.836 -11.280 1.00 1.00 H new ATOM 0 HB3 HIS B 34 2.058 -10.280 -10.388 1.00 1.00 H new ATOM 0 HD2 HIS B 34 0.011 -8.065 -10.553 1.00 1.00 H new ATOM 0 HE1 HIS B 34 1.341 -7.048 -14.446 1.00 1.00 H new ATOM 0 HE2 HIS B 34 -0.537 -6.783 -12.753 1.00 1.00 H new ATOM 1095 N ARG B 35 2.594 -9.779 -7.418 1.00 1.00 N ATOM 1096 CA ARG B 35 2.781 -10.684 -6.295 1.00 1.00 C ATOM 1097 C ARG B 35 1.451 -11.296 -5.870 1.00 1.00 C ATOM 1098 O ARG B 35 0.543 -10.588 -5.435 1.00 1.00 O ATOM 1099 CB ARG B 35 3.416 -9.940 -5.113 1.00 1.00 C ATOM 1100 CG ARG B 35 3.905 -10.854 -3.998 1.00 1.00 C ATOM 1101 CD ARG B 35 3.192 -10.573 -2.682 1.00 1.00 C ATOM 1102 NE ARG B 35 1.820 -11.082 -2.673 1.00 1.00 N ATOM 1103 CZ ARG B 35 0.872 -10.658 -1.839 1.00 1.00 C ATOM 1104 NH1 ARG B 35 1.135 -9.716 -0.945 1.00 1.00 N ATOM 1105 NH2 ARG B 35 -0.346 -11.183 -1.888 1.00 1.00 N ATOM 0 H ARG B 35 1.722 -9.251 -7.395 1.00 1.00 H new ATOM 0 HA ARG B 35 3.448 -11.486 -6.610 1.00 1.00 H new ATOM 0 HB2 ARG B 35 4.255 -9.348 -5.478 1.00 1.00 H new ATOM 0 HB3 ARG B 35 2.687 -9.241 -4.703 1.00 1.00 H new ATOM 0 HG2 ARG B 35 3.744 -11.894 -4.284 1.00 1.00 H new ATOM 0 HG3 ARG B 35 4.979 -10.722 -3.865 1.00 1.00 H new ATOM 0 HD2 ARG B 35 3.751 -11.028 -1.864 1.00 1.00 H new ATOM 0 HD3 ARG B 35 3.179 -9.498 -2.501 1.00 1.00 H new ATOM 0 HE ARG B 35 1.574 -11.807 -3.347 1.00 1.00 H new ATOM 0 HH11 ARG B 35 2.069 -9.310 -0.892 1.00 1.00 H new ATOM 0 HH12 ARG B 35 0.403 -9.397 -0.310 1.00 1.00 H new ATOM 0 HH21 ARG B 35 -0.559 -11.914 -2.566 1.00 1.00 H new ATOM 0 HH22 ARG B 35 -1.069 -10.855 -1.247 1.00 1.00 H new ATOM 1119 N ILE B 36 1.335 -12.609 -6.008 1.00 1.00 N ATOM 1120 CA ILE B 36 0.124 -13.309 -5.613 1.00 1.00 C ATOM 1121 C ILE B 36 0.221 -13.713 -4.144 1.00 1.00 C ATOM 1122 O ILE B 36 -0.713 -13.414 -3.376 1.00 1.00 O ATOM 1123 CB ILE B 36 -0.149 -14.550 -6.505 1.00 1.00 C ATOM 1124 CG1 ILE B 36 -1.369 -15.322 -5.992 1.00 1.00 C ATOM 1125 CG2 ILE B 36 1.075 -15.458 -6.576 1.00 1.00 C ATOM 1126 CD1 ILE B 36 -1.783 -16.471 -6.886 1.00 1.00 C ATOM 1127 OXT ILE B 36 1.263 -14.279 -3.748 1.00 1.00 O ATOM 0 H ILE B 36 2.065 -13.210 -6.391 1.00 1.00 H new ATOM 0 HA ILE B 36 -0.717 -12.629 -5.748 1.00 1.00 H new ATOM 0 HB ILE B 36 -0.362 -14.199 -7.515 1.00 1.00 H new ATOM 0 HG12 ILE B 36 -1.151 -15.708 -4.996 1.00 1.00 H new ATOM 0 HG13 ILE B 36 -2.207 -14.633 -5.890 1.00 1.00 H new ATOM 0 HG21 ILE B 36 0.854 -16.318 -7.208 1.00 1.00 H new ATOM 0 HG22 ILE B 36 1.914 -14.905 -6.997 1.00 1.00 H new ATOM 0 HG23 ILE B 36 1.333 -15.800 -5.574 1.00 1.00 H new ATOM 0 HD11 ILE B 36 -2.653 -16.970 -6.458 1.00 1.00 H new ATOM 0 HD12 ILE B 36 -2.034 -16.090 -7.876 1.00 1.00 H new ATOM 0 HD13 ILE B 36 -0.961 -17.182 -6.969 1.00 1.00 H new TER 1139 ILE B 36 HETATM 1140 ZN ZN A 244 -6.537 2.938 -5.140 1.00 1.00 ZN HETATM 1141 ZN ZN B 37 7.184 0.074 -5.501 1.00 1.00 ZN