USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 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 65 TYR OH : rot 180:sc= 0.245 USER MOD Set 1.2: A 69 LYS NZ :NH3+ 178:sc= 1.8 (180deg=1.34) USER MOD Single : A 7 TYR OH : rot -109:sc= 1.04 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.672 F(o=-1.4,f=-0.67) USER MOD Single : A 11 GLN : amide:sc= -1.07 K(o=-1.1,f=-9!) USER MOD Single : A 15 SER OG : rot -88:sc= 0.984 USER MOD Single : A 17 MET CE :methyl 171:sc= -1.11 (180deg=-1.24) USER MOD Single : A 18 MET CE :methyl 174:sc= 0 (180deg=-0.0454) USER MOD Single : A 28 GLN : amide:sc= -0.616 K(o=-0.62,f=-2.2!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0344 X(o=-0.034,f=-0.018) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot 156:sc= -0.46 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -62:sc= 1.41 USER MOD Single : A 62 TYR OH : rot 114:sc= -4.18! USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 1.05 K(o=1,f=-3.5!) USER MOD Single : A 73 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.097) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -100:sc= -0.167 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.061 -6.845 7.082 1.00 0.00 N ATOM 93 CA TYR A 7 6.838 -6.098 6.937 1.00 0.00 C ATOM 94 C TYR A 7 5.642 -6.987 7.228 1.00 0.00 C ATOM 95 O TYR A 7 5.665 -8.190 6.969 1.00 0.00 O ATOM 96 CB TYR A 7 6.745 -5.494 5.534 1.00 0.00 C ATOM 97 CG TYR A 7 6.310 -6.472 4.478 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.198 -7.389 3.928 1.00 0.00 C ATOM 99 CD2 TYR A 7 4.995 -6.491 4.053 1.00 0.00 C ATOM 100 CE1 TYR A 7 6.776 -8.297 2.980 1.00 0.00 C ATOM 101 CE2 TYR A 7 4.565 -7.394 3.112 1.00 0.00 C ATOM 102 CZ TYR A 7 5.459 -8.300 2.574 1.00 0.00 C ATOM 103 OH TYR A 7 5.035 -9.223 1.643 1.00 0.00 O ATOM 0 HA TYR A 7 6.837 -5.280 7.657 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.044 -4.660 5.554 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.718 -5.086 5.259 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.230 -7.390 4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.293 -5.783 4.468 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.475 -9.003 2.557 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.533 -7.396 2.794 1.00 0.00 H new ATOM 0 HH TYR A 7 4.846 -8.769 0.795 1.00 0.00 H new ATOM 113 N GLN A 8 4.610 -6.384 7.779 1.00 0.00 N ATOM 114 CA GLN A 8 3.420 -7.104 8.171 1.00 0.00 C ATOM 115 C GLN A 8 2.188 -6.380 7.657 1.00 0.00 C ATOM 116 O GLN A 8 2.090 -5.151 7.719 1.00 0.00 O ATOM 117 CB GLN A 8 3.334 -7.268 9.697 1.00 0.00 C ATOM 118 CG GLN A 8 4.334 -8.262 10.292 1.00 0.00 C ATOM 119 CD GLN A 8 5.779 -7.778 10.319 1.00 0.00 C ATOM 120 OE1 GLN A 8 6.000 -6.498 10.579 1.00 0.00 O flip ATOM 121 NE2 GLN A 8 6.704 -8.574 10.167 1.00 0.00 N flip ATOM 0 H GLN A 8 4.574 -5.382 7.967 1.00 0.00 H new ATOM 0 HA GLN A 8 3.470 -8.100 7.732 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.490 -6.295 10.162 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.325 -7.588 9.958 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.026 -8.499 11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.287 -9.189 9.720 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.506 -9.554 9.968 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.670 -8.254 10.240 1.00 0.00 H new ATOM 130 N ILE A 9 1.279 -7.151 7.121 1.00 0.00 N ATOM 131 CA ILE A 9 0.023 -6.639 6.611 1.00 0.00 C ATOM 132 C ILE A 9 -1.112 -6.902 7.593 1.00 0.00 C ATOM 133 O ILE A 9 -1.341 -8.045 8.002 1.00 0.00 O ATOM 134 CB ILE A 9 -0.323 -7.276 5.253 1.00 0.00 C ATOM 135 CG1 ILE A 9 0.736 -6.895 4.216 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.709 -6.852 4.800 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.327 -7.167 2.787 1.00 0.00 C ATOM 0 H ILE A 9 1.385 -8.161 7.023 1.00 0.00 H new ATOM 0 HA ILE A 9 0.141 -5.563 6.480 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.328 -8.361 5.361 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.967 -5.835 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.653 -7.444 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.934 -7.313 3.838 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.446 -7.171 5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.743 -5.767 4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.132 -6.869 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.125 -8.231 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.572 -6.597 2.551 1.00 0.00 H new ATOM 149 N GLU A 10 -1.810 -5.843 7.978 1.00 0.00 N ATOM 150 CA GLU A 10 -2.965 -5.969 8.849 1.00 0.00 C ATOM 151 C GLU A 10 -4.198 -5.398 8.161 1.00 0.00 C ATOM 152 O GLU A 10 -4.096 -4.688 7.156 1.00 0.00 O ATOM 153 CB GLU A 10 -2.727 -5.238 10.172 1.00 0.00 C ATOM 154 CG GLU A 10 -2.993 -3.738 10.115 1.00 0.00 C ATOM 155 CD GLU A 10 -3.012 -3.095 11.488 1.00 0.00 C ATOM 156 OE1 GLU A 10 -2.849 -3.822 12.494 1.00 0.00 O ATOM 157 OE2 GLU A 10 -3.172 -1.861 11.569 1.00 0.00 O ATOM 0 H GLU A 10 -1.594 -4.886 7.699 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.124 -7.027 9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.365 -5.680 10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.695 -5.401 10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.226 -3.260 9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.949 -3.561 9.622 1.00 0.00 H new ATOM 164 N GLN A 11 -5.360 -5.711 8.705 1.00 0.00 N ATOM 165 CA GLN A 11 -6.602 -5.180 8.190 1.00 0.00 C ATOM 166 C GLN A 11 -6.911 -3.840 8.834 1.00 0.00 C ATOM 167 O GLN A 11 -6.922 -3.697 10.058 1.00 0.00 O ATOM 168 CB GLN A 11 -7.737 -6.182 8.405 1.00 0.00 C ATOM 169 CG GLN A 11 -9.138 -5.612 8.195 1.00 0.00 C ATOM 170 CD GLN A 11 -9.307 -4.945 6.844 1.00 0.00 C ATOM 171 OE1 GLN A 11 -10.066 -3.992 6.697 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.600 -5.440 5.849 1.00 0.00 N ATOM 0 H GLN A 11 -5.466 -6.333 9.506 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.501 -5.017 7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.595 -7.022 7.725 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.668 -6.577 9.419 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.870 -6.414 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.352 -4.888 8.981 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.979 -6.233 6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.673 -5.030 4.918 1.00 0.00 H new ATOM 181 N LEU A 12 -7.161 -2.870 7.971 1.00 0.00 N ATOM 182 CA LEU A 12 -7.362 -1.487 8.370 1.00 0.00 C ATOM 183 C LEU A 12 -8.665 -1.320 9.149 1.00 0.00 C ATOM 184 O LEU A 12 -8.697 -0.687 10.203 1.00 0.00 O ATOM 185 CB LEU A 12 -7.391 -0.631 7.114 1.00 0.00 C ATOM 186 CG LEU A 12 -6.917 0.811 7.254 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.318 1.086 8.629 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.889 1.091 6.178 1.00 0.00 C ATOM 0 H LEU A 12 -7.231 -3.021 6.965 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.548 -1.177 9.025 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.777 -1.118 6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.413 -0.617 6.736 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.779 1.469 7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.994 2.125 8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.069 0.899 9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.463 0.430 8.791 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.541 2.120 6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.045 0.411 6.295 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.340 0.944 5.197 1.00 0.00 H new ATOM 200 N GLY A 13 -9.735 -1.895 8.617 1.00 0.00 N ATOM 201 CA GLY A 13 -11.036 -1.777 9.240 1.00 0.00 C ATOM 202 C GLY A 13 -12.021 -2.762 8.654 1.00 0.00 C ATOM 203 O GLY A 13 -12.223 -3.847 9.201 1.00 0.00 O ATOM 0 H GLY A 13 -9.723 -2.445 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.944 -1.947 10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.413 -0.763 9.109 1.00 0.00 H new ATOM 207 N ASP A 14 -12.618 -2.398 7.530 1.00 0.00 N ATOM 208 CA ASP A 14 -13.583 -3.264 6.866 1.00 0.00 C ATOM 209 C ASP A 14 -13.113 -3.643 5.464 1.00 0.00 C ATOM 210 O ASP A 14 -13.182 -4.808 5.072 1.00 0.00 O ATOM 211 CB ASP A 14 -14.949 -2.583 6.787 1.00 0.00 C ATOM 212 CG ASP A 14 -14.949 -1.372 5.873 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.174 -0.429 6.127 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.714 -1.363 4.888 1.00 0.00 O ATOM 0 H ASP A 14 -12.452 -1.509 7.058 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.671 -4.175 7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.688 -3.301 6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.256 -2.278 7.787 1.00 0.00 H new ATOM 219 N SER A 15 -12.618 -2.663 4.719 1.00 0.00 N ATOM 220 CA SER A 15 -12.270 -2.872 3.323 1.00 0.00 C ATOM 221 C SER A 15 -11.065 -2.032 2.935 1.00 0.00 C ATOM 222 O SER A 15 -11.034 -1.402 1.879 1.00 0.00 O ATOM 223 CB SER A 15 -13.463 -2.534 2.435 1.00 0.00 C ATOM 224 OG SER A 15 -13.992 -1.253 2.747 1.00 0.00 O ATOM 0 H SER A 15 -12.449 -1.716 5.060 1.00 0.00 H new ATOM 0 HA SER A 15 -12.009 -3.921 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.159 -2.559 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.238 -3.290 2.560 1.00 0.00 H new ATOM 0 HG SER A 15 -14.661 -1.340 3.458 1.00 0.00 H new ATOM 230 N ALA A 16 -10.082 -2.019 3.808 1.00 0.00 N ATOM 231 CA ALA A 16 -8.849 -1.296 3.564 1.00 0.00 C ATOM 232 C ALA A 16 -7.684 -2.071 4.156 1.00 0.00 C ATOM 233 O ALA A 16 -7.871 -2.878 5.062 1.00 0.00 O ATOM 234 CB ALA A 16 -8.922 0.110 4.143 1.00 0.00 C ATOM 0 H ALA A 16 -10.112 -2.506 4.704 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.698 -1.198 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.986 0.633 3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.745 0.653 3.678 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.088 0.052 5.219 1.00 0.00 H new ATOM 240 N MET A 17 -6.493 -1.839 3.644 1.00 0.00 N ATOM 241 CA MET A 17 -5.319 -2.598 4.083 1.00 0.00 C ATOM 242 C MET A 17 -4.179 -1.680 4.491 1.00 0.00 C ATOM 243 O MET A 17 -3.877 -0.719 3.797 1.00 0.00 O ATOM 244 CB MET A 17 -4.863 -3.538 2.965 1.00 0.00 C ATOM 245 CG MET A 17 -3.499 -4.149 3.177 1.00 0.00 C ATOM 246 SD MET A 17 -3.180 -5.526 2.062 1.00 0.00 S ATOM 247 CE MET A 17 -3.347 -4.724 0.473 1.00 0.00 C ATOM 0 H MET A 17 -6.303 -1.138 2.928 1.00 0.00 H new ATOM 0 HA MET A 17 -5.603 -3.182 4.959 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.594 -4.340 2.861 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.858 -2.987 2.024 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.736 -3.385 3.033 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.415 -4.493 4.208 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.023 -5.405 -0.314 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.390 -4.452 0.310 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.730 -3.825 0.452 1.00 0.00 H new ATOM 257 N MET A 18 -3.545 -1.968 5.621 1.00 0.00 N ATOM 258 CA MET A 18 -2.375 -1.193 6.017 1.00 0.00 C ATOM 259 C MET A 18 -1.175 -2.106 6.268 1.00 0.00 C ATOM 260 O MET A 18 -1.272 -3.101 6.992 1.00 0.00 O ATOM 261 CB MET A 18 -2.646 -0.315 7.237 1.00 0.00 C ATOM 262 CG MET A 18 -1.492 0.627 7.548 1.00 0.00 C ATOM 263 SD MET A 18 -1.961 2.000 8.615 1.00 0.00 S ATOM 264 CE MET A 18 -2.430 1.124 10.098 1.00 0.00 C ATOM 0 H MET A 18 -3.812 -2.713 6.265 1.00 0.00 H new ATOM 0 HA MET A 18 -2.141 -0.527 5.186 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.551 0.269 7.066 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.835 -0.950 8.102 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.690 0.063 8.025 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.093 1.022 6.614 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.644 1.840 10.891 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.318 0.524 9.901 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.614 0.472 10.409 1.00 0.00 H new ATOM 274 N ILE A 19 -0.049 -1.755 5.659 1.00 0.00 N ATOM 275 CA ILE A 19 1.151 -2.588 5.683 1.00 0.00 C ATOM 276 C ILE A 19 2.330 -1.842 6.293 1.00 0.00 C ATOM 277 O ILE A 19 2.767 -0.832 5.751 1.00 0.00 O ATOM 278 CB ILE A 19 1.551 -2.996 4.253 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.387 -3.657 3.535 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.741 -3.938 4.284 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.324 -3.317 2.064 1.00 0.00 C ATOM 0 H ILE A 19 0.060 -0.887 5.135 1.00 0.00 H new ATOM 0 HA ILE A 19 0.916 -3.466 6.284 1.00 0.00 H new ATOM 0 HB ILE A 19 1.828 -2.093 3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.466 -4.738 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.545 -3.353 4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.011 -4.217 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.586 -3.441 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.482 -4.834 4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.530 -3.821 1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.215 -2.239 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.241 -3.645 1.575 1.00 0.00 H new ATOM 293 N ARG A 20 2.867 -2.348 7.392 1.00 0.00 N ATOM 294 CA ARG A 20 4.040 -1.731 8.000 1.00 0.00 C ATOM 295 C ARG A 20 5.274 -2.557 7.676 1.00 0.00 C ATOM 296 O ARG A 20 5.213 -3.781 7.674 1.00 0.00 O ATOM 297 CB ARG A 20 3.883 -1.589 9.527 1.00 0.00 C ATOM 298 CG ARG A 20 4.207 -2.847 10.331 1.00 0.00 C ATOM 299 CD ARG A 20 3.137 -3.916 10.197 1.00 0.00 C ATOM 300 NE ARG A 20 1.813 -3.428 10.537 1.00 0.00 N ATOM 301 CZ ARG A 20 1.078 -3.876 11.556 1.00 0.00 C ATOM 302 NH1 ARG A 20 1.518 -4.861 12.327 1.00 0.00 N ATOM 303 NH2 ARG A 20 -0.100 -3.332 11.805 1.00 0.00 N ATOM 0 H ARG A 20 2.517 -3.174 7.878 1.00 0.00 H new ATOM 0 HA ARG A 20 4.148 -0.728 7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.529 -0.781 9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.857 -1.291 9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.163 -3.251 9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.322 -2.583 11.382 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.130 -4.291 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.387 -4.758 10.843 1.00 0.00 H new ATOM 0 HE ARG A 20 1.416 -2.690 9.955 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.428 -5.285 12.144 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.947 -5.195 13.103 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.445 -2.572 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.665 -3.672 12.583 1.00 0.00 H new ATOM 317 N PHE A 21 6.381 -1.897 7.383 1.00 0.00 N ATOM 318 CA PHE A 21 7.630 -2.598 7.115 1.00 0.00 C ATOM 319 C PHE A 21 8.574 -2.431 8.296 1.00 0.00 C ATOM 320 O PHE A 21 8.138 -2.253 9.433 1.00 0.00 O ATOM 321 CB PHE A 21 8.314 -2.073 5.849 1.00 0.00 C ATOM 322 CG PHE A 21 7.491 -2.143 4.587 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.404 -1.310 4.401 1.00 0.00 C ATOM 324 CD2 PHE A 21 7.833 -3.019 3.571 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.672 -1.346 3.238 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.099 -3.066 2.404 1.00 0.00 C ATOM 327 CZ PHE A 21 6.016 -2.228 2.236 1.00 0.00 C ATOM 0 H PHE A 21 6.443 -0.881 7.324 1.00 0.00 H new ATOM 0 HA PHE A 21 7.393 -3.651 6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.602 -1.035 6.017 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.233 -2.637 5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.125 -0.619 5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.684 -3.673 3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.828 -0.684 3.109 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.372 -3.759 1.622 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.440 -2.263 1.323 1.00 0.00 H new ATOM 422 N GLN A 28 15.597 2.087 2.891 1.00 0.00 N ATOM 423 CA GLN A 28 14.877 1.498 1.769 1.00 0.00 C ATOM 424 C GLN A 28 13.374 1.670 1.969 1.00 0.00 C ATOM 425 O GLN A 28 12.687 2.219 1.112 1.00 0.00 O ATOM 426 CB GLN A 28 15.250 0.019 1.640 1.00 0.00 C ATOM 427 CG GLN A 28 14.683 -0.654 0.408 1.00 0.00 C ATOM 428 CD GLN A 28 13.285 -1.204 0.620 1.00 0.00 C ATOM 429 OE1 GLN A 28 12.917 -1.574 1.732 1.00 0.00 O ATOM 430 NE2 GLN A 28 12.504 -1.271 -0.445 1.00 0.00 N ATOM 0 HA GLN A 28 15.156 2.006 0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.336 -0.071 1.623 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.900 -0.512 2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.664 0.062 -0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.345 -1.466 0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.848 -0.953 -1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 28 11.557 -1.641 -0.361 1.00 0.00 H new ATOM 439 N VAL A 29 12.880 1.220 3.116 1.00 0.00 N ATOM 440 CA VAL A 29 11.467 1.356 3.446 1.00 0.00 C ATOM 441 C VAL A 29 11.099 2.817 3.634 1.00 0.00 C ATOM 442 O VAL A 29 10.125 3.294 3.060 1.00 0.00 O ATOM 443 CB VAL A 29 11.100 0.584 4.730 1.00 0.00 C ATOM 444 CG1 VAL A 29 9.662 0.876 5.142 1.00 0.00 C ATOM 445 CG2 VAL A 29 11.308 -0.906 4.525 1.00 0.00 C ATOM 0 H VAL A 29 13.438 0.757 3.834 1.00 0.00 H new ATOM 0 HA VAL A 29 10.907 0.934 2.611 1.00 0.00 H new ATOM 0 HB VAL A 29 11.756 0.918 5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.424 0.322 6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.547 1.944 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.986 0.572 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.045 -1.439 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.675 -1.253 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.353 -1.097 4.281 1.00 0.00 H new ATOM 455 N ASN A 30 11.906 3.516 4.424 1.00 0.00 N ATOM 456 CA ASN A 30 11.663 4.917 4.766 1.00 0.00 C ATOM 457 C ASN A 30 11.435 5.774 3.522 1.00 0.00 C ATOM 458 O ASN A 30 10.601 6.681 3.526 1.00 0.00 O ATOM 459 CB ASN A 30 12.843 5.456 5.587 1.00 0.00 C ATOM 460 CG ASN A 30 12.766 6.947 5.853 1.00 0.00 C ATOM 461 OD1 ASN A 30 12.089 7.389 6.782 1.00 0.00 O ATOM 462 ND2 ASN A 30 13.493 7.729 5.069 1.00 0.00 N ATOM 0 H ASN A 30 12.749 3.129 4.847 1.00 0.00 H new ATOM 0 HA ASN A 30 10.752 4.970 5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.884 4.927 6.539 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.772 5.237 5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.506 8.737 5.224 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.040 7.323 4.310 1.00 0.00 H new ATOM 469 N GLY A 31 12.156 5.469 2.451 1.00 0.00 N ATOM 470 CA GLY A 31 11.994 6.216 1.224 1.00 0.00 C ATOM 471 C GLY A 31 10.936 5.615 0.322 1.00 0.00 C ATOM 472 O GLY A 31 10.202 6.337 -0.355 1.00 0.00 O ATOM 0 H GLY A 31 12.847 4.720 2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.725 7.245 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.945 6.249 0.693 1.00 0.00 H new ATOM 476 N ILE A 32 10.828 4.291 0.329 1.00 0.00 N ATOM 477 CA ILE A 32 9.935 3.609 -0.590 1.00 0.00 C ATOM 478 C ILE A 32 8.486 3.650 -0.118 1.00 0.00 C ATOM 479 O ILE A 32 7.593 3.652 -0.934 1.00 0.00 O ATOM 480 CB ILE A 32 10.377 2.149 -0.867 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.375 1.876 -2.382 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.507 1.133 -0.125 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.036 2.087 -3.077 1.00 0.00 C ATOM 0 H ILE A 32 11.345 3.676 0.957 1.00 0.00 H new ATOM 0 HA ILE A 32 9.997 4.157 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 32 11.392 2.030 -0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.116 2.522 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.696 0.848 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.854 0.124 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.576 1.310 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.470 1.240 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.139 1.869 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.291 1.422 -2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.718 3.122 -2.948 1.00 0.00 H new ATOM 495 N VAL A 33 8.238 3.709 1.182 1.00 0.00 N ATOM 496 CA VAL A 33 6.861 3.787 1.660 1.00 0.00 C ATOM 497 C VAL A 33 6.270 5.141 1.284 1.00 0.00 C ATOM 498 O VAL A 33 5.067 5.274 1.057 1.00 0.00 O ATOM 499 CB VAL A 33 6.746 3.543 3.179 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.508 4.587 3.959 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.289 3.500 3.604 1.00 0.00 C ATOM 0 H VAL A 33 8.951 3.705 1.911 1.00 0.00 H new ATOM 0 HA VAL A 33 6.295 2.991 1.177 1.00 0.00 H new ATOM 0 HB VAL A 33 7.194 2.575 3.401 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.408 4.389 5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.561 4.553 3.680 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.105 5.575 3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.228 3.327 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.811 4.449 3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.780 2.693 3.077 1.00 0.00 H new ATOM 511 N HIS A 34 7.144 6.137 1.186 1.00 0.00 N ATOM 512 CA HIS A 34 6.750 7.459 0.734 1.00 0.00 C ATOM 513 C HIS A 34 6.414 7.410 -0.754 1.00 0.00 C ATOM 514 O HIS A 34 5.452 8.031 -1.203 1.00 0.00 O ATOM 515 CB HIS A 34 7.878 8.464 0.986 1.00 0.00 C ATOM 516 CG HIS A 34 7.475 9.901 0.827 1.00 0.00 C ATOM 517 ND1 HIS A 34 7.389 10.768 1.892 1.00 0.00 N ATOM 518 CD2 HIS A 34 7.154 10.629 -0.272 1.00 0.00 C ATOM 519 CE1 HIS A 34 7.031 11.962 1.461 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.884 11.907 0.151 1.00 0.00 N ATOM 0 H HIS A 34 8.134 6.049 1.416 1.00 0.00 H new ATOM 0 HA HIS A 34 5.870 7.779 1.292 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.261 8.316 1.996 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.698 8.251 0.300 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.118 10.270 -1.290 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.883 12.837 2.077 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.614 12.686 -0.449 1.00 0.00 H new ATOM 529 N ALA A 35 7.205 6.650 -1.509 1.00 0.00 N ATOM 530 CA ALA A 35 7.018 6.550 -2.950 1.00 0.00 C ATOM 531 C ALA A 35 5.974 5.496 -3.296 1.00 0.00 C ATOM 532 O ALA A 35 5.388 5.533 -4.367 1.00 0.00 O ATOM 533 CB ALA A 35 8.342 6.229 -3.629 1.00 0.00 C ATOM 0 H ALA A 35 7.980 6.096 -1.145 1.00 0.00 H new ATOM 0 HA ALA A 35 6.657 7.512 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.190 6.157 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.061 7.020 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.724 5.280 -3.252 1.00 0.00 H new ATOM 539 N ALA A 36 5.743 4.574 -2.371 1.00 0.00 N ATOM 540 CA ALA A 36 4.836 3.451 -2.584 1.00 0.00 C ATOM 541 C ALA A 36 3.417 3.926 -2.776 1.00 0.00 C ATOM 542 O ALA A 36 2.624 3.275 -3.450 1.00 0.00 O ATOM 543 CB ALA A 36 4.899 2.479 -1.418 1.00 0.00 C ATOM 0 H ALA A 36 6.180 4.583 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 36 5.156 2.938 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.215 1.650 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.915 2.096 -1.318 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.613 2.993 -0.500 1.00 0.00 H new ATOM 549 N ALA A 37 3.105 5.073 -2.196 1.00 0.00 N ATOM 550 CA ALA A 37 1.797 5.661 -2.358 1.00 0.00 C ATOM 551 C ALA A 37 1.589 5.955 -3.832 1.00 0.00 C ATOM 552 O ALA A 37 0.553 5.636 -4.416 1.00 0.00 O ATOM 553 CB ALA A 37 1.679 6.931 -1.529 1.00 0.00 C ATOM 0 H ALA A 37 3.743 5.611 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 37 1.029 4.971 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.687 7.362 -1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.833 6.694 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.433 7.649 -1.853 1.00 0.00 H new ATOM 559 N ALA A 38 2.625 6.517 -4.435 1.00 0.00 N ATOM 560 CA ALA A 38 2.613 6.822 -5.848 1.00 0.00 C ATOM 561 C ALA A 38 2.879 5.569 -6.677 1.00 0.00 C ATOM 562 O ALA A 38 2.365 5.426 -7.784 1.00 0.00 O ATOM 563 CB ALA A 38 3.626 7.908 -6.165 1.00 0.00 C ATOM 0 H ALA A 38 3.490 6.771 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 38 1.622 7.192 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.604 8.126 -7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.379 8.810 -5.606 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.623 7.569 -5.884 1.00 0.00 H new ATOM 569 N TYR A 39 3.675 4.661 -6.126 1.00 0.00 N ATOM 570 CA TYR A 39 3.983 3.400 -6.787 1.00 0.00 C ATOM 571 C TYR A 39 2.690 2.644 -7.083 1.00 0.00 C ATOM 572 O TYR A 39 2.490 2.126 -8.184 1.00 0.00 O ATOM 573 CB TYR A 39 4.903 2.542 -5.911 1.00 0.00 C ATOM 574 CG TYR A 39 5.622 1.454 -6.675 1.00 0.00 C ATOM 575 CD1 TYR A 39 4.984 0.267 -7.006 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.943 1.620 -7.076 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.636 -0.719 -7.717 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.603 0.634 -7.783 1.00 0.00 C ATOM 579 CZ TYR A 39 6.946 -0.534 -8.101 1.00 0.00 C ATOM 580 OH TYR A 39 7.596 -1.514 -8.820 1.00 0.00 O ATOM 0 H TYR A 39 4.122 4.776 -5.216 1.00 0.00 H new ATOM 0 HA TYR A 39 4.499 3.613 -7.723 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.640 3.187 -5.432 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.313 2.087 -5.115 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.959 0.112 -6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.462 2.535 -6.831 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.121 -1.633 -7.972 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.630 0.778 -8.085 1.00 0.00 H new ATOM 0 HH TYR A 39 8.513 -1.225 -9.012 1.00 0.00 H new ATOM 590 N ILE A 40 1.803 2.614 -6.091 1.00 0.00 N ATOM 591 CA ILE A 40 0.532 1.921 -6.212 1.00 0.00 C ATOM 592 C ILE A 40 -0.413 2.659 -7.154 1.00 0.00 C ATOM 593 O ILE A 40 -1.194 2.038 -7.861 1.00 0.00 O ATOM 594 CB ILE A 40 -0.136 1.768 -4.829 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.731 0.885 -3.934 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.545 1.192 -4.946 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.416 1.030 -2.467 1.00 0.00 C ATOM 0 H ILE A 40 1.948 3.067 -5.189 1.00 0.00 H new ATOM 0 HA ILE A 40 0.735 0.934 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.226 2.758 -4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.598 -0.157 -4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.780 1.131 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.984 1.099 -3.952 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.160 1.856 -5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.499 0.210 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.068 0.375 -1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.576 2.064 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.624 0.756 -2.289 1.00 0.00 H new ATOM 609 N GLU A 41 -0.332 3.985 -7.176 1.00 0.00 N ATOM 610 CA GLU A 41 -1.253 4.772 -7.987 1.00 0.00 C ATOM 611 C GLU A 41 -0.833 4.768 -9.461 1.00 0.00 C ATOM 612 O GLU A 41 -1.634 5.086 -10.343 1.00 0.00 O ATOM 613 CB GLU A 41 -1.377 6.203 -7.452 1.00 0.00 C ATOM 614 CG GLU A 41 -0.209 7.107 -7.790 1.00 0.00 C ATOM 615 CD GLU A 41 -0.435 8.535 -7.341 1.00 0.00 C ATOM 616 OE1 GLU A 41 -1.421 9.152 -7.798 1.00 0.00 O ATOM 617 OE2 GLU A 41 0.373 9.050 -6.545 1.00 0.00 O ATOM 0 H GLU A 41 0.351 4.531 -6.650 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.236 4.306 -7.920 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.290 6.647 -7.849 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.487 6.163 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.695 6.720 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.040 7.090 -8.867 1.00 0.00 H new ATOM 624 N GLU A 42 0.424 4.429 -9.726 1.00 0.00 N ATOM 625 CA GLU A 42 0.893 4.284 -11.101 1.00 0.00 C ATOM 626 C GLU A 42 0.591 2.887 -11.630 1.00 0.00 C ATOM 627 O GLU A 42 0.368 2.700 -12.824 1.00 0.00 O ATOM 628 CB GLU A 42 2.390 4.560 -11.209 1.00 0.00 C ATOM 629 CG GLU A 42 2.779 5.985 -10.870 1.00 0.00 C ATOM 630 CD GLU A 42 4.210 6.284 -11.248 1.00 0.00 C ATOM 631 OE1 GLU A 42 5.129 5.771 -10.576 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.423 7.028 -12.230 1.00 0.00 O ATOM 0 H GLU A 42 1.132 4.251 -9.014 1.00 0.00 H new ATOM 0 HA GLU A 42 0.360 5.018 -11.705 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.923 3.881 -10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.718 4.336 -12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.115 6.676 -11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.643 6.154 -9.802 1.00 0.00 H new ATOM 639 N GLN A 43 0.578 1.911 -10.731 1.00 0.00 N ATOM 640 CA GLN A 43 0.286 0.527 -11.095 1.00 0.00 C ATOM 641 C GLN A 43 -0.835 -0.019 -10.211 1.00 0.00 C ATOM 642 O GLN A 43 -0.626 -0.950 -9.429 1.00 0.00 O ATOM 643 CB GLN A 43 1.551 -0.322 -10.954 1.00 0.00 C ATOM 644 CG GLN A 43 2.649 0.079 -11.921 1.00 0.00 C ATOM 645 CD GLN A 43 4.028 -0.349 -11.463 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.495 -1.446 -11.773 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.702 0.528 -10.737 1.00 0.00 N ATOM 0 H GLN A 43 0.767 2.052 -9.739 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.045 0.487 -12.133 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.925 -0.238 -9.934 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.298 -1.370 -11.116 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.444 -0.361 -12.897 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.635 1.161 -12.049 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.280 1.426 -10.501 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.643 0.306 -10.413 1.00 0.00 H new ATOM 656 N PRO A 44 -2.043 0.558 -10.328 1.00 0.00 N ATOM 657 CA PRO A 44 -3.146 0.287 -9.425 1.00 0.00 C ATOM 658 C PRO A 44 -4.145 -0.731 -9.955 1.00 0.00 C ATOM 659 O PRO A 44 -4.030 -1.243 -11.072 1.00 0.00 O ATOM 660 CB PRO A 44 -3.811 1.658 -9.344 1.00 0.00 C ATOM 661 CG PRO A 44 -3.605 2.269 -10.698 1.00 0.00 C ATOM 662 CD PRO A 44 -2.445 1.541 -11.346 1.00 0.00 C ATOM 0 HA PRO A 44 -2.805 -0.141 -8.482 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.871 1.569 -9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.361 2.270 -8.562 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.506 2.174 -11.304 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.390 3.334 -10.611 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.744 1.056 -12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.630 2.222 -11.590 1.00 0.00 H new ATOM 670 N PHE A 45 -5.127 -1.009 -9.121 1.00 0.00 N ATOM 671 CA PHE A 45 -6.279 -1.803 -9.492 1.00 0.00 C ATOM 672 C PHE A 45 -7.474 -0.875 -9.623 1.00 0.00 C ATOM 673 O PHE A 45 -7.553 0.134 -8.924 1.00 0.00 O ATOM 674 CB PHE A 45 -6.547 -2.890 -8.442 1.00 0.00 C ATOM 675 CG PHE A 45 -6.236 -2.459 -7.033 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.170 -1.770 -6.283 1.00 0.00 C ATOM 677 CD2 PHE A 45 -5.002 -2.741 -6.466 1.00 0.00 C ATOM 678 CE1 PHE A 45 -6.883 -1.366 -4.994 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.709 -2.341 -5.177 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.651 -1.650 -4.440 1.00 0.00 C ATOM 0 H PHE A 45 -5.147 -0.685 -8.154 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.095 -2.305 -10.442 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.594 -3.188 -8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.952 -3.771 -8.683 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.136 -1.545 -6.710 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.262 -3.280 -7.039 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.622 -0.828 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.745 -2.568 -4.746 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.424 -1.333 -3.433 1.00 0.00 H new ATOM 690 N PRO A 46 -8.390 -1.189 -10.551 1.00 0.00 N ATOM 691 CA PRO A 46 -9.536 -0.327 -10.906 1.00 0.00 C ATOM 692 C PRO A 46 -10.375 0.138 -9.715 1.00 0.00 C ATOM 693 O PRO A 46 -11.175 1.069 -9.841 1.00 0.00 O ATOM 694 CB PRO A 46 -10.374 -1.226 -11.811 1.00 0.00 C ATOM 695 CG PRO A 46 -9.398 -2.156 -12.421 1.00 0.00 C ATOM 696 CD PRO A 46 -8.380 -2.427 -11.354 1.00 0.00 C ATOM 0 HA PRO A 46 -9.192 0.601 -11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.132 -1.764 -11.242 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.897 -0.646 -12.571 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.883 -3.077 -12.744 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.934 -1.715 -13.303 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.648 -3.297 -10.755 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.395 -2.623 -11.778 1.00 0.00 H new ATOM 704 N GLY A 47 -10.195 -0.509 -8.570 1.00 0.00 N ATOM 705 CA GLY A 47 -10.949 -0.152 -7.386 1.00 0.00 C ATOM 706 C GLY A 47 -10.105 0.575 -6.362 1.00 0.00 C ATOM 707 O GLY A 47 -10.486 0.683 -5.205 1.00 0.00 O ATOM 0 H GLY A 47 -9.537 -1.278 -8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.792 0.478 -7.671 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.363 -1.054 -6.937 1.00 0.00 H new ATOM 711 N PHE A 48 -8.947 1.054 -6.775 1.00 0.00 N ATOM 712 CA PHE A 48 -8.062 1.793 -5.881 1.00 0.00 C ATOM 713 C PHE A 48 -8.701 3.112 -5.449 1.00 0.00 C ATOM 714 O PHE A 48 -9.250 3.848 -6.267 1.00 0.00 O ATOM 715 CB PHE A 48 -6.717 2.041 -6.572 1.00 0.00 C ATOM 716 CG PHE A 48 -5.862 3.087 -5.913 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.233 2.831 -4.706 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.690 4.327 -6.506 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.446 3.795 -4.104 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.906 5.293 -5.910 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.285 5.027 -4.708 1.00 0.00 C ATOM 0 H PHE A 48 -8.592 0.947 -7.725 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.893 1.197 -4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.162 1.104 -6.605 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.902 2.339 -7.604 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.358 1.869 -4.231 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.176 4.540 -7.447 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.958 3.585 -3.164 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.779 6.255 -6.384 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.672 5.782 -4.238 1.00 0.00 H new ATOM 731 N ILE A 49 -8.626 3.396 -4.157 1.00 0.00 N ATOM 732 CA ILE A 49 -9.248 4.582 -3.591 1.00 0.00 C ATOM 733 C ILE A 49 -8.203 5.602 -3.147 1.00 0.00 C ATOM 734 O ILE A 49 -8.177 6.731 -3.640 1.00 0.00 O ATOM 735 CB ILE A 49 -10.145 4.196 -2.395 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.361 3.398 -2.876 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.586 5.417 -1.603 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.316 4.174 -3.760 1.00 0.00 C ATOM 0 H ILE A 49 -8.136 2.815 -3.477 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.859 5.039 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.553 3.570 -1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.011 2.522 -3.423 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.907 3.034 -2.006 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.215 5.103 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.709 5.938 -1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.150 6.087 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.146 3.530 -4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.700 5.035 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.790 4.516 -4.652 1.00 0.00 H new ATOM 750 N GLU A 50 -7.335 5.201 -2.226 1.00 0.00 N ATOM 751 CA GLU A 50 -6.374 6.123 -1.638 1.00 0.00 C ATOM 752 C GLU A 50 -5.231 5.363 -0.975 1.00 0.00 C ATOM 753 O GLU A 50 -5.371 4.196 -0.634 1.00 0.00 O ATOM 754 CB GLU A 50 -7.088 7.031 -0.623 1.00 0.00 C ATOM 755 CG GLU A 50 -6.178 8.036 0.062 1.00 0.00 C ATOM 756 CD GLU A 50 -6.942 9.083 0.838 1.00 0.00 C ATOM 757 OE1 GLU A 50 -7.578 8.735 1.850 1.00 0.00 O ATOM 758 OE2 GLU A 50 -6.915 10.262 0.429 1.00 0.00 O ATOM 0 H GLU A 50 -7.278 4.246 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.946 6.741 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.887 7.570 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.559 6.407 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.505 7.508 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.557 8.527 -0.687 1.00 0.00 H new ATOM 765 N CYS A 51 -4.096 6.020 -0.819 1.00 0.00 N ATOM 766 CA CYS A 51 -2.947 5.429 -0.167 1.00 0.00 C ATOM 767 C CYS A 51 -2.127 6.513 0.516 1.00 0.00 C ATOM 768 O CYS A 51 -1.684 7.468 -0.127 1.00 0.00 O ATOM 769 CB CYS A 51 -2.092 4.688 -1.190 1.00 0.00 C ATOM 770 SG CYS A 51 -1.779 5.642 -2.691 1.00 0.00 S ATOM 0 H CYS A 51 -3.947 6.976 -1.141 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.289 4.718 0.585 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.139 4.423 -0.732 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.587 3.755 -1.458 1.00 0.00 H new ATOM 0 HG CYS A 51 -0.696 5.207 -3.264 1.00 0.00 H new ATOM 776 N ILE A 52 -1.944 6.387 1.816 1.00 0.00 N ATOM 777 CA ILE A 52 -1.189 7.382 2.555 1.00 0.00 C ATOM 778 C ILE A 52 0.027 6.766 3.240 1.00 0.00 C ATOM 779 O ILE A 52 -0.073 5.723 3.891 1.00 0.00 O ATOM 780 CB ILE A 52 -2.072 8.124 3.579 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.021 7.154 4.282 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.852 9.225 2.876 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.756 7.763 5.459 1.00 0.00 C ATOM 0 H ILE A 52 -2.303 5.615 2.378 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.834 8.113 1.829 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.432 8.572 4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.751 6.787 3.560 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.453 6.291 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.476 9.749 3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.156 9.929 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.484 8.787 2.103 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.410 7.015 5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.035 8.105 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.353 8.609 5.117 1.00 0.00 H new ATOM 795 N PRO A 53 1.202 7.393 3.064 1.00 0.00 N ATOM 796 CA PRO A 53 2.459 6.921 3.635 1.00 0.00 C ATOM 797 C PRO A 53 2.580 7.287 5.109 1.00 0.00 C ATOM 798 O PRO A 53 2.519 8.459 5.477 1.00 0.00 O ATOM 799 CB PRO A 53 3.539 7.647 2.812 1.00 0.00 C ATOM 800 CG PRO A 53 2.807 8.456 1.786 1.00 0.00 C ATOM 801 CD PRO A 53 1.405 8.621 2.292 1.00 0.00 C ATOM 0 HA PRO A 53 2.544 5.835 3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.150 8.287 3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.212 6.933 2.337 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.284 9.426 1.644 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.813 7.953 0.819 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.299 9.512 2.911 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.687 8.712 1.477 1.00 0.00 H new ATOM 809 N ALA A 54 2.767 6.283 5.944 1.00 0.00 N ATOM 810 CA ALA A 54 2.824 6.489 7.383 1.00 0.00 C ATOM 811 C ALA A 54 4.233 6.243 7.913 1.00 0.00 C ATOM 812 O ALA A 54 4.432 5.465 8.852 1.00 0.00 O ATOM 813 CB ALA A 54 1.813 5.594 8.087 1.00 0.00 C ATOM 0 H ALA A 54 2.883 5.313 5.652 1.00 0.00 H new ATOM 0 HA ALA A 54 2.567 7.527 7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.868 5.760 9.163 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.809 5.831 7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.037 4.550 7.869 1.00 0.00 H new ATOM 819 N PHE A 55 5.209 6.878 7.258 1.00 0.00 N ATOM 820 CA PHE A 55 6.606 6.898 7.705 1.00 0.00 C ATOM 821 C PHE A 55 7.309 5.572 7.400 1.00 0.00 C ATOM 822 O PHE A 55 8.335 5.556 6.726 1.00 0.00 O ATOM 823 CB PHE A 55 6.702 7.238 9.202 1.00 0.00 C ATOM 824 CG PHE A 55 8.072 7.680 9.641 1.00 0.00 C ATOM 825 CD1 PHE A 55 8.496 8.981 9.409 1.00 0.00 C ATOM 826 CD2 PHE A 55 8.932 6.806 10.285 1.00 0.00 C ATOM 827 CE1 PHE A 55 9.749 9.399 9.812 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.187 7.219 10.689 1.00 0.00 C ATOM 829 CZ PHE A 55 10.597 8.517 10.451 1.00 0.00 C ATOM 0 H PHE A 55 5.051 7.398 6.395 1.00 0.00 H new ATOM 0 HA PHE A 55 7.119 7.681 7.147 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.986 8.027 9.432 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.410 6.363 9.783 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.838 9.675 8.907 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.618 5.790 10.474 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.065 10.415 9.627 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.848 6.527 11.191 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.579 8.841 10.764 1.00 0.00 H new ATOM 839 N THR A 56 6.763 4.472 7.901 1.00 0.00 N ATOM 840 CA THR A 56 7.289 3.145 7.597 1.00 0.00 C ATOM 841 C THR A 56 6.153 2.161 7.332 1.00 0.00 C ATOM 842 O THR A 56 6.357 0.945 7.304 1.00 0.00 O ATOM 843 CB THR A 56 8.179 2.609 8.738 1.00 0.00 C ATOM 844 OG1 THR A 56 7.500 2.728 9.997 1.00 0.00 O ATOM 845 CG2 THR A 56 9.501 3.357 8.792 1.00 0.00 C ATOM 0 H THR A 56 5.954 4.471 8.522 1.00 0.00 H new ATOM 0 HA THR A 56 7.901 3.241 6.700 1.00 0.00 H new ATOM 0 HB THR A 56 8.384 1.557 8.540 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.074 2.383 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.110 2.961 9.604 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.029 3.231 7.847 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.313 4.417 8.963 1.00 0.00 H new ATOM 853 N SER A 57 4.959 2.697 7.128 1.00 0.00 N ATOM 854 CA SER A 57 3.777 1.883 6.897 1.00 0.00 C ATOM 855 C SER A 57 2.925 2.501 5.797 1.00 0.00 C ATOM 856 O SER A 57 2.955 3.708 5.580 1.00 0.00 O ATOM 857 CB SER A 57 2.967 1.768 8.186 1.00 0.00 C ATOM 858 OG SER A 57 1.930 0.808 8.074 1.00 0.00 O ATOM 0 H SER A 57 4.783 3.702 7.118 1.00 0.00 H new ATOM 0 HA SER A 57 4.087 0.886 6.583 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.629 1.494 9.007 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.538 2.739 8.433 1.00 0.00 H new ATOM 0 HG SER A 57 1.435 0.761 8.918 1.00 0.00 H new ATOM 864 N LEU A 58 2.182 1.667 5.108 1.00 0.00 N ATOM 865 CA LEU A 58 1.320 2.102 4.023 1.00 0.00 C ATOM 866 C LEU A 58 -0.133 1.926 4.402 1.00 0.00 C ATOM 867 O LEU A 58 -0.599 0.801 4.580 1.00 0.00 O ATOM 868 CB LEU A 58 1.584 1.286 2.761 1.00 0.00 C ATOM 869 CG LEU A 58 2.408 1.960 1.672 1.00 0.00 C ATOM 870 CD1 LEU A 58 2.566 1.006 0.508 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.761 3.261 1.203 1.00 0.00 C ATOM 0 H LEU A 58 2.155 0.662 5.281 1.00 0.00 H new ATOM 0 HA LEU A 58 1.535 3.154 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.091 0.365 3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.623 1.000 2.333 1.00 0.00 H new ATOM 0 HG LEU A 58 3.386 2.211 2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.155 1.482 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.074 0.102 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.583 0.745 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.377 3.714 0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.769 3.051 0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.675 3.948 2.044 1.00 0.00 H new ATOM 883 N THR A 59 -0.847 3.021 4.526 1.00 0.00 N ATOM 884 CA THR A 59 -2.266 2.953 4.763 1.00 0.00 C ATOM 885 C THR A 59 -2.962 2.967 3.407 1.00 0.00 C ATOM 886 O THR A 59 -3.060 4.007 2.753 1.00 0.00 O ATOM 887 CB THR A 59 -2.720 4.147 5.622 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.738 4.411 6.636 1.00 0.00 O ATOM 889 CG2 THR A 59 -4.055 3.875 6.289 1.00 0.00 C ATOM 0 H THR A 59 -0.468 3.966 4.467 1.00 0.00 H new ATOM 0 HA THR A 59 -2.522 2.043 5.306 1.00 0.00 H new ATOM 0 HB THR A 59 -2.830 5.009 4.965 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.661 3.633 7.227 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.345 4.738 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.812 3.691 5.527 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.968 3.000 6.933 1.00 0.00 H new ATOM 897 N VAL A 60 -3.431 1.806 2.986 1.00 0.00 N ATOM 898 CA VAL A 60 -3.920 1.618 1.633 1.00 0.00 C ATOM 899 C VAL A 60 -5.430 1.384 1.619 1.00 0.00 C ATOM 900 O VAL A 60 -5.932 0.377 2.121 1.00 0.00 O ATOM 901 CB VAL A 60 -3.186 0.437 0.950 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.685 0.228 -0.468 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.673 0.661 0.962 1.00 0.00 C ATOM 0 H VAL A 60 -3.483 0.971 3.570 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.714 2.530 1.073 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.405 -0.467 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.152 -0.607 -0.922 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.753 0.010 -0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.509 1.131 -1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.177 -0.180 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.437 1.580 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.325 0.743 1.992 1.00 0.00 H new ATOM 913 N PHE A 61 -6.138 2.333 1.040 1.00 0.00 N ATOM 914 CA PHE A 61 -7.586 2.296 0.957 1.00 0.00 C ATOM 915 C PHE A 61 -8.012 1.947 -0.461 1.00 0.00 C ATOM 916 O PHE A 61 -7.337 2.304 -1.431 1.00 0.00 O ATOM 917 CB PHE A 61 -8.165 3.656 1.336 1.00 0.00 C ATOM 918 CG PHE A 61 -7.875 4.095 2.744 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.661 4.690 3.068 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.827 3.938 3.740 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.410 5.116 4.356 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.575 4.359 5.032 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.366 4.950 5.339 1.00 0.00 C ATOM 0 H PHE A 61 -5.722 3.159 0.610 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.959 1.539 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.773 4.406 0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.245 3.627 1.195 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.908 4.820 2.305 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.777 3.481 3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.465 5.580 4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.323 4.226 5.800 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.168 5.282 6.347 1.00 0.00 H new ATOM 933 N TYR A 62 -9.142 1.275 -0.585 1.00 0.00 N ATOM 934 CA TYR A 62 -9.609 0.798 -1.877 1.00 0.00 C ATOM 935 C TYR A 62 -11.061 0.357 -1.802 1.00 0.00 C ATOM 936 O TYR A 62 -11.664 0.316 -0.727 1.00 0.00 O ATOM 937 CB TYR A 62 -8.731 -0.351 -2.381 1.00 0.00 C ATOM 938 CG TYR A 62 -8.362 -1.343 -1.308 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.318 -2.169 -0.738 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.053 -1.444 -0.860 1.00 0.00 C ATOM 941 CE1 TYR A 62 -8.979 -3.064 0.249 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.712 -2.339 0.127 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.683 -3.146 0.673 1.00 0.00 C ATOM 944 OH TYR A 62 -7.358 -4.042 1.649 1.00 0.00 O ATOM 0 H TYR A 62 -9.757 1.046 0.196 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.538 1.625 -2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.254 -0.873 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.819 0.062 -2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.343 -2.109 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.292 -0.811 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.734 -3.700 0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.690 -2.408 0.471 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.767 -4.730 1.278 1.00 0.00 H new ATOM 954 N ASP A 63 -11.606 0.048 -2.960 1.00 0.00 N ATOM 955 CA ASP A 63 -12.986 -0.349 -3.098 1.00 0.00 C ATOM 956 C ASP A 63 -13.082 -1.860 -3.169 1.00 0.00 C ATOM 957 O ASP A 63 -12.527 -2.488 -4.075 1.00 0.00 O ATOM 958 CB ASP A 63 -13.569 0.259 -4.367 1.00 0.00 C ATOM 959 CG ASP A 63 -15.082 0.322 -4.326 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.723 -0.738 -4.185 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.637 1.436 -4.443 1.00 0.00 O ATOM 0 H ASP A 63 -11.094 0.067 -3.842 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.548 0.006 -2.234 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.168 1.263 -4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.254 -0.330 -5.228 1.00 0.00 H new ATOM 966 N MET A 64 -13.789 -2.438 -2.221 1.00 0.00 N ATOM 967 CA MET A 64 -13.911 -3.886 -2.133 1.00 0.00 C ATOM 968 C MET A 64 -14.668 -4.473 -3.329 1.00 0.00 C ATOM 969 O MET A 64 -14.515 -5.652 -3.636 1.00 0.00 O ATOM 970 CB MET A 64 -14.552 -4.300 -0.799 1.00 0.00 C ATOM 971 CG MET A 64 -15.716 -3.427 -0.366 1.00 0.00 C ATOM 972 SD MET A 64 -17.145 -3.539 -1.460 1.00 0.00 S ATOM 973 CE MET A 64 -17.831 -1.899 -1.257 1.00 0.00 C ATOM 0 H MET A 64 -14.292 -1.928 -1.495 1.00 0.00 H new ATOM 0 HA MET A 64 -12.904 -4.302 -2.166 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.897 -5.331 -0.880 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.789 -4.279 -0.021 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.017 -3.711 0.642 1.00 0.00 H new ATOM 0 HG3 MET A 64 -15.384 -2.390 -0.320 1.00 0.00 H new ATOM 0 HE1 MET A 64 -18.727 -1.801 -1.870 1.00 0.00 H new ATOM 0 HE2 MET A 64 -18.089 -1.739 -0.210 1.00 0.00 H new ATOM 0 HE3 MET A 64 -17.096 -1.156 -1.567 1.00 0.00 H new ATOM 983 N TYR A 65 -15.445 -3.650 -4.029 1.00 0.00 N ATOM 984 CA TYR A 65 -16.225 -4.123 -5.173 1.00 0.00 C ATOM 985 C TYR A 65 -15.310 -4.690 -6.263 1.00 0.00 C ATOM 986 O TYR A 65 -15.655 -5.656 -6.944 1.00 0.00 O ATOM 987 CB TYR A 65 -17.101 -2.981 -5.735 1.00 0.00 C ATOM 988 CG TYR A 65 -16.899 -2.703 -7.213 1.00 0.00 C ATOM 989 CD1 TYR A 65 -17.639 -3.377 -8.176 1.00 0.00 C ATOM 990 CD2 TYR A 65 -15.953 -1.779 -7.642 1.00 0.00 C ATOM 991 CE1 TYR A 65 -17.442 -3.141 -9.522 1.00 0.00 C ATOM 992 CE2 TYR A 65 -15.746 -1.543 -8.987 1.00 0.00 C ATOM 993 CZ TYR A 65 -16.493 -2.225 -9.922 1.00 0.00 C ATOM 994 OH TYR A 65 -16.278 -2.004 -11.262 1.00 0.00 O ATOM 0 H TYR A 65 -15.552 -2.656 -3.826 1.00 0.00 H new ATOM 0 HA TYR A 65 -16.879 -4.926 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.149 -3.226 -5.564 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -16.891 -2.070 -5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -18.381 -4.098 -7.867 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.371 -1.237 -6.912 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.028 -3.671 -10.258 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.002 -0.827 -9.304 1.00 0.00 H new ATOM 0 HH TYR A 65 -15.577 -1.328 -11.374 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.127 -4.110 -6.397 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.227 -4.472 -7.482 1.00 0.00 C ATOM 1006 C GLU A 66 -12.326 -5.599 -7.030 1.00 0.00 C ATOM 1007 O GLU A 66 -11.776 -6.352 -7.832 1.00 0.00 O ATOM 1008 CB GLU A 66 -12.391 -3.268 -7.908 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.392 -3.018 -9.409 1.00 0.00 C ATOM 1010 CD GLU A 66 -11.890 -4.202 -10.211 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -10.671 -4.461 -10.195 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -12.717 -4.874 -10.860 1.00 0.00 O ATOM 0 H GLU A 66 -13.768 -3.389 -5.771 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.815 -4.799 -8.339 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.767 -2.379 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.364 -3.415 -7.574 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.405 -2.773 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.770 -2.150 -9.627 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.181 -5.717 -5.728 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.370 -6.770 -5.172 1.00 0.00 C ATOM 1021 C VAL A 67 -12.185 -8.055 -5.105 1.00 0.00 C ATOM 1022 O VAL A 67 -11.658 -9.125 -5.371 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.787 -6.380 -3.798 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.280 -4.947 -3.843 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.793 -6.550 -2.675 1.00 0.00 C ATOM 0 H VAL A 67 -12.613 -5.099 -5.041 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.513 -6.937 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.959 -7.056 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.869 -4.676 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.503 -4.860 -4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.104 -4.277 -4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.334 -6.263 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.660 -5.918 -2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.108 -7.592 -2.624 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.480 -7.932 -4.779 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.434 -9.037 -4.916 1.00 0.00 C ATOM 1037 C TYR A 68 -14.475 -9.511 -6.363 1.00 0.00 C ATOM 1038 O TYR A 68 -14.707 -10.687 -6.640 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.854 -8.619 -4.500 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.117 -8.534 -3.006 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -15.967 -9.641 -2.177 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -16.554 -7.346 -2.433 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.245 -9.562 -0.822 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -16.827 -7.259 -1.083 1.00 0.00 C ATOM 1045 CZ TYR A 68 -16.673 -8.366 -0.280 1.00 0.00 C ATOM 1046 OH TYR A 68 -16.954 -8.273 1.066 1.00 0.00 O ATOM 0 H TYR A 68 -13.890 -7.071 -4.417 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.098 -9.839 -4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -16.068 -7.646 -4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.560 -9.327 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.628 -10.577 -2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.683 -6.473 -3.056 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.128 -10.432 -0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -17.161 -6.324 -0.658 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.241 -7.360 1.278 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.253 -8.572 -7.283 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.196 -8.874 -8.706 1.00 0.00 C ATOM 1058 C LYS A 69 -13.067 -9.861 -8.976 1.00 0.00 C ATOM 1059 O LYS A 69 -13.093 -10.621 -9.944 1.00 0.00 O ATOM 1060 CB LYS A 69 -13.959 -7.592 -9.489 1.00 0.00 C ATOM 1061 CG LYS A 69 -14.243 -7.700 -10.976 1.00 0.00 C ATOM 1062 CD LYS A 69 -15.691 -7.353 -11.281 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.018 -5.922 -10.863 1.00 0.00 C ATOM 1064 NZ LYS A 69 -15.238 -4.916 -11.637 1.00 0.00 N ATOM 0 H LYS A 69 -14.109 -7.587 -7.061 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.141 -9.318 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.584 -6.804 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.923 -7.284 -9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.581 -7.030 -11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.028 -8.712 -11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -15.879 -7.475 -12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -16.351 -8.046 -10.760 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.083 -5.739 -11.003 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -15.811 -5.800 -9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.518 -3.959 -11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.223 -5.051 -11.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.428 -5.035 -12.652 1.00 0.00 H new ATOM 1078 N HIS A 70 -12.067 -9.821 -8.107 1.00 0.00 N ATOM 1079 CA HIS A 70 -10.976 -10.774 -8.146 1.00 0.00 C ATOM 1080 C HIS A 70 -11.291 -11.934 -7.205 1.00 0.00 C ATOM 1081 O HIS A 70 -11.698 -13.004 -7.657 1.00 0.00 O ATOM 1082 CB HIS A 70 -9.652 -10.112 -7.740 1.00 0.00 C ATOM 1083 CG HIS A 70 -9.130 -9.095 -8.714 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -9.630 -7.813 -8.819 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -8.119 -9.171 -9.613 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -8.948 -7.149 -9.732 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -8.022 -7.948 -10.232 1.00 0.00 N ATOM 0 H HIS A 70 -11.992 -9.130 -7.361 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.867 -11.144 -9.166 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.785 -9.631 -6.771 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.899 -10.889 -7.610 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.407 -7.437 -8.275 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.502 -10.036 -9.808 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.118 -6.123 -10.023 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.132 -11.676 -5.896 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.373 -12.653 -4.823 1.00 0.00 C ATOM 1098 C LEU A 71 -11.073 -14.096 -5.266 1.00 0.00 C ATOM 1099 O LEU A 71 -11.988 -14.916 -5.387 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.815 -12.535 -4.313 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.990 -11.912 -2.913 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.350 -12.780 -1.838 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.409 -10.510 -2.852 1.00 0.00 C ATOM 0 H LEU A 71 -10.827 -10.767 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.684 -12.420 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.384 -11.940 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.258 -13.531 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.062 -11.852 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.490 -12.314 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.817 -13.765 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.284 -12.883 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.550 -10.101 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.344 -10.547 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.916 -9.874 -3.578 1.00 0.00 H new ATOM 1115 N PRO A 72 -9.791 -14.417 -5.540 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.386 -15.752 -6.008 1.00 0.00 C ATOM 1117 C PRO A 72 -9.747 -16.850 -5.013 1.00 0.00 C ATOM 1118 O PRO A 72 -9.834 -16.608 -3.811 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.863 -15.640 -6.149 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.601 -14.181 -6.268 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.637 -13.514 -5.415 1.00 0.00 C ATOM 0 HA PRO A 72 -9.893 -16.026 -6.933 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.353 -16.065 -5.284 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.506 -16.179 -7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.595 -13.934 -5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.676 -13.853 -7.305 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.308 -13.418 -4.380 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.868 -12.510 -5.770 1.00 0.00 H new ATOM 1129 N GLN A 73 -9.945 -18.060 -5.518 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.376 -19.175 -4.687 1.00 0.00 C ATOM 1131 C GLN A 73 -9.260 -19.604 -3.750 1.00 0.00 C ATOM 1132 O GLN A 73 -8.298 -20.267 -4.147 1.00 0.00 O ATOM 1133 CB GLN A 73 -10.841 -20.336 -5.556 1.00 0.00 C ATOM 1134 CG GLN A 73 -12.014 -19.969 -6.448 1.00 0.00 C ATOM 1135 CD GLN A 73 -13.249 -19.566 -5.664 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -14.081 -20.405 -5.315 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.385 -18.276 -5.393 1.00 0.00 N ATOM 0 H GLN A 73 -9.813 -18.294 -6.502 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.219 -18.851 -4.077 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.011 -20.675 -6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.124 -21.172 -4.917 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.722 -19.149 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.257 -20.817 -7.088 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.673 -17.613 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.201 -17.946 -4.878 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.408 -19.199 -2.504 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.385 -19.389 -1.504 1.00 0.00 C ATOM 1148 C GLY A 74 -8.267 -18.128 -0.691 1.00 0.00 C ATOM 1149 O GLY A 74 -8.022 -18.156 0.515 1.00 0.00 O ATOM 0 H GLY A 74 -10.245 -18.728 -2.159 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.637 -20.232 -0.860 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.432 -19.624 -1.978 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.482 -17.018 -1.384 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.605 -15.716 -0.766 1.00 0.00 C ATOM 1155 C ILE A 75 -9.971 -15.616 -0.111 1.00 0.00 C ATOM 1156 O ILE A 75 -11.000 -15.633 -0.783 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.455 -14.612 -1.826 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.097 -14.729 -2.527 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.630 -13.242 -1.199 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.920 -14.285 -1.683 1.00 0.00 C ATOM 0 H ILE A 75 -8.576 -17.002 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.822 -15.589 -0.018 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.236 -14.739 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.944 -15.766 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.120 -14.134 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.520 -12.475 -1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.622 -13.170 -0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.874 -13.096 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.999 -14.400 -2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.046 -13.239 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.867 -14.896 -0.782 1.00 0.00 H new ATOM 1172 N SER A 76 -9.975 -15.537 1.199 1.00 0.00 N ATOM 1173 CA SER A 76 -11.207 -15.562 1.952 1.00 0.00 C ATOM 1174 C SER A 76 -11.641 -14.149 2.313 1.00 0.00 C ATOM 1175 O SER A 76 -12.715 -13.936 2.882 1.00 0.00 O ATOM 1176 CB SER A 76 -10.983 -16.393 3.209 1.00 0.00 C ATOM 1177 OG SER A 76 -10.439 -17.660 2.874 1.00 0.00 O ATOM 0 H SER A 76 -9.133 -15.454 1.769 1.00 0.00 H new ATOM 0 HA SER A 76 -12.001 -16.007 1.351 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.308 -15.867 3.885 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.926 -16.524 3.739 1.00 0.00 H new ATOM 0 HG SER A 76 -10.299 -18.182 3.691 1.00 0.00 H new ATOM 1183 N SER A 77 -10.812 -13.184 1.950 1.00 0.00 N ATOM 1184 CA SER A 77 -11.018 -11.812 2.365 1.00 0.00 C ATOM 1185 C SER A 77 -10.699 -10.822 1.242 1.00 0.00 C ATOM 1186 O SER A 77 -9.691 -10.964 0.559 1.00 0.00 O ATOM 1187 CB SER A 77 -10.128 -11.523 3.566 1.00 0.00 C ATOM 1188 OG SER A 77 -10.440 -12.375 4.661 1.00 0.00 O ATOM 0 H SER A 77 -9.988 -13.329 1.367 1.00 0.00 H new ATOM 0 HA SER A 77 -12.069 -11.687 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.083 -11.656 3.286 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.248 -10.482 3.867 1.00 0.00 H new ATOM 0 HG SER A 77 -9.851 -12.166 5.416 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.564 -9.820 1.028 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.331 -8.751 0.045 1.00 0.00 C ATOM 1196 C PRO A 78 -9.913 -8.175 0.100 1.00 0.00 C ATOM 1197 O PRO A 78 -9.183 -8.217 -0.895 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.359 -7.699 0.453 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.495 -8.500 0.976 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.873 -9.669 1.694 1.00 0.00 C ATOM 0 HA PRO A 78 -11.430 -9.108 -0.980 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.962 -7.025 1.212 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.660 -7.083 -0.395 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.112 -7.909 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.142 -8.837 0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.761 -9.473 2.760 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.480 -10.569 1.597 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.529 -7.656 1.263 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.201 -7.067 1.458 1.00 0.00 C ATOM 1210 C PHE A 79 -7.094 -8.072 1.116 1.00 0.00 C ATOM 1211 O PHE A 79 -6.008 -7.700 0.669 1.00 0.00 O ATOM 1212 CB PHE A 79 -8.056 -6.584 2.910 1.00 0.00 C ATOM 1213 CG PHE A 79 -7.344 -7.538 3.830 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -8.028 -8.564 4.463 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.987 -7.398 4.059 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -7.365 -9.433 5.309 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -5.321 -8.260 4.901 1.00 0.00 C ATOM 1218 CZ PHE A 79 -6.008 -9.281 5.528 1.00 0.00 C ATOM 0 H PHE A 79 -10.122 -7.630 2.093 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.098 -6.217 0.784 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.520 -5.635 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.050 -6.388 3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.088 -8.685 4.294 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.443 -6.603 3.571 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.906 -10.230 5.798 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -4.262 -8.138 5.071 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.487 -9.959 6.188 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.402 -9.346 1.306 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.449 -10.425 1.107 1.00 0.00 C ATOM 1230 C GLU A 80 -6.168 -10.624 -0.383 1.00 0.00 C ATOM 1231 O GLU A 80 -5.096 -11.088 -0.768 1.00 0.00 O ATOM 1232 CB GLU A 80 -7.023 -11.690 1.745 1.00 0.00 C ATOM 1233 CG GLU A 80 -6.100 -12.886 1.764 1.00 0.00 C ATOM 1234 CD GLU A 80 -6.697 -14.025 2.559 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -7.497 -14.796 1.996 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -6.389 -14.134 3.766 1.00 0.00 O ATOM 0 H GLU A 80 -8.325 -9.661 1.604 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.497 -10.183 1.579 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.312 -11.460 2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.933 -11.964 1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.905 -13.215 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.141 -12.601 2.196 1.00 0.00 H new ATOM 1243 N SER A 81 -7.125 -10.234 -1.214 1.00 0.00 N ATOM 1244 CA SER A 81 -6.961 -10.309 -2.654 1.00 0.00 C ATOM 1245 C SER A 81 -6.082 -9.152 -3.112 1.00 0.00 C ATOM 1246 O SER A 81 -5.218 -9.305 -3.980 1.00 0.00 O ATOM 1247 CB SER A 81 -8.334 -10.252 -3.339 1.00 0.00 C ATOM 1248 OG SER A 81 -8.230 -10.395 -4.746 1.00 0.00 O ATOM 0 H SER A 81 -8.025 -9.862 -0.911 1.00 0.00 H new ATOM 0 HA SER A 81 -6.484 -11.250 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.972 -11.041 -2.940 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.817 -9.303 -3.105 1.00 0.00 H new ATOM 0 HG SER A 81 -8.287 -9.513 -5.170 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.294 -8.007 -2.478 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.560 -6.785 -2.778 1.00 0.00 C ATOM 1256 C VAL A 82 -4.082 -6.944 -2.482 1.00 0.00 C ATOM 1257 O VAL A 82 -3.237 -6.343 -3.152 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.092 -5.620 -1.938 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.391 -4.323 -2.304 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.590 -5.504 -2.100 1.00 0.00 C ATOM 0 H VAL A 82 -6.985 -7.899 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.699 -6.580 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.878 -5.819 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.786 -3.511 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.321 -4.424 -2.124 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.562 -4.102 -3.357 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.958 -4.673 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.830 -5.327 -3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.064 -6.428 -1.770 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.776 -7.751 -1.472 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.401 -7.999 -1.081 1.00 0.00 C ATOM 1272 C LYS A 83 -1.591 -8.406 -2.292 1.00 0.00 C ATOM 1273 O LYS A 83 -0.475 -7.961 -2.478 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.326 -9.107 -0.035 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.978 -8.764 1.290 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.587 -9.762 2.372 1.00 0.00 C ATOM 1277 CE LYS A 83 -2.788 -11.201 1.915 1.00 0.00 C ATOM 1278 NZ LYS A 83 -2.208 -12.170 2.879 1.00 0.00 N ATOM 0 H LYS A 83 -4.469 -8.245 -0.909 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.997 -7.082 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.799 -10.002 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.279 -9.352 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.683 -7.760 1.594 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.062 -8.756 1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.543 -9.610 2.646 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.181 -9.579 3.267 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.853 -11.399 1.796 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.327 -11.340 0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.364 -13.139 2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.187 -11.997 2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.666 -12.054 3.806 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.204 -9.207 -3.140 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.524 -9.778 -4.289 1.00 0.00 C ATOM 1294 C ARG A 84 -1.292 -8.724 -5.361 1.00 0.00 C ATOM 1295 O ARG A 84 -0.234 -8.687 -5.991 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.350 -10.928 -4.850 1.00 0.00 C ATOM 1297 CG ARG A 84 -2.877 -11.866 -3.777 1.00 0.00 C ATOM 1298 CD ARG A 84 -1.760 -12.408 -2.888 1.00 0.00 C ATOM 1299 NE ARG A 84 -0.571 -12.777 -3.652 1.00 0.00 N ATOM 1300 CZ ARG A 84 0.679 -12.591 -3.220 1.00 0.00 C ATOM 1301 NH1 ARG A 84 0.905 -12.231 -1.960 1.00 0.00 N ATOM 1302 NH2 ARG A 84 1.704 -12.814 -4.037 1.00 0.00 N ATOM 0 H ARG A 84 -3.183 -9.481 -3.054 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.552 -10.153 -3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.190 -10.522 -5.413 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.740 -11.496 -5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.606 -11.339 -3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.400 -12.698 -4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.493 -11.656 -2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.123 -13.279 -2.343 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.703 -13.202 -4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.122 -12.096 -1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.861 -12.090 -1.634 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.535 -13.127 -4.993 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.659 -12.672 -3.708 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.282 -7.860 -5.553 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.198 -6.801 -6.546 1.00 0.00 C ATOM 1318 C ASP A 85 -1.094 -5.826 -6.197 1.00 0.00 C ATOM 1319 O ASP A 85 -0.422 -5.286 -7.074 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.528 -6.052 -6.661 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.572 -6.856 -7.411 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.411 -7.046 -8.638 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.541 -7.322 -6.781 1.00 0.00 O ATOM 0 H ASP A 85 -3.157 -7.875 -5.029 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.972 -7.265 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.899 -5.818 -5.663 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.366 -5.103 -7.172 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.906 -5.599 -4.911 1.00 0.00 N ATOM 1329 CA VAL A 86 0.139 -4.708 -4.462 1.00 0.00 C ATOM 1330 C VAL A 86 1.466 -5.459 -4.320 1.00 0.00 C ATOM 1331 O VAL A 86 2.505 -4.929 -4.677 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.245 -3.978 -3.153 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.563 -3.248 -3.344 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.329 -4.925 -1.965 1.00 0.00 C ATOM 0 H VAL A 86 -1.461 -6.018 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 86 0.266 -3.938 -5.223 1.00 0.00 H new ATOM 0 HB VAL A 86 0.544 -3.260 -2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.832 -2.735 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.462 -2.519 -4.148 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.343 -3.966 -3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.601 -4.364 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.084 -5.687 -2.160 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.638 -5.404 -1.812 1.00 0.00 H new ATOM 1344 N GLU A 87 1.408 -6.703 -3.833 1.00 0.00 N ATOM 1345 CA GLU A 87 2.592 -7.565 -3.710 1.00 0.00 C ATOM 1346 C GLU A 87 3.411 -7.626 -4.990 1.00 0.00 C ATOM 1347 O GLU A 87 4.604 -7.384 -4.962 1.00 0.00 O ATOM 1348 CB GLU A 87 2.188 -8.986 -3.322 1.00 0.00 C ATOM 1349 CG GLU A 87 2.087 -9.206 -1.826 1.00 0.00 C ATOM 1350 CD GLU A 87 3.305 -9.898 -1.257 1.00 0.00 C ATOM 1351 OE1 GLU A 87 4.269 -9.200 -0.890 1.00 0.00 O ATOM 1352 OE2 GLU A 87 3.282 -11.145 -1.154 1.00 0.00 O ATOM 0 H GLU A 87 0.544 -7.141 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 87 3.209 -7.119 -2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.226 -9.218 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.915 -9.686 -3.735 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.954 -8.245 -1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.200 -9.802 -1.609 1.00 0.00 H new