USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 717 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 75 TYR OH : rot -161:sc= 0.737 USER MOD Set 1.2: A 94 SER OG : rot 64:sc= 0.653 USER MOD Set 2.1: A 41 TYR OH : rot -19:sc= 1.21 USER MOD Set 2.2: A 53 HIS : no HD1:sc= 0.435 K(o=2.9,f=-4!) USER MOD Set 2.3: A 85 SER OG : rot -72:sc= 1.25 USER MOD Set 3.1: A 34 SER OG : rot -120:sc= 1.69 USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0.272 USER MOD Set 3.3: A 86 GLN : amide:sc= 0.615 K(o=2.6,f=1.7) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.062 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.0246 K(o=-0.025,f=-0.65) USER MOD Single : A 43 SER OG : rot 17:sc= 0.81 USER MOD Single : A 45 SER OG : rot 79:sc= 1.27 USER MOD Single : A 46 SER OG : rot 180:sc= 0.638 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.183 X(o=0.18,f=-0.23) USER MOD Single : A 60 SER OG : rot -26:sc= 0.222 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -90:sc= 1.34 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.241 USER MOD Single : A 81 ASN : amide:sc= 0.947 K(o=0.95,f=-0.43) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.0565 F(o=-0.56,f=-0.057) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0167 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -137:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 26 N PRO A 3 -11.972 -7.771 -2.293 1.00 0.00 N ATOM 27 CA PRO A 3 -10.668 -7.168 -2.459 1.00 0.00 C ATOM 28 C PRO A 3 -10.215 -7.233 -3.925 1.00 0.00 C ATOM 29 O PRO A 3 -10.795 -7.946 -4.752 1.00 0.00 O ATOM 30 CB PRO A 3 -9.741 -7.944 -1.517 1.00 0.00 C ATOM 31 CG PRO A 3 -10.384 -9.326 -1.477 1.00 0.00 C ATOM 32 CD PRO A 3 -11.871 -8.995 -1.515 1.00 0.00 C ATOM 0 HA PRO A 3 -10.666 -6.106 -2.211 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.720 -7.983 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.697 -7.489 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.082 -9.939 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.113 -9.875 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.442 -9.802 -1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.269 -8.856 -0.510 1.00 0.00 H new ATOM 40 N ILE A 4 -9.157 -6.493 -4.244 1.00 0.00 N ATOM 41 CA ILE A 4 -8.623 -6.326 -5.583 1.00 0.00 C ATOM 42 C ILE A 4 -7.296 -7.080 -5.622 1.00 0.00 C ATOM 43 O ILE A 4 -6.345 -6.694 -4.942 1.00 0.00 O ATOM 44 CB ILE A 4 -8.444 -4.823 -5.922 1.00 0.00 C ATOM 45 CG1 ILE A 4 -9.705 -3.946 -5.731 1.00 0.00 C ATOM 46 CG2 ILE A 4 -8.026 -4.697 -7.393 1.00 0.00 C ATOM 47 CD1 ILE A 4 -9.933 -3.465 -4.297 1.00 0.00 C ATOM 0 H ILE A 4 -8.629 -5.973 -3.543 1.00 0.00 H new ATOM 0 HA ILE A 4 -9.305 -6.724 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.695 -4.458 -5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -9.630 -3.077 -6.384 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.578 -4.513 -6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -7.896 -3.645 -7.646 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.086 -5.226 -7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -8.798 -5.130 -8.029 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -10.837 -2.858 -4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -10.044 -4.326 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -9.080 -2.868 -3.974 1.00 0.00 H new ATOM 59 N ALA A 5 -7.210 -8.149 -6.410 1.00 0.00 N ATOM 60 CA ALA A 5 -5.963 -8.861 -6.611 1.00 0.00 C ATOM 61 C ALA A 5 -5.197 -8.119 -7.700 1.00 0.00 C ATOM 62 O ALA A 5 -5.641 -8.086 -8.856 1.00 0.00 O ATOM 63 CB ALA A 5 -6.228 -10.318 -7.002 1.00 0.00 C ATOM 0 H ALA A 5 -8.001 -8.540 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.377 -8.890 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.279 -10.834 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.791 -10.811 -6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -6.803 -10.348 -7.927 1.00 0.00 H new ATOM 69 N ILE A 6 -4.086 -7.486 -7.335 1.00 0.00 N ATOM 70 CA ILE A 6 -3.172 -6.843 -8.264 1.00 0.00 C ATOM 71 C ILE A 6 -2.016 -7.815 -8.499 1.00 0.00 C ATOM 72 O ILE A 6 -1.666 -8.600 -7.624 1.00 0.00 O ATOM 73 CB ILE A 6 -2.798 -5.428 -7.760 1.00 0.00 C ATOM 74 CG1 ILE A 6 -2.578 -5.225 -6.238 1.00 0.00 C ATOM 75 CG2 ILE A 6 -3.939 -4.486 -8.169 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.370 -5.933 -5.630 1.00 0.00 C ATOM 0 H ILE A 6 -3.792 -7.406 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 6 -3.616 -6.645 -9.240 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.824 -5.232 -8.209 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.481 -4.156 -6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.472 -5.563 -5.715 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.714 -3.474 -7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.044 -4.492 -9.254 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.870 -4.822 -7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.321 -5.717 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.466 -7.009 -5.778 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.460 -5.580 -6.114 1.00 0.00 H new ATOM 88 N THR A 7 -1.355 -7.732 -9.650 1.00 0.00 N ATOM 89 CA THR A 7 -0.334 -8.704 -10.038 1.00 0.00 C ATOM 90 C THR A 7 1.045 -8.367 -9.440 1.00 0.00 C ATOM 91 O THR A 7 2.081 -8.570 -10.065 1.00 0.00 O ATOM 92 CB THR A 7 -0.415 -8.829 -11.574 1.00 0.00 C ATOM 93 OG1 THR A 7 0.146 -10.034 -12.045 1.00 0.00 O ATOM 94 CG2 THR A 7 0.166 -7.638 -12.344 1.00 0.00 C ATOM 0 H THR A 7 -1.510 -6.994 -10.337 1.00 0.00 H new ATOM 0 HA THR A 7 -0.512 -9.693 -9.617 1.00 0.00 H new ATOM 0 HB THR A 7 -1.486 -8.834 -11.779 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.071 -10.070 -13.021 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.066 -7.813 -13.415 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.374 -6.731 -12.073 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.220 -7.521 -12.093 1.00 0.00 H new ATOM 102 N CYS A 8 1.067 -7.807 -8.229 1.00 0.00 N ATOM 103 CA CYS A 8 2.217 -7.371 -7.440 1.00 0.00 C ATOM 104 C CYS A 8 3.302 -6.544 -8.161 1.00 0.00 C ATOM 105 O CYS A 8 4.281 -6.154 -7.529 1.00 0.00 O ATOM 106 CB CYS A 8 2.840 -8.641 -6.850 1.00 0.00 C ATOM 107 SG CYS A 8 1.905 -9.487 -5.552 1.00 0.00 S ATOM 0 H CYS A 8 0.195 -7.631 -7.730 1.00 0.00 H new ATOM 0 HA CYS A 8 1.833 -6.668 -6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.005 -9.347 -7.664 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.820 -8.383 -6.448 1.00 0.00 H new ATOM 112 N PHE A 9 3.054 -6.042 -9.369 1.00 0.00 N ATOM 113 CA PHE A 9 3.959 -5.136 -10.081 1.00 0.00 C ATOM 114 C PHE A 9 3.427 -3.700 -9.969 1.00 0.00 C ATOM 115 O PHE A 9 4.159 -2.719 -10.098 1.00 0.00 O ATOM 116 CB PHE A 9 4.064 -5.596 -11.542 1.00 0.00 C ATOM 117 CG PHE A 9 5.128 -4.890 -12.360 1.00 0.00 C ATOM 118 CD1 PHE A 9 6.485 -5.013 -12.001 1.00 0.00 C ATOM 119 CD2 PHE A 9 4.778 -4.163 -13.516 1.00 0.00 C ATOM 120 CE1 PHE A 9 7.482 -4.418 -12.792 1.00 0.00 C ATOM 121 CE2 PHE A 9 5.781 -3.582 -14.313 1.00 0.00 C ATOM 122 CZ PHE A 9 7.132 -3.712 -13.954 1.00 0.00 C ATOM 0 H PHE A 9 2.204 -6.256 -9.891 1.00 0.00 H new ATOM 0 HA PHE A 9 4.957 -5.155 -9.643 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.267 -6.667 -11.557 1.00 0.00 H new ATOM 0 HB3 PHE A 9 3.098 -5.448 -12.024 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.759 -5.566 -11.115 1.00 0.00 H new ATOM 0 HD2 PHE A 9 3.739 -4.052 -13.790 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.520 -4.504 -12.506 1.00 0.00 H new ATOM 0 HE2 PHE A 9 5.511 -3.034 -15.204 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.901 -3.270 -14.571 1.00 0.00 H new ATOM 132 N THR A 10 2.129 -3.596 -9.705 1.00 0.00 N ATOM 133 CA THR A 10 1.285 -2.427 -9.589 1.00 0.00 C ATOM 134 C THR A 10 1.770 -1.508 -8.456 1.00 0.00 C ATOM 135 O THR A 10 2.089 -1.976 -7.361 1.00 0.00 O ATOM 136 CB THR A 10 -0.124 -3.007 -9.344 1.00 0.00 C ATOM 137 OG1 THR A 10 -0.383 -4.065 -10.261 1.00 0.00 O ATOM 138 CG2 THR A 10 -1.259 -1.999 -9.463 1.00 0.00 C ATOM 0 H THR A 10 1.581 -4.442 -9.549 1.00 0.00 H new ATOM 0 HA THR A 10 1.300 -1.791 -10.474 1.00 0.00 H new ATOM 0 HB THR A 10 -0.107 -3.353 -8.310 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.327 -4.321 -10.207 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.210 -2.498 -9.275 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.116 -1.202 -8.733 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.265 -1.574 -10.467 1.00 0.00 H new ATOM 146 N ARG A 11 1.843 -0.201 -8.716 1.00 0.00 N ATOM 147 CA ARG A 11 2.158 0.850 -7.753 1.00 0.00 C ATOM 148 C ARG A 11 0.866 1.478 -7.232 1.00 0.00 C ATOM 149 O ARG A 11 -0.212 1.268 -7.796 1.00 0.00 O ATOM 150 CB ARG A 11 3.020 1.912 -8.464 1.00 0.00 C ATOM 151 CG ARG A 11 4.387 1.357 -8.894 1.00 0.00 C ATOM 152 CD ARG A 11 5.131 2.314 -9.831 1.00 0.00 C ATOM 153 NE ARG A 11 4.488 2.323 -11.151 1.00 0.00 N ATOM 154 CZ ARG A 11 4.924 2.931 -12.257 1.00 0.00 C ATOM 155 NH1 ARG A 11 6.001 3.705 -12.234 1.00 0.00 N ATOM 156 NH2 ARG A 11 4.253 2.768 -13.389 1.00 0.00 N ATOM 0 H ARG A 11 1.675 0.169 -9.652 1.00 0.00 H new ATOM 0 HA ARG A 11 2.704 0.437 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.488 2.282 -9.340 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.168 2.762 -7.798 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.996 1.170 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.247 0.398 -9.393 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.133 3.320 -9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.172 2.007 -9.926 1.00 0.00 H new ATOM 0 HE ARG A 11 3.611 1.808 -11.232 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.511 3.844 -11.361 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.319 4.161 -13.089 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.416 2.185 -13.406 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.573 3.226 -14.242 1.00 0.00 H new ATOM 170 N GLY A 12 0.980 2.332 -6.217 1.00 0.00 N ATOM 171 CA GLY A 12 -0.109 3.130 -5.661 1.00 0.00 C ATOM 172 C GLY A 12 -0.624 4.207 -6.626 1.00 0.00 C ATOM 173 O GLY A 12 -1.365 5.095 -6.208 1.00 0.00 O ATOM 0 H GLY A 12 1.868 2.493 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.933 2.470 -5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.232 3.608 -4.742 1.00 0.00 H new ATOM 177 N LEU A 13 -0.161 4.211 -7.880 1.00 0.00 N ATOM 178 CA LEU A 13 -0.652 5.074 -8.944 1.00 0.00 C ATOM 179 C LEU A 13 -1.979 4.491 -9.432 1.00 0.00 C ATOM 180 O LEU A 13 -2.905 5.234 -9.746 1.00 0.00 O ATOM 181 CB LEU A 13 0.332 5.098 -10.124 1.00 0.00 C ATOM 182 CG LEU A 13 1.723 5.683 -9.834 1.00 0.00 C ATOM 183 CD1 LEU A 13 2.652 5.431 -11.025 1.00 0.00 C ATOM 184 CD2 LEU A 13 1.685 7.189 -9.553 1.00 0.00 C ATOM 0 H LEU A 13 0.590 3.592 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.769 6.090 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.458 4.078 -10.486 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.119 5.671 -10.935 1.00 0.00 H new ATOM 0 HG LEU A 13 2.093 5.183 -8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.636 5.848 -10.813 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.742 4.358 -11.196 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.240 5.907 -11.915 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.695 7.548 -9.355 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.278 7.711 -10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.055 7.381 -8.685 1.00 0.00 H new ATOM 196 N ASP A 14 -2.069 3.160 -9.508 1.00 0.00 N ATOM 197 CA ASP A 14 -3.281 2.448 -9.883 1.00 0.00 C ATOM 198 C ASP A 14 -4.301 2.474 -8.768 1.00 0.00 C ATOM 199 O ASP A 14 -5.385 3.035 -8.949 1.00 0.00 O ATOM 200 CB ASP A 14 -2.990 1.014 -10.334 1.00 0.00 C ATOM 201 CG ASP A 14 -2.539 0.982 -11.785 1.00 0.00 C ATOM 202 OD1 ASP A 14 -1.379 1.332 -12.100 1.00 0.00 O ATOM 203 OD2 ASP A 14 -3.421 0.708 -12.634 1.00 0.00 O ATOM 0 H ASP A 14 -1.284 2.541 -9.306 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.706 2.973 -10.739 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.218 0.579 -9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.884 0.402 -10.213 1.00 0.00 H new ATOM 208 N ILE A 15 -3.983 1.868 -7.620 1.00 0.00 N ATOM 209 CA ILE A 15 -4.954 1.787 -6.540 1.00 0.00 C ATOM 210 C ILE A 15 -4.862 3.101 -5.777 1.00 0.00 C ATOM 211 O ILE A 15 -4.107 3.272 -4.823 1.00 0.00 O ATOM 212 CB ILE A 15 -4.776 0.493 -5.712 1.00 0.00 C ATOM 213 CG1 ILE A 15 -5.125 -0.701 -6.639 1.00 0.00 C ATOM 214 CG2 ILE A 15 -5.680 0.488 -4.464 1.00 0.00 C ATOM 215 CD1 ILE A 15 -5.298 -2.059 -5.951 1.00 0.00 C ATOM 0 H ILE A 15 -3.080 1.437 -7.422 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.979 1.687 -6.898 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.749 0.422 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.047 -0.465 -7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.340 -0.794 -7.389 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.527 -0.437 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.430 1.339 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.724 0.559 -4.770 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.540 -2.816 -6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.372 -2.331 -5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.106 -1.997 -5.222 1.00 0.00 H new ATOM 227 N ARG A 16 -5.732 4.008 -6.205 1.00 0.00 N ATOM 228 CA ARG A 16 -5.999 5.306 -5.620 1.00 0.00 C ATOM 229 C ARG A 16 -7.489 5.321 -5.392 1.00 0.00 C ATOM 230 O ARG A 16 -8.260 5.910 -6.147 1.00 0.00 O ATOM 231 CB ARG A 16 -5.483 6.441 -6.512 1.00 0.00 C ATOM 232 CG ARG A 16 -3.973 6.632 -6.301 1.00 0.00 C ATOM 233 CD ARG A 16 -3.628 8.052 -5.852 1.00 0.00 C ATOM 234 NE ARG A 16 -3.567 8.968 -7.000 1.00 0.00 N ATOM 235 CZ ARG A 16 -4.222 10.117 -7.179 1.00 0.00 C ATOM 236 NH1 ARG A 16 -5.065 10.583 -6.259 1.00 0.00 N ATOM 237 NH2 ARG A 16 -3.997 10.805 -8.288 1.00 0.00 N ATOM 0 H ARG A 16 -6.308 3.838 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.472 5.470 -4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.686 6.213 -7.558 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.011 7.366 -6.279 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.619 5.921 -5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.447 6.408 -7.229 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.375 8.404 -5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.670 8.050 -5.333 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.944 8.690 -7.758 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.220 10.059 -5.398 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.555 11.463 -6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.336 10.454 -8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.485 11.686 -8.449 1.00 0.00 H new ATOM 251 N LYS A 17 -7.892 4.537 -4.402 1.00 0.00 N ATOM 252 CA LYS A 17 -9.247 4.455 -3.888 1.00 0.00 C ATOM 253 C LYS A 17 -9.270 5.200 -2.555 1.00 0.00 C ATOM 254 O LYS A 17 -8.214 5.585 -2.043 1.00 0.00 O ATOM 255 CB LYS A 17 -9.612 2.971 -3.691 1.00 0.00 C ATOM 256 CG LYS A 17 -9.472 2.052 -4.922 1.00 0.00 C ATOM 257 CD LYS A 17 -10.525 2.272 -6.013 1.00 0.00 C ATOM 258 CE LYS A 17 -10.139 3.408 -6.963 1.00 0.00 C ATOM 259 NZ LYS A 17 -11.143 3.586 -8.021 1.00 0.00 N ATOM 0 H LYS A 17 -7.250 3.912 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.969 4.899 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.986 2.570 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.644 2.918 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.483 2.199 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.524 1.015 -4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.654 1.352 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.485 2.498 -5.549 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.033 4.335 -6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.169 3.195 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.852 4.363 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.225 2.708 -8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.063 3.813 -7.592 1.00 0.00 H new ATOM 273 N GLU A 18 -10.455 5.396 -1.981 1.00 0.00 N ATOM 274 CA GLU A 18 -10.603 5.968 -0.643 1.00 0.00 C ATOM 275 C GLU A 18 -9.918 5.015 0.343 1.00 0.00 C ATOM 276 O GLU A 18 -9.209 5.440 1.253 1.00 0.00 O ATOM 277 CB GLU A 18 -12.097 6.201 -0.391 1.00 0.00 C ATOM 278 CG GLU A 18 -12.455 6.634 1.037 1.00 0.00 C ATOM 279 CD GLU A 18 -12.673 5.461 2.002 1.00 0.00 C ATOM 280 OE1 GLU A 18 -13.126 4.380 1.556 1.00 0.00 O ATOM 281 OE2 GLU A 18 -12.476 5.662 3.222 1.00 0.00 O ATOM 0 H GLU A 18 -11.341 5.163 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.122 6.939 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.453 6.962 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.636 5.282 -0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -11.658 7.269 1.425 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.360 7.241 1.007 1.00 0.00 H new ATOM 288 N LYS A 19 -10.096 3.719 0.121 1.00 0.00 N ATOM 289 CA LYS A 19 -9.464 2.606 0.795 1.00 0.00 C ATOM 290 C LYS A 19 -9.657 1.433 -0.158 1.00 0.00 C ATOM 291 O LYS A 19 -10.573 1.462 -0.993 1.00 0.00 O ATOM 292 CB LYS A 19 -10.024 2.374 2.208 1.00 0.00 C ATOM 293 CG LYS A 19 -11.368 1.642 2.248 1.00 0.00 C ATOM 294 CD LYS A 19 -11.978 1.720 3.648 1.00 0.00 C ATOM 295 CE LYS A 19 -13.271 0.910 3.715 1.00 0.00 C ATOM 296 NZ LYS A 19 -13.850 0.924 5.070 1.00 0.00 N ATOM 0 H LYS A 19 -10.744 3.399 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.406 2.779 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.296 1.802 2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.135 3.338 2.703 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.051 2.083 1.522 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.230 0.599 1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.267 1.342 4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.180 2.760 3.906 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.993 1.316 3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.073 -0.119 3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.727 0.364 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.171 0.514 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.062 1.904 5.347 1.00 0.00 H new ATOM 310 N ALA A 20 -8.790 0.437 -0.097 1.00 0.00 N ATOM 311 CA ALA A 20 -8.848 -0.715 -0.969 1.00 0.00 C ATOM 312 C ALA A 20 -8.338 -1.895 -0.185 1.00 0.00 C ATOM 313 O ALA A 20 -7.255 -1.835 0.396 1.00 0.00 O ATOM 314 CB ALA A 20 -7.989 -0.492 -2.213 1.00 0.00 C ATOM 0 H ALA A 20 -8.018 0.409 0.569 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.870 -0.888 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.046 -1.370 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.354 0.380 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.954 -0.327 -1.915 1.00 0.00 H new ATOM 320 N ASP A 21 -9.088 -2.979 -0.239 1.00 0.00 N ATOM 321 CA ASP A 21 -8.705 -4.245 0.347 1.00 0.00 C ATOM 322 C ASP A 21 -8.040 -4.936 -0.837 1.00 0.00 C ATOM 323 O ASP A 21 -8.659 -5.001 -1.898 1.00 0.00 O ATOM 324 CB ASP A 21 -9.949 -5.041 0.785 1.00 0.00 C ATOM 325 CG ASP A 21 -11.002 -4.295 1.602 1.00 0.00 C ATOM 326 OD1 ASP A 21 -10.685 -3.385 2.401 1.00 0.00 O ATOM 327 OD2 ASP A 21 -12.206 -4.610 1.431 1.00 0.00 O ATOM 0 H ASP A 21 -9.997 -3.003 -0.701 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.077 -4.151 1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.431 -5.434 -0.110 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.613 -5.898 1.368 1.00 0.00 H new ATOM 332 N VAL A 22 -6.778 -5.350 -0.753 1.00 0.00 N ATOM 333 CA VAL A 22 -6.086 -5.900 -1.923 1.00 0.00 C ATOM 334 C VAL A 22 -5.397 -7.225 -1.592 1.00 0.00 C ATOM 335 O VAL A 22 -5.116 -7.524 -0.431 1.00 0.00 O ATOM 336 CB VAL A 22 -5.136 -4.841 -2.557 1.00 0.00 C ATOM 337 CG1 VAL A 22 -5.794 -3.458 -2.704 1.00 0.00 C ATOM 338 CG2 VAL A 22 -3.838 -4.632 -1.767 1.00 0.00 C ATOM 0 H VAL A 22 -6.218 -5.318 0.099 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.826 -6.138 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.909 -5.262 -3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.084 -2.763 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.673 -3.539 -3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.092 -3.091 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.225 -3.881 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.076 -4.294 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.289 -5.572 -1.714 1.00 0.00 H new ATOM 348 N LEU A 23 -5.151 -8.036 -2.620 1.00 0.00 N ATOM 349 CA LEU A 23 -4.383 -9.276 -2.554 1.00 0.00 C ATOM 350 C LEU A 23 -3.200 -9.056 -3.467 1.00 0.00 C ATOM 351 O LEU A 23 -3.334 -8.438 -4.526 1.00 0.00 O ATOM 352 CB LEU A 23 -5.136 -10.556 -2.989 1.00 0.00 C ATOM 353 CG LEU A 23 -6.058 -11.245 -1.968 1.00 0.00 C ATOM 354 CD1 LEU A 23 -5.248 -11.885 -0.838 1.00 0.00 C ATOM 355 CD2 LEU A 23 -7.131 -10.321 -1.412 1.00 0.00 C ATOM 0 H LEU A 23 -5.496 -7.838 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.126 -9.464 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.737 -10.307 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.393 -11.286 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.581 -12.032 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.925 -12.365 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.570 -12.630 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.671 -11.117 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.747 -10.867 -0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.659 -9.475 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.756 -9.957 -2.227 1.00 0.00 H new ATOM 367 N CYS A 24 -2.061 -9.601 -3.066 1.00 0.00 N ATOM 368 CA CYS A 24 -0.850 -9.583 -3.848 1.00 0.00 C ATOM 369 C CYS A 24 -0.442 -11.052 -4.025 1.00 0.00 C ATOM 370 O CYS A 24 0.344 -11.552 -3.219 1.00 0.00 O ATOM 371 CB CYS A 24 0.184 -8.718 -3.115 1.00 0.00 C ATOM 372 SG CYS A 24 1.512 -8.066 -4.148 1.00 0.00 S ATOM 0 H CYS A 24 -1.959 -10.076 -2.169 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.959 -9.139 -4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.333 -7.881 -2.645 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.626 -9.310 -2.313 1.00 0.00 H new ATOM 377 N PRO A 25 -1.027 -11.784 -4.990 1.00 0.00 N ATOM 378 CA PRO A 25 -0.615 -13.144 -5.307 1.00 0.00 C ATOM 379 C PRO A 25 0.775 -13.157 -5.934 1.00 0.00 C ATOM 380 O PRO A 25 1.128 -12.290 -6.736 1.00 0.00 O ATOM 381 CB PRO A 25 -1.651 -13.666 -6.304 1.00 0.00 C ATOM 382 CG PRO A 25 -2.140 -12.385 -6.989 1.00 0.00 C ATOM 383 CD PRO A 25 -2.151 -11.399 -5.828 1.00 0.00 C ATOM 0 HA PRO A 25 -0.563 -13.763 -4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.211 -14.363 -7.017 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.464 -14.193 -5.804 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.471 -12.068 -7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.129 -12.509 -7.430 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.045 -10.373 -6.181 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.090 -11.451 -5.276 1.00 0.00 H new ATOM 391 N GLY A 26 1.503 -14.236 -5.692 1.00 0.00 N ATOM 392 CA GLY A 26 2.896 -14.393 -6.091 1.00 0.00 C ATOM 393 C GLY A 26 3.789 -14.143 -4.881 1.00 0.00 C ATOM 394 O GLY A 26 3.326 -13.623 -3.868 1.00 0.00 O ATOM 0 H GLY A 26 1.133 -15.049 -5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.065 -15.396 -6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.140 -13.693 -6.890 1.00 0.00 H new ATOM 398 N GLY A 27 5.077 -14.475 -4.973 1.00 0.00 N ATOM 399 CA GLY A 27 6.030 -14.226 -3.894 1.00 0.00 C ATOM 400 C GLY A 27 6.485 -12.767 -3.826 1.00 0.00 C ATOM 401 O GLY A 27 7.044 -12.356 -2.812 1.00 0.00 O ATOM 0 H GLY A 27 5.486 -14.922 -5.794 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.575 -14.504 -2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.901 -14.867 -4.030 1.00 0.00 H new ATOM 405 N CYS A 28 6.141 -11.973 -4.846 1.00 0.00 N ATOM 406 CA CYS A 28 6.562 -10.601 -5.083 1.00 0.00 C ATOM 407 C CYS A 28 8.051 -10.375 -4.782 1.00 0.00 C ATOM 408 O CYS A 28 8.394 -9.847 -3.719 1.00 0.00 O ATOM 409 CB CYS A 28 5.660 -9.579 -4.382 1.00 0.00 C ATOM 410 SG CYS A 28 5.909 -7.943 -5.116 1.00 0.00 S ATOM 0 H CYS A 28 5.514 -12.304 -5.579 1.00 0.00 H new ATOM 0 HA CYS A 28 6.442 -10.431 -6.153 1.00 0.00 H new ATOM 0 HB2 CYS A 28 4.615 -9.876 -4.477 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.888 -9.549 -3.316 1.00 0.00 H new ATOM 415 N PRO A 29 8.948 -10.818 -5.682 1.00 0.00 N ATOM 416 CA PRO A 29 10.370 -10.540 -5.561 1.00 0.00 C ATOM 417 C PRO A 29 10.598 -9.038 -5.739 1.00 0.00 C ATOM 418 O PRO A 29 9.749 -8.335 -6.300 1.00 0.00 O ATOM 419 CB PRO A 29 11.041 -11.366 -6.661 1.00 0.00 C ATOM 420 CG PRO A 29 9.970 -11.474 -7.745 1.00 0.00 C ATOM 421 CD PRO A 29 8.653 -11.431 -6.970 1.00 0.00 C ATOM 0 HA PRO A 29 10.784 -10.806 -4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.940 -10.877 -7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.341 -12.348 -6.296 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.040 -10.653 -8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.069 -12.399 -8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.904 -10.854 -7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.248 -12.434 -6.838 1.00 0.00 H new ATOM 429 N LEU A 30 11.762 -8.547 -5.301 1.00 0.00 N ATOM 430 CA LEU A 30 12.156 -7.147 -5.414 1.00 0.00 C ATOM 431 C LEU A 30 12.580 -6.844 -6.856 1.00 0.00 C ATOM 432 O LEU A 30 13.725 -6.497 -7.127 1.00 0.00 O ATOM 433 CB LEU A 30 13.266 -6.808 -4.397 1.00 0.00 C ATOM 434 CG LEU A 30 12.850 -7.031 -2.926 1.00 0.00 C ATOM 435 CD1 LEU A 30 13.309 -8.395 -2.386 1.00 0.00 C ATOM 436 CD2 LEU A 30 13.421 -5.930 -2.024 1.00 0.00 C ATOM 0 H LEU A 30 12.468 -9.128 -4.849 1.00 0.00 H new ATOM 0 HA LEU A 30 11.304 -6.510 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.143 -7.418 -4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.561 -5.767 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 30 11.760 -7.002 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.991 -8.501 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.866 -9.191 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.396 -8.461 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.115 -6.109 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.509 -5.937 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.046 -4.960 -2.351 1.00 0.00 H new ATOM 448 N GLU A 31 11.629 -6.967 -7.777 1.00 0.00 N ATOM 449 CA GLU A 31 11.736 -6.636 -9.189 1.00 0.00 C ATOM 450 C GLU A 31 11.850 -5.117 -9.324 1.00 0.00 C ATOM 451 O GLU A 31 12.777 -4.604 -9.942 1.00 0.00 O ATOM 452 CB GLU A 31 10.491 -7.215 -9.876 1.00 0.00 C ATOM 453 CG GLU A 31 10.398 -6.882 -11.369 1.00 0.00 C ATOM 454 CD GLU A 31 9.244 -7.628 -12.044 1.00 0.00 C ATOM 455 OE1 GLU A 31 8.158 -7.785 -11.436 1.00 0.00 O ATOM 456 OE2 GLU A 31 9.423 -8.082 -13.195 1.00 0.00 O ATOM 0 H GLU A 31 10.704 -7.324 -7.538 1.00 0.00 H new ATOM 0 HA GLU A 31 12.620 -7.060 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.491 -8.298 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.601 -6.837 -9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.260 -5.808 -11.495 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.336 -7.142 -11.859 1.00 0.00 H new ATOM 463 N GLU A 32 10.911 -4.392 -8.715 1.00 0.00 N ATOM 464 CA GLU A 32 10.939 -2.946 -8.627 1.00 0.00 C ATOM 465 C GLU A 32 10.299 -2.570 -7.295 1.00 0.00 C ATOM 466 O GLU A 32 9.071 -2.406 -7.263 1.00 0.00 O ATOM 467 CB GLU A 32 10.107 -2.275 -9.751 1.00 0.00 C ATOM 468 CG GLU A 32 10.725 -2.120 -11.143 1.00 0.00 C ATOM 469 CD GLU A 32 9.780 -1.317 -12.056 1.00 0.00 C ATOM 470 OE1 GLU A 32 9.272 -0.240 -11.651 1.00 0.00 O ATOM 471 OE2 GLU A 32 9.485 -1.758 -13.187 1.00 0.00 O ATOM 0 H GLU A 32 10.097 -4.809 -8.263 1.00 0.00 H new ATOM 0 HA GLU A 32 11.971 -2.609 -8.720 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.185 -2.845 -9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.827 -1.281 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.687 -1.614 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.914 -3.102 -11.577 1.00 0.00 H new ATOM 478 N PHE A 33 11.041 -2.482 -6.177 1.00 0.00 N ATOM 479 CA PHE A 33 10.406 -1.968 -4.983 1.00 0.00 C ATOM 480 C PHE A 33 11.043 -0.594 -4.927 1.00 0.00 C ATOM 481 O PHE A 33 12.243 -0.462 -4.696 1.00 0.00 O ATOM 482 CB PHE A 33 10.741 -2.804 -3.743 1.00 0.00 C ATOM 483 CG PHE A 33 10.002 -4.119 -3.546 1.00 0.00 C ATOM 484 CD1 PHE A 33 9.335 -4.787 -4.592 1.00 0.00 C ATOM 485 CD2 PHE A 33 10.001 -4.690 -2.262 1.00 0.00 C ATOM 486 CE1 PHE A 33 8.715 -6.022 -4.351 1.00 0.00 C ATOM 487 CE2 PHE A 33 9.358 -5.911 -2.011 1.00 0.00 C ATOM 488 CZ PHE A 33 8.725 -6.586 -3.064 1.00 0.00 C ATOM 0 H PHE A 33 12.022 -2.746 -6.088 1.00 0.00 H new ATOM 0 HA PHE A 33 9.316 -1.974 -5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.809 -3.021 -3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 33 10.560 -2.185 -2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.301 -4.349 -5.578 1.00 0.00 H new ATOM 0 HD2 PHE A 33 10.504 -4.180 -1.454 1.00 0.00 H new ATOM 0 HE1 PHE A 33 8.226 -6.543 -5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 33 9.351 -6.328 -1.015 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.246 -7.538 -2.886 1.00 0.00 H new ATOM 498 N SER A 34 10.231 0.428 -5.134 1.00 0.00 N ATOM 499 CA SER A 34 10.606 1.813 -4.995 1.00 0.00 C ATOM 500 C SER A 34 9.548 2.344 -4.058 1.00 0.00 C ATOM 501 O SER A 34 8.353 2.139 -4.305 1.00 0.00 O ATOM 502 CB SER A 34 10.670 2.520 -6.351 1.00 0.00 C ATOM 503 OG SER A 34 11.351 3.752 -6.207 1.00 0.00 O ATOM 0 H SER A 34 9.258 0.305 -5.414 1.00 0.00 H new ATOM 0 HA SER A 34 11.609 1.974 -4.600 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.184 1.891 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.663 2.691 -6.732 1.00 0.00 H new ATOM 0 HG SER A 34 10.759 4.486 -6.474 1.00 0.00 H new ATOM 509 N VAL A 35 9.962 2.941 -2.955 1.00 0.00 N ATOM 510 CA VAL A 35 9.054 3.450 -1.951 1.00 0.00 C ATOM 511 C VAL A 35 9.421 4.918 -1.794 1.00 0.00 C ATOM 512 O VAL A 35 10.576 5.313 -1.996 1.00 0.00 O ATOM 513 CB VAL A 35 9.161 2.575 -0.685 1.00 0.00 C ATOM 514 CG1 VAL A 35 8.122 2.964 0.360 1.00 0.00 C ATOM 515 CG2 VAL A 35 8.910 1.096 -1.018 1.00 0.00 C ATOM 0 H VAL A 35 10.947 3.086 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 35 7.996 3.398 -2.210 1.00 0.00 H new ATOM 0 HB VAL A 35 10.168 2.729 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.230 2.325 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.269 4.004 0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.123 2.841 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.991 0.500 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.911 0.982 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.650 0.756 -1.742 1.00 0.00 H new ATOM 525 N TYR A 36 8.437 5.751 -1.485 1.00 0.00 N ATOM 526 CA TYR A 36 8.636 7.179 -1.431 1.00 0.00 C ATOM 527 C TYR A 36 7.897 7.682 -0.201 1.00 0.00 C ATOM 528 O TYR A 36 6.668 7.771 -0.215 1.00 0.00 O ATOM 529 CB TYR A 36 8.194 7.849 -2.734 1.00 0.00 C ATOM 530 CG TYR A 36 8.764 7.338 -4.046 1.00 0.00 C ATOM 531 CD1 TYR A 36 8.325 6.110 -4.567 1.00 0.00 C ATOM 532 CD2 TYR A 36 9.662 8.127 -4.793 1.00 0.00 C ATOM 533 CE1 TYR A 36 8.801 5.640 -5.800 1.00 0.00 C ATOM 534 CE2 TYR A 36 10.161 7.660 -6.022 1.00 0.00 C ATOM 535 CZ TYR A 36 9.734 6.410 -6.528 1.00 0.00 C ATOM 536 OH TYR A 36 10.207 5.940 -7.717 1.00 0.00 O ATOM 0 H TYR A 36 7.487 5.451 -1.267 1.00 0.00 H new ATOM 0 HA TYR A 36 9.692 7.435 -1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 36 7.108 7.773 -2.793 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.436 8.909 -2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.612 5.520 -4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 36 9.968 9.093 -4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.456 4.694 -6.190 1.00 0.00 H new ATOM 0 HE2 TYR A 36 10.870 8.255 -6.579 1.00 0.00 H new ATOM 0 HH TYR A 36 10.840 6.585 -8.095 1.00 0.00 H new ATOM 546 N GLY A 37 8.659 7.966 0.855 1.00 0.00 N ATOM 547 CA GLY A 37 8.175 8.333 2.170 1.00 0.00 C ATOM 548 C GLY A 37 7.859 7.061 2.950 1.00 0.00 C ATOM 549 O GLY A 37 7.480 6.046 2.368 1.00 0.00 O ATOM 0 H GLY A 37 9.678 7.943 0.806 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.925 8.923 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.284 8.954 2.084 1.00 0.00 H new ATOM 553 N ASN A 38 8.065 7.087 4.266 1.00 0.00 N ATOM 554 CA ASN A 38 7.688 5.991 5.153 1.00 0.00 C ATOM 555 C ASN A 38 6.319 6.337 5.736 1.00 0.00 C ATOM 556 O ASN A 38 6.086 7.505 6.060 1.00 0.00 O ATOM 557 CB ASN A 38 8.753 5.786 6.240 1.00 0.00 C ATOM 558 CG ASN A 38 8.682 6.829 7.346 1.00 0.00 C ATOM 559 OD1 ASN A 38 8.944 8.016 7.148 1.00 0.00 O ATOM 560 ND2 ASN A 38 8.334 6.415 8.545 1.00 0.00 N ATOM 0 H ASN A 38 8.500 7.874 4.748 1.00 0.00 H new ATOM 0 HA ASN A 38 7.626 5.046 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.634 4.794 6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.742 5.816 5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.280 7.078 9.318 1.00 0.00 H new ATOM 0 HD22 ASN A 38 8.118 5.430 8.702 1.00 0.00 H new ATOM 567 N ILE A 39 5.442 5.345 5.931 1.00 0.00 N ATOM 568 CA ILE A 39 4.040 5.487 6.352 1.00 0.00 C ATOM 569 C ILE A 39 3.247 6.251 5.287 1.00 0.00 C ATOM 570 O ILE A 39 2.313 5.688 4.725 1.00 0.00 O ATOM 571 CB ILE A 39 3.894 6.012 7.802 1.00 0.00 C ATOM 572 CG1 ILE A 39 4.457 5.023 8.845 1.00 0.00 C ATOM 573 CG2 ILE A 39 2.435 6.354 8.142 1.00 0.00 C ATOM 574 CD1 ILE A 39 3.789 3.641 8.869 1.00 0.00 C ATOM 0 H ILE A 39 5.704 4.369 5.792 1.00 0.00 H new ATOM 0 HA ILE A 39 3.585 4.499 6.413 1.00 0.00 H new ATOM 0 HB ILE A 39 4.486 6.926 7.849 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.522 4.890 8.656 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.362 5.471 9.834 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.376 6.718 9.168 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.074 7.125 7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.818 5.461 8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.258 3.024 9.635 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.728 3.754 9.092 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.906 3.163 7.896 1.00 0.00 H new ATOM 586 N VAL A 40 3.565 7.520 5.035 1.00 0.00 N ATOM 587 CA VAL A 40 2.980 8.293 3.959 1.00 0.00 C ATOM 588 C VAL A 40 3.765 7.818 2.742 1.00 0.00 C ATOM 589 O VAL A 40 4.841 8.336 2.442 1.00 0.00 O ATOM 590 CB VAL A 40 3.152 9.800 4.219 1.00 0.00 C ATOM 591 CG1 VAL A 40 2.721 10.675 3.028 1.00 0.00 C ATOM 592 CG2 VAL A 40 2.320 10.220 5.435 1.00 0.00 C ATOM 0 H VAL A 40 4.248 8.041 5.586 1.00 0.00 H new ATOM 0 HA VAL A 40 1.905 8.153 3.841 1.00 0.00 H new ATOM 0 HB VAL A 40 4.217 9.956 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.868 11.726 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.322 10.422 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.668 10.498 2.808 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.448 11.288 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.268 10.006 5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.652 9.665 6.312 1.00 0.00 H new ATOM 602 N TYR A 41 3.217 6.823 2.064 1.00 0.00 N ATOM 603 CA TYR A 41 3.730 6.306 0.820 1.00 0.00 C ATOM 604 C TYR A 41 3.099 7.168 -0.263 1.00 0.00 C ATOM 605 O TYR A 41 1.874 7.191 -0.409 1.00 0.00 O ATOM 606 CB TYR A 41 3.367 4.815 0.719 1.00 0.00 C ATOM 607 CG TYR A 41 3.998 3.990 1.832 1.00 0.00 C ATOM 608 CD1 TYR A 41 5.396 3.911 1.912 1.00 0.00 C ATOM 609 CD2 TYR A 41 3.219 3.398 2.843 1.00 0.00 C ATOM 610 CE1 TYR A 41 6.027 3.266 2.989 1.00 0.00 C ATOM 611 CE2 TYR A 41 3.839 2.763 3.938 1.00 0.00 C ATOM 612 CZ TYR A 41 5.250 2.698 4.017 1.00 0.00 C ATOM 613 OH TYR A 41 5.859 2.189 5.125 1.00 0.00 O ATOM 0 H TYR A 41 2.375 6.342 2.381 1.00 0.00 H new ATOM 0 HA TYR A 41 4.815 6.354 0.728 1.00 0.00 H new ATOM 0 HB2 TYR A 41 2.283 4.704 0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.693 4.428 -0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.998 4.354 1.132 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.141 3.430 2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.105 3.206 3.028 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.235 2.325 4.719 1.00 0.00 H new ATOM 0 HH TYR A 41 6.804 2.016 4.929 1.00 0.00 H new ATOM 623 N ALA A 42 3.899 7.952 -0.986 1.00 0.00 N ATOM 624 CA ALA A 42 3.369 8.699 -2.118 1.00 0.00 C ATOM 625 C ALA A 42 2.903 7.704 -3.182 1.00 0.00 C ATOM 626 O ALA A 42 3.424 6.589 -3.263 1.00 0.00 O ATOM 627 CB ALA A 42 4.415 9.649 -2.684 1.00 0.00 C ATOM 0 H ALA A 42 4.895 8.083 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 42 2.526 9.308 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.993 10.194 -3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.721 10.355 -1.912 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.282 9.079 -3.018 1.00 0.00 H new ATOM 633 N SER A 43 1.977 8.140 -4.033 1.00 0.00 N ATOM 634 CA SER A 43 1.293 7.345 -5.049 1.00 0.00 C ATOM 635 C SER A 43 2.253 6.475 -5.880 1.00 0.00 C ATOM 636 O SER A 43 1.968 5.308 -6.116 1.00 0.00 O ATOM 637 CB SER A 43 0.479 8.340 -5.890 1.00 0.00 C ATOM 638 OG SER A 43 -0.513 7.774 -6.710 1.00 0.00 O ATOM 0 H SER A 43 1.667 9.112 -4.032 1.00 0.00 H new ATOM 0 HA SER A 43 0.633 6.609 -4.589 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.005 9.054 -5.217 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.167 8.904 -6.520 1.00 0.00 H new ATOM 0 HG SER A 43 -0.707 6.863 -6.407 1.00 0.00 H new ATOM 644 N VAL A 44 3.415 6.987 -6.281 1.00 0.00 N ATOM 645 CA VAL A 44 4.385 6.255 -7.099 1.00 0.00 C ATOM 646 C VAL A 44 4.986 5.013 -6.403 1.00 0.00 C ATOM 647 O VAL A 44 5.594 4.177 -7.073 1.00 0.00 O ATOM 648 CB VAL A 44 5.426 7.273 -7.612 1.00 0.00 C ATOM 649 CG1 VAL A 44 6.083 8.063 -6.466 1.00 0.00 C ATOM 650 CG2 VAL A 44 6.478 6.665 -8.545 1.00 0.00 C ATOM 0 H VAL A 44 3.715 7.933 -6.045 1.00 0.00 H new ATOM 0 HA VAL A 44 3.878 5.806 -7.953 1.00 0.00 H new ATOM 0 HB VAL A 44 4.856 7.977 -8.219 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.807 8.766 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.318 8.611 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.590 7.372 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.174 7.441 -8.864 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.024 5.883 -8.017 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.986 6.238 -9.419 1.00 0.00 H new ATOM 660 N SER A 45 4.829 4.859 -5.086 1.00 0.00 N ATOM 661 CA SER A 45 5.385 3.729 -4.356 1.00 0.00 C ATOM 662 C SER A 45 4.795 2.401 -4.838 1.00 0.00 C ATOM 663 O SER A 45 3.600 2.301 -5.125 1.00 0.00 O ATOM 664 CB SER A 45 5.125 3.883 -2.852 1.00 0.00 C ATOM 665 OG SER A 45 5.573 5.139 -2.374 1.00 0.00 O ATOM 0 H SER A 45 4.313 5.516 -4.501 1.00 0.00 H new ATOM 0 HA SER A 45 6.459 3.718 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.059 3.776 -2.653 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.632 3.084 -2.310 1.00 0.00 H new ATOM 0 HG SER A 45 4.915 5.829 -2.602 1.00 0.00 H new ATOM 671 N SER A 46 5.644 1.379 -4.906 1.00 0.00 N ATOM 672 CA SER A 46 5.265 0.006 -5.205 1.00 0.00 C ATOM 673 C SER A 46 4.262 -0.418 -4.128 1.00 0.00 C ATOM 674 O SER A 46 4.435 -0.046 -2.964 1.00 0.00 O ATOM 675 CB SER A 46 6.548 -0.829 -5.164 1.00 0.00 C ATOM 676 OG SER A 46 6.305 -2.214 -5.219 1.00 0.00 O ATOM 0 H SER A 46 6.646 1.490 -4.749 1.00 0.00 H new ATOM 0 HA SER A 46 4.801 -0.121 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.187 -0.544 -6.000 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.096 -0.598 -4.251 1.00 0.00 H new ATOM 0 HG SER A 46 7.157 -2.697 -5.191 1.00 0.00 H new ATOM 682 N ILE A 47 3.227 -1.185 -4.483 1.00 0.00 N ATOM 683 CA ILE A 47 2.304 -1.714 -3.481 1.00 0.00 C ATOM 684 C ILE A 47 3.080 -2.727 -2.633 1.00 0.00 C ATOM 685 O ILE A 47 3.036 -2.619 -1.410 1.00 0.00 O ATOM 686 CB ILE A 47 1.014 -2.283 -4.124 1.00 0.00 C ATOM 687 CG1 ILE A 47 0.212 -1.122 -4.761 1.00 0.00 C ATOM 688 CG2 ILE A 47 0.137 -3.012 -3.085 1.00 0.00 C ATOM 689 CD1 ILE A 47 -1.007 -1.559 -5.582 1.00 0.00 C ATOM 0 H ILE A 47 3.011 -1.450 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 47 1.940 -0.920 -2.829 1.00 0.00 H new ATOM 0 HB ILE A 47 1.300 -3.008 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.122 -0.452 -3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.879 -0.548 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.759 -3.398 -3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.699 -3.839 -2.651 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.150 -2.315 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.506 -0.679 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.683 -2.203 -6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.700 -2.106 -4.942 1.00 0.00 H new ATOM 701 N CYS A 48 3.823 -3.659 -3.246 1.00 0.00 N ATOM 702 CA CYS A 48 4.688 -4.583 -2.522 1.00 0.00 C ATOM 703 C CYS A 48 5.714 -3.814 -1.714 1.00 0.00 C ATOM 704 O CYS A 48 5.851 -4.074 -0.524 1.00 0.00 O ATOM 705 CB CYS A 48 5.456 -5.515 -3.453 1.00 0.00 C ATOM 706 SG CYS A 48 4.482 -6.743 -4.313 1.00 0.00 S ATOM 0 H CYS A 48 3.837 -3.788 -4.258 1.00 0.00 H new ATOM 0 HA CYS A 48 4.033 -5.174 -1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.976 -4.908 -4.194 1.00 0.00 H new ATOM 0 HB3 CYS A 48 6.220 -6.029 -2.870 1.00 0.00 H new ATOM 711 N GLY A 49 6.430 -2.881 -2.347 1.00 0.00 N ATOM 712 CA GLY A 49 7.450 -2.089 -1.687 1.00 0.00 C ATOM 713 C GLY A 49 6.883 -1.445 -0.430 1.00 0.00 C ATOM 714 O GLY A 49 7.410 -1.679 0.651 1.00 0.00 O ATOM 0 H GLY A 49 6.312 -2.659 -3.336 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.301 -2.720 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.818 -1.319 -2.365 1.00 0.00 H new ATOM 718 N ALA A 50 5.800 -0.672 -0.554 1.00 0.00 N ATOM 719 CA ALA A 50 5.149 -0.024 0.574 1.00 0.00 C ATOM 720 C ALA A 50 4.715 -1.053 1.618 1.00 0.00 C ATOM 721 O ALA A 50 4.956 -0.843 2.802 1.00 0.00 O ATOM 722 CB ALA A 50 3.949 0.797 0.089 1.00 0.00 C ATOM 0 H ALA A 50 5.352 -0.481 -1.450 1.00 0.00 H new ATOM 0 HA ALA A 50 5.864 0.649 1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.469 1.278 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.289 1.558 -0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.235 0.139 -0.406 1.00 0.00 H new ATOM 728 N ALA A 51 4.075 -2.149 1.204 1.00 0.00 N ATOM 729 CA ALA A 51 3.540 -3.165 2.098 1.00 0.00 C ATOM 730 C ALA A 51 4.647 -3.840 2.905 1.00 0.00 C ATOM 731 O ALA A 51 4.540 -3.919 4.127 1.00 0.00 O ATOM 732 CB ALA A 51 2.713 -4.179 1.301 1.00 0.00 C ATOM 0 H ALA A 51 3.914 -2.354 0.218 1.00 0.00 H new ATOM 0 HA ALA A 51 2.882 -2.682 2.820 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.316 -4.936 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.888 -3.667 0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.346 -4.656 0.553 1.00 0.00 H new ATOM 738 N VAL A 52 5.677 -4.365 2.248 1.00 0.00 N ATOM 739 CA VAL A 52 6.802 -5.016 2.900 1.00 0.00 C ATOM 740 C VAL A 52 7.615 -4.005 3.726 1.00 0.00 C ATOM 741 O VAL A 52 8.055 -4.344 4.824 1.00 0.00 O ATOM 742 CB VAL A 52 7.616 -5.841 1.876 1.00 0.00 C ATOM 743 CG1 VAL A 52 8.713 -6.660 2.571 1.00 0.00 C ATOM 744 CG2 VAL A 52 6.754 -6.857 1.100 1.00 0.00 C ATOM 0 H VAL A 52 5.752 -4.348 1.231 1.00 0.00 H new ATOM 0 HA VAL A 52 6.444 -5.743 3.629 1.00 0.00 H new ATOM 0 HB VAL A 52 8.032 -5.102 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.269 -7.230 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.392 -5.988 3.095 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.258 -7.345 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.382 -7.405 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.297 -7.556 1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.973 -6.329 0.553 1.00 0.00 H new ATOM 754 N HIS A 53 7.760 -2.752 3.276 1.00 0.00 N ATOM 755 CA HIS A 53 8.409 -1.678 4.036 1.00 0.00 C ATOM 756 C HIS A 53 7.659 -1.459 5.355 1.00 0.00 C ATOM 757 O HIS A 53 8.221 -1.548 6.449 1.00 0.00 O ATOM 758 CB HIS A 53 8.462 -0.404 3.170 1.00 0.00 C ATOM 759 CG HIS A 53 9.206 0.751 3.780 1.00 0.00 C ATOM 760 ND1 HIS A 53 8.722 1.617 4.763 1.00 0.00 N ATOM 761 CD2 HIS A 53 10.494 1.075 3.479 1.00 0.00 C ATOM 762 CE1 HIS A 53 9.769 2.405 5.071 1.00 0.00 C ATOM 763 NE2 HIS A 53 10.840 2.111 4.311 1.00 0.00 N ATOM 0 H HIS A 53 7.425 -2.452 2.360 1.00 0.00 H new ATOM 0 HA HIS A 53 9.434 -1.949 4.287 1.00 0.00 H new ATOM 0 HB2 HIS A 53 8.926 -0.651 2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 53 7.442 -0.086 2.956 1.00 0.00 H new ATOM 0 HD2 HIS A 53 11.120 0.609 2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.752 3.173 5.830 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.748 2.575 4.347 1.00 0.00 H new ATOM 771 N ARG A 54 6.348 -1.250 5.257 1.00 0.00 N ATOM 772 CA ARG A 54 5.383 -1.136 6.347 1.00 0.00 C ATOM 773 C ARG A 54 5.333 -2.391 7.233 1.00 0.00 C ATOM 774 O ARG A 54 4.823 -2.316 8.352 1.00 0.00 O ATOM 775 CB ARG A 54 4.031 -0.776 5.712 1.00 0.00 C ATOM 776 CG ARG A 54 2.826 -0.750 6.642 1.00 0.00 C ATOM 777 CD ARG A 54 2.955 0.164 7.864 1.00 0.00 C ATOM 778 NE ARG A 54 1.734 0.095 8.674 1.00 0.00 N ATOM 779 CZ ARG A 54 1.177 -1.005 9.192 1.00 0.00 C ATOM 780 NH1 ARG A 54 1.857 -2.146 9.324 1.00 0.00 N ATOM 781 NH2 ARG A 54 -0.100 -0.930 9.539 1.00 0.00 N ATOM 0 H ARG A 54 5.900 -1.149 4.346 1.00 0.00 H new ATOM 0 HA ARG A 54 5.682 -0.351 7.041 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.124 0.206 5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.829 -1.489 4.913 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.953 -0.439 6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.635 -1.766 6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.816 -0.135 8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.131 1.191 7.543 1.00 0.00 H new ATOM 0 HE ARG A 54 1.260 0.979 8.862 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.831 -2.197 9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.403 -2.967 9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.614 -0.059 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.569 -1.743 9.938 1.00 0.00 H new ATOM 795 N GLY A 55 5.738 -3.554 6.725 1.00 0.00 N ATOM 796 CA GLY A 55 5.700 -4.805 7.465 1.00 0.00 C ATOM 797 C GLY A 55 4.309 -5.436 7.457 1.00 0.00 C ATOM 798 O GLY A 55 3.972 -6.175 8.378 1.00 0.00 O ATOM 0 H GLY A 55 6.105 -3.650 5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.417 -5.503 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.010 -4.626 8.494 1.00 0.00 H new ATOM 802 N VAL A 56 3.469 -5.120 6.466 1.00 0.00 N ATOM 803 CA VAL A 56 2.168 -5.757 6.285 1.00 0.00 C ATOM 804 C VAL A 56 2.405 -7.238 5.988 1.00 0.00 C ATOM 805 O VAL A 56 1.859 -8.105 6.665 1.00 0.00 O ATOM 806 CB VAL A 56 1.394 -5.081 5.134 1.00 0.00 C ATOM 807 CG1 VAL A 56 0.013 -5.696 4.922 1.00 0.00 C ATOM 808 CG2 VAL A 56 1.192 -3.584 5.376 1.00 0.00 C ATOM 0 H VAL A 56 3.678 -4.410 5.764 1.00 0.00 H new ATOM 0 HA VAL A 56 1.566 -5.653 7.188 1.00 0.00 H new ATOM 0 HB VAL A 56 2.012 -5.240 4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.491 -5.185 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.119 -6.754 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.577 -5.589 5.832 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.643 -3.151 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.627 -3.437 6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.162 -3.096 5.464 1.00 0.00 H new ATOM 818 N ILE A 57 3.224 -7.514 4.974 1.00 0.00 N ATOM 819 CA ILE A 57 3.591 -8.831 4.480 1.00 0.00 C ATOM 820 C ILE A 57 5.109 -8.842 4.300 1.00 0.00 C ATOM 821 O ILE A 57 5.765 -7.804 4.404 1.00 0.00 O ATOM 822 CB ILE A 57 2.882 -9.129 3.129 1.00 0.00 C ATOM 823 CG1 ILE A 57 3.088 -7.994 2.095 1.00 0.00 C ATOM 824 CG2 ILE A 57 1.381 -9.401 3.321 1.00 0.00 C ATOM 825 CD1 ILE A 57 2.962 -8.456 0.640 1.00 0.00 C ATOM 0 H ILE A 57 3.677 -6.770 4.443 1.00 0.00 H new ATOM 0 HA ILE A 57 3.281 -9.602 5.185 1.00 0.00 H new ATOM 0 HB ILE A 57 3.349 -10.031 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.357 -7.207 2.282 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.074 -7.554 2.243 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.922 -9.605 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.248 -10.263 3.975 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.908 -8.528 3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.118 -7.607 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.711 -9.221 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.967 -8.869 0.474 1.00 0.00 H new ATOM 837 N SER A 58 5.672 -10.017 4.074 1.00 0.00 N ATOM 838 CA SER A 58 7.068 -10.264 3.737 1.00 0.00 C ATOM 839 C SER A 58 7.112 -10.630 2.248 1.00 0.00 C ATOM 840 O SER A 58 6.066 -10.596 1.586 1.00 0.00 O ATOM 841 CB SER A 58 7.632 -11.353 4.644 1.00 0.00 C ATOM 842 OG SER A 58 7.670 -10.880 5.980 1.00 0.00 O ATOM 0 H SER A 58 5.133 -10.881 4.124 1.00 0.00 H new ATOM 0 HA SER A 58 7.695 -9.387 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.015 -12.249 4.581 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.634 -11.632 4.317 1.00 0.00 H new ATOM 0 HG SER A 58 8.031 -11.579 6.564 1.00 0.00 H new ATOM 848 N ASN A 59 8.304 -10.847 1.677 1.00 0.00 N ATOM 849 CA ASN A 59 8.475 -11.342 0.304 1.00 0.00 C ATOM 850 C ASN A 59 7.882 -12.758 0.220 1.00 0.00 C ATOM 851 O ASN A 59 8.566 -13.776 0.191 1.00 0.00 O ATOM 852 CB ASN A 59 10.000 -11.382 0.063 1.00 0.00 C ATOM 853 CG ASN A 59 10.424 -12.134 -1.192 1.00 0.00 C ATOM 854 OD1 ASN A 59 11.171 -13.105 -1.087 1.00 0.00 O ATOM 855 ND2 ASN A 59 9.953 -11.764 -2.364 1.00 0.00 N ATOM 0 H ASN A 59 9.187 -10.682 2.161 1.00 0.00 H new ATOM 0 HA ASN A 59 7.978 -10.717 -0.438 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.372 -10.359 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.479 -11.843 0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.207 -12.285 -3.203 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.334 -10.956 -2.433 1.00 0.00 H new ATOM 862 N SER A 60 6.564 -12.828 0.245 1.00 0.00 N ATOM 863 CA SER A 60 5.715 -13.978 0.072 1.00 0.00 C ATOM 864 C SER A 60 4.402 -13.588 -0.602 1.00 0.00 C ATOM 865 O SER A 60 3.662 -14.497 -0.962 1.00 0.00 O ATOM 866 CB SER A 60 5.456 -14.587 1.453 1.00 0.00 C ATOM 867 OG SER A 60 4.809 -15.843 1.355 1.00 0.00 O ATOM 0 H SER A 60 6.009 -11.987 0.405 1.00 0.00 H new ATOM 0 HA SER A 60 6.204 -14.708 -0.573 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.401 -14.704 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.842 -13.906 2.043 1.00 0.00 H new ATOM 0 HG SER A 60 4.302 -15.885 0.518 1.00 0.00 H new ATOM 873 N GLY A 61 4.066 -12.293 -0.685 1.00 0.00 N ATOM 874 CA GLY A 61 2.773 -11.832 -1.176 1.00 0.00 C ATOM 875 C GLY A 61 1.722 -12.106 -0.094 1.00 0.00 C ATOM 876 O GLY A 61 2.037 -12.692 0.949 1.00 0.00 O ATOM 0 H GLY A 61 4.692 -11.536 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.812 -10.767 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.511 -12.349 -2.099 1.00 0.00 H new ATOM 880 N GLY A 62 0.468 -11.716 -0.315 1.00 0.00 N ATOM 881 CA GLY A 62 -0.588 -11.912 0.673 1.00 0.00 C ATOM 882 C GLY A 62 -1.631 -10.797 0.681 1.00 0.00 C ATOM 883 O GLY A 62 -1.624 -9.948 -0.216 1.00 0.00 O ATOM 0 H GLY A 62 0.159 -11.261 -1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.085 -12.862 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.139 -11.985 1.663 1.00 0.00 H new ATOM 887 N PRO A 63 -2.568 -10.830 1.646 1.00 0.00 N ATOM 888 CA PRO A 63 -3.560 -9.784 1.853 1.00 0.00 C ATOM 889 C PRO A 63 -2.898 -8.507 2.367 1.00 0.00 C ATOM 890 O PRO A 63 -2.033 -8.538 3.244 1.00 0.00 O ATOM 891 CB PRO A 63 -4.551 -10.365 2.865 1.00 0.00 C ATOM 892 CG PRO A 63 -3.698 -11.322 3.692 1.00 0.00 C ATOM 893 CD PRO A 63 -2.707 -11.864 2.663 1.00 0.00 C ATOM 0 HA PRO A 63 -4.065 -9.501 0.929 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.995 -9.586 3.485 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.371 -10.885 2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.192 -10.809 4.510 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.297 -12.118 4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.746 -12.085 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.070 -12.794 2.225 1.00 0.00 H new ATOM 901 N VAL A 64 -3.330 -7.373 1.829 1.00 0.00 N ATOM 902 CA VAL A 64 -2.871 -6.034 2.155 1.00 0.00 C ATOM 903 C VAL A 64 -4.127 -5.142 2.111 1.00 0.00 C ATOM 904 O VAL A 64 -5.164 -5.519 1.565 1.00 0.00 O ATOM 905 CB VAL A 64 -1.762 -5.643 1.139 1.00 0.00 C ATOM 906 CG1 VAL A 64 -1.188 -4.243 1.301 1.00 0.00 C ATOM 907 CG2 VAL A 64 -0.572 -6.621 1.096 1.00 0.00 C ATOM 0 H VAL A 64 -4.054 -7.366 1.110 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.417 -5.935 3.141 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.319 -5.686 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.423 -4.073 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.984 -3.508 1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.745 -4.144 2.292 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.156 -6.276 0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.103 -6.667 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.926 -7.613 0.816 1.00 0.00 H new ATOM 917 N ARG A 65 -4.077 -3.943 2.681 1.00 0.00 N ATOM 918 CA ARG A 65 -5.178 -2.986 2.655 1.00 0.00 C ATOM 919 C ARG A 65 -4.610 -1.581 2.584 1.00 0.00 C ATOM 920 O ARG A 65 -3.924 -1.133 3.505 1.00 0.00 O ATOM 921 CB ARG A 65 -6.102 -3.209 3.858 1.00 0.00 C ATOM 922 CG ARG A 65 -7.278 -2.215 3.885 1.00 0.00 C ATOM 923 CD ARG A 65 -8.406 -2.697 4.799 1.00 0.00 C ATOM 924 NE ARG A 65 -7.920 -2.997 6.152 1.00 0.00 N ATOM 925 CZ ARG A 65 -8.654 -3.439 7.174 1.00 0.00 C ATOM 926 NH1 ARG A 65 -9.963 -3.627 7.056 1.00 0.00 N ATOM 927 NH2 ARG A 65 -8.044 -3.722 8.314 1.00 0.00 N ATOM 0 H ARG A 65 -3.257 -3.603 3.183 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.795 -3.132 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.490 -4.227 3.831 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.526 -3.112 4.778 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.924 -1.242 4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -7.662 -2.078 2.874 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.182 -1.934 4.852 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.865 -3.589 4.371 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.925 -2.854 6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -10.428 -3.433 6.169 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.503 -3.966 7.852 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.035 -3.600 8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.583 -4.062 9.110 1.00 0.00 H new ATOM 941 N VAL A 66 -4.835 -0.915 1.462 1.00 0.00 N ATOM 942 CA VAL A 66 -4.441 0.468 1.226 1.00 0.00 C ATOM 943 C VAL A 66 -5.526 1.385 1.807 1.00 0.00 C ATOM 944 O VAL A 66 -6.715 1.080 1.712 1.00 0.00 O ATOM 945 CB VAL A 66 -4.267 0.673 -0.299 1.00 0.00 C ATOM 946 CG1 VAL A 66 -3.915 2.119 -0.678 1.00 0.00 C ATOM 947 CG2 VAL A 66 -3.178 -0.250 -0.878 1.00 0.00 C ATOM 0 H VAL A 66 -5.312 -1.335 0.664 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.495 0.708 1.712 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.239 0.425 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.807 2.196 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.710 2.786 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.978 2.403 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.086 -0.076 -1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.225 -0.038 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.451 -1.290 -0.701 1.00 0.00 H new ATOM 957 N TYR A 67 -5.131 2.534 2.355 1.00 0.00 N ATOM 958 CA TYR A 67 -6.006 3.593 2.839 1.00 0.00 C ATOM 959 C TYR A 67 -5.506 4.900 2.246 1.00 0.00 C ATOM 960 O TYR A 67 -4.301 5.166 2.290 1.00 0.00 O ATOM 961 CB TYR A 67 -5.954 3.686 4.365 1.00 0.00 C ATOM 962 CG TYR A 67 -6.783 2.652 5.089 1.00 0.00 C ATOM 963 CD1 TYR A 67 -8.181 2.803 5.147 1.00 0.00 C ATOM 964 CD2 TYR A 67 -6.159 1.615 5.804 1.00 0.00 C ATOM 965 CE1 TYR A 67 -8.954 1.924 5.922 1.00 0.00 C ATOM 966 CE2 TYR A 67 -6.932 0.739 6.583 1.00 0.00 C ATOM 967 CZ TYR A 67 -8.333 0.881 6.638 1.00 0.00 C ATOM 968 OH TYR A 67 -9.071 0.054 7.423 1.00 0.00 O ATOM 0 H TYR A 67 -4.144 2.759 2.478 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.035 3.386 2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.917 3.590 4.686 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.291 4.678 4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.660 3.597 4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.087 1.492 5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.026 2.047 5.970 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.450 -0.048 7.143 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.484 -0.609 7.843 1.00 0.00 H new ATOM 978 N SER A 68 -6.408 5.722 1.703 1.00 0.00 N ATOM 979 CA SER A 68 -6.028 7.040 1.225 1.00 0.00 C ATOM 980 C SER A 68 -5.456 7.866 2.377 1.00 0.00 C ATOM 981 O SER A 68 -5.798 7.681 3.553 1.00 0.00 O ATOM 982 CB SER A 68 -7.214 7.756 0.564 1.00 0.00 C ATOM 983 OG SER A 68 -8.310 7.916 1.449 1.00 0.00 O ATOM 0 H SER A 68 -7.396 5.495 1.587 1.00 0.00 H new ATOM 0 HA SER A 68 -5.257 6.924 0.463 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.892 8.735 0.208 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.536 7.189 -0.310 1.00 0.00 H new ATOM 0 HG SER A 68 -8.906 7.142 1.374 1.00 0.00 H new ATOM 989 N LEU A 69 -4.578 8.791 2.018 1.00 0.00 N ATOM 990 CA LEU A 69 -3.989 9.785 2.890 1.00 0.00 C ATOM 991 C LEU A 69 -4.042 11.082 2.076 1.00 0.00 C ATOM 992 O LEU A 69 -3.966 11.015 0.839 1.00 0.00 O ATOM 993 CB LEU A 69 -2.578 9.298 3.256 1.00 0.00 C ATOM 994 CG LEU A 69 -1.968 9.919 4.521 1.00 0.00 C ATOM 995 CD1 LEU A 69 -1.022 8.891 5.151 1.00 0.00 C ATOM 996 CD2 LEU A 69 -1.194 11.208 4.227 1.00 0.00 C ATOM 0 H LEU A 69 -4.242 8.869 1.058 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.495 9.952 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.608 8.216 3.383 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.914 9.502 2.416 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.781 10.181 5.198 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.576 9.311 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.581 7.991 5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.234 8.638 4.441 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.784 11.606 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.381 10.994 3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.866 11.943 3.783 1.00 0.00 H new ATOM 1008 N PRO A 70 -4.258 12.255 2.684 1.00 0.00 N ATOM 1009 CA PRO A 70 -4.254 13.496 1.926 1.00 0.00 C ATOM 1010 C PRO A 70 -2.885 13.782 1.315 1.00 0.00 C ATOM 1011 O PRO A 70 -1.887 13.109 1.590 1.00 0.00 O ATOM 1012 CB PRO A 70 -4.695 14.586 2.903 1.00 0.00 C ATOM 1013 CG PRO A 70 -4.374 13.998 4.271 1.00 0.00 C ATOM 1014 CD PRO A 70 -4.598 12.502 4.075 1.00 0.00 C ATOM 0 HA PRO A 70 -4.933 13.443 1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.157 15.518 2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.757 14.808 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.349 14.215 4.571 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.025 14.404 5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.969 11.917 4.746 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.631 12.226 4.285 1.00 0.00 H new ATOM 1022 N GLY A 71 -2.855 14.771 0.427 1.00 0.00 N ATOM 1023 CA GLY A 71 -1.619 15.254 -0.140 1.00 0.00 C ATOM 1024 C GLY A 71 -0.694 15.684 0.989 1.00 0.00 C ATOM 1025 O GLY A 71 -1.152 16.372 1.905 1.00 0.00 O ATOM 0 H GLY A 71 -3.687 15.253 0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.148 14.473 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.813 16.093 -0.808 1.00 0.00 H new ATOM 1029 N ARG A 72 0.584 15.321 0.920 1.00 0.00 N ATOM 1030 CA ARG A 72 1.547 15.683 1.945 1.00 0.00 C ATOM 1031 C ARG A 72 2.850 16.110 1.295 1.00 0.00 C ATOM 1032 O ARG A 72 3.086 15.919 0.100 1.00 0.00 O ATOM 1033 CB ARG A 72 1.707 14.541 2.975 1.00 0.00 C ATOM 1034 CG ARG A 72 0.557 14.519 3.999 1.00 0.00 C ATOM 1035 CD ARG A 72 0.995 13.899 5.336 1.00 0.00 C ATOM 1036 NE ARG A 72 -0.092 13.934 6.334 1.00 0.00 N ATOM 1037 CZ ARG A 72 -0.265 13.105 7.374 1.00 0.00 C ATOM 1038 NH1 ARG A 72 0.662 12.217 7.719 1.00 0.00 N ATOM 1039 NH2 ARG A 72 -1.393 13.165 8.063 1.00 0.00 N ATOM 0 H ARG A 72 0.975 14.771 0.155 1.00 0.00 H new ATOM 0 HA ARG A 72 1.184 16.540 2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.745 13.585 2.453 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.656 14.656 3.499 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.202 15.535 4.169 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.281 13.952 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.308 12.867 5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.861 14.438 5.721 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.789 14.670 6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.531 12.154 7.188 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.505 11.598 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.116 13.835 7.801 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.540 12.541 8.857 1.00 0.00 H new ATOM 1053 N GLU A 73 3.683 16.725 2.116 1.00 0.00 N ATOM 1054 CA GLU A 73 4.992 17.275 1.848 1.00 0.00 C ATOM 1055 C GLU A 73 5.858 16.983 3.080 1.00 0.00 C ATOM 1056 O GLU A 73 5.432 16.245 3.974 1.00 0.00 O ATOM 1057 CB GLU A 73 4.867 18.773 1.504 1.00 0.00 C ATOM 1058 CG GLU A 73 3.890 19.593 2.366 1.00 0.00 C ATOM 1059 CD GLU A 73 2.507 19.821 1.720 1.00 0.00 C ATOM 1060 OE1 GLU A 73 2.002 18.985 0.934 1.00 0.00 O ATOM 1061 OE2 GLU A 73 1.918 20.903 1.962 1.00 0.00 O ATOM 0 H GLU A 73 3.426 16.864 3.093 1.00 0.00 H new ATOM 0 HA GLU A 73 5.471 16.821 0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.855 19.226 1.583 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.559 18.860 0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.752 19.085 3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.341 20.562 2.582 1.00 0.00 H new ATOM 1068 N ASN A 74 7.075 17.534 3.136 1.00 0.00 N ATOM 1069 CA ASN A 74 7.981 17.423 4.288 1.00 0.00 C ATOM 1070 C ASN A 74 8.278 15.955 4.614 1.00 0.00 C ATOM 1071 O ASN A 74 8.265 15.536 5.775 1.00 0.00 O ATOM 1072 CB ASN A 74 7.438 18.197 5.505 1.00 0.00 C ATOM 1073 CG ASN A 74 6.913 19.578 5.145 1.00 0.00 C ATOM 1074 OD1 ASN A 74 7.565 20.335 4.431 1.00 0.00 O ATOM 1075 ND2 ASN A 74 5.706 19.907 5.569 1.00 0.00 N ATOM 0 H ASN A 74 7.467 18.080 2.369 1.00 0.00 H new ATOM 0 HA ASN A 74 8.930 17.888 4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.638 17.620 5.968 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.230 18.298 6.247 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.299 20.804 5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.181 19.264 6.161 1.00 0.00 H new ATOM 1082 N TYR A 75 8.525 15.158 3.573 1.00 0.00 N ATOM 1083 CA TYR A 75 8.768 13.729 3.704 1.00 0.00 C ATOM 1084 C TYR A 75 10.162 13.490 4.290 1.00 0.00 C ATOM 1085 O TYR A 75 10.944 14.417 4.506 1.00 0.00 O ATOM 1086 CB TYR A 75 8.662 13.057 2.331 1.00 0.00 C ATOM 1087 CG TYR A 75 7.292 13.060 1.700 1.00 0.00 C ATOM 1088 CD1 TYR A 75 6.865 14.166 0.947 1.00 0.00 C ATOM 1089 CD2 TYR A 75 6.488 11.909 1.776 1.00 0.00 C ATOM 1090 CE1 TYR A 75 5.647 14.114 0.255 1.00 0.00 C ATOM 1091 CE2 TYR A 75 5.280 11.846 1.069 1.00 0.00 C ATOM 1092 CZ TYR A 75 4.844 12.956 0.316 1.00 0.00 C ATOM 1093 OH TYR A 75 3.697 12.910 -0.404 1.00 0.00 O ATOM 0 H TYR A 75 8.561 15.493 2.610 1.00 0.00 H new ATOM 0 HA TYR A 75 8.021 13.300 4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.355 13.552 1.651 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.994 12.023 2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.475 15.056 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.802 11.071 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.322 14.964 -0.327 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.682 10.947 1.101 1.00 0.00 H new ATOM 0 HH TYR A 75 3.114 12.209 -0.045 1.00 0.00 H new ATOM 1103 N SER A 76 10.487 12.225 4.519 1.00 0.00 N ATOM 1104 CA SER A 76 11.751 11.758 5.052 1.00 0.00 C ATOM 1105 C SER A 76 12.107 10.478 4.289 1.00 0.00 C ATOM 1106 O SER A 76 11.262 9.957 3.551 1.00 0.00 O ATOM 1107 CB SER A 76 11.592 11.514 6.561 1.00 0.00 C ATOM 1108 OG SER A 76 10.873 12.562 7.202 1.00 0.00 O ATOM 0 H SER A 76 9.840 11.461 4.327 1.00 0.00 H new ATOM 0 HA SER A 76 12.554 12.484 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 76 11.074 10.569 6.722 1.00 0.00 H new ATOM 0 HB3 SER A 76 12.577 11.419 7.018 1.00 0.00 H new ATOM 0 HG SER A 76 10.793 12.366 8.159 1.00 0.00 H new ATOM 1114 N SER A 77 13.323 9.968 4.475 1.00 0.00 N ATOM 1115 CA SER A 77 13.771 8.721 3.873 1.00 0.00 C ATOM 1116 C SER A 77 14.086 7.738 5.001 1.00 0.00 C ATOM 1117 O SER A 77 14.654 8.154 6.014 1.00 0.00 O ATOM 1118 CB SER A 77 14.998 8.975 2.986 1.00 0.00 C ATOM 1119 OG SER A 77 14.784 10.027 2.049 1.00 0.00 O ATOM 0 H SER A 77 14.031 10.417 5.056 1.00 0.00 H new ATOM 0 HA SER A 77 12.995 8.299 3.235 1.00 0.00 H new ATOM 0 HB2 SER A 77 15.853 9.222 3.616 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.250 8.060 2.450 1.00 0.00 H new ATOM 0 HG SER A 77 15.592 10.153 1.509 1.00 0.00 H new ATOM 1125 N VAL A 78 13.686 6.472 4.862 1.00 0.00 N ATOM 1126 CA VAL A 78 13.903 5.412 5.849 1.00 0.00 C ATOM 1127 C VAL A 78 13.992 4.087 5.086 1.00 0.00 C ATOM 1128 O VAL A 78 13.284 3.915 4.086 1.00 0.00 O ATOM 1129 CB VAL A 78 12.743 5.345 6.881 1.00 0.00 C ATOM 1130 CG1 VAL A 78 13.154 4.529 8.118 1.00 0.00 C ATOM 1131 CG2 VAL A 78 12.242 6.703 7.403 1.00 0.00 C ATOM 0 H VAL A 78 13.187 6.146 4.034 1.00 0.00 H new ATOM 0 HA VAL A 78 14.819 5.614 6.405 1.00 0.00 H new ATOM 0 HB VAL A 78 11.934 4.881 6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.325 4.497 8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.412 3.514 7.815 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.017 4.996 8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 78 11.433 6.543 8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.061 7.228 7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 78 11.876 7.301 6.568 1.00 0.00 H new ATOM 1141 N ASP A 79 14.780 3.126 5.568 1.00 0.00 N ATOM 1142 CA ASP A 79 14.836 1.786 4.985 1.00 0.00 C ATOM 1143 C ASP A 79 14.064 0.834 5.892 1.00 0.00 C ATOM 1144 O ASP A 79 14.004 1.046 7.112 1.00 0.00 O ATOM 1145 CB ASP A 79 16.267 1.252 4.853 1.00 0.00 C ATOM 1146 CG ASP A 79 16.285 0.150 3.786 1.00 0.00 C ATOM 1147 OD1 ASP A 79 15.892 -1.004 4.087 1.00 0.00 O ATOM 1148 OD2 ASP A 79 16.627 0.521 2.640 1.00 0.00 O ATOM 0 H ASP A 79 15.396 3.254 6.371 1.00 0.00 H new ATOM 0 HA ASP A 79 14.407 1.848 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.947 2.058 4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.613 0.858 5.809 1.00 0.00 H new ATOM 1153 N ALA A 80 13.414 -0.166 5.314 1.00 0.00 N ATOM 1154 CA ALA A 80 12.760 -1.222 6.055 1.00 0.00 C ATOM 1155 C ALA A 80 12.844 -2.475 5.198 1.00 0.00 C ATOM 1156 O ALA A 80 12.470 -2.440 4.030 1.00 0.00 O ATOM 1157 CB ALA A 80 11.303 -0.850 6.313 1.00 0.00 C ATOM 0 H ALA A 80 13.328 -0.263 4.302 1.00 0.00 H new ATOM 0 HA ALA A 80 13.237 -1.382 7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 80 10.817 -1.650 6.871 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.260 0.074 6.890 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.790 -0.708 5.362 1.00 0.00 H new ATOM 1163 N ASN A 81 13.229 -3.600 5.801 1.00 0.00 N ATOM 1164 CA ASN A 81 13.360 -4.906 5.149 1.00 0.00 C ATOM 1165 C ASN A 81 14.210 -4.895 3.858 1.00 0.00 C ATOM 1166 O ASN A 81 14.070 -5.817 3.057 1.00 0.00 O ATOM 1167 CB ASN A 81 11.964 -5.539 4.936 1.00 0.00 C ATOM 1168 CG ASN A 81 11.275 -5.931 6.237 1.00 0.00 C ATOM 1169 OD1 ASN A 81 11.901 -6.428 7.168 1.00 0.00 O ATOM 1170 ND2 ASN A 81 9.972 -5.732 6.362 1.00 0.00 N ATOM 0 H ASN A 81 13.467 -3.629 6.792 1.00 0.00 H new ATOM 0 HA ASN A 81 13.930 -5.537 5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 81 11.332 -4.834 4.396 1.00 0.00 H new ATOM 0 HB3 ASN A 81 12.066 -6.423 4.306 1.00 0.00 H new ATOM 0 HD21 ASN A 81 9.497 -5.991 7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.443 -5.319 5.594 1.00 0.00 H new ATOM 1177 N GLY A 82 15.128 -3.935 3.663 1.00 0.00 N ATOM 1178 CA GLY A 82 15.969 -3.872 2.467 1.00 0.00 C ATOM 1179 C GLY A 82 15.216 -3.233 1.302 1.00 0.00 C ATOM 1180 O GLY A 82 15.285 -3.706 0.169 1.00 0.00 O ATOM 0 H GLY A 82 15.304 -3.184 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.870 -3.297 2.681 1.00 0.00 H new ATOM 0 HA3 GLY A 82 16.290 -4.876 2.190 1.00 0.00 H new ATOM 1184 N ILE A 83 14.452 -2.186 1.595 1.00 0.00 N ATOM 1185 CA ILE A 83 13.556 -1.478 0.698 1.00 0.00 C ATOM 1186 C ILE A 83 13.722 -0.035 1.160 1.00 0.00 C ATOM 1187 O ILE A 83 13.472 0.271 2.331 1.00 0.00 O ATOM 1188 CB ILE A 83 12.093 -1.945 0.883 1.00 0.00 C ATOM 1189 CG1 ILE A 83 11.945 -3.481 0.847 1.00 0.00 C ATOM 1190 CG2 ILE A 83 11.256 -1.268 -0.212 1.00 0.00 C ATOM 1191 CD1 ILE A 83 10.558 -3.973 1.255 1.00 0.00 C ATOM 0 H ILE A 83 14.445 -1.784 2.533 1.00 0.00 H new ATOM 0 HA ILE A 83 13.779 -1.637 -0.357 1.00 0.00 H new ATOM 0 HB ILE A 83 11.741 -1.653 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.165 -3.835 -0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.688 -3.925 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.214 -1.573 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.328 -0.185 -0.108 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.631 -1.564 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 83 10.529 -5.061 1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 83 10.342 -3.650 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.811 -3.559 0.577 1.00 0.00 H new ATOM 1203 N GLN A 84 14.053 0.872 0.248 1.00 0.00 N ATOM 1204 CA GLN A 84 14.363 2.239 0.618 1.00 0.00 C ATOM 1205 C GLN A 84 13.166 3.109 0.274 1.00 0.00 C ATOM 1206 O GLN A 84 12.642 3.050 -0.842 1.00 0.00 O ATOM 1207 CB GLN A 84 15.629 2.672 -0.142 1.00 0.00 C ATOM 1208 CG GLN A 84 16.108 4.100 0.179 1.00 0.00 C ATOM 1209 CD GLN A 84 16.451 4.360 1.648 1.00 0.00 C ATOM 1210 OE1 GLN A 84 16.869 3.365 2.412 1.00 0.00 O flip ATOM 1211 NE2 GLN A 84 16.355 5.488 2.120 1.00 0.00 N flip ATOM 0 H GLN A 84 14.112 0.681 -0.752 1.00 0.00 H new ATOM 0 HA GLN A 84 14.559 2.336 1.686 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.433 1.972 0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.438 2.598 -1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 84 16.989 4.315 -0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 84 15.333 4.803 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 84 16.033 6.260 1.536 1.00 0.00 H new ATOM 0 HE22 GLN A 84 16.597 5.654 3.097 1.00 0.00 H new ATOM 1220 N SER A 85 12.736 3.914 1.246 1.00 0.00 N ATOM 1221 CA SER A 85 11.695 4.902 1.054 1.00 0.00 C ATOM 1222 C SER A 85 12.406 6.245 0.970 1.00 0.00 C ATOM 1223 O SER A 85 13.239 6.533 1.825 1.00 0.00 O ATOM 1224 CB SER A 85 10.613 4.822 2.138 1.00 0.00 C ATOM 1225 OG SER A 85 11.062 5.181 3.428 1.00 0.00 O ATOM 0 H SER A 85 13.110 3.892 2.195 1.00 0.00 H new ATOM 0 HA SER A 85 11.133 4.729 0.136 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.785 5.474 1.859 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.221 3.805 2.171 1.00 0.00 H new ATOM 0 HG SER A 85 11.646 4.476 3.779 1.00 0.00 H new ATOM 1231 N GLN A 86 12.123 7.038 -0.064 1.00 0.00 N ATOM 1232 CA GLN A 86 12.812 8.296 -0.342 1.00 0.00 C ATOM 1233 C GLN A 86 11.851 9.478 -0.178 1.00 0.00 C ATOM 1234 O GLN A 86 10.677 9.363 -0.529 1.00 0.00 O ATOM 1235 CB GLN A 86 13.436 8.210 -1.750 1.00 0.00 C ATOM 1236 CG GLN A 86 12.408 8.167 -2.898 1.00 0.00 C ATOM 1237 CD GLN A 86 12.845 7.281 -4.065 1.00 0.00 C ATOM 1238 OE1 GLN A 86 13.474 7.740 -5.009 1.00 0.00 O ATOM 1239 NE2 GLN A 86 12.488 6.005 -4.037 1.00 0.00 N ATOM 0 H GLN A 86 11.395 6.819 -0.744 1.00 0.00 H new ATOM 0 HA GLN A 86 13.618 8.465 0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 86 14.092 9.068 -1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 86 14.061 7.319 -1.804 1.00 0.00 H new ATOM 0 HG2 GLN A 86 11.456 7.804 -2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.238 9.180 -3.263 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.964 5.639 -3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 86 12.737 5.389 -4.810 1.00 0.00 H new ATOM 1248 N MET A 87 12.314 10.608 0.360 1.00 0.00 N ATOM 1249 CA MET A 87 11.505 11.824 0.441 1.00 0.00 C ATOM 1250 C MET A 87 11.042 12.288 -0.957 1.00 0.00 C ATOM 1251 O MET A 87 11.638 11.912 -1.968 1.00 0.00 O ATOM 1252 CB MET A 87 12.278 12.906 1.221 1.00 0.00 C ATOM 1253 CG MET A 87 13.486 13.494 0.481 1.00 0.00 C ATOM 1254 SD MET A 87 13.085 14.829 -0.686 1.00 0.00 S ATOM 1255 CE MET A 87 14.726 15.100 -1.404 1.00 0.00 C ATOM 0 H MET A 87 13.252 10.705 0.748 1.00 0.00 H new ATOM 0 HA MET A 87 10.589 11.616 0.993 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.592 13.716 1.468 1.00 0.00 H new ATOM 0 HB3 MET A 87 12.620 12.479 2.164 1.00 0.00 H new ATOM 0 HG2 MET A 87 14.196 13.873 1.216 1.00 0.00 H new ATOM 0 HG3 MET A 87 13.987 12.693 -0.062 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.671 15.894 -2.149 1.00 0.00 H new ATOM 0 HE2 MET A 87 15.424 15.388 -0.618 1.00 0.00 H new ATOM 0 HE3 MET A 87 15.072 14.181 -1.878 1.00 0.00 H new ATOM 1265 N LEU A 88 9.999 13.128 -1.020 1.00 0.00 N ATOM 1266 CA LEU A 88 9.484 13.717 -2.257 1.00 0.00 C ATOM 1267 C LEU A 88 9.181 15.193 -2.038 1.00 0.00 C ATOM 1268 O LEU A 88 9.052 15.657 -0.903 1.00 0.00 O ATOM 1269 CB LEU A 88 8.188 13.078 -2.765 1.00 0.00 C ATOM 1270 CG LEU A 88 8.117 11.549 -2.718 1.00 0.00 C ATOM 1271 CD1 LEU A 88 7.425 11.112 -1.434 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.278 11.089 -3.900 1.00 0.00 C ATOM 0 H LEU A 88 9.481 13.421 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 88 10.265 13.548 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.359 13.476 -2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.032 13.395 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 88 9.119 11.122 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.374 10.024 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.989 11.476 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.416 11.523 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.208 10.001 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.278 11.517 -3.825 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.745 11.418 -4.828 1.00 0.00 H new ATOM 1284 N SER A 89 8.925 15.904 -3.132 1.00 0.00 N ATOM 1285 CA SER A 89 8.588 17.312 -3.139 1.00 0.00 C ATOM 1286 C SER A 89 7.073 17.527 -3.272 1.00 0.00 C ATOM 1287 O SER A 89 6.575 17.822 -4.364 1.00 0.00 O ATOM 1288 CB SER A 89 9.424 17.995 -4.233 1.00 0.00 C ATOM 1289 OG SER A 89 9.484 17.223 -5.429 1.00 0.00 O ATOM 0 H SER A 89 8.949 15.496 -4.067 1.00 0.00 H new ATOM 0 HA SER A 89 8.840 17.778 -2.186 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.997 18.973 -4.456 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.435 18.165 -3.862 1.00 0.00 H new ATOM 0 HG SER A 89 10.024 17.696 -6.097 1.00 0.00 H new ATOM 1295 N ARG A 90 6.322 17.385 -2.169 1.00 0.00 N ATOM 1296 CA ARG A 90 4.882 17.697 -2.114 1.00 0.00 C ATOM 1297 C ARG A 90 4.038 16.838 -3.059 1.00 0.00 C ATOM 1298 O ARG A 90 3.455 17.372 -4.007 1.00 0.00 O ATOM 1299 CB ARG A 90 4.667 19.222 -2.299 1.00 0.00 C ATOM 1300 CG ARG A 90 3.232 19.718 -2.022 1.00 0.00 C ATOM 1301 CD ARG A 90 2.717 20.708 -3.081 1.00 0.00 C ATOM 1302 NE ARG A 90 2.588 20.070 -4.404 1.00 0.00 N ATOM 1303 CZ ARG A 90 2.413 20.661 -5.593 1.00 0.00 C ATOM 1304 NH1 ARG A 90 2.282 21.983 -5.676 1.00 0.00 N ATOM 1305 NH2 ARG A 90 2.379 19.918 -6.693 1.00 0.00 N ATOM 0 H ARG A 90 6.698 17.048 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 90 4.515 17.428 -1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.352 19.753 -1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.937 19.490 -3.320 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.560 18.861 -1.979 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.203 20.196 -1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.749 21.102 -2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.399 21.555 -3.150 1.00 0.00 H new ATOM 0 HE ARG A 90 2.638 19.051 -4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.315 22.553 -4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.149 22.426 -6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.486 18.906 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.246 20.360 -7.603 1.00 0.00 H new ATOM 1319 N TRP A 91 4.008 15.516 -2.887 1.00 0.00 N ATOM 1320 CA TRP A 91 3.190 14.663 -3.743 1.00 0.00 C ATOM 1321 C TRP A 91 1.767 14.665 -3.182 1.00 0.00 C ATOM 1322 O TRP A 91 1.459 13.995 -2.191 1.00 0.00 O ATOM 1323 CB TRP A 91 3.768 13.252 -3.820 1.00 0.00 C ATOM 1324 CG TRP A 91 3.408 12.501 -5.062 1.00 0.00 C ATOM 1325 CD1 TRP A 91 2.184 12.065 -5.429 1.00 0.00 C ATOM 1326 CD2 TRP A 91 4.303 12.065 -6.116 1.00 0.00 C ATOM 1327 NE1 TRP A 91 2.274 11.358 -6.613 1.00 0.00 N ATOM 1328 CE2 TRP A 91 3.580 11.263 -7.041 1.00 0.00 C ATOM 1329 CE3 TRP A 91 5.671 12.261 -6.360 1.00 0.00 C ATOM 1330 CZ2 TRP A 91 4.210 10.627 -8.120 1.00 0.00 C ATOM 1331 CZ3 TRP A 91 6.330 11.573 -7.386 1.00 0.00 C ATOM 1332 CH2 TRP A 91 5.602 10.762 -8.275 1.00 0.00 C ATOM 0 H TRP A 91 4.536 15.019 -2.170 1.00 0.00 H new ATOM 0 HA TRP A 91 3.180 15.045 -4.764 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.854 13.314 -3.750 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.424 12.685 -2.955 1.00 0.00 H new ATOM 0 HD1 TRP A 91 1.271 12.242 -4.880 1.00 0.00 H new ATOM 0 HE1 TRP A 91 1.476 10.958 -7.107 1.00 0.00 H new ATOM 0 HE3 TRP A 91 6.225 12.955 -5.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 3.635 10.042 -8.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 7.401 11.665 -7.495 1.00 0.00 H new ATOM 0 HH2 TRP A 91 6.110 10.244 -9.075 1.00 0.00 H new ATOM 1343 N SER A 92 0.858 15.396 -3.824 1.00 0.00 N ATOM 1344 CA SER A 92 -0.492 15.581 -3.312 1.00 0.00 C ATOM 1345 C SER A 92 -1.424 14.376 -3.581 1.00 0.00 C ATOM 1346 O SER A 92 -2.631 14.536 -3.776 1.00 0.00 O ATOM 1347 CB SER A 92 -1.042 16.920 -3.805 1.00 0.00 C ATOM 1348 OG SER A 92 -0.106 17.959 -3.544 1.00 0.00 O ATOM 0 H SER A 92 1.038 15.873 -4.708 1.00 0.00 H new ATOM 0 HA SER A 92 -0.447 15.620 -2.224 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.248 16.866 -4.874 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.987 17.139 -3.309 1.00 0.00 H new ATOM 0 HG SER A 92 -0.466 18.812 -3.865 1.00 0.00 H new ATOM 1354 N ALA A 93 -0.872 13.162 -3.566 1.00 0.00 N ATOM 1355 CA ALA A 93 -1.528 11.868 -3.660 1.00 0.00 C ATOM 1356 C ALA A 93 -0.642 10.927 -2.849 1.00 0.00 C ATOM 1357 O ALA A 93 0.423 10.530 -3.323 1.00 0.00 O ATOM 1358 CB ALA A 93 -1.657 11.370 -5.110 1.00 0.00 C ATOM 0 H ALA A 93 0.139 13.056 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.551 11.922 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.154 10.400 -5.119 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.243 12.083 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.665 11.273 -5.551 1.00 0.00 H new ATOM 1364 N SER A 94 -1.031 10.622 -1.617 1.00 0.00 N ATOM 1365 CA SER A 94 -0.318 9.673 -0.777 1.00 0.00 C ATOM 1366 C SER A 94 -1.304 8.656 -0.209 1.00 0.00 C ATOM 1367 O SER A 94 -2.522 8.780 -0.393 1.00 0.00 O ATOM 1368 CB SER A 94 0.456 10.427 0.312 1.00 0.00 C ATOM 1369 OG SER A 94 1.426 11.296 -0.255 1.00 0.00 O ATOM 0 H SER A 94 -1.854 11.029 -1.172 1.00 0.00 H new ATOM 0 HA SER A 94 0.415 9.119 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.239 11.003 0.923 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.946 9.713 0.974 1.00 0.00 H new ATOM 0 HG SER A 94 0.976 11.990 -0.781 1.00 0.00 H new ATOM 1375 N PHE A 95 -0.774 7.632 0.449 1.00 0.00 N ATOM 1376 CA PHE A 95 -1.525 6.596 1.120 1.00 0.00 C ATOM 1377 C PHE A 95 -0.694 6.010 2.250 1.00 0.00 C ATOM 1378 O PHE A 95 0.465 6.372 2.429 1.00 0.00 O ATOM 1379 CB PHE A 95 -1.904 5.502 0.092 1.00 0.00 C ATOM 1380 CG PHE A 95 -0.764 4.650 -0.468 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -0.043 5.067 -1.605 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -0.465 3.398 0.107 1.00 0.00 C ATOM 1383 CE1 PHE A 95 0.950 4.240 -2.165 1.00 0.00 C ATOM 1384 CE2 PHE A 95 0.514 2.563 -0.463 1.00 0.00 C ATOM 1385 CZ PHE A 95 1.216 2.976 -1.608 1.00 0.00 C ATOM 0 H PHE A 95 0.235 7.502 0.529 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.437 7.012 1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -2.628 4.834 0.559 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.409 5.984 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -0.254 6.028 -2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.992 3.077 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.509 4.577 -3.025 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.726 1.602 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.954 2.328 -2.057 1.00 0.00 H new ATOM 1395 N THR A 96 -1.315 5.133 3.025 1.00 0.00 N ATOM 1396 CA THR A 96 -0.698 4.341 4.071 1.00 0.00 C ATOM 1397 C THR A 96 -1.301 2.958 3.863 1.00 0.00 C ATOM 1398 O THR A 96 -2.454 2.827 3.427 1.00 0.00 O ATOM 1399 CB THR A 96 -0.899 4.912 5.482 1.00 0.00 C ATOM 1400 OG1 THR A 96 -0.314 4.030 6.420 1.00 0.00 O ATOM 1401 CG2 THR A 96 -2.372 5.099 5.856 1.00 0.00 C ATOM 0 H THR A 96 -2.314 4.947 2.934 1.00 0.00 H new ATOM 0 HA THR A 96 0.390 4.329 4.001 1.00 0.00 H new ATOM 0 HB THR A 96 -0.429 5.895 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 96 -0.436 4.387 7.325 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.442 5.505 6.865 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.841 5.788 5.154 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.883 4.137 5.816 1.00 0.00 H new ATOM 1409 N VAL A 97 -0.489 1.923 4.038 1.00 0.00 N ATOM 1410 CA VAL A 97 -0.937 0.554 3.898 1.00 0.00 C ATOM 1411 C VAL A 97 -1.041 -0.110 5.279 1.00 0.00 C ATOM 1412 O VAL A 97 -0.471 0.376 6.261 1.00 0.00 O ATOM 1413 CB VAL A 97 -0.124 -0.092 2.763 1.00 0.00 C ATOM 1414 CG1 VAL A 97 1.310 -0.468 3.114 1.00 0.00 C ATOM 1415 CG2 VAL A 97 -0.840 -1.296 2.180 1.00 0.00 C ATOM 0 H VAL A 97 0.497 2.015 4.281 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.964 0.429 3.554 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.049 0.700 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.792 -0.915 2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.858 0.426 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.308 -1.184 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.236 -1.727 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.994 -2.041 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.805 -0.986 1.779 1.00 0.00 H new ATOM 1425 N THR A 98 -1.813 -1.189 5.359 1.00 0.00 N ATOM 1426 CA THR A 98 -2.185 -1.942 6.550 1.00 0.00 C ATOM 1427 C THR A 98 -2.568 -3.364 6.113 1.00 0.00 C ATOM 1428 O THR A 98 -2.481 -3.686 4.924 1.00 0.00 O ATOM 1429 CB THR A 98 -3.433 -1.285 7.190 1.00 0.00 C ATOM 1430 OG1 THR A 98 -4.474 -1.165 6.239 1.00 0.00 O ATOM 1431 CG2 THR A 98 -3.219 0.099 7.805 1.00 0.00 C ATOM 0 H THR A 98 -2.229 -1.593 4.520 1.00 0.00 H new ATOM 0 HA THR A 98 -1.359 -1.958 7.261 1.00 0.00 H new ATOM 0 HB THR A 98 -3.684 -1.961 8.007 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.897 -0.285 6.326 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.159 0.461 8.223 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.472 0.034 8.596 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.874 0.790 7.036 1.00 0.00 H new ATOM 1439 N LEU A 99 -2.948 -4.219 7.064 1.00 0.00 N ATOM 1440 CA LEU A 99 -3.484 -5.554 6.814 1.00 0.00 C ATOM 1441 C LEU A 99 -5.005 -5.449 6.746 1.00 0.00 C ATOM 1442 O LEU A 99 -5.585 -4.461 7.212 1.00 0.00 O ATOM 1443 CB LEU A 99 -3.122 -6.532 7.941 1.00 0.00 C ATOM 1444 CG LEU A 99 -1.713 -7.119 7.822 1.00 0.00 C ATOM 1445 CD1 LEU A 99 -1.362 -7.835 9.117 1.00 0.00 C ATOM 1446 CD2 LEU A 99 -1.655 -8.137 6.672 1.00 0.00 C ATOM 0 H LEU A 99 -2.889 -3.993 8.057 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.058 -5.928 5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.212 -6.018 8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.846 -7.347 7.948 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.009 -6.310 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.360 -8.256 9.040 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.396 -7.127 9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.079 -8.636 9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.647 -8.546 6.599 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.362 -8.944 6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.915 -7.643 5.736 1.00 0.00 H new ATOM 1458 N GLU A 100 -5.652 -6.473 6.191 1.00 0.00 N ATOM 1459 CA GLU A 100 -7.100 -6.601 6.169 1.00 0.00 C ATOM 1460 C GLU A 100 -7.500 -7.434 7.376 1.00 0.00 C ATOM 1461 O GLU A 100 -8.518 -7.104 8.018 1.00 0.00 O ATOM 1462 CB GLU A 100 -7.605 -7.190 4.839 1.00 0.00 C ATOM 1463 CG GLU A 100 -9.119 -7.441 4.946 1.00 0.00 C ATOM 1464 CD GLU A 100 -9.886 -7.485 3.623 1.00 0.00 C ATOM 1465 OE1 GLU A 100 -9.435 -8.094 2.629 1.00 0.00 O ATOM 1466 OE2 GLU A 100 -11.024 -6.953 3.624 1.00 0.00 O ATOM 1467 OXT GLU A 100 -6.798 -8.423 7.690 1.00 0.00 O ATOM 0 H GLU A 100 -5.171 -7.249 5.737 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.571 -5.620 6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.394 -6.504 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.084 -8.121 4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.275 -8.387 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -9.554 -6.660 5.569 1.00 0.00 H new