USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 71:sc= 0.0107 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0838 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.7 X(o=-3.7,f=-3.7) USER MOD Single : A 52 SER OG : rot 54:sc= 0.0335 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 59 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-0.62) USER MOD Single : A 60 ASN : amide:sc= -0.0914 K(o=-0.091,f=-0.67) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -4.09 K(o=-4.1,f=-5.9!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -168:sc= 0 (180deg=-0.171) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= -0.349 USER MOD Single : B 83 THR OG1 : rot -40:sc= 0.753 USER MOD Single : B 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 16 -13.142 -8.336 9.007 1.00 0.00 N ATOM 2 CA GLY A 16 -12.527 -9.207 7.968 1.00 0.00 C ATOM 3 C GLY A 16 -12.567 -8.577 6.589 1.00 0.00 C ATOM 4 O GLY A 16 -12.913 -7.403 6.448 1.00 0.00 O ATOM 0 HA2 GLY A 16 -11.492 -9.416 8.239 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.050 -10.163 7.943 1.00 0.00 H new ATOM 10 N ARG A 17 -12.214 -9.362 5.571 1.00 0.00 N ATOM 11 CA ARG A 17 -12.209 -8.884 4.189 1.00 0.00 C ATOM 12 C ARG A 17 -11.497 -7.546 4.086 1.00 0.00 C ATOM 13 O ARG A 17 -11.869 -6.679 3.295 1.00 0.00 O ATOM 14 CB ARG A 17 -13.637 -8.773 3.654 1.00 0.00 C ATOM 15 CG ARG A 17 -14.628 -9.617 4.433 1.00 0.00 C ATOM 16 CD ARG A 17 -15.291 -10.664 3.551 1.00 0.00 C ATOM 17 NE ARG A 17 -14.500 -11.890 3.457 1.00 0.00 N ATOM 18 CZ ARG A 17 -15.004 -13.064 3.085 1.00 0.00 C ATOM 19 NH1 ARG A 17 -16.291 -13.171 2.782 1.00 0.00 N ATOM 20 NH2 ARG A 17 -14.220 -14.133 3.016 1.00 0.00 N ATOM 0 H ARG A 17 -11.927 -10.335 5.679 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.668 -9.608 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.952 -7.730 3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.652 -9.078 2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.116 -10.109 5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.391 -8.972 4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.278 -10.900 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.441 -10.253 2.553 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.508 -11.843 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.897 -12.352 2.834 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.675 -14.072 2.497 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.230 -14.055 3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.608 -15.032 2.731 1.00 0.00 H new ATOM 34 N VAL A 18 -10.464 -7.398 4.898 1.00 0.00 N ATOM 35 CA VAL A 18 -9.670 -6.174 4.921 1.00 0.00 C ATOM 36 C VAL A 18 -8.537 -6.242 3.903 1.00 0.00 C ATOM 37 O VAL A 18 -7.554 -6.957 4.099 1.00 0.00 O ATOM 38 CB VAL A 18 -9.073 -5.890 6.318 1.00 0.00 C ATOM 39 CG1 VAL A 18 -9.357 -4.456 6.734 1.00 0.00 C ATOM 40 CG2 VAL A 18 -9.614 -6.861 7.356 1.00 0.00 C ATOM 0 H VAL A 18 -10.152 -8.113 5.555 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.350 -5.361 4.665 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.994 -6.031 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.930 -4.272 7.720 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.911 -3.772 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.434 -4.294 6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.176 -6.636 8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.698 -6.763 7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.357 -7.881 7.069 1.00 0.00 H new ATOM 50 N ARG A 19 -8.686 -5.497 2.813 1.00 0.00 N ATOM 51 CA ARG A 19 -7.681 -5.473 1.755 1.00 0.00 C ATOM 52 C ARG A 19 -7.672 -4.122 1.046 1.00 0.00 C ATOM 53 O ARG A 19 -7.940 -4.039 -0.153 1.00 0.00 O ATOM 54 CB ARG A 19 -7.959 -6.590 0.748 1.00 0.00 C ATOM 55 CG ARG A 19 -9.427 -6.702 0.362 1.00 0.00 C ATOM 56 CD ARG A 19 -9.777 -8.097 -0.125 1.00 0.00 C ATOM 57 NE ARG A 19 -10.725 -8.061 -1.236 1.00 0.00 N ATOM 58 CZ ARG A 19 -10.365 -7.904 -2.505 1.00 0.00 C ATOM 59 NH1 ARG A 19 -9.084 -7.781 -2.825 1.00 0.00 N ATOM 60 NH2 ARG A 19 -11.287 -7.868 -3.458 1.00 0.00 N ATOM 0 H ARG A 19 -9.495 -4.900 2.638 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.701 -5.630 2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.367 -6.415 -0.150 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.628 -7.539 1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.049 -6.450 1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.654 -5.977 -0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -8.869 -8.611 -0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.202 -8.673 0.697 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.718 -8.162 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.371 -7.807 -2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.811 -7.661 -3.800 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.274 -7.961 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -11.009 -7.747 -4.432 1.00 0.00 H new ATOM 74 N TRP A 20 -7.373 -3.064 1.795 1.00 0.00 N ATOM 75 CA TRP A 20 -7.336 -1.716 1.248 1.00 0.00 C ATOM 76 C TRP A 20 -6.171 -0.932 1.834 1.00 0.00 C ATOM 77 O TRP A 20 -5.668 -1.265 2.903 1.00 0.00 O ATOM 78 CB TRP A 20 -8.660 -0.998 1.523 1.00 0.00 C ATOM 79 CG TRP A 20 -9.803 -1.649 0.821 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.507 -2.736 1.245 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.357 -1.271 -0.441 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.464 -3.067 0.315 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.391 -2.178 -0.730 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.078 -0.254 -1.356 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.144 -2.096 -1.898 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.826 -0.173 -2.514 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.848 -1.091 -2.777 1.00 0.00 C ATOM 0 H TRP A 20 -7.152 -3.118 2.789 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.193 -1.782 0.169 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.851 -0.988 2.596 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.582 0.041 1.204 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.338 -3.260 2.174 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.120 -3.844 0.389 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.290 0.458 -1.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.935 -2.802 -2.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.619 0.611 -3.227 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.415 -1.004 -3.692 1.00 0.00 H new ATOM 98 N ALA A 21 -5.733 0.097 1.125 1.00 0.00 N ATOM 99 CA ALA A 21 -4.633 0.911 1.591 1.00 0.00 C ATOM 100 C ALA A 21 -5.020 2.379 1.545 1.00 0.00 C ATOM 101 O ALA A 21 -5.042 2.991 0.476 1.00 0.00 O ATOM 102 CB ALA A 21 -3.399 0.658 0.741 1.00 0.00 C ATOM 0 H ALA A 21 -6.124 0.384 0.228 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.403 0.643 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.576 1.276 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.120 -0.393 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.615 0.909 -0.297 1.00 0.00 H new ATOM 108 N ARG A 22 -5.310 2.947 2.706 1.00 0.00 N ATOM 109 CA ARG A 22 -5.676 4.349 2.781 1.00 0.00 C ATOM 110 C ARG A 22 -4.523 5.139 3.364 1.00 0.00 C ATOM 111 O ARG A 22 -4.200 5.017 4.547 1.00 0.00 O ATOM 112 CB ARG A 22 -6.948 4.539 3.614 1.00 0.00 C ATOM 113 CG ARG A 22 -7.141 5.956 4.133 1.00 0.00 C ATOM 114 CD ARG A 22 -8.037 5.981 5.362 1.00 0.00 C ATOM 115 NE ARG A 22 -9.382 6.452 5.047 1.00 0.00 N ATOM 116 CZ ARG A 22 -10.093 7.242 5.845 1.00 0.00 C ATOM 117 NH1 ARG A 22 -9.586 7.653 7.001 1.00 0.00 N ATOM 118 NH2 ARG A 22 -11.311 7.624 5.487 1.00 0.00 N ATOM 0 H ARG A 22 -5.299 2.461 3.602 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.886 4.716 1.776 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.811 4.264 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.921 3.853 4.461 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.172 6.390 4.379 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.578 6.575 3.350 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.094 4.980 5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.595 6.627 6.120 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.800 6.158 4.164 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.649 7.363 7.279 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.134 8.259 7.611 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -11.703 7.312 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.856 8.230 6.100 1.00 0.00 H new ATOM 132 N ALA A 23 -3.897 5.930 2.512 1.00 0.00 N ATOM 133 CA ALA A 23 -2.756 6.733 2.914 1.00 0.00 C ATOM 134 C ALA A 23 -3.174 7.965 3.699 1.00 0.00 C ATOM 135 O ALA A 23 -4.081 8.692 3.301 1.00 0.00 O ATOM 136 CB ALA A 23 -1.945 7.137 1.692 1.00 0.00 C ATOM 0 H ALA A 23 -4.161 6.034 1.532 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.139 6.121 3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.092 7.739 2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.590 6.243 1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.571 7.719 1.016 1.00 0.00 H new ATOM 142 N LEU A 24 -2.478 8.201 4.803 1.00 0.00 N ATOM 143 CA LEU A 24 -2.734 9.361 5.644 1.00 0.00 C ATOM 144 C LEU A 24 -1.628 10.379 5.408 1.00 0.00 C ATOM 145 O LEU A 24 -1.704 11.530 5.840 1.00 0.00 O ATOM 146 CB LEU A 24 -2.782 8.953 7.118 1.00 0.00 C ATOM 147 CG LEU A 24 -3.534 7.651 7.406 1.00 0.00 C ATOM 148 CD1 LEU A 24 -3.352 7.241 8.858 1.00 0.00 C ATOM 149 CD2 LEU A 24 -5.010 7.806 7.072 1.00 0.00 C ATOM 0 H LEU A 24 -1.726 7.599 5.138 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.699 9.798 5.389 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.761 8.854 7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.248 9.757 7.687 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.120 6.865 6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.893 6.314 9.045 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.292 7.090 9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.740 8.025 9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.531 6.872 7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.438 8.604 7.678 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.120 8.053 6.016 1.00 0.00 H new ATOM 161 N TYR A 25 -0.602 9.917 4.700 1.00 0.00 N ATOM 162 CA TYR A 25 0.559 10.723 4.350 1.00 0.00 C ATOM 163 C TYR A 25 1.070 10.294 2.978 1.00 0.00 C ATOM 164 O TYR A 25 0.508 9.387 2.364 1.00 0.00 O ATOM 165 CB TYR A 25 1.674 10.573 5.393 1.00 0.00 C ATOM 166 CG TYR A 25 1.235 9.910 6.681 1.00 0.00 C ATOM 167 CD1 TYR A 25 1.152 8.526 6.782 1.00 0.00 C ATOM 168 CD2 TYR A 25 0.910 10.669 7.798 1.00 0.00 C ATOM 169 CE1 TYR A 25 0.755 7.919 7.957 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.511 10.069 8.978 1.00 0.00 C ATOM 171 CZ TYR A 25 0.436 8.694 9.052 1.00 0.00 C ATOM 172 OH TYR A 25 0.040 8.093 10.225 1.00 0.00 O ATOM 0 H TYR A 25 -0.554 8.960 4.350 1.00 0.00 H new ATOM 0 HA TYR A 25 0.262 11.771 4.326 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.487 9.992 4.958 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.075 11.560 5.624 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.402 7.915 5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.970 11.746 7.744 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.695 6.842 8.018 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.260 10.674 9.837 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.147 8.780 10.898 1.00 0.00 H new ATOM 182 N ASP A 26 2.123 10.952 2.498 1.00 0.00 N ATOM 183 CA ASP A 26 2.703 10.634 1.189 1.00 0.00 C ATOM 184 C ASP A 26 2.969 9.131 1.036 1.00 0.00 C ATOM 185 O ASP A 26 2.648 8.333 1.915 1.00 0.00 O ATOM 186 CB ASP A 26 4.003 11.414 0.984 1.00 0.00 C ATOM 187 CG ASP A 26 4.116 12.000 -0.411 1.00 0.00 C ATOM 188 OD1 ASP A 26 3.469 11.465 -1.335 1.00 0.00 O ATOM 189 OD2 ASP A 26 4.851 12.996 -0.577 1.00 0.00 O ATOM 0 H ASP A 26 2.594 11.709 2.993 1.00 0.00 H new ATOM 0 HA ASP A 26 1.979 10.926 0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.060 12.218 1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.851 10.754 1.167 1.00 0.00 H new ATOM 194 N PHE A 27 3.548 8.750 -0.099 1.00 0.00 N ATOM 195 CA PHE A 27 3.833 7.344 -0.381 1.00 0.00 C ATOM 196 C PHE A 27 5.301 6.991 -0.137 1.00 0.00 C ATOM 197 O PHE A 27 6.195 7.811 -0.347 1.00 0.00 O ATOM 198 CB PHE A 27 3.474 7.026 -1.832 1.00 0.00 C ATOM 199 CG PHE A 27 4.428 7.623 -2.829 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.258 8.924 -3.274 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.494 6.884 -3.316 1.00 0.00 C ATOM 202 CE1 PHE A 27 5.133 9.477 -4.190 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.373 7.433 -4.232 1.00 0.00 C ATOM 204 CZ PHE A 27 6.192 8.731 -4.668 1.00 0.00 C ATOM 0 H PHE A 27 3.829 9.394 -0.839 1.00 0.00 H new ATOM 0 HA PHE A 27 3.228 6.747 0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.452 5.944 -1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.468 7.393 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.433 9.512 -2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.640 5.869 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.989 10.491 -4.531 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.200 6.847 -4.606 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.878 9.162 -5.382 1.00 0.00 H new ATOM 214 N GLU A 28 5.533 5.755 0.310 1.00 0.00 N ATOM 215 CA GLU A 28 6.882 5.268 0.586 1.00 0.00 C ATOM 216 C GLU A 28 7.401 4.394 -0.551 1.00 0.00 C ATOM 217 O GLU A 28 8.416 3.715 -0.402 1.00 0.00 O ATOM 218 CB GLU A 28 6.903 4.458 1.879 1.00 0.00 C ATOM 219 CG GLU A 28 6.280 5.174 3.064 1.00 0.00 C ATOM 220 CD GLU A 28 7.284 5.463 4.164 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.590 4.540 4.947 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.765 6.613 4.241 1.00 0.00 O ATOM 0 H GLU A 28 4.798 5.071 0.489 1.00 0.00 H new ATOM 0 HA GLU A 28 7.527 6.141 0.685 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.375 3.518 1.716 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.935 4.206 2.121 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.837 6.111 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.470 4.566 3.467 1.00 0.00 H new ATOM 229 N ALA A 29 6.703 4.402 -1.680 1.00 0.00 N ATOM 230 CA ALA A 29 7.109 3.595 -2.824 1.00 0.00 C ATOM 231 C ALA A 29 8.386 4.143 -3.456 1.00 0.00 C ATOM 232 O ALA A 29 8.357 5.143 -4.171 1.00 0.00 O ATOM 233 CB ALA A 29 5.986 3.541 -3.845 1.00 0.00 C ATOM 0 H ALA A 29 5.858 4.955 -1.828 1.00 0.00 H new ATOM 0 HA ALA A 29 7.318 2.583 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.297 2.936 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.101 3.097 -3.389 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.753 4.551 -4.183 1.00 0.00 H new ATOM 239 N LEU A 30 9.507 3.477 -3.185 1.00 0.00 N ATOM 240 CA LEU A 30 10.798 3.896 -3.726 1.00 0.00 C ATOM 241 C LEU A 30 11.365 2.838 -4.669 1.00 0.00 C ATOM 242 O LEU A 30 12.440 3.016 -5.241 1.00 0.00 O ATOM 243 CB LEU A 30 11.796 4.167 -2.596 1.00 0.00 C ATOM 244 CG LEU A 30 11.179 4.643 -1.280 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.114 4.354 -0.116 1.00 0.00 C ATOM 246 CD2 LEU A 30 10.855 6.128 -1.347 1.00 0.00 C ATOM 0 H LEU A 30 9.547 2.646 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 30 10.638 4.816 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.360 3.254 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.510 4.917 -2.936 1.00 0.00 H new ATOM 0 HG LEU A 30 10.250 4.095 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.658 4.700 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.296 3.281 -0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.059 4.874 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.417 6.448 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.769 6.692 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.146 6.310 -2.155 1.00 0.00 H new ATOM 258 N GLU A 31 10.636 1.738 -4.824 1.00 0.00 N ATOM 259 CA GLU A 31 11.068 0.648 -5.700 1.00 0.00 C ATOM 260 C GLU A 31 10.585 0.873 -7.132 1.00 0.00 C ATOM 261 O GLU A 31 9.959 1.889 -7.430 1.00 0.00 O ATOM 262 CB GLU A 31 10.560 -0.698 -5.180 1.00 0.00 C ATOM 263 CG GLU A 31 11.670 -1.697 -4.901 1.00 0.00 C ATOM 264 CD GLU A 31 11.716 -2.818 -5.922 1.00 0.00 C ATOM 265 OE1 GLU A 31 10.643 -3.353 -6.265 1.00 0.00 O ATOM 266 OE2 GLU A 31 12.828 -3.159 -6.377 1.00 0.00 O ATOM 0 H GLU A 31 9.744 1.575 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 31 12.158 0.634 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.991 -0.534 -4.265 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.873 -1.125 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.628 -1.177 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.530 -2.122 -3.907 1.00 0.00 H new ATOM 273 N GLU A 32 10.898 -0.068 -8.019 1.00 0.00 N ATOM 274 CA GLU A 32 10.506 0.042 -9.423 1.00 0.00 C ATOM 275 C GLU A 32 9.277 -0.812 -9.732 1.00 0.00 C ATOM 276 O GLU A 32 8.675 -0.682 -10.798 1.00 0.00 O ATOM 277 CB GLU A 32 11.667 -0.375 -10.327 1.00 0.00 C ATOM 278 CG GLU A 32 12.157 -1.790 -10.069 1.00 0.00 C ATOM 279 CD GLU A 32 13.631 -1.963 -10.379 1.00 0.00 C ATOM 280 OE1 GLU A 32 14.463 -1.690 -9.487 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.955 -2.372 -11.514 1.00 0.00 O ATOM 0 H GLU A 32 11.421 -0.914 -7.792 1.00 0.00 H new ATOM 0 HA GLU A 32 10.250 1.084 -9.615 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.355 -0.291 -11.368 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.495 0.319 -10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.976 -2.048 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.578 -2.487 -10.675 1.00 0.00 H new ATOM 288 N ASP A 33 8.909 -1.686 -8.799 1.00 0.00 N ATOM 289 CA ASP A 33 7.752 -2.560 -8.985 1.00 0.00 C ATOM 290 C ASP A 33 6.665 -2.254 -7.961 1.00 0.00 C ATOM 291 O ASP A 33 5.839 -3.110 -7.640 1.00 0.00 O ATOM 292 CB ASP A 33 8.174 -4.027 -8.873 1.00 0.00 C ATOM 293 CG ASP A 33 7.922 -4.801 -10.151 1.00 0.00 C ATOM 294 OD1 ASP A 33 8.463 -4.401 -11.204 1.00 0.00 O ATOM 295 OD2 ASP A 33 7.184 -5.807 -10.100 1.00 0.00 O ATOM 0 H ASP A 33 9.393 -1.809 -7.909 1.00 0.00 H new ATOM 0 HA ASP A 33 7.348 -2.377 -9.981 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.234 -4.079 -8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.630 -4.497 -8.054 1.00 0.00 H new ATOM 300 N GLU A 34 6.673 -1.030 -7.447 1.00 0.00 N ATOM 301 CA GLU A 34 5.697 -0.608 -6.452 1.00 0.00 C ATOM 302 C GLU A 34 4.742 0.439 -7.012 1.00 0.00 C ATOM 303 O GLU A 34 4.714 0.697 -8.216 1.00 0.00 O ATOM 304 CB GLU A 34 6.413 -0.040 -5.226 1.00 0.00 C ATOM 305 CG GLU A 34 7.605 0.841 -5.560 1.00 0.00 C ATOM 306 CD GLU A 34 7.337 1.838 -6.680 1.00 0.00 C ATOM 307 OE1 GLU A 34 7.383 1.438 -7.862 1.00 0.00 O ATOM 308 OE2 GLU A 34 7.093 3.022 -6.376 1.00 0.00 O ATOM 0 H GLU A 34 7.348 -0.310 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 34 5.114 -1.484 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.701 0.538 -4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.749 -0.866 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.904 1.386 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.445 0.207 -5.843 1.00 0.00 H new ATOM 315 N LEU A 35 3.973 1.045 -6.116 1.00 0.00 N ATOM 316 CA LEU A 35 3.020 2.079 -6.482 1.00 0.00 C ATOM 317 C LEU A 35 2.984 3.150 -5.398 1.00 0.00 C ATOM 318 O LEU A 35 3.033 2.839 -4.209 1.00 0.00 O ATOM 319 CB LEU A 35 1.631 1.468 -6.677 1.00 0.00 C ATOM 320 CG LEU A 35 0.455 2.365 -6.282 1.00 0.00 C ATOM 321 CD1 LEU A 35 0.184 3.400 -7.362 1.00 0.00 C ATOM 322 CD2 LEU A 35 -0.786 1.526 -6.021 1.00 0.00 C ATOM 0 H LEU A 35 3.994 0.833 -5.119 1.00 0.00 H new ATOM 0 HA LEU A 35 3.330 2.538 -7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.519 1.192 -7.725 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.574 0.547 -6.097 1.00 0.00 H new ATOM 0 HG LEU A 35 0.716 2.891 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.655 4.027 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.069 4.020 -7.502 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.056 2.895 -8.298 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.614 2.178 -5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.048 0.974 -6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.587 0.824 -5.211 1.00 0.00 H new ATOM 334 N GLY A 36 2.912 4.410 -5.810 1.00 0.00 N ATOM 335 CA GLY A 36 2.889 5.492 -4.850 1.00 0.00 C ATOM 336 C GLY A 36 1.579 6.253 -4.830 1.00 0.00 C ATOM 337 O GLY A 36 1.083 6.683 -5.872 1.00 0.00 O ATOM 0 H GLY A 36 2.869 4.699 -6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.082 5.089 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.699 6.185 -5.076 1.00 0.00 H new ATOM 341 N PHE A 37 1.032 6.431 -3.632 1.00 0.00 N ATOM 342 CA PHE A 37 -0.217 7.159 -3.458 1.00 0.00 C ATOM 343 C PHE A 37 0.045 8.526 -2.841 1.00 0.00 C ATOM 344 O PHE A 37 1.194 8.951 -2.713 1.00 0.00 O ATOM 345 CB PHE A 37 -1.187 6.386 -2.561 1.00 0.00 C ATOM 346 CG PHE A 37 -0.526 5.415 -1.626 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.400 5.850 -0.691 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.843 4.068 -1.672 1.00 0.00 C ATOM 349 CE1 PHE A 37 1.002 4.959 0.175 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.247 3.172 -0.807 1.00 0.00 C ATOM 351 CZ PHE A 37 0.677 3.618 0.117 1.00 0.00 C ATOM 0 H PHE A 37 1.437 6.079 -2.765 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.665 7.280 -4.444 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.767 7.099 -1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.891 5.843 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.654 6.898 -0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.565 3.714 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.725 5.310 0.896 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.503 2.124 -0.853 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.145 2.919 0.794 1.00 0.00 H new ATOM 361 N ARG A 38 -1.027 9.208 -2.455 1.00 0.00 N ATOM 362 CA ARG A 38 -0.911 10.524 -1.842 1.00 0.00 C ATOM 363 C ARG A 38 -1.714 10.592 -0.546 1.00 0.00 C ATOM 364 O ARG A 38 -2.466 9.673 -0.222 1.00 0.00 O ATOM 365 CB ARG A 38 -1.384 11.603 -2.814 1.00 0.00 C ATOM 366 CG ARG A 38 -0.821 11.437 -4.216 1.00 0.00 C ATOM 367 CD ARG A 38 -0.657 12.777 -4.909 1.00 0.00 C ATOM 368 NE ARG A 38 -1.892 13.209 -5.561 1.00 0.00 N ATOM 369 CZ ARG A 38 -2.019 14.356 -6.223 1.00 0.00 C ATOM 370 NH1 ARG A 38 -0.989 15.185 -6.324 1.00 0.00 N ATOM 371 NH2 ARG A 38 -3.177 14.674 -6.785 1.00 0.00 N ATOM 0 H ARG A 38 -1.985 8.871 -2.556 1.00 0.00 H new ATOM 0 HA ARG A 38 0.138 10.699 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.473 11.586 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.097 12.581 -2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.143 10.932 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.484 10.801 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.350 13.527 -4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.139 12.707 -5.650 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.704 12.595 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.096 14.944 -5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.089 16.064 -6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.972 14.039 -6.710 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.273 15.554 -7.292 1.00 0.00 H new ATOM 385 N SER A 39 -1.546 11.685 0.193 1.00 0.00 N ATOM 386 CA SER A 39 -2.255 11.874 1.454 1.00 0.00 C ATOM 387 C SER A 39 -3.766 11.797 1.249 1.00 0.00 C ATOM 388 O SER A 39 -4.317 12.446 0.361 1.00 0.00 O ATOM 389 CB SER A 39 -1.883 13.222 2.074 1.00 0.00 C ATOM 390 OG SER A 39 -2.592 13.442 3.281 1.00 0.00 O ATOM 0 H SER A 39 -0.925 12.453 -0.060 1.00 0.00 H new ATOM 0 HA SER A 39 -1.958 11.073 2.131 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.811 13.253 2.268 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.103 14.023 1.368 1.00 0.00 H new ATOM 0 HG SER A 39 -2.249 12.842 3.976 1.00 0.00 H new ATOM 396 N GLY A 40 -4.427 11.001 2.084 1.00 0.00 N ATOM 397 CA GLY A 40 -5.870 10.849 1.993 1.00 0.00 C ATOM 398 C GLY A 40 -6.317 10.203 0.696 1.00 0.00 C ATOM 399 O GLY A 40 -7.013 10.827 -0.106 1.00 0.00 O ATOM 0 H GLY A 40 -3.988 10.456 2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.220 10.247 2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.340 11.828 2.085 1.00 0.00 H new ATOM 403 N GLU A 41 -5.922 8.949 0.484 1.00 0.00 N ATOM 404 CA GLU A 41 -6.296 8.227 -0.729 1.00 0.00 C ATOM 405 C GLU A 41 -6.603 6.762 -0.435 1.00 0.00 C ATOM 406 O GLU A 41 -5.886 6.104 0.317 1.00 0.00 O ATOM 407 CB GLU A 41 -5.181 8.322 -1.772 1.00 0.00 C ATOM 408 CG GLU A 41 -4.782 9.748 -2.111 1.00 0.00 C ATOM 409 CD GLU A 41 -5.843 10.478 -2.911 1.00 0.00 C ATOM 410 OE1 GLU A 41 -6.447 9.850 -3.807 1.00 0.00 O ATOM 411 OE2 GLU A 41 -6.071 11.674 -2.640 1.00 0.00 O ATOM 0 H GLU A 41 -5.346 8.414 1.134 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.199 8.693 -1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.305 7.787 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.504 7.818 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.587 10.295 -1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.851 9.736 -2.677 1.00 0.00 H new ATOM 418 N VAL A 42 -7.675 6.258 -1.044 1.00 0.00 N ATOM 419 CA VAL A 42 -8.085 4.869 -0.859 1.00 0.00 C ATOM 420 C VAL A 42 -7.493 3.980 -1.949 1.00 0.00 C ATOM 421 O VAL A 42 -7.490 4.345 -3.126 1.00 0.00 O ATOM 422 CB VAL A 42 -9.619 4.730 -0.869 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.039 3.375 -0.317 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.263 5.858 -0.077 1.00 0.00 C ATOM 0 H VAL A 42 -8.276 6.793 -1.671 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.710 4.549 0.113 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.963 4.798 -1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.126 3.297 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.609 2.583 -0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.683 3.273 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.347 5.743 -0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.912 5.825 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -9.992 6.816 -0.522 1.00 0.00 H new ATOM 434 N VAL A 43 -6.986 2.818 -1.552 1.00 0.00 N ATOM 435 CA VAL A 43 -6.381 1.882 -2.496 1.00 0.00 C ATOM 436 C VAL A 43 -6.941 0.473 -2.317 1.00 0.00 C ATOM 437 O VAL A 43 -7.179 0.029 -1.197 1.00 0.00 O ATOM 438 CB VAL A 43 -4.850 1.835 -2.324 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.223 0.876 -3.323 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.252 3.226 -2.466 1.00 0.00 C ATOM 0 H VAL A 43 -6.981 2.500 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.624 2.239 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.632 1.469 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.142 0.860 -3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.624 -0.125 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.452 1.205 -4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.171 3.172 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.484 3.623 -3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.672 3.882 -1.704 1.00 0.00 H new ATOM 450 N GLU A 44 -7.135 -0.232 -3.428 1.00 0.00 N ATOM 451 CA GLU A 44 -7.651 -1.596 -3.383 1.00 0.00 C ATOM 452 C GLU A 44 -6.499 -2.596 -3.349 1.00 0.00 C ATOM 453 O GLU A 44 -5.783 -2.764 -4.336 1.00 0.00 O ATOM 454 CB GLU A 44 -8.557 -1.869 -4.587 1.00 0.00 C ATOM 455 CG GLU A 44 -8.952 -3.330 -4.736 1.00 0.00 C ATOM 456 CD GLU A 44 -10.422 -3.507 -5.056 1.00 0.00 C ATOM 457 OE1 GLU A 44 -10.918 -2.814 -5.970 1.00 0.00 O ATOM 458 OE2 GLU A 44 -11.078 -4.339 -4.395 1.00 0.00 O ATOM 0 H GLU A 44 -6.943 0.117 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.242 -1.712 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.460 -1.265 -4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.048 -1.545 -5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.355 -3.785 -5.526 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.718 -3.861 -3.813 1.00 0.00 H new ATOM 465 N VAL A 45 -6.324 -3.255 -2.208 1.00 0.00 N ATOM 466 CA VAL A 45 -5.252 -4.233 -2.051 1.00 0.00 C ATOM 467 C VAL A 45 -5.635 -5.569 -2.673 1.00 0.00 C ATOM 468 O VAL A 45 -6.759 -6.045 -2.504 1.00 0.00 O ATOM 469 CB VAL A 45 -4.894 -4.449 -0.566 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.832 -5.528 -0.415 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.424 -3.146 0.060 1.00 0.00 C ATOM 0 H VAL A 45 -6.908 -3.131 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.380 -3.831 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.791 -4.782 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.597 -5.662 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.206 -6.466 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.932 -5.230 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.175 -3.315 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.542 -2.786 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.218 -2.402 -0.009 1.00 0.00 H new ATOM 481 N LEU A 46 -4.695 -6.165 -3.398 1.00 0.00 N ATOM 482 CA LEU A 46 -4.932 -7.444 -4.053 1.00 0.00 C ATOM 483 C LEU A 46 -4.082 -8.547 -3.432 1.00 0.00 C ATOM 484 O LEU A 46 -4.196 -9.714 -3.808 1.00 0.00 O ATOM 485 CB LEU A 46 -4.635 -7.332 -5.551 1.00 0.00 C ATOM 486 CG LEU A 46 -5.863 -7.376 -6.464 1.00 0.00 C ATOM 487 CD1 LEU A 46 -5.454 -7.182 -7.916 1.00 0.00 C ATOM 488 CD2 LEU A 46 -6.611 -8.690 -6.290 1.00 0.00 C ATOM 0 H LEU A 46 -3.761 -5.782 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.981 -7.706 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.102 -6.398 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.963 -8.142 -5.833 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.531 -6.562 -6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.339 -7.216 -8.551 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.963 -6.216 -8.030 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.766 -7.975 -8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.481 -8.703 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.952 -9.520 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.937 -8.789 -5.255 1.00 0.00 H new ATOM 500 N ASP A 47 -3.230 -8.175 -2.479 1.00 0.00 N ATOM 501 CA ASP A 47 -2.364 -9.143 -1.814 1.00 0.00 C ATOM 502 C ASP A 47 -1.897 -8.631 -0.452 1.00 0.00 C ATOM 503 O ASP A 47 -0.743 -8.236 -0.287 1.00 0.00 O ATOM 504 CB ASP A 47 -1.156 -9.470 -2.693 1.00 0.00 C ATOM 505 CG ASP A 47 -0.825 -10.950 -2.694 1.00 0.00 C ATOM 506 OD1 ASP A 47 -1.756 -11.767 -2.853 1.00 0.00 O ATOM 507 OD2 ASP A 47 0.366 -11.293 -2.535 1.00 0.00 O ATOM 0 H ASP A 47 -3.122 -7.215 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.945 -10.051 -1.653 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.354 -9.144 -3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.291 -8.907 -2.341 1.00 0.00 H new ATOM 512 N SER A 48 -2.801 -8.652 0.524 1.00 0.00 N ATOM 513 CA SER A 48 -2.488 -8.202 1.878 1.00 0.00 C ATOM 514 C SER A 48 -1.656 -9.231 2.607 1.00 0.00 C ATOM 515 O SER A 48 -1.212 -8.989 3.730 1.00 0.00 O ATOM 516 CB SER A 48 -3.772 -7.916 2.658 1.00 0.00 C ATOM 517 OG SER A 48 -4.830 -8.753 2.226 1.00 0.00 O ATOM 0 H SER A 48 -3.760 -8.977 0.402 1.00 0.00 H new ATOM 0 HA SER A 48 -1.910 -7.281 1.803 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.596 -8.068 3.723 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.055 -6.871 2.528 1.00 0.00 H new ATOM 0 HG SER A 48 -5.638 -8.551 2.742 1.00 0.00 H new ATOM 523 N SER A 49 -1.414 -10.372 1.974 1.00 0.00 N ATOM 524 CA SER A 49 -0.599 -11.374 2.619 1.00 0.00 C ATOM 525 C SER A 49 0.848 -10.915 2.583 1.00 0.00 C ATOM 526 O SER A 49 1.453 -10.808 1.517 1.00 0.00 O ATOM 527 CB SER A 49 -0.748 -12.726 1.918 1.00 0.00 C ATOM 528 OG SER A 49 -2.106 -13.121 1.856 1.00 0.00 O ATOM 0 H SER A 49 -1.760 -10.615 1.046 1.00 0.00 H new ATOM 0 HA SER A 49 -0.923 -11.499 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.338 -12.664 0.910 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.170 -13.481 2.451 1.00 0.00 H new ATOM 0 HG SER A 49 -2.174 -13.987 1.402 1.00 0.00 H new ATOM 534 N ASN A 50 1.370 -10.640 3.771 1.00 0.00 N ATOM 535 CA ASN A 50 2.738 -10.168 3.970 1.00 0.00 C ATOM 536 C ASN A 50 2.841 -9.531 5.353 1.00 0.00 C ATOM 537 O ASN A 50 1.819 -9.210 5.961 1.00 0.00 O ATOM 538 CB ASN A 50 3.111 -9.145 2.903 1.00 0.00 C ATOM 539 CG ASN A 50 4.011 -9.714 1.827 1.00 0.00 C ATOM 540 OD1 ASN A 50 5.014 -10.366 2.115 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.648 -9.468 0.573 1.00 0.00 N ATOM 0 H ASN A 50 0.847 -10.740 4.641 1.00 0.00 H new ATOM 0 HA ASN A 50 3.425 -11.010 3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.201 -8.761 2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.610 -8.300 3.377 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.210 -9.825 -0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.808 -8.922 0.383 1.00 0.00 H new ATOM 548 N PRO A 51 4.056 -9.361 5.895 1.00 0.00 N ATOM 549 CA PRO A 51 4.235 -8.791 7.222 1.00 0.00 C ATOM 550 C PRO A 51 4.433 -7.277 7.240 1.00 0.00 C ATOM 551 O PRO A 51 4.551 -6.685 8.314 1.00 0.00 O ATOM 552 CB PRO A 51 5.499 -9.499 7.696 1.00 0.00 C ATOM 553 CG PRO A 51 6.316 -9.677 6.455 1.00 0.00 C ATOM 554 CD PRO A 51 5.347 -9.739 5.294 1.00 0.00 C ATOM 0 HA PRO A 51 3.352 -8.934 7.844 1.00 0.00 H new ATOM 0 HB2 PRO A 51 6.031 -8.906 8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.267 -10.458 8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.014 -8.849 6.331 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.910 -10.589 6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.633 -9.053 4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.308 -10.737 4.858 1.00 0.00 H new ATOM 562 N SER A 52 4.474 -6.641 6.072 1.00 0.00 N ATOM 563 CA SER A 52 4.663 -5.193 6.029 1.00 0.00 C ATOM 564 C SER A 52 4.393 -4.607 4.647 1.00 0.00 C ATOM 565 O SER A 52 3.836 -3.518 4.534 1.00 0.00 O ATOM 566 CB SER A 52 6.084 -4.835 6.468 1.00 0.00 C ATOM 567 OG SER A 52 6.073 -4.116 7.689 1.00 0.00 O ATOM 0 H SER A 52 4.381 -7.092 5.162 1.00 0.00 H new ATOM 0 HA SER A 52 3.937 -4.758 6.716 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.673 -5.745 6.583 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.568 -4.238 5.695 1.00 0.00 H new ATOM 0 HG SER A 52 5.578 -4.625 8.364 1.00 0.00 H new ATOM 573 N TRP A 53 4.802 -5.311 3.599 1.00 0.00 N ATOM 574 CA TRP A 53 4.604 -4.819 2.239 1.00 0.00 C ATOM 575 C TRP A 53 3.571 -5.649 1.483 1.00 0.00 C ATOM 576 O TRP A 53 3.807 -6.817 1.178 1.00 0.00 O ATOM 577 CB TRP A 53 5.927 -4.835 1.474 1.00 0.00 C ATOM 578 CG TRP A 53 6.748 -3.596 1.653 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.639 -3.345 2.654 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.761 -2.444 0.802 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.204 -2.104 2.483 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.682 -1.532 1.351 1.00 0.00 C ATOM 583 CE3 TRP A 53 6.085 -2.096 -0.369 1.00 0.00 C ATOM 584 CZ2 TRP A 53 7.941 -0.295 0.768 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.343 -0.867 -0.948 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.265 0.020 -0.379 1.00 0.00 C ATOM 0 H TRP A 53 5.269 -6.216 3.661 1.00 0.00 H new ATOM 0 HA TRP A 53 4.232 -3.797 2.313 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.512 -5.696 1.798 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.720 -4.971 0.413 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.867 -4.023 3.463 1.00 0.00 H new ATOM 0 HE1 TRP A 53 8.898 -1.678 3.097 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.373 -2.775 -0.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.650 0.392 1.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.825 -0.587 -1.853 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.446 0.972 -0.855 1.00 0.00 H new ATOM 597 N TRP A 54 2.438 -5.031 1.158 1.00 0.00 N ATOM 598 CA TRP A 54 1.387 -5.716 0.411 1.00 0.00 C ATOM 599 C TRP A 54 1.267 -5.134 -0.994 1.00 0.00 C ATOM 600 O TRP A 54 1.415 -3.927 -1.189 1.00 0.00 O ATOM 601 CB TRP A 54 0.025 -5.606 1.109 1.00 0.00 C ATOM 602 CG TRP A 54 0.025 -5.940 2.570 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.922 -6.715 3.238 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.942 -5.521 3.540 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.566 -6.820 4.558 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.570 -6.088 4.772 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.087 -4.720 3.485 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.303 -5.881 5.939 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.812 -4.515 4.644 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.417 -5.092 5.856 1.00 0.00 C ATOM 0 H TRP A 54 2.225 -4.063 1.399 1.00 0.00 H new ATOM 0 HA TRP A 54 1.668 -6.768 0.359 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.347 -4.589 0.986 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.679 -6.266 0.602 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.789 -7.180 2.793 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.067 -7.357 5.266 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.399 -4.270 2.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.002 -6.328 6.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.699 -3.899 4.613 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.004 -4.911 6.744 1.00 0.00 H new ATOM 621 N THR A 55 0.992 -5.993 -1.970 1.00 0.00 N ATOM 622 CA THR A 55 0.845 -5.555 -3.353 1.00 0.00 C ATOM 623 C THR A 55 -0.606 -5.183 -3.661 1.00 0.00 C ATOM 624 O THR A 55 -1.498 -6.030 -3.614 1.00 0.00 O ATOM 625 CB THR A 55 1.306 -6.645 -4.339 1.00 0.00 C ATOM 626 OG1 THR A 55 2.573 -7.177 -3.930 1.00 0.00 O ATOM 627 CG2 THR A 55 1.420 -6.088 -5.750 1.00 0.00 C ATOM 0 H THR A 55 0.867 -6.995 -1.829 1.00 0.00 H new ATOM 0 HA THR A 55 1.476 -4.675 -3.476 1.00 0.00 H new ATOM 0 HB THR A 55 0.560 -7.440 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.856 -7.870 -4.562 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.747 -6.877 -6.427 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.449 -5.712 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.146 -5.275 -5.763 1.00 0.00 H new ATOM 635 N GLY A 56 -0.830 -3.910 -3.981 1.00 0.00 N ATOM 636 CA GLY A 56 -2.171 -3.439 -4.297 1.00 0.00 C ATOM 637 C GLY A 56 -2.167 -2.435 -5.436 1.00 0.00 C ATOM 638 O GLY A 56 -1.124 -2.183 -6.034 1.00 0.00 O ATOM 0 H GLY A 56 -0.105 -3.194 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.800 -4.288 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.613 -2.981 -3.412 1.00 0.00 H new ATOM 642 N ARG A 57 -3.328 -1.861 -5.747 1.00 0.00 N ATOM 643 CA ARG A 57 -3.420 -0.887 -6.834 1.00 0.00 C ATOM 644 C ARG A 57 -4.312 0.298 -6.468 1.00 0.00 C ATOM 645 O ARG A 57 -5.427 0.124 -5.976 1.00 0.00 O ATOM 646 CB ARG A 57 -3.944 -1.558 -8.104 1.00 0.00 C ATOM 647 CG ARG A 57 -5.204 -2.381 -7.880 1.00 0.00 C ATOM 648 CD ARG A 57 -6.205 -2.176 -9.004 1.00 0.00 C ATOM 649 NE ARG A 57 -6.458 -3.408 -9.745 1.00 0.00 N ATOM 650 CZ ARG A 57 -6.660 -3.447 -11.059 1.00 0.00 C ATOM 651 NH1 ARG A 57 -6.627 -2.329 -11.770 1.00 0.00 N ATOM 652 NH2 ARG A 57 -6.892 -4.606 -11.660 1.00 0.00 N ATOM 0 H ARG A 57 -4.209 -2.050 -5.268 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.415 -0.504 -7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.148 -0.792 -8.852 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.166 -2.203 -8.512 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.943 -3.437 -7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.659 -2.102 -6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.142 -1.803 -8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.832 -1.413 -9.687 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.481 -4.286 -9.227 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.446 -1.437 -11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.782 -2.361 -12.778 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.916 -5.468 -11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.047 -4.636 -12.668 1.00 0.00 H new ATOM 666 N LEU A 58 -3.804 1.504 -6.722 1.00 0.00 N ATOM 667 CA LEU A 58 -4.535 2.737 -6.435 1.00 0.00 C ATOM 668 C LEU A 58 -5.158 3.303 -7.701 1.00 0.00 C ATOM 669 O LEU A 58 -4.447 3.624 -8.651 1.00 0.00 O ATOM 670 CB LEU A 58 -3.591 3.783 -5.831 1.00 0.00 C ATOM 671 CG LEU A 58 -4.033 5.245 -5.997 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.976 5.973 -4.665 1.00 0.00 C ATOM 673 CD2 LEU A 58 -3.162 5.953 -7.025 1.00 0.00 C ATOM 0 H LEU A 58 -2.881 1.653 -7.130 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.326 2.500 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.478 3.574 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.607 3.665 -6.285 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.063 5.253 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.292 7.007 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.639 5.482 -3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.955 5.953 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.490 6.987 -7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.123 5.933 -6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.249 5.446 -7.986 1.00 0.00 H new ATOM 685 N HIS A 59 -6.482 3.444 -7.701 1.00 0.00 N ATOM 686 CA HIS A 59 -7.190 3.997 -8.852 1.00 0.00 C ATOM 687 C HIS A 59 -7.043 3.087 -10.073 1.00 0.00 C ATOM 688 O HIS A 59 -7.959 2.337 -10.408 1.00 0.00 O ATOM 689 CB HIS A 59 -6.657 5.402 -9.148 1.00 0.00 C ATOM 690 CG HIS A 59 -7.580 6.255 -9.950 1.00 0.00 C ATOM 691 ND1 HIS A 59 -8.521 5.751 -10.820 1.00 0.00 N ATOM 692 CD2 HIS A 59 -7.689 7.599 -10.013 1.00 0.00 C ATOM 693 CE1 HIS A 59 -9.170 6.753 -11.388 1.00 0.00 C ATOM 694 NE2 HIS A 59 -8.684 7.887 -10.915 1.00 0.00 N ATOM 0 H HIS A 59 -7.084 3.184 -6.920 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.253 4.061 -8.620 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -6.447 5.904 -8.204 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -5.710 5.313 -9.680 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.102 8.315 -9.457 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -9.963 6.660 -12.115 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -8.996 8.822 -11.177 1.00 0.00 H new ATOM 703 N ASN A 60 -5.886 3.149 -10.731 1.00 0.00 N ATOM 704 CA ASN A 60 -5.626 2.322 -11.903 1.00 0.00 C ATOM 705 C ASN A 60 -4.139 2.000 -12.018 1.00 0.00 C ATOM 706 O ASN A 60 -3.663 1.577 -13.072 1.00 0.00 O ATOM 707 CB ASN A 60 -6.111 3.026 -13.173 1.00 0.00 C ATOM 708 CG ASN A 60 -7.588 2.816 -13.424 1.00 0.00 C ATOM 709 OD1 ASN A 60 -8.108 1.712 -13.262 1.00 0.00 O ATOM 710 ND2 ASN A 60 -8.272 3.878 -13.825 1.00 0.00 N ATOM 0 H ASN A 60 -5.115 3.764 -10.470 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.175 1.387 -11.787 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.908 4.094 -13.093 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.544 2.657 -14.028 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.272 3.800 -14.013 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.799 4.774 -13.946 1.00 0.00 H new ATOM 717 N LYS A 61 -3.416 2.191 -10.921 1.00 0.00 N ATOM 718 CA LYS A 61 -1.989 1.916 -10.881 1.00 0.00 C ATOM 719 C LYS A 61 -1.711 0.764 -9.925 1.00 0.00 C ATOM 720 O LYS A 61 -2.125 0.800 -8.770 1.00 0.00 O ATOM 721 CB LYS A 61 -1.227 3.165 -10.440 1.00 0.00 C ATOM 722 CG LYS A 61 -1.415 4.350 -11.372 1.00 0.00 C ATOM 723 CD LYS A 61 -0.743 5.600 -10.831 1.00 0.00 C ATOM 724 CE LYS A 61 0.374 6.073 -11.746 1.00 0.00 C ATOM 725 NZ LYS A 61 0.089 7.416 -12.322 1.00 0.00 N ATOM 0 H LYS A 61 -3.800 2.538 -10.042 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.652 1.635 -11.879 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.553 3.445 -9.438 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.165 2.929 -10.375 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.004 4.111 -12.353 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.479 4.539 -11.510 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.483 6.392 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.340 5.397 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.310 6.108 -11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.511 5.353 -12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.875 7.703 -12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.790 7.377 -12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.017 8.108 -11.553 1.00 0.00 H new ATOM 739 N LEU A 62 -1.021 -0.261 -10.412 1.00 0.00 N ATOM 740 CA LEU A 62 -0.713 -1.426 -9.590 1.00 0.00 C ATOM 741 C LEU A 62 0.739 -1.417 -9.128 1.00 0.00 C ATOM 742 O LEU A 62 1.649 -1.123 -9.905 1.00 0.00 O ATOM 743 CB LEU A 62 -1.008 -2.711 -10.366 1.00 0.00 C ATOM 744 CG LEU A 62 -2.210 -2.634 -11.309 1.00 0.00 C ATOM 745 CD1 LEU A 62 -1.748 -2.434 -12.745 1.00 0.00 C ATOM 746 CD2 LEU A 62 -3.064 -3.886 -11.190 1.00 0.00 C ATOM 0 H LEU A 62 -0.666 -0.310 -11.367 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.347 -1.385 -8.704 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.125 -2.977 -10.947 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.176 -3.518 -9.653 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.819 -1.777 -11.022 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.616 -2.381 -13.402 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.180 -1.506 -12.819 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.117 -3.271 -13.044 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.914 -3.812 -11.868 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.467 -4.760 -11.450 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.424 -3.985 -10.166 1.00 0.00 H new ATOM 758 N GLY A 63 0.945 -1.747 -7.856 1.00 0.00 N ATOM 759 CA GLY A 63 2.283 -1.779 -7.302 1.00 0.00 C ATOM 760 C GLY A 63 2.293 -1.953 -5.793 1.00 0.00 C ATOM 761 O GLY A 63 1.264 -1.803 -5.133 1.00 0.00 O ATOM 0 H GLY A 63 0.205 -1.993 -7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.841 -2.595 -7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.800 -0.855 -7.560 1.00 0.00 H new ATOM 765 N LEU A 64 3.463 -2.275 -5.252 1.00 0.00 N ATOM 766 CA LEU A 64 3.630 -2.483 -3.813 1.00 0.00 C ATOM 767 C LEU A 64 3.355 -1.204 -3.021 1.00 0.00 C ATOM 768 O LEU A 64 3.394 -0.102 -3.566 1.00 0.00 O ATOM 769 CB LEU A 64 5.053 -2.968 -3.512 1.00 0.00 C ATOM 770 CG LEU A 64 5.796 -3.591 -4.693 1.00 0.00 C ATOM 771 CD1 LEU A 64 7.262 -3.801 -4.350 1.00 0.00 C ATOM 772 CD2 LEU A 64 5.151 -4.903 -5.101 1.00 0.00 C ATOM 0 H LEU A 64 4.319 -2.399 -5.792 1.00 0.00 H new ATOM 0 HA LEU A 64 2.907 -3.238 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.636 -2.124 -3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.006 -3.701 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 64 5.735 -2.903 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.775 -4.245 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.721 -2.842 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.343 -4.467 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.695 -5.330 -5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.178 -5.598 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.116 -4.725 -5.391 1.00 0.00 H new ATOM 784 N PHE A 65 3.091 -1.367 -1.725 1.00 0.00 N ATOM 785 CA PHE A 65 2.825 -0.234 -0.842 1.00 0.00 C ATOM 786 C PHE A 65 3.149 -0.591 0.610 1.00 0.00 C ATOM 787 O PHE A 65 3.134 -1.763 0.985 1.00 0.00 O ATOM 788 CB PHE A 65 1.359 0.219 -0.956 1.00 0.00 C ATOM 789 CG PHE A 65 0.429 -0.466 0.006 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.308 -0.005 1.306 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.315 -1.569 -0.380 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.530 -0.627 2.203 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.161 -2.197 0.514 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.267 -1.727 1.809 1.00 0.00 C ATOM 0 H PHE A 65 3.056 -2.276 -1.263 1.00 0.00 H new ATOM 0 HA PHE A 65 3.469 0.589 -1.154 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.308 1.295 -0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.012 0.037 -1.973 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.880 0.855 1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.233 -1.942 -1.390 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.611 -0.256 3.214 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.739 -3.054 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.924 -2.218 2.511 1.00 0.00 H new ATOM 804 N PRO A 66 3.440 0.421 1.450 1.00 0.00 N ATOM 805 CA PRO A 66 3.756 0.211 2.868 1.00 0.00 C ATOM 806 C PRO A 66 2.507 -0.011 3.721 1.00 0.00 C ATOM 807 O PRO A 66 1.744 0.924 3.973 1.00 0.00 O ATOM 808 CB PRO A 66 4.417 1.529 3.254 1.00 0.00 C ATOM 809 CG PRO A 66 3.705 2.530 2.417 1.00 0.00 C ATOM 810 CD PRO A 66 3.482 1.857 1.092 1.00 0.00 C ATOM 0 HA PRO A 66 4.371 -0.675 3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.302 1.740 4.317 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.487 1.518 3.045 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.759 2.822 2.873 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.297 3.438 2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.553 2.184 0.625 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.286 2.074 0.389 1.00 0.00 H new ATOM 818 N ALA A 67 2.303 -1.245 4.171 1.00 0.00 N ATOM 819 CA ALA A 67 1.146 -1.568 5.002 1.00 0.00 C ATOM 820 C ALA A 67 1.258 -0.906 6.370 1.00 0.00 C ATOM 821 O ALA A 67 0.295 -0.870 7.134 1.00 0.00 O ATOM 822 CB ALA A 67 1.001 -3.072 5.156 1.00 0.00 C ATOM 0 H ALA A 67 2.919 -2.034 3.976 1.00 0.00 H new ATOM 0 HA ALA A 67 0.256 -1.181 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.134 -3.292 5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.868 -3.527 4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.897 -3.478 5.626 1.00 0.00 H new ATOM 828 N ASN A 68 2.442 -0.381 6.669 1.00 0.00 N ATOM 829 CA ASN A 68 2.682 0.283 7.943 1.00 0.00 C ATOM 830 C ASN A 68 2.358 1.771 7.844 1.00 0.00 C ATOM 831 O ASN A 68 1.894 2.381 8.807 1.00 0.00 O ATOM 832 CB ASN A 68 4.136 0.079 8.382 1.00 0.00 C ATOM 833 CG ASN A 68 4.843 1.378 8.723 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.068 1.687 9.892 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.201 2.145 7.697 1.00 0.00 N ATOM 0 H ASN A 68 3.249 -0.403 6.046 1.00 0.00 H new ATOM 0 HA ASN A 68 2.026 -0.160 8.692 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.158 -0.579 9.251 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.682 -0.427 7.586 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.682 3.029 7.864 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.994 1.850 6.743 1.00 0.00 H new ATOM 842 N TYR A 69 2.608 2.350 6.671 1.00 0.00 N ATOM 843 CA TYR A 69 2.345 3.766 6.447 1.00 0.00 C ATOM 844 C TYR A 69 0.852 4.034 6.319 1.00 0.00 C ATOM 845 O TYR A 69 0.348 5.036 6.826 1.00 0.00 O ATOM 846 CB TYR A 69 3.067 4.257 5.193 1.00 0.00 C ATOM 847 CG TYR A 69 3.704 5.618 5.354 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.696 5.835 6.303 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.314 6.686 4.558 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.281 7.079 6.452 1.00 0.00 C ATOM 851 CE2 TYR A 69 3.895 7.932 4.701 1.00 0.00 C ATOM 852 CZ TYR A 69 4.876 8.123 5.649 1.00 0.00 C ATOM 853 OH TYR A 69 5.456 9.362 5.794 1.00 0.00 O ATOM 0 H TYR A 69 2.992 1.859 5.863 1.00 0.00 H new ATOM 0 HA TYR A 69 2.722 4.312 7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.837 3.535 4.921 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.358 4.293 4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.015 5.019 6.934 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.544 6.541 3.815 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.051 7.232 7.194 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.581 8.752 4.072 1.00 0.00 H new ATOM 0 HH TYR A 69 5.059 9.986 5.152 1.00 0.00 H new ATOM 863 N VAL A 70 0.144 3.144 5.628 1.00 0.00 N ATOM 864 CA VAL A 70 -1.291 3.314 5.434 1.00 0.00 C ATOM 865 C VAL A 70 -2.074 2.111 5.966 1.00 0.00 C ATOM 866 O VAL A 70 -1.555 0.996 6.024 1.00 0.00 O ATOM 867 CB VAL A 70 -1.617 3.539 3.943 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.505 4.331 3.274 1.00 0.00 C ATOM 869 CG2 VAL A 70 -1.833 2.218 3.222 1.00 0.00 C ATOM 0 H VAL A 70 0.536 2.307 5.198 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.595 4.195 6.000 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.543 4.110 3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.748 4.482 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.401 5.298 3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.433 3.781 3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.061 2.409 2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.929 1.613 3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.664 1.684 3.683 1.00 0.00 H new ATOM 879 N ALA A 71 -3.323 2.353 6.365 1.00 0.00 N ATOM 880 CA ALA A 71 -4.178 1.296 6.908 1.00 0.00 C ATOM 881 C ALA A 71 -5.397 1.049 6.018 1.00 0.00 C ATOM 882 O ALA A 71 -5.867 1.960 5.337 1.00 0.00 O ATOM 883 CB ALA A 71 -4.619 1.659 8.318 1.00 0.00 C ATOM 0 H ALA A 71 -3.765 3.271 6.323 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.598 0.374 6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.255 0.868 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.742 1.774 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.176 2.595 8.295 1.00 0.00 H new ATOM 889 N PRO A 72 -5.917 -0.196 5.998 1.00 0.00 N ATOM 890 CA PRO A 72 -7.074 -0.563 5.169 1.00 0.00 C ATOM 891 C PRO A 72 -8.286 0.332 5.369 1.00 0.00 C ATOM 892 O PRO A 72 -8.290 1.229 6.212 1.00 0.00 O ATOM 893 CB PRO A 72 -7.384 -1.996 5.598 1.00 0.00 C ATOM 894 CG PRO A 72 -6.080 -2.520 6.074 1.00 0.00 C ATOM 895 CD PRO A 72 -5.408 -1.358 6.757 1.00 0.00 C ATOM 0 HA PRO A 72 -6.843 -0.455 4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.136 -2.022 6.386 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.772 -2.586 4.768 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.219 -3.354 6.762 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.478 -2.889 5.244 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.674 -1.300 7.813 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.322 -1.431 6.705 1.00 0.00 H new ATOM 903 N MET A 73 -9.309 0.080 4.559 1.00 0.00 N ATOM 904 CA MET A 73 -10.536 0.857 4.600 1.00 0.00 C ATOM 905 C MET A 73 -11.725 0.023 4.136 1.00 0.00 C ATOM 906 O MET A 73 -11.895 -0.213 2.939 1.00 0.00 O ATOM 907 CB MET A 73 -10.385 2.081 3.702 1.00 0.00 C ATOM 908 CG MET A 73 -11.244 3.263 4.123 1.00 0.00 C ATOM 909 SD MET A 73 -12.988 3.035 3.722 1.00 0.00 S ATOM 910 CE MET A 73 -12.988 3.417 1.973 1.00 0.00 C ATOM 0 H MET A 73 -9.309 -0.664 3.861 1.00 0.00 H new ATOM 0 HA MET A 73 -10.719 1.169 5.628 1.00 0.00 H new ATOM 0 HB2 MET A 73 -9.339 2.388 3.696 1.00 0.00 H new ATOM 0 HB3 MET A 73 -10.642 1.803 2.680 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.140 3.418 5.197 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.878 4.165 3.633 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.015 3.529 1.625 1.00 0.00 H new ATOM 0 HE2 MET A 73 -12.444 4.346 1.803 1.00 0.00 H new ATOM 0 HE3 MET A 73 -12.505 2.608 1.424 1.00 0.00 H new ATOM 920 N MET A 74 -12.545 -0.423 5.081 1.00 0.00 N ATOM 921 CA MET A 74 -13.713 -1.228 4.748 1.00 0.00 C ATOM 922 C MET A 74 -14.807 -0.363 4.131 1.00 0.00 C ATOM 923 O MET A 74 -15.475 0.402 4.829 1.00 0.00 O ATOM 924 CB MET A 74 -14.248 -1.936 5.994 1.00 0.00 C ATOM 925 CG MET A 74 -14.901 -3.276 5.696 1.00 0.00 C ATOM 926 SD MET A 74 -14.986 -4.344 7.144 1.00 0.00 S ATOM 927 CE MET A 74 -16.753 -4.380 7.431 1.00 0.00 C ATOM 0 H MET A 74 -12.423 -0.242 6.077 1.00 0.00 H new ATOM 0 HA MET A 74 -13.410 -1.979 4.018 1.00 0.00 H new ATOM 0 HB2 MET A 74 -13.428 -2.088 6.696 1.00 0.00 H new ATOM 0 HB3 MET A 74 -14.973 -1.289 6.487 1.00 0.00 H new ATOM 0 HG2 MET A 74 -15.908 -3.108 5.314 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.341 -3.781 4.909 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.968 -5.004 8.299 1.00 0.00 H new ATOM 0 HE2 MET A 74 -17.113 -3.367 7.614 1.00 0.00 H new ATOM 0 HE3 MET A 74 -17.256 -4.791 6.555 1.00 0.00 H new ATOM 937 N ARG A 75 -14.987 -0.490 2.820 1.00 0.00 N ATOM 938 CA ARG A 75 -16.002 0.280 2.109 1.00 0.00 C ATOM 939 C ARG A 75 -17.325 -0.477 2.059 1.00 0.00 C ATOM 940 O ARG A 75 -17.372 -1.620 2.560 1.00 0.00 O ATOM 941 CB ARG A 75 -15.533 0.600 0.689 1.00 0.00 C ATOM 942 CG ARG A 75 -15.091 -0.622 -0.096 1.00 0.00 C ATOM 943 CD ARG A 75 -15.205 -0.394 -1.595 1.00 0.00 C ATOM 944 NE ARG A 75 -16.542 -0.704 -2.094 1.00 0.00 N ATOM 945 CZ ARG A 75 -17.517 0.194 -2.201 1.00 0.00 C ATOM 946 NH1 ARG A 75 -17.304 1.454 -1.845 1.00 0.00 N ATOM 947 NH2 ARG A 75 -18.706 -0.169 -2.663 1.00 0.00 N ATOM 948 OXT ARG A 75 -18.304 0.080 1.519 1.00 0.00 O ATOM 0 H ARG A 75 -14.443 -1.119 2.229 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.156 1.213 2.652 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.342 1.094 0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.705 1.308 0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.059 -0.865 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.701 -1.479 0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.964 0.644 -1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.472 -1.013 -2.113 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.739 -1.664 -2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.391 1.736 -1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.053 2.141 -1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.873 -1.137 -2.936 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.453 0.520 -2.745 1.00 0.00 H new TER 962 ARG A 75 ATOM 963 N ALA B 76 4.792 8.553 13.159 1.00 0.00 N ATOM 964 CA ALA B 76 5.556 8.462 11.888 1.00 0.00 C ATOM 965 C ALA B 76 5.916 7.013 11.565 1.00 0.00 C ATOM 966 O ALA B 76 7.021 6.559 11.865 1.00 0.00 O ATOM 967 CB ALA B 76 6.814 9.313 11.967 1.00 0.00 C ATOM 0 HA ALA B 76 4.923 8.840 11.085 1.00 0.00 H new ATOM 0 HB1 ALA B 76 7.364 9.237 11.029 1.00 0.00 H new ATOM 0 HB2 ALA B 76 6.539 10.353 12.143 1.00 0.00 H new ATOM 0 HB3 ALA B 76 7.441 8.960 12.785 1.00 0.00 H new ATOM 975 N PRO B 77 4.984 6.266 10.945 1.00 0.00 N ATOM 976 CA PRO B 77 5.209 4.863 10.579 1.00 0.00 C ATOM 977 C PRO B 77 6.425 4.691 9.676 1.00 0.00 C ATOM 978 O PRO B 77 6.559 5.375 8.663 1.00 0.00 O ATOM 979 CB PRO B 77 3.930 4.474 9.828 1.00 0.00 C ATOM 980 CG PRO B 77 2.903 5.451 10.285 1.00 0.00 C ATOM 981 CD PRO B 77 3.641 6.730 10.551 1.00 0.00 C ATOM 0 HA PRO B 77 5.408 4.244 11.454 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.074 4.528 8.749 1.00 0.00 H new ATOM 0 HB3 PRO B 77 3.632 3.451 10.059 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.135 5.594 9.525 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.400 5.096 11.184 1.00 0.00 H new ATOM 0 HD2 PRO B 77 3.678 7.366 9.666 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.167 7.312 11.342 1.00 0.00 H new ATOM 989 N SER B 78 7.311 3.773 10.050 1.00 0.00 N ATOM 990 CA SER B 78 8.516 3.513 9.268 1.00 0.00 C ATOM 991 C SER B 78 8.439 2.160 8.579 1.00 0.00 C ATOM 992 O SER B 78 8.241 1.130 9.223 1.00 0.00 O ATOM 993 CB SER B 78 9.757 3.576 10.158 1.00 0.00 C ATOM 994 OG SER B 78 10.912 3.161 9.449 1.00 0.00 O ATOM 0 H SER B 78 7.218 3.198 10.887 1.00 0.00 H new ATOM 0 HA SER B 78 8.590 4.285 8.502 1.00 0.00 H new ATOM 0 HB2 SER B 78 9.896 4.594 10.523 1.00 0.00 H new ATOM 0 HB3 SER B 78 9.615 2.941 11.032 1.00 0.00 H new ATOM 0 HG SER B 78 11.693 3.211 10.038 1.00 0.00 H new ATOM 1000 N ILE B 79 8.592 2.175 7.260 1.00 0.00 N ATOM 1001 CA ILE B 79 8.537 0.955 6.471 1.00 0.00 C ATOM 1002 C ILE B 79 9.881 0.666 5.804 1.00 0.00 C ATOM 1003 O ILE B 79 10.519 1.559 5.246 1.00 0.00 O ATOM 1004 CB ILE B 79 7.411 1.039 5.410 1.00 0.00 C ATOM 1005 CG1 ILE B 79 6.299 0.044 5.754 1.00 0.00 C ATOM 1006 CG2 ILE B 79 7.940 0.799 3.999 1.00 0.00 C ATOM 1007 CD1 ILE B 79 6.631 -1.396 5.417 1.00 0.00 C ATOM 0 H ILE B 79 8.755 3.022 6.715 1.00 0.00 H new ATOM 0 HA ILE B 79 8.314 0.131 7.148 1.00 0.00 H new ATOM 0 HB ILE B 79 7.003 2.050 5.428 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.079 0.115 6.819 1.00 0.00 H new ATOM 0 HG13 ILE B 79 5.392 0.331 5.222 1.00 0.00 H new ATOM 0 HG21 ILE B 79 7.118 0.867 3.286 1.00 0.00 H new ATOM 0 HG22 ILE B 79 8.691 1.551 3.759 1.00 0.00 H new ATOM 0 HG23 ILE B 79 8.389 -0.193 3.942 1.00 0.00 H new ATOM 0 HD11 ILE B 79 5.793 -2.036 5.691 1.00 0.00 H new ATOM 0 HD12 ILE B 79 6.821 -1.485 4.347 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.519 -1.704 5.970 1.00 0.00 H new ATOM 1019 N ASP B 80 10.297 -0.594 5.868 1.00 0.00 N ATOM 1020 CA ASP B 80 11.559 -1.022 5.272 1.00 0.00 C ATOM 1021 C ASP B 80 11.305 -1.854 4.020 1.00 0.00 C ATOM 1022 O ASP B 80 10.453 -2.743 4.017 1.00 0.00 O ATOM 1023 CB ASP B 80 12.379 -1.833 6.279 1.00 0.00 C ATOM 1024 CG ASP B 80 13.424 -0.991 6.985 1.00 0.00 C ATOM 1025 OD1 ASP B 80 13.063 0.080 7.517 1.00 0.00 O ATOM 1026 OD2 ASP B 80 14.604 -1.401 7.005 1.00 0.00 O ATOM 0 H ASP B 80 9.777 -1.341 6.329 1.00 0.00 H new ATOM 0 HA ASP B 80 12.123 -0.132 4.993 1.00 0.00 H new ATOM 0 HB2 ASP B 80 11.710 -2.272 7.019 1.00 0.00 H new ATOM 0 HB3 ASP B 80 12.869 -2.659 5.763 1.00 0.00 H new ATOM 1031 N ARG B 81 12.045 -1.560 2.956 1.00 0.00 N ATOM 1032 CA ARG B 81 11.895 -2.281 1.697 1.00 0.00 C ATOM 1033 C ARG B 81 12.514 -3.674 1.785 1.00 0.00 C ATOM 1034 O ARG B 81 12.403 -4.473 0.853 1.00 0.00 O ATOM 1035 CB ARG B 81 12.543 -1.493 0.557 1.00 0.00 C ATOM 1036 CG ARG B 81 12.093 -0.043 0.486 1.00 0.00 C ATOM 1037 CD ARG B 81 11.778 0.377 -0.941 1.00 0.00 C ATOM 1038 NE ARG B 81 12.836 -0.010 -1.870 1.00 0.00 N ATOM 1039 CZ ARG B 81 13.946 0.698 -2.063 1.00 0.00 C ATOM 1040 NH1 ARG B 81 14.139 1.831 -1.399 1.00 0.00 N ATOM 1041 NH2 ARG B 81 14.863 0.273 -2.920 1.00 0.00 N ATOM 0 H ARG B 81 12.755 -0.827 2.940 1.00 0.00 H new ATOM 0 HA ARG B 81 10.829 -2.392 1.496 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.626 -1.523 0.676 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.312 -1.983 -0.389 1.00 0.00 H new ATOM 0 HG2 ARG B 81 11.210 0.095 1.110 1.00 0.00 H new ATOM 0 HG3 ARG B 81 12.874 0.601 0.891 1.00 0.00 H new ATOM 0 HD2 ARG B 81 10.837 -0.076 -1.253 1.00 0.00 H new ATOM 0 HD3 ARG B 81 11.639 1.457 -0.979 1.00 0.00 H new ATOM 0 HE ARG B 81 12.717 -0.872 -2.401 1.00 0.00 H new ATOM 0 HH11 ARG B 81 13.435 2.161 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG B 81 14.991 2.371 -1.549 1.00 0.00 H new ATOM 0 HH21 ARG B 81 14.718 -0.597 -3.432 1.00 0.00 H new ATOM 0 HH22 ARG B 81 15.714 0.816 -3.068 1.00 0.00 H new ATOM 1055 N SER B 82 13.171 -3.957 2.906 1.00 0.00 N ATOM 1056 CA SER B 82 13.815 -5.250 3.115 1.00 0.00 C ATOM 1057 C SER B 82 12.796 -6.340 3.446 1.00 0.00 C ATOM 1058 O SER B 82 13.168 -7.483 3.712 1.00 0.00 O ATOM 1059 CB SER B 82 14.847 -5.150 4.239 1.00 0.00 C ATOM 1060 OG SER B 82 14.303 -4.504 5.375 1.00 0.00 O ATOM 0 H SER B 82 13.272 -3.307 3.685 1.00 0.00 H new ATOM 0 HA SER B 82 14.313 -5.524 2.185 1.00 0.00 H new ATOM 0 HB2 SER B 82 15.188 -6.148 4.513 1.00 0.00 H new ATOM 0 HB3 SER B 82 15.720 -4.600 3.887 1.00 0.00 H new ATOM 0 HG SER B 82 14.982 -4.454 6.080 1.00 0.00 H new ATOM 1066 N THR B 83 11.515 -5.985 3.429 1.00 0.00 N ATOM 1067 CA THR B 83 10.458 -6.944 3.731 1.00 0.00 C ATOM 1068 C THR B 83 9.376 -6.935 2.653 1.00 0.00 C ATOM 1069 O THR B 83 8.220 -7.271 2.913 1.00 0.00 O ATOM 1070 CB THR B 83 9.817 -6.662 5.103 1.00 0.00 C ATOM 1071 OG1 THR B 83 8.813 -7.642 5.393 1.00 0.00 O ATOM 1072 CG2 THR B 83 9.201 -5.273 5.139 1.00 0.00 C ATOM 0 H THR B 83 11.185 -5.045 3.210 1.00 0.00 H new ATOM 0 HA THR B 83 10.924 -7.929 3.757 1.00 0.00 H new ATOM 0 HB THR B 83 10.601 -6.715 5.858 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.303 -7.838 4.580 1.00 0.00 H new ATOM 0 HG21 THR B 83 8.755 -5.098 6.118 1.00 0.00 H new ATOM 0 HG22 THR B 83 9.974 -4.527 4.954 1.00 0.00 H new ATOM 0 HG23 THR B 83 8.432 -5.196 4.371 1.00 0.00 H new ATOM 1080 N LYS B 84 9.761 -6.550 1.441 1.00 0.00 N ATOM 1081 CA LYS B 84 8.829 -6.498 0.318 1.00 0.00 C ATOM 1082 C LYS B 84 8.253 -7.883 0.022 1.00 0.00 C ATOM 1083 O LYS B 84 8.820 -8.894 0.436 1.00 0.00 O ATOM 1084 CB LYS B 84 9.539 -5.956 -0.923 1.00 0.00 C ATOM 1085 CG LYS B 84 9.314 -4.470 -1.157 1.00 0.00 C ATOM 1086 CD LYS B 84 10.577 -3.785 -1.656 1.00 0.00 C ATOM 1087 CE LYS B 84 11.081 -4.411 -2.948 1.00 0.00 C ATOM 1088 NZ LYS B 84 12.547 -4.661 -2.910 1.00 0.00 N ATOM 0 H LYS B 84 10.714 -6.269 1.210 1.00 0.00 H new ATOM 0 HA LYS B 84 8.007 -5.834 0.585 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.609 -6.142 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.195 -6.508 -1.798 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.513 -4.333 -1.884 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.987 -4.000 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.377 -2.726 -1.818 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.353 -3.850 -0.893 1.00 0.00 H new ATOM 0 HE2 LYS B 84 10.557 -5.351 -3.124 1.00 0.00 H new ATOM 0 HE3 LYS B 84 10.847 -3.753 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 12.850 -5.088 -3.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 13.049 -3.761 -2.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 12.769 -5.309 -2.127 1.00 0.00 H new ATOM 1102 N PRO B 85 7.113 -7.950 -0.698 1.00 0.00 N ATOM 1103 CA PRO B 85 6.469 -9.223 -1.042 1.00 0.00 C ATOM 1104 C PRO B 85 7.446 -10.228 -1.641 1.00 0.00 C ATOM 1105 O PRO B 85 7.767 -10.168 -2.829 1.00 0.00 O ATOM 1106 CB PRO B 85 5.419 -8.817 -2.077 1.00 0.00 C ATOM 1107 CG PRO B 85 5.087 -7.406 -1.742 1.00 0.00 C ATOM 1108 CD PRO B 85 6.360 -6.793 -1.229 1.00 0.00 C ATOM 0 HA PRO B 85 6.056 -9.720 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.809 -8.902 -3.091 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.538 -9.456 -2.019 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.722 -6.872 -2.619 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.300 -7.358 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.910 -6.287 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.164 -6.052 -0.454 1.00 0.00 H new ATOM 1116 N ALA B 86 7.913 -11.152 -0.809 1.00 0.00 N ATOM 1117 CA ALA B 86 8.852 -12.175 -1.252 1.00 0.00 C ATOM 1118 C ALA B 86 8.372 -13.566 -0.857 1.00 0.00 C ATOM 1119 O ALA B 86 8.099 -13.778 0.343 1.00 0.00 O ATOM 1120 CB ALA B 86 10.236 -11.910 -0.678 1.00 0.00 C ATOM 1121 OXT ALA B 86 8.271 -14.433 -1.751 1.00 0.00 O ATOM 0 H ALA B 86 7.656 -11.213 0.176 1.00 0.00 H new ATOM 0 HA ALA B 86 8.909 -12.132 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.925 -12.683 -1.018 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.589 -10.935 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA B 86 10.187 -11.922 0.411 1.00 0.00 H new TER 1127 ALA B 86