USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 681 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.21) USER MOD Set 2.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 33 ASN : amide:sc= 0.641 K(o=1.4,f=-3.3) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -179:sc= 0.795 (180deg=0) USER MOD Set 4.1: A 5 LYS NZ :NH3+ -170:sc= 2.17 (180deg=1.09) USER MOD Set 4.2: A 9 THR OG1 : rot 80:sc= 0.808 USER MOD Set 5.1: A 8 ASN : amide:sc= 1.3 K(o=2.6,f=-3.4) USER MOD Set 5.2: A 25 LYS NZ :NH3+ -171:sc= 1.34 (180deg=0.785) USER MOD Single : A 1 GLU N :NH3+ 173:sc= 1.2 (180deg=1.1) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 13 HIS : no HE2:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 14 MET CE :methyl -175:sc=-0.000884 (180deg=-0.049) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 32 CYS SG : rot -170:sc= -0.0151 USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.18) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -92:sc= 0.0785 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0812 X(o=-0.081,f=-0.081) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.171 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.246 K(o=-0.25,f=-0.95) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.482 -0.440 0.944 1.00 0.00 N ATOM 2 CA GLU A 1 6.503 0.118 1.868 1.00 0.00 C ATOM 3 C GLU A 1 6.866 1.551 1.441 1.00 0.00 C ATOM 4 O GLU A 1 6.705 1.915 0.274 1.00 0.00 O ATOM 5 CB GLU A 1 7.776 -0.761 1.960 1.00 0.00 C ATOM 6 CG GLU A 1 7.626 -2.043 2.804 1.00 0.00 C ATOM 7 CD GLU A 1 6.909 -3.190 2.075 1.00 0.00 C ATOM 8 OE1 GLU A 1 5.683 -3.070 1.833 1.00 0.00 O ATOM 9 OE2 GLU A 1 7.561 -4.209 1.737 1.00 0.00 O ATOM 0 H1 GLU A 1 5.327 -1.445 1.163 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.589 0.081 1.058 1.00 0.00 H new ATOM 0 H3 GLU A 1 5.814 -0.347 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 1 6.063 0.132 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.078 -1.042 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 1 8.584 -0.161 2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.616 -2.383 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 1 7.076 -1.804 3.714 1.00 0.00 H new ATOM 18 N ASP A 2 7.353 2.368 2.380 1.00 0.00 N ATOM 19 CA ASP A 2 7.826 3.740 2.158 1.00 0.00 C ATOM 20 C ASP A 2 8.968 4.010 3.144 1.00 0.00 C ATOM 21 O ASP A 2 9.017 3.397 4.214 1.00 0.00 O ATOM 22 CB ASP A 2 6.678 4.740 2.381 1.00 0.00 C ATOM 23 CG ASP A 2 7.077 6.213 2.171 1.00 0.00 C ATOM 24 OD1 ASP A 2 8.042 6.501 1.428 1.00 0.00 O ATOM 25 OD2 ASP A 2 6.430 7.097 2.778 1.00 0.00 O ATOM 0 H ASP A 2 7.432 2.081 3.356 1.00 0.00 H new ATOM 0 HA ASP A 2 8.178 3.858 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.861 4.496 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.297 4.619 3.395 1.00 0.00 H new ATOM 30 N ARG A 3 9.872 4.929 2.798 1.00 0.00 N ATOM 31 CA ARG A 3 10.953 5.406 3.663 1.00 0.00 C ATOM 32 C ARG A 3 10.677 6.867 4.040 1.00 0.00 C ATOM 33 O ARG A 3 11.565 7.720 3.964 1.00 0.00 O ATOM 34 CB ARG A 3 12.323 5.162 2.997 1.00 0.00 C ATOM 35 CG ARG A 3 12.667 3.673 2.851 1.00 0.00 C ATOM 36 CD ARG A 3 12.992 2.998 4.190 1.00 0.00 C ATOM 37 NE ARG A 3 13.407 1.594 4.001 1.00 0.00 N ATOM 38 CZ ARG A 3 13.771 0.742 4.971 1.00 0.00 C ATOM 39 NH1 ARG A 3 13.785 1.129 6.247 1.00 0.00 N ATOM 40 NH2 ARG A 3 14.124 -0.502 4.656 1.00 0.00 N ATOM 0 H ARG A 3 9.872 5.375 1.881 1.00 0.00 H new ATOM 0 HA ARG A 3 10.989 4.843 4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.329 5.628 2.012 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.099 5.652 3.586 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.828 3.156 2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.520 3.567 2.181 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.787 3.549 4.693 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.117 3.036 4.840 1.00 0.00 H new ATOM 0 HE ARG A 3 13.418 1.239 3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 3 13.517 2.082 6.494 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.064 0.472 6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 3 14.117 -0.803 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.402 -1.154 5.389 1.00 0.00 H new ATOM 54 N SER A 4 9.421 7.155 4.397 1.00 0.00 N ATOM 55 CA SER A 4 8.920 8.488 4.714 1.00 0.00 C ATOM 56 C SER A 4 9.218 9.505 3.598 1.00 0.00 C ATOM 57 O SER A 4 9.576 10.654 3.878 1.00 0.00 O ATOM 58 CB SER A 4 9.411 8.920 6.107 1.00 0.00 C ATOM 59 OG SER A 4 9.162 7.899 7.073 1.00 0.00 O ATOM 0 H SER A 4 8.702 6.436 4.475 1.00 0.00 H new ATOM 0 HA SER A 4 7.832 8.453 4.761 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.478 9.138 6.069 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.908 9.840 6.406 1.00 0.00 H new ATOM 0 HG SER A 4 9.483 8.194 7.951 1.00 0.00 H new ATOM 65 N LYS A 5 9.089 9.100 2.323 1.00 0.00 N ATOM 66 CA LYS A 5 9.398 9.982 1.195 1.00 0.00 C ATOM 67 C LYS A 5 8.403 11.146 1.114 1.00 0.00 C ATOM 68 O LYS A 5 8.779 12.230 0.672 1.00 0.00 O ATOM 69 CB LYS A 5 9.441 9.170 -0.115 1.00 0.00 C ATOM 70 CG LYS A 5 10.181 9.942 -1.222 1.00 0.00 C ATOM 71 CD LYS A 5 10.185 9.212 -2.570 1.00 0.00 C ATOM 72 CE LYS A 5 11.020 10.034 -3.565 1.00 0.00 C ATOM 73 NZ LYS A 5 11.063 9.432 -4.924 1.00 0.00 N ATOM 0 H LYS A 5 8.773 8.169 2.053 1.00 0.00 H new ATOM 0 HA LYS A 5 10.384 10.420 1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.938 8.216 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.425 8.945 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.715 10.920 -1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.210 10.117 -0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.604 8.212 -2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.166 9.091 -2.939 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.607 11.041 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.037 10.131 -3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.770 9.930 -5.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.321 8.427 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.128 9.517 -5.371 1.00 0.00 H new ATOM 87 N THR A 6 7.161 10.953 1.575 1.00 0.00 N ATOM 88 CA THR A 6 6.041 11.897 1.484 1.00 0.00 C ATOM 89 C THR A 6 5.577 12.118 0.047 1.00 0.00 C ATOM 90 O THR A 6 4.394 11.927 -0.231 1.00 0.00 O ATOM 91 CB THR A 6 6.340 13.190 2.280 1.00 0.00 C ATOM 92 OG1 THR A 6 6.811 12.875 3.588 1.00 0.00 O ATOM 93 CG2 THR A 6 5.096 14.069 2.439 1.00 0.00 C ATOM 0 H THR A 6 6.897 10.088 2.047 1.00 0.00 H new ATOM 0 HA THR A 6 5.174 11.449 1.969 1.00 0.00 H new ATOM 0 HB THR A 6 7.097 13.731 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.997 13.704 4.077 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.353 14.965 3.004 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.724 14.355 1.455 1.00 0.00 H new ATOM 0 HG23 THR A 6 4.324 13.514 2.971 1.00 0.00 H new ATOM 101 N THR A 7 6.453 12.488 -0.877 1.00 0.00 N ATOM 102 CA THR A 7 6.084 12.734 -2.260 1.00 0.00 C ATOM 103 C THR A 7 5.609 11.441 -2.931 1.00 0.00 C ATOM 104 O THR A 7 6.080 10.342 -2.625 1.00 0.00 O ATOM 105 CB THR A 7 7.240 13.434 -2.997 1.00 0.00 C ATOM 106 OG1 THR A 7 8.470 12.772 -2.752 1.00 0.00 O ATOM 107 CG2 THR A 7 7.372 14.880 -2.511 1.00 0.00 C ATOM 0 H THR A 7 7.445 12.626 -0.685 1.00 0.00 H new ATOM 0 HA THR A 7 5.235 13.416 -2.303 1.00 0.00 H new ATOM 0 HB THR A 7 7.017 13.409 -4.064 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.190 13.232 -3.231 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.192 15.367 -3.038 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.444 15.416 -2.709 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.574 14.887 -1.440 1.00 0.00 H new ATOM 115 N ASN A 8 4.653 11.586 -3.850 1.00 0.00 N ATOM 116 CA ASN A 8 4.182 10.482 -4.686 1.00 0.00 C ATOM 117 C ASN A 8 5.068 10.498 -5.903 1.00 0.00 C ATOM 118 O ASN A 8 5.167 11.533 -6.560 1.00 0.00 O ATOM 119 CB ASN A 8 2.702 10.648 -5.075 1.00 0.00 C ATOM 120 CG ASN A 8 1.801 9.725 -4.258 1.00 0.00 C ATOM 121 OD1 ASN A 8 1.714 9.853 -3.040 1.00 0.00 O ATOM 122 ND2 ASN A 8 1.143 8.776 -4.896 1.00 0.00 N ATOM 0 H ASN A 8 4.184 12.472 -4.035 1.00 0.00 H new ATOM 0 HA ASN A 8 4.237 9.532 -4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.398 11.684 -4.921 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.578 10.433 -6.136 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.548 8.131 -4.377 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.230 8.688 -5.908 1.00 0.00 H new ATOM 129 N THR A 9 5.697 9.368 -6.198 1.00 0.00 N ATOM 130 CA THR A 9 6.436 9.181 -7.429 1.00 0.00 C ATOM 131 C THR A 9 5.630 8.213 -8.294 1.00 0.00 C ATOM 132 O THR A 9 4.960 7.319 -7.777 1.00 0.00 O ATOM 133 CB THR A 9 7.871 8.728 -7.111 1.00 0.00 C ATOM 134 OG1 THR A 9 8.487 9.653 -6.229 1.00 0.00 O ATOM 135 CG2 THR A 9 8.752 8.537 -8.349 1.00 0.00 C ATOM 0 H THR A 9 5.706 8.554 -5.583 1.00 0.00 H new ATOM 0 HA THR A 9 6.557 10.104 -7.996 1.00 0.00 H new ATOM 0 HB THR A 9 7.780 7.748 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.186 9.481 -5.312 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.748 8.217 -8.041 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.311 7.778 -8.996 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.825 9.479 -8.892 1.00 0.00 H new ATOM 143 N TRP A 10 5.719 8.372 -9.608 1.00 0.00 N ATOM 144 CA TRP A 10 5.211 7.452 -10.613 1.00 0.00 C ATOM 145 C TRP A 10 6.292 7.329 -11.680 1.00 0.00 C ATOM 146 O TRP A 10 7.148 8.208 -11.796 1.00 0.00 O ATOM 147 CB TRP A 10 3.897 7.988 -11.199 1.00 0.00 C ATOM 148 CG TRP A 10 2.771 8.156 -10.226 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.837 7.226 -9.950 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.373 9.333 -9.470 1.00 0.00 C ATOM 151 NE1 TRP A 10 0.937 7.712 -9.025 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.178 9.041 -8.750 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.865 10.647 -9.388 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.488 10.016 -8.016 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.169 11.640 -8.678 1.00 0.00 C ATOM 156 CH2 TRP A 10 0.978 11.333 -7.997 1.00 0.00 C ATOM 0 H TRP A 10 6.171 9.188 -10.021 1.00 0.00 H new ATOM 0 HA TRP A 10 4.990 6.473 -10.188 1.00 0.00 H new ATOM 0 HB2 TRP A 10 4.096 8.953 -11.666 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.571 7.312 -11.990 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.798 6.240 -10.390 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.191 7.161 -8.600 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.794 10.898 -9.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.409 9.758 -7.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.553 12.649 -8.655 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.443 12.104 -7.463 1.00 0.00 H new ATOM 167 N VAL A 11 6.260 6.265 -12.469 1.00 0.00 N ATOM 168 CA VAL A 11 7.080 6.123 -13.659 1.00 0.00 C ATOM 169 C VAL A 11 6.152 5.860 -14.845 1.00 0.00 C ATOM 170 O VAL A 11 5.151 5.152 -14.709 1.00 0.00 O ATOM 171 CB VAL A 11 8.211 5.099 -13.442 1.00 0.00 C ATOM 172 CG1 VAL A 11 7.704 3.668 -13.209 1.00 0.00 C ATOM 173 CG2 VAL A 11 9.214 5.130 -14.608 1.00 0.00 C ATOM 0 H VAL A 11 5.653 5.464 -12.296 1.00 0.00 H new ATOM 0 HA VAL A 11 7.623 7.040 -13.888 1.00 0.00 H new ATOM 0 HB VAL A 11 8.717 5.402 -12.525 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.553 3.000 -13.064 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.070 3.646 -12.323 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.129 3.340 -14.075 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.002 4.398 -14.430 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.699 4.889 -15.538 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.653 6.125 -14.684 1.00 0.00 H new ATOM 183 N LEU A 12 6.462 6.457 -15.997 1.00 0.00 N ATOM 184 CA LEU A 12 5.697 6.336 -17.227 1.00 0.00 C ATOM 185 C LEU A 12 6.635 5.864 -18.316 1.00 0.00 C ATOM 186 O LEU A 12 7.620 6.544 -18.596 1.00 0.00 O ATOM 187 CB LEU A 12 5.114 7.700 -17.645 1.00 0.00 C ATOM 188 CG LEU A 12 4.131 8.340 -16.666 1.00 0.00 C ATOM 189 CD1 LEU A 12 3.728 9.718 -17.206 1.00 0.00 C ATOM 190 CD2 LEU A 12 2.905 7.446 -16.500 1.00 0.00 C ATOM 0 H LEU A 12 7.281 7.057 -16.097 1.00 0.00 H new ATOM 0 HA LEU A 12 4.877 5.635 -17.072 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.941 8.393 -17.803 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.612 7.579 -18.605 1.00 0.00 H new ATOM 0 HG LEU A 12 4.598 8.457 -15.688 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.026 10.188 -16.517 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.615 10.344 -17.303 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.257 9.603 -18.182 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.209 7.909 -15.801 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.416 7.316 -17.466 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.213 6.474 -16.115 1.00 0.00 H new ATOM 202 N HIS A 13 6.322 4.735 -18.940 1.00 0.00 N ATOM 203 CA HIS A 13 7.013 4.302 -20.138 1.00 0.00 C ATOM 204 C HIS A 13 6.219 4.857 -21.320 1.00 0.00 C ATOM 205 O HIS A 13 5.038 4.525 -21.466 1.00 0.00 O ATOM 206 CB HIS A 13 7.151 2.775 -20.187 1.00 0.00 C ATOM 207 CG HIS A 13 7.770 2.301 -21.480 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.149 1.553 -22.458 1.00 0.00 N ATOM 209 CD2 HIS A 13 9.033 2.582 -21.932 1.00 0.00 C ATOM 210 CE1 HIS A 13 8.020 1.382 -23.468 1.00 0.00 C ATOM 211 NE2 HIS A 13 9.189 1.994 -23.194 1.00 0.00 N ATOM 0 H HIS A 13 5.586 4.101 -18.629 1.00 0.00 H new ATOM 0 HA HIS A 13 8.036 4.678 -20.162 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.762 2.440 -19.349 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.168 2.319 -20.068 1.00 0.00 H new ATOM 0 HD1 HIS A 13 6.196 1.192 -22.422 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.780 3.158 -21.406 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.812 0.831 -24.373 1.00 0.00 H new ATOM 219 N MET A 14 6.834 5.720 -22.128 1.00 0.00 N ATOM 220 CA MET A 14 6.214 6.378 -23.265 1.00 0.00 C ATOM 221 C MET A 14 7.272 6.568 -24.348 1.00 0.00 C ATOM 222 O MET A 14 8.385 7.000 -24.048 1.00 0.00 O ATOM 223 CB MET A 14 5.610 7.741 -22.865 1.00 0.00 C ATOM 224 CG MET A 14 4.548 7.638 -21.757 1.00 0.00 C ATOM 225 SD MET A 14 3.640 9.155 -21.344 1.00 0.00 S ATOM 226 CE MET A 14 4.993 10.286 -20.922 1.00 0.00 C ATOM 0 H MET A 14 7.810 5.986 -22.000 1.00 0.00 H new ATOM 0 HA MET A 14 5.399 5.758 -23.637 1.00 0.00 H new ATOM 0 HB2 MET A 14 6.411 8.400 -22.530 1.00 0.00 H new ATOM 0 HB3 MET A 14 5.163 8.204 -23.745 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.823 6.879 -22.051 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.037 7.278 -20.852 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.580 11.229 -20.563 1.00 0.00 H new ATOM 0 HE2 MET A 14 5.610 9.840 -20.142 1.00 0.00 H new ATOM 0 HE3 MET A 14 5.603 10.470 -21.807 1.00 0.00 H new ATOM 236 N ASP A 15 6.931 6.259 -25.602 1.00 0.00 N ATOM 237 CA ASP A 15 7.779 6.466 -26.785 1.00 0.00 C ATOM 238 C ASP A 15 9.211 5.924 -26.612 1.00 0.00 C ATOM 239 O ASP A 15 10.194 6.521 -27.062 1.00 0.00 O ATOM 240 CB ASP A 15 7.716 7.930 -27.249 1.00 0.00 C ATOM 241 CG ASP A 15 8.361 8.133 -28.635 1.00 0.00 C ATOM 242 OD1 ASP A 15 8.116 7.316 -29.557 1.00 0.00 O ATOM 243 OD2 ASP A 15 9.059 9.158 -28.834 1.00 0.00 O ATOM 0 H ASP A 15 6.028 5.844 -25.832 1.00 0.00 H new ATOM 0 HA ASP A 15 7.369 5.861 -27.594 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.676 8.253 -27.284 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.222 8.562 -26.519 1.00 0.00 H new ATOM 248 N GLY A 16 9.338 4.775 -25.937 1.00 0.00 N ATOM 249 CA GLY A 16 10.611 4.088 -25.736 1.00 0.00 C ATOM 250 C GLY A 16 11.500 4.713 -24.652 1.00 0.00 C ATOM 251 O GLY A 16 12.658 4.307 -24.520 1.00 0.00 O ATOM 0 H GLY A 16 8.546 4.293 -25.511 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.413 3.049 -25.473 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.159 4.079 -26.678 1.00 0.00 H new ATOM 255 N GLU A 17 10.996 5.681 -23.879 1.00 0.00 N ATOM 256 CA GLU A 17 11.661 6.302 -22.745 1.00 0.00 C ATOM 257 C GLU A 17 10.862 6.047 -21.466 1.00 0.00 C ATOM 258 O GLU A 17 9.651 5.823 -21.513 1.00 0.00 O ATOM 259 CB GLU A 17 11.880 7.808 -22.978 1.00 0.00 C ATOM 260 CG GLU A 17 13.079 8.054 -23.900 1.00 0.00 C ATOM 261 CD GLU A 17 13.372 9.558 -24.059 1.00 0.00 C ATOM 262 OE1 GLU A 17 14.159 10.112 -23.251 1.00 0.00 O ATOM 263 OE2 GLU A 17 12.853 10.190 -25.014 1.00 0.00 O ATOM 0 H GLU A 17 10.066 6.067 -24.042 1.00 0.00 H new ATOM 0 HA GLU A 17 12.646 5.850 -22.633 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.983 8.245 -23.417 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.043 8.307 -22.023 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.958 7.552 -23.496 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.883 7.615 -24.878 1.00 0.00 H new ATOM 270 N ASN A 18 11.540 6.096 -20.318 1.00 0.00 N ATOM 271 CA ASN A 18 10.920 6.068 -19.001 1.00 0.00 C ATOM 272 C ASN A 18 11.059 7.451 -18.382 1.00 0.00 C ATOM 273 O ASN A 18 12.173 7.958 -18.240 1.00 0.00 O ATOM 274 CB ASN A 18 11.515 4.981 -18.093 1.00 0.00 C ATOM 275 CG ASN A 18 10.814 3.641 -18.293 1.00 0.00 C ATOM 276 OD1 ASN A 18 9.768 3.388 -17.701 1.00 0.00 O ATOM 277 ND2 ASN A 18 11.346 2.768 -19.134 1.00 0.00 N ATOM 0 H ASN A 18 12.558 6.158 -20.282 1.00 0.00 H new ATOM 0 HA ASN A 18 9.866 5.811 -19.110 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.579 4.871 -18.304 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.426 5.287 -17.051 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.887 1.872 -19.297 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.215 2.991 -19.619 1.00 0.00 H new ATOM 284 N PHE A 19 9.931 8.045 -17.999 1.00 0.00 N ATOM 285 CA PHE A 19 9.843 9.356 -17.359 1.00 0.00 C ATOM 286 C PHE A 19 9.420 9.145 -15.912 1.00 0.00 C ATOM 287 O PHE A 19 8.381 8.534 -15.666 1.00 0.00 O ATOM 288 CB PHE A 19 8.811 10.234 -18.091 1.00 0.00 C ATOM 289 CG PHE A 19 9.120 10.488 -19.553 1.00 0.00 C ATOM 290 CD1 PHE A 19 8.734 9.546 -20.526 1.00 0.00 C ATOM 291 CD2 PHE A 19 9.805 11.656 -19.941 1.00 0.00 C ATOM 292 CE1 PHE A 19 9.067 9.756 -21.874 1.00 0.00 C ATOM 293 CE2 PHE A 19 10.142 11.861 -21.291 1.00 0.00 C ATOM 294 CZ PHE A 19 9.782 10.904 -22.257 1.00 0.00 C ATOM 0 H PHE A 19 9.018 7.610 -18.131 1.00 0.00 H new ATOM 0 HA PHE A 19 10.808 9.862 -17.400 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.833 9.759 -18.018 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.739 11.192 -17.577 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.183 8.664 -20.236 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.072 12.395 -19.201 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.772 9.032 -22.620 1.00 0.00 H new ATOM 0 HE2 PHE A 19 10.676 12.752 -21.586 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.055 11.051 -23.292 1.00 0.00 H new ATOM 304 N ARG A 20 10.192 9.638 -14.942 1.00 0.00 N ATOM 305 CA ARG A 20 9.748 9.686 -13.554 1.00 0.00 C ATOM 306 C ARG A 20 8.927 10.947 -13.361 1.00 0.00 C ATOM 307 O ARG A 20 9.267 12.002 -13.893 1.00 0.00 O ATOM 308 CB ARG A 20 10.917 9.574 -12.570 1.00 0.00 C ATOM 309 CG ARG A 20 11.366 8.104 -12.490 1.00 0.00 C ATOM 310 CD ARG A 20 11.666 7.691 -11.051 1.00 0.00 C ATOM 311 NE ARG A 20 12.807 8.438 -10.476 1.00 0.00 N ATOM 312 CZ ARG A 20 14.108 8.122 -10.572 1.00 0.00 C ATOM 313 NH1 ARG A 20 14.501 7.047 -11.253 1.00 0.00 N ATOM 314 NH2 ARG A 20 15.019 8.893 -9.986 1.00 0.00 N ATOM 0 H ARG A 20 11.129 10.010 -15.096 1.00 0.00 H new ATOM 0 HA ARG A 20 9.121 8.822 -13.337 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.745 10.203 -12.896 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.615 9.930 -11.585 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.587 7.461 -12.900 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.255 7.959 -13.104 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.781 7.856 -10.437 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.882 6.623 -11.020 1.00 0.00 H new ATOM 0 HE ARG A 20 12.581 9.283 -9.951 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.810 6.452 -11.710 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.493 6.819 -11.318 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.728 9.721 -9.466 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.009 8.657 -10.056 1.00 0.00 H new ATOM 328 N ILE A 21 7.869 10.821 -12.578 1.00 0.00 N ATOM 329 CA ILE A 21 7.011 11.903 -12.133 1.00 0.00 C ATOM 330 C ILE A 21 7.158 11.922 -10.625 1.00 0.00 C ATOM 331 O ILE A 21 7.076 10.857 -10.027 1.00 0.00 O ATOM 332 CB ILE A 21 5.538 11.663 -12.529 1.00 0.00 C ATOM 333 CG1 ILE A 21 5.386 11.430 -14.043 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.602 12.782 -12.025 1.00 0.00 C ATOM 335 CD1 ILE A 21 5.767 12.600 -14.948 1.00 0.00 C ATOM 0 H ILE A 21 7.571 9.914 -12.218 1.00 0.00 H new ATOM 0 HA ILE A 21 7.294 12.850 -12.593 1.00 0.00 H new ATOM 0 HB ILE A 21 5.226 10.748 -12.026 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.996 10.570 -14.320 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.349 11.164 -14.246 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.578 12.565 -12.330 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.653 12.837 -10.938 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.913 13.736 -12.451 1.00 0.00 H new ATOM 0 HD11 ILE A 21 5.618 12.317 -15.990 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.141 13.461 -14.713 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.814 12.858 -14.788 1.00 0.00 H new ATOM 347 N VAL A 22 7.314 13.081 -10.002 1.00 0.00 N ATOM 348 CA VAL A 22 7.244 13.241 -8.566 1.00 0.00 C ATOM 349 C VAL A 22 6.325 14.432 -8.314 1.00 0.00 C ATOM 350 O VAL A 22 6.596 15.533 -8.782 1.00 0.00 O ATOM 351 CB VAL A 22 8.651 13.393 -7.947 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.572 13.417 -6.414 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.596 12.248 -8.336 1.00 0.00 C ATOM 0 H VAL A 22 7.497 13.954 -10.497 1.00 0.00 H new ATOM 0 HA VAL A 22 6.834 12.358 -8.076 1.00 0.00 H new ATOM 0 HB VAL A 22 9.044 14.332 -8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.574 13.525 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.955 14.257 -6.095 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.130 12.486 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.570 12.407 -7.873 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.181 11.301 -7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.709 12.222 -9.420 1.00 0.00 H new ATOM 363 N LEU A 23 5.231 14.219 -7.591 1.00 0.00 N ATOM 364 CA LEU A 23 4.377 15.297 -7.091 1.00 0.00 C ATOM 365 C LEU A 23 4.940 15.738 -5.744 1.00 0.00 C ATOM 366 O LEU A 23 5.050 14.913 -4.834 1.00 0.00 O ATOM 367 CB LEU A 23 2.940 14.762 -6.930 1.00 0.00 C ATOM 368 CG LEU A 23 2.016 15.575 -5.987 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.600 16.930 -6.562 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.765 14.769 -5.636 1.00 0.00 C ATOM 0 H LEU A 23 4.907 13.287 -7.332 1.00 0.00 H new ATOM 0 HA LEU A 23 4.355 16.143 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.476 14.721 -7.915 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.994 13.738 -6.560 1.00 0.00 H new ATOM 0 HG LEU A 23 2.603 15.772 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.955 17.445 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.488 17.534 -6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.060 16.778 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.128 15.355 -4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.218 14.531 -6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.056 13.845 -5.136 1.00 0.00 H new ATOM 382 N GLU A 24 5.251 17.022 -5.595 1.00 0.00 N ATOM 383 CA GLU A 24 5.574 17.626 -4.318 1.00 0.00 C ATOM 384 C GLU A 24 4.246 18.007 -3.664 1.00 0.00 C ATOM 385 O GLU A 24 3.516 18.844 -4.193 1.00 0.00 O ATOM 386 CB GLU A 24 6.527 18.820 -4.509 1.00 0.00 C ATOM 387 CG GLU A 24 7.868 18.552 -3.828 1.00 0.00 C ATOM 388 CD GLU A 24 7.824 18.535 -2.282 1.00 0.00 C ATOM 389 OE1 GLU A 24 6.734 18.363 -1.684 1.00 0.00 O ATOM 390 OE2 GLU A 24 8.908 18.675 -1.666 1.00 0.00 O ATOM 0 H GLU A 24 5.285 17.678 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 24 6.109 16.938 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.683 19.001 -5.572 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.076 19.722 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.250 17.592 -4.176 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.579 19.313 -4.148 1.00 0.00 H new ATOM 397 N LYS A 25 3.887 17.367 -2.547 1.00 0.00 N ATOM 398 CA LYS A 25 2.550 17.502 -1.966 1.00 0.00 C ATOM 399 C LYS A 25 2.352 18.872 -1.315 1.00 0.00 C ATOM 400 O LYS A 25 1.216 19.340 -1.234 1.00 0.00 O ATOM 401 CB LYS A 25 2.300 16.373 -0.952 1.00 0.00 C ATOM 402 CG LYS A 25 2.104 15.027 -1.667 1.00 0.00 C ATOM 403 CD LYS A 25 1.852 13.889 -0.668 1.00 0.00 C ATOM 404 CE LYS A 25 1.544 12.598 -1.450 1.00 0.00 C ATOM 405 NZ LYS A 25 1.630 11.375 -0.605 1.00 0.00 N ATOM 0 H LYS A 25 4.508 16.748 -2.026 1.00 0.00 H new ATOM 0 HA LYS A 25 1.822 17.421 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.142 16.304 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.418 16.604 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.263 15.100 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.987 14.799 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.726 13.745 -0.032 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.018 14.141 -0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.544 12.668 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.242 12.508 -2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.565 10.531 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.537 11.368 -0.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.848 11.371 0.081 1.00 0.00 H new ATOM 419 N ASP A 26 3.431 19.518 -0.864 1.00 0.00 N ATOM 420 CA ASP A 26 3.333 20.783 -0.137 1.00 0.00 C ATOM 421 C ASP A 26 2.846 21.913 -1.050 1.00 0.00 C ATOM 422 O ASP A 26 1.960 22.681 -0.665 1.00 0.00 O ATOM 423 CB ASP A 26 4.685 21.151 0.483 1.00 0.00 C ATOM 424 CG ASP A 26 4.599 22.505 1.208 1.00 0.00 C ATOM 425 OD1 ASP A 26 4.034 22.557 2.328 1.00 0.00 O ATOM 426 OD2 ASP A 26 5.115 23.515 0.672 1.00 0.00 O ATOM 0 H ASP A 26 4.386 19.182 -0.991 1.00 0.00 H new ATOM 0 HA ASP A 26 2.601 20.653 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.992 20.376 1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.447 21.197 -0.295 1.00 0.00 H new ATOM 431 N ALA A 27 3.398 21.983 -2.270 1.00 0.00 N ATOM 432 CA ALA A 27 3.097 23.013 -3.255 1.00 0.00 C ATOM 433 C ALA A 27 2.183 22.523 -4.390 1.00 0.00 C ATOM 434 O ALA A 27 1.704 23.340 -5.178 1.00 0.00 O ATOM 435 CB ALA A 27 4.417 23.559 -3.819 1.00 0.00 C ATOM 0 H ALA A 27 4.083 21.303 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 27 2.541 23.803 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.205 24.332 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.010 23.984 -3.010 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.974 22.749 -4.290 1.00 0.00 H new ATOM 441 N MET A 28 1.951 21.206 -4.487 1.00 0.00 N ATOM 442 CA MET A 28 1.302 20.550 -5.622 1.00 0.00 C ATOM 443 C MET A 28 2.008 20.873 -6.951 1.00 0.00 C ATOM 444 O MET A 28 1.377 20.909 -8.010 1.00 0.00 O ATOM 445 CB MET A 28 -0.228 20.715 -5.620 1.00 0.00 C ATOM 446 CG MET A 28 -0.858 20.161 -4.333 1.00 0.00 C ATOM 447 SD MET A 28 -2.655 19.891 -4.414 1.00 0.00 S ATOM 448 CE MET A 28 -2.721 18.351 -5.377 1.00 0.00 C ATOM 0 H MET A 28 2.220 20.551 -3.753 1.00 0.00 H new ATOM 0 HA MET A 28 1.431 19.474 -5.501 1.00 0.00 H new ATOM 0 HB2 MET A 28 -0.480 21.770 -5.723 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.651 20.200 -6.483 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.374 19.216 -4.087 1.00 0.00 H new ATOM 0 HG3 MET A 28 -0.645 20.850 -3.516 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.760 18.052 -5.514 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.258 18.511 -6.351 1.00 0.00 H new ATOM 0 HE3 MET A 28 -2.184 17.566 -4.845 1.00 0.00 H new ATOM 458 N ASP A 29 3.328 21.103 -6.891 1.00 0.00 N ATOM 459 CA ASP A 29 4.178 21.201 -8.075 1.00 0.00 C ATOM 460 C ASP A 29 4.522 19.770 -8.479 1.00 0.00 C ATOM 461 O ASP A 29 4.588 18.885 -7.618 1.00 0.00 O ATOM 462 CB ASP A 29 5.445 22.029 -7.810 1.00 0.00 C ATOM 463 CG ASP A 29 6.080 22.590 -9.096 1.00 0.00 C ATOM 464 OD1 ASP A 29 5.847 22.061 -10.210 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.812 23.604 -8.984 1.00 0.00 O ATOM 0 H ASP A 29 3.833 21.226 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 29 3.655 21.721 -8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.199 22.855 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.176 21.408 -7.292 1.00 0.00 H new ATOM 470 N VAL A 30 4.739 19.508 -9.760 1.00 0.00 N ATOM 471 CA VAL A 30 5.012 18.174 -10.258 1.00 0.00 C ATOM 472 C VAL A 30 6.286 18.253 -11.090 1.00 0.00 C ATOM 473 O VAL A 30 6.354 18.938 -12.115 1.00 0.00 O ATOM 474 CB VAL A 30 3.787 17.608 -11.003 1.00 0.00 C ATOM 475 CG1 VAL A 30 4.055 16.177 -11.483 1.00 0.00 C ATOM 476 CG2 VAL A 30 2.512 17.595 -10.147 1.00 0.00 C ATOM 0 H VAL A 30 4.730 20.224 -10.486 1.00 0.00 H new ATOM 0 HA VAL A 30 5.185 17.462 -9.451 1.00 0.00 H new ATOM 0 HB VAL A 30 3.625 18.276 -11.849 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.177 15.798 -12.006 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.910 16.174 -12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.269 15.540 -10.625 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.687 17.185 -10.730 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.674 16.978 -9.263 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.269 18.612 -9.840 1.00 0.00 H new ATOM 486 N TRP A 31 7.298 17.526 -10.629 1.00 0.00 N ATOM 487 CA TRP A 31 8.566 17.342 -11.290 1.00 0.00 C ATOM 488 C TRP A 31 8.395 16.182 -12.278 1.00 0.00 C ATOM 489 O TRP A 31 8.076 15.071 -11.855 1.00 0.00 O ATOM 490 CB TRP A 31 9.633 17.012 -10.224 1.00 0.00 C ATOM 491 CG TRP A 31 9.565 17.751 -8.912 1.00 0.00 C ATOM 492 CD1 TRP A 31 9.051 17.278 -7.752 1.00 0.00 C ATOM 493 CD2 TRP A 31 10.069 19.078 -8.580 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.224 18.198 -6.745 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.864 19.328 -7.191 1.00 0.00 C ATOM 496 CE3 TRP A 31 10.698 20.094 -9.316 1.00 0.00 C ATOM 497 CZ2 TRP A 31 10.283 20.509 -6.559 1.00 0.00 C ATOM 498 CZ3 TRP A 31 11.144 21.277 -8.695 1.00 0.00 C ATOM 499 CH2 TRP A 31 10.938 21.489 -7.321 1.00 0.00 C ATOM 0 H TRP A 31 7.244 17.029 -9.740 1.00 0.00 H new ATOM 0 HA TRP A 31 8.884 18.236 -11.826 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.575 15.945 -10.011 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.614 17.197 -10.663 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.574 16.316 -7.635 1.00 0.00 H new ATOM 0 HE1 TRP A 31 8.914 18.058 -5.783 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.843 19.966 -10.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.105 20.661 -5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 11.650 22.030 -9.281 1.00 0.00 H new ATOM 0 HH2 TRP A 31 11.282 22.400 -6.854 1.00 0.00 H new ATOM 510 N CYS A 32 8.584 16.407 -13.576 1.00 0.00 N ATOM 511 CA CYS A 32 8.676 15.349 -14.575 1.00 0.00 C ATOM 512 C CYS A 32 10.125 15.339 -15.042 1.00 0.00 C ATOM 513 O CYS A 32 10.653 16.393 -15.388 1.00 0.00 O ATOM 514 CB CYS A 32 7.698 15.621 -15.724 1.00 0.00 C ATOM 515 SG CYS A 32 7.893 14.388 -17.048 1.00 0.00 S ATOM 0 H CYS A 32 8.679 17.344 -13.968 1.00 0.00 H new ATOM 0 HA CYS A 32 8.403 14.374 -14.171 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.675 15.599 -15.349 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.869 16.620 -16.124 1.00 0.00 H new ATOM 0 HG CYS A 32 7.209 14.758 -18.090 1.00 0.00 H new ATOM 521 N ASN A 33 10.778 14.173 -15.035 1.00 0.00 N ATOM 522 CA ASN A 33 12.188 14.025 -15.426 1.00 0.00 C ATOM 523 C ASN A 33 13.097 15.009 -14.657 1.00 0.00 C ATOM 524 O ASN A 33 14.051 15.560 -15.205 1.00 0.00 O ATOM 525 CB ASN A 33 12.300 14.107 -16.965 1.00 0.00 C ATOM 526 CG ASN A 33 13.655 13.656 -17.505 1.00 0.00 C ATOM 527 OD1 ASN A 33 14.483 14.469 -17.911 1.00 0.00 O ATOM 528 ND2 ASN A 33 13.903 12.351 -17.546 1.00 0.00 N ATOM 0 H ASN A 33 10.341 13.295 -14.755 1.00 0.00 H new ATOM 0 HA ASN A 33 12.558 13.041 -15.137 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.518 13.492 -17.411 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.117 15.134 -17.280 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.790 12.012 -17.918 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.206 11.689 -17.205 1.00 0.00 H new ATOM 535 N GLY A 34 12.758 15.281 -13.389 1.00 0.00 N ATOM 536 CA GLY A 34 13.495 16.199 -12.518 1.00 0.00 C ATOM 537 C GLY A 34 13.297 17.688 -12.838 1.00 0.00 C ATOM 538 O GLY A 34 14.040 18.518 -12.309 1.00 0.00 O ATOM 0 H GLY A 34 11.948 14.860 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.193 16.020 -11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.558 15.966 -12.584 1.00 0.00 H new ATOM 542 N LYS A 35 12.332 18.049 -13.694 1.00 0.00 N ATOM 543 CA LYS A 35 12.097 19.416 -14.183 1.00 0.00 C ATOM 544 C LYS A 35 10.647 19.788 -13.880 1.00 0.00 C ATOM 545 O LYS A 35 9.774 18.924 -13.962 1.00 0.00 O ATOM 546 CB LYS A 35 12.381 19.461 -15.699 1.00 0.00 C ATOM 547 CG LYS A 35 13.832 19.091 -16.062 1.00 0.00 C ATOM 548 CD LYS A 35 13.979 18.770 -17.559 1.00 0.00 C ATOM 549 CE LYS A 35 15.405 18.321 -17.929 1.00 0.00 C ATOM 550 NZ LYS A 35 15.767 16.985 -17.375 1.00 0.00 N ATOM 0 H LYS A 35 11.670 17.375 -14.079 1.00 0.00 H new ATOM 0 HA LYS A 35 12.756 20.131 -13.691 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.702 18.778 -16.209 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.165 20.462 -16.072 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.494 19.916 -15.800 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.146 18.230 -15.472 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.273 17.985 -17.830 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.716 19.651 -18.144 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.499 18.294 -19.015 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.117 19.062 -17.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.743 16.750 -17.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.691 17.007 -16.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.120 16.265 -17.754 1.00 0.00 H new ATOM 564 N LYS A 36 10.352 21.036 -13.506 1.00 0.00 N ATOM 565 CA LYS A 36 8.966 21.439 -13.251 1.00 0.00 C ATOM 566 C LYS A 36 8.216 21.460 -14.583 1.00 0.00 C ATOM 567 O LYS A 36 8.796 21.844 -15.604 1.00 0.00 O ATOM 568 CB LYS A 36 8.899 22.827 -12.593 1.00 0.00 C ATOM 569 CG LYS A 36 9.659 22.907 -11.257 1.00 0.00 C ATOM 570 CD LYS A 36 10.329 24.269 -11.049 1.00 0.00 C ATOM 571 CE LYS A 36 9.364 25.469 -11.024 1.00 0.00 C ATOM 572 NZ LYS A 36 8.585 25.559 -9.763 1.00 0.00 N ATOM 0 H LYS A 36 11.043 21.775 -13.374 1.00 0.00 H new ATOM 0 HA LYS A 36 8.509 20.726 -12.565 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.309 23.567 -13.280 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.855 23.091 -12.425 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.968 22.716 -10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.416 22.124 -11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.882 24.246 -10.110 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.058 24.424 -11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.933 26.389 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.676 25.393 -11.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.871 26.310 -9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.112 24.651 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.226 25.779 -8.974 1.00 0.00 H new ATOM 586 N LEU A 37 6.935 21.096 -14.571 1.00 0.00 N ATOM 587 CA LEU A 37 6.022 21.267 -15.694 1.00 0.00 C ATOM 588 C LEU A 37 4.807 22.092 -15.268 1.00 0.00 C ATOM 589 O LEU A 37 4.603 22.362 -14.081 1.00 0.00 O ATOM 590 CB LEU A 37 5.685 19.943 -16.390 1.00 0.00 C ATOM 591 CG LEU A 37 5.157 18.806 -15.512 1.00 0.00 C ATOM 592 CD1 LEU A 37 3.846 19.092 -14.788 1.00 0.00 C ATOM 593 CD2 LEU A 37 4.958 17.566 -16.387 1.00 0.00 C ATOM 0 H LEU A 37 6.495 20.664 -13.759 1.00 0.00 H new ATOM 0 HA LEU A 37 6.528 21.842 -16.470 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.943 20.146 -17.162 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.583 19.590 -16.897 1.00 0.00 H new ATOM 0 HG LEU A 37 5.906 18.666 -14.733 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.561 18.223 -14.195 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.973 19.953 -14.132 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.066 19.304 -15.519 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.582 16.746 -15.776 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.240 17.789 -17.176 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.910 17.279 -16.833 1.00 0.00 H new ATOM 605 N GLU A 38 4.036 22.542 -16.256 1.00 0.00 N ATOM 606 CA GLU A 38 2.858 23.369 -16.053 1.00 0.00 C ATOM 607 C GLU A 38 1.707 22.523 -15.504 1.00 0.00 C ATOM 608 O GLU A 38 1.545 21.366 -15.891 1.00 0.00 O ATOM 609 CB GLU A 38 2.470 24.086 -17.355 1.00 0.00 C ATOM 610 CG GLU A 38 2.067 23.135 -18.499 1.00 0.00 C ATOM 611 CD GLU A 38 1.849 23.906 -19.814 1.00 0.00 C ATOM 612 OE1 GLU A 38 0.725 24.415 -20.047 1.00 0.00 O ATOM 613 OE2 GLU A 38 2.797 23.996 -20.634 1.00 0.00 O ATOM 0 H GLU A 38 4.220 22.335 -17.238 1.00 0.00 H new ATOM 0 HA GLU A 38 3.086 24.138 -15.315 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.641 24.764 -17.151 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.309 24.699 -17.684 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.843 22.382 -18.640 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.154 22.605 -18.230 1.00 0.00 H new ATOM 620 N THR A 39 0.890 23.112 -14.634 1.00 0.00 N ATOM 621 CA THR A 39 -0.221 22.440 -13.966 1.00 0.00 C ATOM 622 C THR A 39 -1.423 23.384 -13.870 1.00 0.00 C ATOM 623 O THR A 39 -1.265 24.604 -13.752 1.00 0.00 O ATOM 624 CB THR A 39 0.205 21.917 -12.574 1.00 0.00 C ATOM 625 OG1 THR A 39 1.103 22.794 -11.901 1.00 0.00 O ATOM 626 CG2 THR A 39 0.877 20.541 -12.677 1.00 0.00 C ATOM 0 H THR A 39 0.985 24.092 -14.368 1.00 0.00 H new ATOM 0 HA THR A 39 -0.516 21.574 -14.558 1.00 0.00 H new ATOM 0 HB THR A 39 -0.718 21.850 -11.998 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.337 22.416 -11.028 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.165 20.201 -11.682 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.180 19.828 -13.117 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.764 20.616 -13.306 1.00 0.00 H new ATOM 634 N ALA A 40 -2.623 22.805 -13.890 1.00 0.00 N ATOM 635 CA ALA A 40 -3.888 23.469 -13.595 1.00 0.00 C ATOM 636 C ALA A 40 -4.601 22.565 -12.599 1.00 0.00 C ATOM 637 O ALA A 40 -4.555 21.347 -12.771 1.00 0.00 O ATOM 638 CB ALA A 40 -4.726 23.655 -14.866 1.00 0.00 C ATOM 0 H ALA A 40 -2.743 21.819 -14.122 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.729 24.468 -13.189 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.663 24.152 -14.615 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.172 24.264 -15.581 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.939 22.681 -15.307 1.00 0.00 H new ATOM 644 N GLY A 41 -5.237 23.124 -11.571 1.00 0.00 N ATOM 645 CA GLY A 41 -5.877 22.360 -10.512 1.00 0.00 C ATOM 646 C GLY A 41 -7.355 22.686 -10.570 1.00 0.00 C ATOM 647 O GLY A 41 -7.739 23.823 -10.283 1.00 0.00 O ATOM 0 H GLY A 41 -5.321 24.134 -11.452 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.711 21.292 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.461 22.623 -9.540 1.00 0.00 H new ATOM 651 N GLU A 42 -8.167 21.709 -10.964 1.00 0.00 N ATOM 652 CA GLU A 42 -9.611 21.837 -11.017 1.00 0.00 C ATOM 653 C GLU A 42 -10.248 20.973 -9.934 1.00 0.00 C ATOM 654 O GLU A 42 -9.748 19.895 -9.610 1.00 0.00 O ATOM 655 CB GLU A 42 -10.155 21.504 -12.417 1.00 0.00 C ATOM 656 CG GLU A 42 -10.100 22.752 -13.301 1.00 0.00 C ATOM 657 CD GLU A 42 -10.705 22.513 -14.698 1.00 0.00 C ATOM 658 OE1 GLU A 42 -11.955 22.445 -14.814 1.00 0.00 O ATOM 659 OE2 GLU A 42 -9.943 22.443 -15.695 1.00 0.00 O ATOM 0 H GLU A 42 -7.829 20.793 -11.259 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.878 22.876 -10.822 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.567 20.703 -12.865 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.181 21.144 -12.343 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.636 23.565 -12.811 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.064 23.072 -13.407 1.00 0.00 H new ATOM 666 N PHE A 43 -11.364 21.452 -9.389 1.00 0.00 N ATOM 667 CA PHE A 43 -12.121 20.744 -8.361 1.00 0.00 C ATOM 668 C PHE A 43 -13.289 20.017 -9.014 1.00 0.00 C ATOM 669 O PHE A 43 -13.918 20.540 -9.939 1.00 0.00 O ATOM 670 CB PHE A 43 -12.576 21.703 -7.256 1.00 0.00 C ATOM 671 CG PHE A 43 -11.433 22.316 -6.470 1.00 0.00 C ATOM 672 CD1 PHE A 43 -10.784 21.566 -5.468 1.00 0.00 C ATOM 673 CD2 PHE A 43 -11.001 23.629 -6.749 1.00 0.00 C ATOM 674 CE1 PHE A 43 -9.714 22.127 -4.750 1.00 0.00 C ATOM 675 CE2 PHE A 43 -9.927 24.185 -6.031 1.00 0.00 C ATOM 676 CZ PHE A 43 -9.283 23.435 -5.032 1.00 0.00 C ATOM 0 H PHE A 43 -11.771 22.350 -9.651 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.483 20.003 -7.879 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -13.168 22.502 -7.702 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -13.231 21.167 -6.569 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.109 20.559 -5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -11.495 24.208 -7.515 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.222 21.552 -3.980 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -9.597 25.190 -6.248 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.458 23.863 -4.482 1.00 0.00 H new ATOM 686 N VAL A 44 -13.594 18.819 -8.520 1.00 0.00 N ATOM 687 CA VAL A 44 -14.657 17.955 -8.993 1.00 0.00 C ATOM 688 C VAL A 44 -15.469 17.439 -7.807 1.00 0.00 C ATOM 689 O VAL A 44 -15.019 17.493 -6.659 1.00 0.00 O ATOM 690 CB VAL A 44 -14.070 16.795 -9.829 1.00 0.00 C ATOM 691 CG1 VAL A 44 -13.962 17.208 -11.295 1.00 0.00 C ATOM 692 CG2 VAL A 44 -12.731 16.244 -9.311 1.00 0.00 C ATOM 0 H VAL A 44 -13.077 18.411 -7.741 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.327 18.522 -9.640 1.00 0.00 H new ATOM 0 HB VAL A 44 -14.772 15.967 -9.726 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -13.547 16.384 -11.876 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.952 17.459 -11.676 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.309 18.077 -11.381 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.396 15.434 -9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -11.986 17.040 -9.310 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.861 15.867 -8.297 1.00 0.00 H new ATOM 702 N ASP A 45 -16.638 16.868 -8.099 1.00 0.00 N ATOM 703 CA ASP A 45 -17.519 16.208 -7.128 1.00 0.00 C ATOM 704 C ASP A 45 -16.979 14.808 -6.785 1.00 0.00 C ATOM 705 O ASP A 45 -17.653 13.783 -6.898 1.00 0.00 O ATOM 706 CB ASP A 45 -18.968 16.199 -7.630 1.00 0.00 C ATOM 707 CG ASP A 45 -19.943 15.606 -6.589 1.00 0.00 C ATOM 708 OD1 ASP A 45 -19.811 15.915 -5.378 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.886 14.876 -6.983 1.00 0.00 O ATOM 0 H ASP A 45 -17.012 16.850 -9.048 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.526 16.774 -6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -19.273 17.217 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -19.028 15.621 -8.552 1.00 0.00 H new ATOM 714 N ASP A 46 -15.686 14.776 -6.468 1.00 0.00 N ATOM 715 CA ASP A 46 -14.839 13.600 -6.298 1.00 0.00 C ATOM 716 C ASP A 46 -13.594 13.955 -5.469 1.00 0.00 C ATOM 717 O ASP A 46 -13.133 13.146 -4.661 1.00 0.00 O ATOM 718 CB ASP A 46 -14.409 13.112 -7.688 1.00 0.00 C ATOM 719 CG ASP A 46 -13.310 12.041 -7.616 1.00 0.00 C ATOM 720 OD1 ASP A 46 -13.653 10.834 -7.554 1.00 0.00 O ATOM 721 OD2 ASP A 46 -12.116 12.407 -7.696 1.00 0.00 O ATOM 0 H ASP A 46 -15.165 15.639 -6.312 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.392 12.820 -5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.275 12.707 -8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.050 13.959 -8.273 1.00 0.00 H new ATOM 726 N GLY A 47 -13.068 15.176 -5.622 1.00 0.00 N ATOM 727 CA GLY A 47 -11.808 15.601 -5.048 1.00 0.00 C ATOM 728 C GLY A 47 -11.232 16.694 -5.942 1.00 0.00 C ATOM 729 O GLY A 47 -11.958 17.616 -6.331 1.00 0.00 O ATOM 0 H GLY A 47 -13.528 15.907 -6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.957 15.975 -4.035 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.117 14.761 -4.979 1.00 0.00 H new ATOM 733 N THR A 48 -9.966 16.563 -6.326 1.00 0.00 N ATOM 734 CA THR A 48 -9.273 17.538 -7.153 1.00 0.00 C ATOM 735 C THR A 48 -8.577 16.774 -8.275 1.00 0.00 C ATOM 736 O THR A 48 -8.211 15.608 -8.105 1.00 0.00 O ATOM 737 CB THR A 48 -8.282 18.372 -6.310 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.794 18.626 -5.007 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.935 19.718 -6.956 1.00 0.00 C ATOM 0 H THR A 48 -9.387 15.764 -6.066 1.00 0.00 H new ATOM 0 HA THR A 48 -9.976 18.253 -7.581 1.00 0.00 H new ATOM 0 HB THR A 48 -7.377 17.768 -6.250 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.281 19.477 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.236 20.258 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.479 19.547 -7.931 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.844 20.307 -7.079 1.00 0.00 H new ATOM 747 N GLU A 49 -8.378 17.422 -9.416 1.00 0.00 N ATOM 748 CA GLU A 49 -7.635 16.897 -10.542 1.00 0.00 C ATOM 749 C GLU A 49 -6.608 17.955 -10.952 1.00 0.00 C ATOM 750 O GLU A 49 -6.969 19.076 -11.313 1.00 0.00 O ATOM 751 CB GLU A 49 -8.580 16.472 -11.680 1.00 0.00 C ATOM 752 CG GLU A 49 -9.353 15.201 -11.287 1.00 0.00 C ATOM 753 CD GLU A 49 -10.354 14.672 -12.336 1.00 0.00 C ATOM 754 OE1 GLU A 49 -10.616 15.325 -13.375 1.00 0.00 O ATOM 755 OE2 GLU A 49 -10.921 13.579 -12.080 1.00 0.00 O ATOM 0 H GLU A 49 -8.744 18.359 -9.583 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.101 15.986 -10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.280 17.278 -11.900 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.007 16.290 -12.589 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.632 14.413 -11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.895 15.400 -10.363 1.00 0.00 H new ATOM 762 N THR A 50 -5.320 17.613 -10.847 1.00 0.00 N ATOM 763 CA THR A 50 -4.218 18.457 -11.299 1.00 0.00 C ATOM 764 C THR A 50 -3.848 17.984 -12.700 1.00 0.00 C ATOM 765 O THR A 50 -3.263 16.912 -12.825 1.00 0.00 O ATOM 766 CB THR A 50 -3.049 18.378 -10.304 1.00 0.00 C ATOM 767 OG1 THR A 50 -3.426 18.974 -9.073 1.00 0.00 O ATOM 768 CG2 THR A 50 -1.775 19.060 -10.819 1.00 0.00 C ATOM 0 H THR A 50 -5.013 16.730 -10.440 1.00 0.00 H new ATOM 0 HA THR A 50 -4.496 19.510 -11.341 1.00 0.00 H new ATOM 0 HB THR A 50 -2.823 17.320 -10.171 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.679 18.920 -8.441 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.987 18.970 -10.072 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.454 18.581 -11.744 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.978 20.114 -11.008 1.00 0.00 H new ATOM 776 N HIS A 51 -4.207 18.733 -13.737 1.00 0.00 N ATOM 777 CA HIS A 51 -4.020 18.364 -15.134 1.00 0.00 C ATOM 778 C HIS A 51 -2.659 18.858 -15.627 1.00 0.00 C ATOM 779 O HIS A 51 -2.221 19.940 -15.221 1.00 0.00 O ATOM 780 CB HIS A 51 -5.147 18.965 -15.986 1.00 0.00 C ATOM 781 CG HIS A 51 -6.534 18.542 -15.571 1.00 0.00 C ATOM 782 ND1 HIS A 51 -7.219 17.434 -16.023 1.00 0.00 N ATOM 783 CD2 HIS A 51 -7.366 19.209 -14.707 1.00 0.00 C ATOM 784 CE1 HIS A 51 -8.429 17.429 -15.438 1.00 0.00 C ATOM 785 NE2 HIS A 51 -8.570 18.498 -14.633 1.00 0.00 N ATOM 0 H HIS A 51 -4.651 19.644 -13.623 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.051 17.278 -15.226 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.082 20.052 -15.938 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.990 18.682 -17.027 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.133 20.121 -14.178 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.184 16.672 -15.593 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.391 18.742 -14.079 1.00 0.00 H new ATOM 793 N PHE A 52 -2.016 18.096 -16.514 1.00 0.00 N ATOM 794 CA PHE A 52 -0.819 18.487 -17.262 1.00 0.00 C ATOM 795 C PHE A 52 -0.720 17.630 -18.534 1.00 0.00 C ATOM 796 O PHE A 52 -1.589 16.799 -18.797 1.00 0.00 O ATOM 797 CB PHE A 52 0.439 18.381 -16.378 1.00 0.00 C ATOM 798 CG PHE A 52 0.697 17.070 -15.662 1.00 0.00 C ATOM 799 CD1 PHE A 52 0.111 16.858 -14.399 1.00 0.00 C ATOM 800 CD2 PHE A 52 1.590 16.115 -16.188 1.00 0.00 C ATOM 801 CE1 PHE A 52 0.422 15.711 -13.658 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.902 14.965 -15.435 1.00 0.00 C ATOM 803 CZ PHE A 52 1.328 14.769 -14.169 1.00 0.00 C ATOM 0 H PHE A 52 -2.327 17.151 -16.740 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.893 19.532 -17.562 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.306 18.596 -17.003 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.386 19.168 -15.625 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.582 17.584 -14.000 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.033 16.263 -17.162 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.036 15.551 -12.693 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.586 14.231 -15.834 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.583 13.894 -13.589 1.00 0.00 H new ATOM 813 N SER A 53 0.338 17.814 -19.325 1.00 0.00 N ATOM 814 CA SER A 53 0.631 17.015 -20.508 1.00 0.00 C ATOM 815 C SER A 53 2.147 16.882 -20.640 1.00 0.00 C ATOM 816 O SER A 53 2.891 17.762 -20.196 1.00 0.00 O ATOM 817 CB SER A 53 0.050 17.642 -21.787 1.00 0.00 C ATOM 818 OG SER A 53 -1.347 17.884 -21.679 1.00 0.00 O ATOM 0 H SER A 53 1.031 18.543 -19.153 1.00 0.00 H new ATOM 0 HA SER A 53 0.165 16.037 -20.389 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.565 18.580 -21.996 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.238 16.980 -22.632 1.00 0.00 H new ATOM 0 HG SER A 53 -1.675 18.284 -22.511 1.00 0.00 H new ATOM 824 N ILE A 54 2.599 15.784 -21.242 1.00 0.00 N ATOM 825 CA ILE A 54 3.995 15.459 -21.497 1.00 0.00 C ATOM 826 C ILE A 54 4.004 15.025 -22.960 1.00 0.00 C ATOM 827 O ILE A 54 3.446 13.980 -23.302 1.00 0.00 O ATOM 828 CB ILE A 54 4.466 14.366 -20.505 1.00 0.00 C ATOM 829 CG1 ILE A 54 4.451 14.903 -19.054 1.00 0.00 C ATOM 830 CG2 ILE A 54 5.883 13.871 -20.851 1.00 0.00 C ATOM 831 CD1 ILE A 54 4.388 13.797 -18.001 1.00 0.00 C ATOM 0 H ILE A 54 1.965 15.061 -21.582 1.00 0.00 H new ATOM 0 HA ILE A 54 4.692 16.283 -21.343 1.00 0.00 H new ATOM 0 HB ILE A 54 3.772 13.529 -20.588 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.345 15.504 -18.887 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.594 15.565 -18.928 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.185 13.105 -20.137 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.886 13.451 -21.857 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.582 14.706 -20.804 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.380 14.242 -17.006 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.480 13.211 -18.143 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.258 13.149 -18.102 1.00 0.00 H new ATOM 843 N GLY A 55 4.571 15.856 -23.836 1.00 0.00 N ATOM 844 CA GLY A 55 4.454 15.661 -25.275 1.00 0.00 C ATOM 845 C GLY A 55 2.971 15.662 -25.657 1.00 0.00 C ATOM 846 O GLY A 55 2.215 16.538 -25.228 1.00 0.00 O ATOM 0 H GLY A 55 5.118 16.674 -23.568 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.981 16.453 -25.807 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.918 14.719 -25.567 1.00 0.00 H new ATOM 850 N ASN A 56 2.550 14.658 -26.429 1.00 0.00 N ATOM 851 CA ASN A 56 1.160 14.494 -26.856 1.00 0.00 C ATOM 852 C ASN A 56 0.266 13.911 -25.747 1.00 0.00 C ATOM 853 O ASN A 56 -0.961 13.980 -25.852 1.00 0.00 O ATOM 854 CB ASN A 56 1.137 13.588 -28.100 1.00 0.00 C ATOM 855 CG ASN A 56 -0.273 13.389 -28.659 1.00 0.00 C ATOM 856 OD1 ASN A 56 -0.857 12.314 -28.541 1.00 0.00 O ATOM 857 ND2 ASN A 56 -0.843 14.408 -29.294 1.00 0.00 N ATOM 0 H ASN A 56 3.171 13.929 -26.779 1.00 0.00 H new ATOM 0 HA ASN A 56 0.753 15.477 -27.091 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.772 14.022 -28.872 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.563 12.617 -27.846 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.777 14.304 -29.691 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.347 15.294 -29.384 1.00 0.00 H new ATOM 864 N HIS A 57 0.847 13.324 -24.695 1.00 0.00 N ATOM 865 CA HIS A 57 0.110 12.557 -23.697 1.00 0.00 C ATOM 866 C HIS A 57 -0.421 13.520 -22.638 1.00 0.00 C ATOM 867 O HIS A 57 0.375 14.191 -21.977 1.00 0.00 O ATOM 868 CB HIS A 57 1.019 11.488 -23.068 1.00 0.00 C ATOM 869 CG HIS A 57 1.760 10.644 -24.077 1.00 0.00 C ATOM 870 ND1 HIS A 57 1.234 9.636 -24.858 1.00 0.00 N ATOM 871 CD2 HIS A 57 3.085 10.761 -24.410 1.00 0.00 C ATOM 872 CE1 HIS A 57 2.224 9.154 -25.631 1.00 0.00 C ATOM 873 NE2 HIS A 57 3.376 9.813 -25.402 1.00 0.00 N ATOM 0 H HIS A 57 1.850 13.371 -24.515 1.00 0.00 H new ATOM 0 HA HIS A 57 -0.728 12.041 -24.165 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.743 11.978 -22.417 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.414 10.836 -22.438 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.785 11.463 -23.982 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.110 8.347 -26.340 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.275 9.655 -25.857 1.00 0.00 H new ATOM 881 N ASP A 58 -1.741 13.590 -22.449 1.00 0.00 N ATOM 882 CA ASP A 58 -2.321 14.328 -21.329 1.00 0.00 C ATOM 883 C ASP A 58 -2.376 13.433 -20.093 1.00 0.00 C ATOM 884 O ASP A 58 -2.527 12.208 -20.194 1.00 0.00 O ATOM 885 CB ASP A 58 -3.684 14.946 -21.644 1.00 0.00 C ATOM 886 CG ASP A 58 -4.845 13.978 -21.357 1.00 0.00 C ATOM 887 OD1 ASP A 58 -5.184 13.160 -22.246 1.00 0.00 O ATOM 888 OD2 ASP A 58 -5.441 14.054 -20.255 1.00 0.00 O ATOM 0 H ASP A 58 -2.427 13.144 -23.058 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.666 15.176 -21.128 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.815 15.852 -21.053 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.712 15.243 -22.692 1.00 0.00 H new ATOM 893 N CYS A 59 -2.223 14.058 -18.931 1.00 0.00 N ATOM 894 CA CYS A 59 -2.095 13.419 -17.637 1.00 0.00 C ATOM 895 C CYS A 59 -2.888 14.219 -16.610 1.00 0.00 C ATOM 896 O CYS A 59 -3.034 15.435 -16.749 1.00 0.00 O ATOM 897 CB CYS A 59 -0.632 13.415 -17.170 1.00 0.00 C ATOM 898 SG CYS A 59 0.543 13.071 -18.513 1.00 0.00 S ATOM 0 H CYS A 59 -2.184 15.075 -18.869 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.460 12.396 -17.727 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.395 14.382 -16.727 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -0.509 12.667 -16.387 1.00 0.00 H new ATOM 0 HG CYS A 59 1.487 12.292 -18.075 1.00 0.00 H new ATOM 904 N TYR A 60 -3.359 13.577 -15.546 1.00 0.00 N ATOM 905 CA TYR A 60 -3.897 14.302 -14.418 1.00 0.00 C ATOM 906 C TYR A 60 -3.626 13.525 -13.147 1.00 0.00 C ATOM 907 O TYR A 60 -3.719 12.301 -13.142 1.00 0.00 O ATOM 908 CB TYR A 60 -5.375 14.665 -14.623 1.00 0.00 C ATOM 909 CG TYR A 60 -6.404 13.544 -14.617 1.00 0.00 C ATOM 910 CD1 TYR A 60 -6.752 12.901 -13.416 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.074 13.202 -15.807 1.00 0.00 C ATOM 912 CE1 TYR A 60 -7.751 11.913 -13.403 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.130 12.268 -15.788 1.00 0.00 C ATOM 914 CZ TYR A 60 -8.477 11.621 -14.577 1.00 0.00 C ATOM 915 OH TYR A 60 -9.472 10.688 -14.528 1.00 0.00 O ATOM 0 H TYR A 60 -3.376 12.562 -15.448 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.390 15.262 -14.326 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.653 15.375 -13.844 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.459 15.188 -15.576 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.249 13.168 -12.498 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.777 13.658 -16.740 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.964 11.375 -12.491 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -8.673 12.046 -16.695 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.880 10.598 -15.414 1.00 0.00 H new ATOM 925 N ILE A 61 -3.294 14.209 -12.056 1.00 0.00 N ATOM 926 CA ILE A 61 -3.241 13.575 -10.748 1.00 0.00 C ATOM 927 C ILE A 61 -4.650 13.710 -10.197 1.00 0.00 C ATOM 928 O ILE A 61 -5.129 14.828 -10.022 1.00 0.00 O ATOM 929 CB ILE A 61 -2.154 14.188 -9.847 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.756 13.857 -10.411 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.268 13.667 -8.400 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.306 14.851 -9.932 1.00 0.00 C ATOM 0 H ILE A 61 -3.058 15.201 -12.054 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.948 12.527 -10.804 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.297 15.269 -9.833 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.472 12.849 -10.108 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.794 13.864 -11.500 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.487 14.118 -7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.245 13.931 -7.994 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.153 12.583 -8.393 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.274 14.580 -10.353 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.037 15.856 -10.258 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.364 14.826 -8.844 1.00 0.00 H new ATOM 944 N LYS A 62 -5.316 12.586 -9.951 1.00 0.00 N ATOM 945 CA LYS A 62 -6.575 12.530 -9.229 1.00 0.00 C ATOM 946 C LYS A 62 -6.187 12.569 -7.763 1.00 0.00 C ATOM 947 O LYS A 62 -5.339 11.783 -7.346 1.00 0.00 O ATOM 948 CB LYS A 62 -7.322 11.228 -9.597 1.00 0.00 C ATOM 949 CG LYS A 62 -8.840 11.420 -9.710 1.00 0.00 C ATOM 950 CD LYS A 62 -9.512 10.106 -10.141 1.00 0.00 C ATOM 951 CE LYS A 62 -11.039 10.242 -10.273 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.463 10.942 -11.518 1.00 0.00 N ATOM 0 H LYS A 62 -4.985 11.671 -10.256 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.249 13.351 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.937 10.850 -10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.112 10.470 -8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.245 11.746 -8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.062 12.204 -10.434 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.095 9.784 -11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.281 9.328 -9.414 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.488 9.249 -10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.424 10.785 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.491 10.839 -11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.222 11.951 -11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -10.973 10.525 -12.335 1.00 0.00 H new ATOM 966 N ALA A 63 -6.777 13.472 -6.999 1.00 0.00 N ATOM 967 CA ALA A 63 -6.575 13.600 -5.575 1.00 0.00 C ATOM 968 C ALA A 63 -7.960 13.454 -4.962 1.00 0.00 C ATOM 969 O ALA A 63 -8.714 14.421 -4.876 1.00 0.00 O ATOM 970 CB ALA A 63 -5.917 14.948 -5.284 1.00 0.00 C ATOM 0 H ALA A 63 -7.433 14.159 -7.372 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.908 12.849 -5.152 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.761 15.052 -4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.957 15.003 -5.797 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.563 15.752 -5.637 1.00 0.00 H new ATOM 976 N VAL A 64 -8.326 12.226 -4.626 1.00 0.00 N ATOM 977 CA VAL A 64 -9.676 11.857 -4.230 1.00 0.00 C ATOM 978 C VAL A 64 -9.816 12.072 -2.730 1.00 0.00 C ATOM 979 O VAL A 64 -9.069 11.451 -1.976 1.00 0.00 O ATOM 980 CB VAL A 64 -9.981 10.381 -4.585 1.00 0.00 C ATOM 981 CG1 VAL A 64 -11.493 10.166 -4.680 1.00 0.00 C ATOM 982 CG2 VAL A 64 -9.330 9.914 -5.899 1.00 0.00 C ATOM 0 H VAL A 64 -7.676 11.440 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.389 12.480 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.550 9.785 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.697 9.125 -4.930 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.956 10.407 -3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.905 10.813 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.588 8.871 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.693 10.528 -6.723 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.247 10.012 -5.824 1.00 0.00 H new ATOM 992 N SER A 65 -10.746 12.905 -2.274 1.00 0.00 N ATOM 993 CA SER A 65 -11.049 13.022 -0.855 1.00 0.00 C ATOM 994 C SER A 65 -11.857 11.781 -0.450 1.00 0.00 C ATOM 995 O SER A 65 -13.000 11.615 -0.892 1.00 0.00 O ATOM 996 CB SER A 65 -11.791 14.336 -0.582 1.00 0.00 C ATOM 997 OG SER A 65 -11.128 15.428 -1.214 1.00 0.00 O ATOM 0 H SER A 65 -11.305 13.512 -2.873 1.00 0.00 H new ATOM 0 HA SER A 65 -10.142 13.058 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.815 14.264 -0.948 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.848 14.511 0.492 1.00 0.00 H new ATOM 0 HG SER A 65 -11.616 16.258 -1.030 1.00 0.00 H new ATOM 1003 N SER A 66 -11.264 10.907 0.367 1.00 0.00 N ATOM 1004 CA SER A 66 -11.786 9.580 0.679 1.00 0.00 C ATOM 1005 C SER A 66 -11.488 9.218 2.144 1.00 0.00 C ATOM 1006 O SER A 66 -10.854 9.987 2.876 1.00 0.00 O ATOM 1007 CB SER A 66 -11.141 8.584 -0.303 1.00 0.00 C ATOM 1008 OG SER A 66 -11.545 8.825 -1.644 1.00 0.00 O ATOM 0 H SER A 66 -10.384 11.111 0.841 1.00 0.00 H new ATOM 0 HA SER A 66 -12.870 9.550 0.566 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.056 8.656 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.412 7.567 -0.019 1.00 0.00 H new ATOM 0 HG SER A 66 -11.114 8.175 -2.237 1.00 0.00 H new ATOM 1014 N GLY A 67 -11.938 8.037 2.578 1.00 0.00 N ATOM 1015 CA GLY A 67 -11.687 7.522 3.919 1.00 0.00 C ATOM 1016 C GLY A 67 -12.696 8.053 4.940 1.00 0.00 C ATOM 1017 O GLY A 67 -13.818 8.435 4.590 1.00 0.00 O ATOM 0 H GLY A 67 -12.493 7.408 1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.729 6.433 3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.679 7.797 4.230 1.00 0.00 H new ATOM 1021 N LYS A 68 -12.297 8.038 6.218 1.00 0.00 N ATOM 1022 CA LYS A 68 -13.103 8.535 7.341 1.00 0.00 C ATOM 1023 C LYS A 68 -13.154 10.068 7.297 1.00 0.00 C ATOM 1024 O LYS A 68 -12.498 10.695 6.469 1.00 0.00 O ATOM 1025 CB LYS A 68 -12.532 7.985 8.673 1.00 0.00 C ATOM 1026 CG LYS A 68 -12.974 6.550 9.015 1.00 0.00 C ATOM 1027 CD LYS A 68 -12.485 5.468 8.037 1.00 0.00 C ATOM 1028 CE LYS A 68 -12.739 4.041 8.554 1.00 0.00 C ATOM 1029 NZ LYS A 68 -14.183 3.680 8.620 1.00 0.00 N ATOM 0 H LYS A 68 -11.389 7.674 6.506 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.130 8.179 7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.443 8.015 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.834 8.648 9.484 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.615 6.304 10.014 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.063 6.520 9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.987 5.597 7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.418 5.601 7.859 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -12.225 3.332 7.906 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.302 3.940 9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -14.282 2.708 8.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.676 4.335 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.601 3.745 7.670 1.00 0.00 H new ATOM 1043 N ARG A 69 -13.880 10.696 8.232 1.00 0.00 N ATOM 1044 CA ARG A 69 -14.099 12.156 8.268 1.00 0.00 C ATOM 1045 C ARG A 69 -12.807 12.977 8.408 1.00 0.00 C ATOM 1046 O ARG A 69 -12.824 14.171 8.109 1.00 0.00 O ATOM 1047 CB ARG A 69 -15.083 12.513 9.402 1.00 0.00 C ATOM 1048 CG ARG A 69 -16.487 11.892 9.283 1.00 0.00 C ATOM 1049 CD ARG A 69 -17.246 12.334 8.025 1.00 0.00 C ATOM 1050 NE ARG A 69 -18.620 11.798 8.010 1.00 0.00 N ATOM 1051 CZ ARG A 69 -19.553 12.043 7.078 1.00 0.00 C ATOM 1052 NH1 ARG A 69 -19.288 12.835 6.040 1.00 0.00 N ATOM 1053 NH2 ARG A 69 -20.758 11.490 7.188 1.00 0.00 N ATOM 0 H ARG A 69 -14.340 10.201 8.997 1.00 0.00 H new ATOM 0 HA ARG A 69 -14.523 12.425 7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -14.646 12.200 10.350 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -15.187 13.597 9.441 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -16.396 10.806 9.280 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -17.071 12.161 10.163 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -17.278 13.423 7.981 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -16.712 11.995 7.138 1.00 0.00 H new ATOM 0 HE ARG A 69 -18.885 11.184 8.780 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -18.367 13.263 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -20.006 13.013 5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -20.970 10.882 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -21.470 11.674 6.481 1.00 0.00 H new ATOM 1067 N LYS A 70 -11.683 12.368 8.810 1.00 0.00 N ATOM 1068 CA LYS A 70 -10.366 13.018 8.775 1.00 0.00 C ATOM 1069 C LYS A 70 -9.929 13.379 7.346 1.00 0.00 C ATOM 1070 O LYS A 70 -9.120 14.292 7.182 1.00 0.00 O ATOM 1071 CB LYS A 70 -9.332 12.129 9.490 1.00 0.00 C ATOM 1072 CG LYS A 70 -8.950 10.827 8.752 1.00 0.00 C ATOM 1073 CD LYS A 70 -7.628 10.954 7.969 1.00 0.00 C ATOM 1074 CE LYS A 70 -7.184 9.637 7.306 1.00 0.00 C ATOM 1075 NZ LYS A 70 -6.677 8.629 8.283 1.00 0.00 N ATOM 0 H LYS A 70 -11.661 11.413 9.168 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.438 13.966 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.426 12.713 9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.722 11.867 10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.863 10.016 9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.751 10.556 8.064 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -7.741 11.719 7.201 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.844 11.294 8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.025 9.212 6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.403 9.850 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.394 7.766 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.856 9.018 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.427 8.399 8.966 1.00 0.00 H new ATOM 1089 N GLU A 71 -10.472 12.669 6.351 1.00 0.00 N ATOM 1090 CA GLU A 71 -10.177 12.693 4.926 1.00 0.00 C ATOM 1091 C GLU A 71 -8.715 12.371 4.611 1.00 0.00 C ATOM 1092 O GLU A 71 -7.814 13.193 4.784 1.00 0.00 O ATOM 1093 CB GLU A 71 -10.681 13.975 4.236 1.00 0.00 C ATOM 1094 CG GLU A 71 -12.207 14.115 4.332 1.00 0.00 C ATOM 1095 CD GLU A 71 -12.723 15.366 3.597 1.00 0.00 C ATOM 1096 OE1 GLU A 71 -12.460 16.505 4.058 1.00 0.00 O ATOM 1097 OE2 GLU A 71 -13.418 15.220 2.562 1.00 0.00 O ATOM 0 H GLU A 71 -11.208 11.992 6.554 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.751 11.877 4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.207 14.844 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.383 13.964 3.188 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.679 13.227 3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.500 14.165 5.381 1.00 0.00 H new ATOM 1104 N GLY A 72 -8.484 11.146 4.129 1.00 0.00 N ATOM 1105 CA GLY A 72 -7.210 10.722 3.565 1.00 0.00 C ATOM 1106 C GLY A 72 -7.331 10.902 2.057 1.00 0.00 C ATOM 1107 O GLY A 72 -8.125 10.205 1.422 1.00 0.00 O ATOM 0 H GLY A 72 -9.193 10.413 4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.390 11.319 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.999 9.683 3.817 1.00 0.00 H new ATOM 1111 N ILE A 73 -6.609 11.866 1.482 1.00 0.00 N ATOM 1112 CA ILE A 73 -6.719 12.152 0.057 1.00 0.00 C ATOM 1113 C ILE A 73 -5.895 11.075 -0.665 1.00 0.00 C ATOM 1114 O ILE A 73 -4.706 10.909 -0.374 1.00 0.00 O ATOM 1115 CB ILE A 73 -6.307 13.608 -0.268 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -7.324 14.673 0.205 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -6.190 13.814 -1.786 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -7.560 14.760 1.712 1.00 0.00 C ATOM 0 H ILE A 73 -5.945 12.458 1.982 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.750 12.101 -0.293 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.362 13.740 0.259 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.986 15.648 -0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.279 14.473 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.899 14.844 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.436 13.137 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.151 13.607 -2.256 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.291 15.541 1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.935 13.804 2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.622 14.997 2.214 1.00 0.00 H new ATOM 1130 N ILE A 74 -6.509 10.351 -1.604 1.00 0.00 N ATOM 1131 CA ILE A 74 -5.851 9.307 -2.376 1.00 0.00 C ATOM 1132 C ILE A 74 -5.284 9.999 -3.609 1.00 0.00 C ATOM 1133 O ILE A 74 -6.055 10.505 -4.423 1.00 0.00 O ATOM 1134 CB ILE A 74 -6.842 8.166 -2.704 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -7.450 7.543 -1.427 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -6.196 7.085 -3.588 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -6.469 6.846 -0.476 1.00 0.00 C ATOM 0 H ILE A 74 -7.491 10.479 -1.849 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.044 8.822 -1.826 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.657 8.616 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.962 8.330 -0.873 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.208 6.819 -1.727 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.925 6.302 -3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.866 7.531 -4.526 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.339 6.655 -3.069 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.013 6.450 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.973 6.029 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.723 7.563 -0.133 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.957 10.046 -3.744 1.00 0.00 N ATOM 1150 CA HIS A 75 -3.305 10.615 -4.915 1.00 0.00 C ATOM 1151 C HIS A 75 -3.032 9.484 -5.907 1.00 0.00 C ATOM 1152 O HIS A 75 -2.362 8.509 -5.560 1.00 0.00 O ATOM 1153 CB HIS A 75 -2.030 11.369 -4.508 1.00 0.00 C ATOM 1154 CG HIS A 75 -2.309 12.625 -3.719 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -2.532 12.716 -2.361 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -2.411 13.893 -4.226 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -2.755 14.009 -2.063 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -2.694 14.768 -3.171 1.00 0.00 N ATOM 0 H HIS A 75 -3.308 9.690 -3.042 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.949 11.350 -5.398 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.398 10.708 -3.915 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.467 11.628 -5.405 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.293 14.170 -5.263 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.955 14.385 -1.071 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.827 15.778 -3.231 1.00 0.00 H new ATOM 1166 N THR A 76 -3.506 9.635 -7.144 1.00 0.00 N ATOM 1167 CA THR A 76 -3.275 8.697 -8.240 1.00 0.00 C ATOM 1168 C THR A 76 -2.857 9.499 -9.458 1.00 0.00 C ATOM 1169 O THR A 76 -3.418 10.565 -9.681 1.00 0.00 O ATOM 1170 CB THR A 76 -4.551 7.895 -8.561 1.00 0.00 C ATOM 1171 OG1 THR A 76 -5.257 7.523 -7.383 1.00 0.00 O ATOM 1172 CG2 THR A 76 -4.207 6.627 -9.340 1.00 0.00 C ATOM 0 H THR A 76 -4.076 10.435 -7.417 1.00 0.00 H new ATOM 0 HA THR A 76 -2.499 7.987 -7.955 1.00 0.00 H new ATOM 0 HB THR A 76 -5.186 8.546 -9.161 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.060 7.018 -7.629 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.121 6.074 -9.557 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.715 6.896 -10.275 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.539 6.004 -8.745 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.926 9.003 -10.271 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.641 9.607 -11.562 1.00 0.00 C ATOM 1182 C LEU A 77 -2.472 8.865 -12.592 1.00 0.00 C ATOM 1183 O LEU A 77 -2.463 7.640 -12.625 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.141 9.544 -11.854 1.00 0.00 C ATOM 1185 CG LEU A 77 0.245 10.024 -13.261 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.045 11.513 -13.458 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.735 9.774 -13.486 1.00 0.00 C ATOM 0 H LEU A 77 -1.358 8.184 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.906 10.664 -11.583 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.387 10.150 -11.118 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.200 8.517 -11.726 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.355 9.466 -13.980 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.243 11.809 -14.467 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.110 11.698 -13.316 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.525 12.094 -12.732 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.014 10.113 -14.484 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.312 10.322 -12.742 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.943 8.708 -13.394 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.189 9.598 -13.425 1.00 0.00 N ATOM 1200 CA ILE A 78 -3.875 9.105 -14.595 1.00 0.00 C ATOM 1201 C ILE A 78 -3.113 9.670 -15.800 1.00 0.00 C ATOM 1202 O ILE A 78 -2.685 10.826 -15.768 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.366 9.512 -14.542 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.245 8.529 -13.737 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -5.976 9.659 -15.943 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -5.866 8.417 -12.262 1.00 0.00 C ATOM 0 H ILE A 78 -3.312 10.602 -13.293 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.884 8.017 -14.661 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.363 10.475 -14.032 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.286 8.845 -13.811 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.179 7.542 -14.194 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.024 9.946 -15.855 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.435 10.426 -16.497 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.903 8.709 -16.473 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.530 7.708 -11.768 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.836 8.070 -12.176 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.960 9.393 -11.787 1.00 0.00 H new ATOM 1218 N VAL A 79 -2.964 8.889 -16.869 1.00 0.00 N ATOM 1219 CA VAL A 79 -2.387 9.311 -18.136 1.00 0.00 C ATOM 1220 C VAL A 79 -3.228 8.689 -19.242 1.00 0.00 C ATOM 1221 O VAL A 79 -3.534 7.501 -19.170 1.00 0.00 O ATOM 1222 CB VAL A 79 -0.908 8.896 -18.232 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -0.245 9.399 -19.521 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -0.119 9.416 -17.025 1.00 0.00 C ATOM 0 H VAL A 79 -3.253 7.911 -16.872 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.400 10.397 -18.228 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.892 7.806 -18.243 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.797 9.081 -19.542 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.768 8.987 -20.384 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.293 10.487 -19.554 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.924 9.111 -17.113 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.178 10.504 -16.993 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.541 9.003 -16.109 1.00 0.00 H new ATOM 1234 N ASP A 80 -3.624 9.477 -20.244 1.00 0.00 N ATOM 1235 CA ASP A 80 -4.513 9.045 -21.333 1.00 0.00 C ATOM 1236 C ASP A 80 -5.775 8.336 -20.803 1.00 0.00 C ATOM 1237 O ASP A 80 -6.248 7.344 -21.356 1.00 0.00 O ATOM 1238 CB ASP A 80 -3.732 8.237 -22.385 1.00 0.00 C ATOM 1239 CG ASP A 80 -4.577 7.933 -23.637 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -5.287 8.837 -24.141 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -4.482 6.798 -24.166 1.00 0.00 O ATOM 0 H ASP A 80 -3.333 10.451 -20.326 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.888 9.930 -21.846 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.841 8.792 -22.677 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.393 7.300 -21.942 1.00 0.00 H new ATOM 1246 N ASN A 81 -6.301 8.833 -19.674 1.00 0.00 N ATOM 1247 CA ASN A 81 -7.429 8.281 -18.912 1.00 0.00 C ATOM 1248 C ASN A 81 -7.206 6.871 -18.319 1.00 0.00 C ATOM 1249 O ASN A 81 -8.151 6.263 -17.809 1.00 0.00 O ATOM 1250 CB ASN A 81 -8.748 8.407 -19.703 1.00 0.00 C ATOM 1251 CG ASN A 81 -9.989 8.310 -18.811 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -10.011 8.807 -17.686 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.067 7.714 -19.301 1.00 0.00 N ATOM 0 H ASN A 81 -5.929 9.680 -19.244 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.508 8.906 -18.022 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -8.760 9.361 -20.231 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.788 7.623 -20.460 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.920 7.666 -18.745 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.043 7.304 -20.235 1.00 0.00 H new ATOM 1260 N ARG A 82 -5.980 6.333 -18.344 1.00 0.00 N ATOM 1261 CA ARG A 82 -5.589 5.099 -17.675 1.00 0.00 C ATOM 1262 C ARG A 82 -4.951 5.423 -16.339 1.00 0.00 C ATOM 1263 O ARG A 82 -4.329 6.470 -16.189 1.00 0.00 O ATOM 1264 CB ARG A 82 -4.608 4.298 -18.548 1.00 0.00 C ATOM 1265 CG ARG A 82 -5.332 3.539 -19.657 1.00 0.00 C ATOM 1266 CD ARG A 82 -5.832 4.394 -20.823 1.00 0.00 C ATOM 1267 NE ARG A 82 -6.399 3.572 -21.904 1.00 0.00 N ATOM 1268 CZ ARG A 82 -7.077 4.049 -22.959 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -7.263 5.360 -23.108 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -7.574 3.206 -23.861 1.00 0.00 N ATOM 0 H ARG A 82 -5.209 6.766 -18.852 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.479 4.491 -17.512 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.876 4.975 -18.988 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.057 3.594 -17.925 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.659 2.777 -20.051 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.184 3.018 -19.220 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.588 5.092 -20.463 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.008 4.991 -21.215 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.266 2.562 -21.847 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.889 6.010 -22.417 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.780 5.714 -23.913 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.439 2.201 -23.749 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.090 3.565 -24.664 1.00 0.00 H new ATOM 1284 N GLU A 83 -5.086 4.517 -15.380 1.00 0.00 N ATOM 1285 CA GLU A 83 -4.579 4.676 -14.026 1.00 0.00 C ATOM 1286 C GLU A 83 -3.132 4.170 -13.938 1.00 0.00 C ATOM 1287 O GLU A 83 -2.818 3.105 -14.478 1.00 0.00 O ATOM 1288 CB GLU A 83 -5.540 3.967 -13.063 1.00 0.00 C ATOM 1289 CG GLU A 83 -5.014 3.910 -11.628 1.00 0.00 C ATOM 1290 CD GLU A 83 -6.054 3.297 -10.670 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -7.026 3.992 -10.287 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -5.908 2.109 -10.292 1.00 0.00 O ATOM 0 H GLU A 83 -5.564 3.628 -15.527 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.541 5.727 -13.739 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.500 4.482 -13.072 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.719 2.952 -13.419 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.098 3.320 -11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.757 4.915 -11.293 1.00 0.00 H new ATOM 1299 N ILE A 84 -2.271 4.916 -13.238 1.00 0.00 N ATOM 1300 CA ILE A 84 -0.847 4.650 -13.070 1.00 0.00 C ATOM 1301 C ILE A 84 -0.574 4.453 -11.562 1.00 0.00 C ATOM 1302 O ILE A 84 -0.792 5.391 -10.789 1.00 0.00 O ATOM 1303 CB ILE A 84 -0.012 5.807 -13.679 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.404 6.182 -15.123 1.00 0.00 C ATOM 1305 CG2 ILE A 84 1.492 5.493 -13.595 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -0.314 5.068 -16.167 1.00 0.00 C ATOM 0 H ILE A 84 -2.567 5.762 -12.751 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.551 3.744 -13.600 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.241 6.683 -13.073 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.427 6.557 -15.112 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.233 7.005 -15.447 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.060 6.317 -14.027 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.779 5.363 -12.552 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.704 4.577 -14.147 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.615 5.456 -17.140 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.712 4.704 -16.223 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.975 4.249 -15.883 1.00 0.00 H new ATOM 1318 N PRO A 85 -0.086 3.277 -11.119 1.00 0.00 N ATOM 1319 CA PRO A 85 0.271 3.022 -9.721 1.00 0.00 C ATOM 1320 C PRO A 85 1.496 3.834 -9.274 1.00 0.00 C ATOM 1321 O PRO A 85 2.455 3.984 -10.038 1.00 0.00 O ATOM 1322 CB PRO A 85 0.550 1.516 -9.619 1.00 0.00 C ATOM 1323 CG PRO A 85 -0.146 0.924 -10.842 1.00 0.00 C ATOM 1324 CD PRO A 85 -0.023 2.037 -11.877 1.00 0.00 C ATOM 0 HA PRO A 85 -0.541 3.329 -9.062 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.620 1.307 -9.629 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.153 1.099 -8.694 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.337 0.006 -11.177 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.188 0.679 -10.635 1.00 0.00 H new ATOM 0 HD2 PRO A 85 0.915 1.960 -12.427 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.828 1.983 -12.610 1.00 0.00 H new ATOM 1332 N GLU A 86 1.483 4.336 -8.032 1.00 0.00 N ATOM 1333 CA GLU A 86 2.624 5.027 -7.435 1.00 0.00 C ATOM 1334 C GLU A 86 3.764 4.040 -7.148 1.00 0.00 C ATOM 1335 O GLU A 86 3.566 2.820 -7.094 1.00 0.00 O ATOM 1336 CB GLU A 86 2.201 5.836 -6.195 1.00 0.00 C ATOM 1337 CG GLU A 86 2.154 5.012 -4.903 1.00 0.00 C ATOM 1338 CD GLU A 86 1.670 5.844 -3.699 1.00 0.00 C ATOM 1339 OE1 GLU A 86 0.499 6.299 -3.702 1.00 0.00 O ATOM 1340 OE2 GLU A 86 2.455 6.042 -2.743 1.00 0.00 O ATOM 0 H GLU A 86 0.675 4.272 -7.413 1.00 0.00 H new ATOM 0 HA GLU A 86 3.008 5.752 -8.152 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.895 6.666 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.217 6.269 -6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.491 4.158 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.146 4.614 -4.692 1.00 0.00 H new ATOM 1347 N ILE A 87 4.949 4.594 -6.908 1.00 0.00 N ATOM 1348 CA ILE A 87 6.151 3.933 -6.472 1.00 0.00 C ATOM 1349 C ILE A 87 6.765 4.756 -5.333 1.00 0.00 C ATOM 1350 O ILE A 87 6.477 5.950 -5.195 1.00 0.00 O ATOM 1351 CB ILE A 87 7.122 3.789 -7.658 1.00 0.00 C ATOM 1352 CG1 ILE A 87 7.434 5.107 -8.397 1.00 0.00 C ATOM 1353 CG2 ILE A 87 6.615 2.718 -8.635 1.00 0.00 C ATOM 1354 CD1 ILE A 87 8.592 4.973 -9.401 1.00 0.00 C ATOM 0 H ILE A 87 5.093 5.597 -7.026 1.00 0.00 H new ATOM 0 HA ILE A 87 5.933 2.930 -6.105 1.00 0.00 H new ATOM 0 HB ILE A 87 8.072 3.475 -7.226 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.541 5.442 -8.924 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.681 5.877 -7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.311 2.627 -9.469 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.540 1.761 -8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.633 3.005 -9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.764 5.933 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.496 4.667 -8.875 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.338 4.225 -10.152 1.00 0.00 H new ATOM 1366 N ALA A 88 7.636 4.114 -4.551 1.00 0.00 N ATOM 1367 CA ALA A 88 8.353 4.727 -3.432 1.00 0.00 C ATOM 1368 C ALA A 88 9.878 4.625 -3.583 1.00 0.00 C ATOM 1369 O ALA A 88 10.625 4.655 -2.599 1.00 0.00 O ATOM 1370 CB ALA A 88 7.851 4.131 -2.117 1.00 0.00 C ATOM 0 H ALA A 88 7.867 3.129 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 88 8.140 5.796 -3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 88 8.385 4.587 -1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.783 4.325 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.026 3.055 -2.115 1.00 0.00 H new ATOM 1376 N SER A 89 10.318 4.470 -4.827 1.00 0.00 N ATOM 1377 CA SER A 89 11.721 4.399 -5.214 1.00 0.00 C ATOM 1378 C SER A 89 12.413 5.729 -4.898 1.00 0.00 C ATOM 1379 O SER A 89 11.796 6.796 -5.130 1.00 0.00 O ATOM 1380 CB SER A 89 11.840 4.057 -6.703 1.00 0.00 C ATOM 1381 OG SER A 89 10.994 2.955 -7.039 1.00 0.00 O ATOM 1382 OXT SER A 89 13.575 5.703 -4.430 1.00 0.00 O ATOM 0 H SER A 89 9.684 4.387 -5.622 1.00 0.00 H new ATOM 0 HA SER A 89 12.214 3.610 -4.646 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.569 4.926 -7.303 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.875 3.814 -6.943 1.00 0.00 H new ATOM 0 HG SER A 89 11.083 2.753 -7.994 1.00 0.00 H new TER 1388 SER A 89