USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 895 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 111 GLN : amide:sc= -1.14 X(o=-2,f=-2.2) USER MOD Set 1.2: A 113 HIS : no HE2:sc= -0.852 X(o=-2,f=-2.2!) USER MOD Set 2.1: A 70 THR OG1 : rot 180:sc= -0.607 USER MOD Set 2.2: A 77 GLN : amide:sc= -3.73! K(o=-4.3!,f=-1.7) USER MOD Set 3.1: A 12 TYR OH : rot 180:sc= 1.01 USER MOD Set 3.2: A 109 TYR OH : rot -21:sc= 1.22 USER MOD Single : A 1 GLU N :NH3+ -148:sc= 1.41 (180deg=-0.441) USER MOD Single : A 2 GLN : amide:sc= -0.96 K(o=-0.96,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.0569 K(o=-0.057,f=-2.2) USER MOD Single : A 9 THR OG1 : rot 98:sc= 0.924 USER MOD Single : A 10 TYR OH : rot -171:sc= 0.179 USER MOD Single : A 11 HIS : no HD1:sc= -0.896 K(o=-0.9,f=-2.9!) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 17 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.079) USER MOD Single : A 18 ASN : amide:sc= -2.56 K(o=-2.6,f=-0.48) USER MOD Single : A 19 ASN : amide:sc= 0.651 K(o=0.65,f=-0.47) USER MOD Single : A 28 SER OG : rot -99:sc= 0.993 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 170:sc= 0.111 USER MOD Single : A 38 LYS NZ :NH3+ 133:sc= 0.0361 (180deg=-0.0389) USER MOD Single : A 41 SER OG : rot 180:sc= -0.199 USER MOD Single : A 44 SER OG : rot 180:sc= -0.617! USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00389) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 122:sc= -5.48! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc=-0.00608 (180deg=-0.321) USER MOD Single : A 71 ASN : amide:sc= -1.54 K(o=-1.5,f=-4.3!) USER MOD Single : A 74 THR OG1 : rot -147:sc= 1.31 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 97 THR OG1 : rot 100:sc= -1.73 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0955 USER MOD Single : A 101 LYS NZ :NH3+ 176:sc= -0.355! (180deg=-0.408!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0579 USER MOD Single : A 105 ASN : amide:sc= -5.51! K(o=-5.5!,f=-0.36) USER MOD Single : A 110 GLN : amide:sc= -0.0512 X(o=-0.051,f=-0.051) USER MOD Single : A 115 ASN : amide:sc= -0.0739 K(o=-0.074,f=-8.7!) USER MOD Single : A 117 ASN : amide:sc= -2.05! C(o=-2.1!,f=-9.4!) USER MOD Single : A 118 TYR OH : rot 166:sc= -0.358 USER MOD Single : A 119 GLN : amide:sc= -4.92! C(o=-4.9!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.020 16.051 0.157 1.00 0.00 N ATOM 2 CA GLU A 1 4.150 16.171 -1.321 1.00 0.00 C ATOM 3 C GLU A 1 4.954 15.053 -2.002 1.00 0.00 C ATOM 4 O GLU A 1 4.401 14.201 -2.668 1.00 0.00 O ATOM 5 CB GLU A 1 4.769 17.564 -1.601 1.00 0.00 C ATOM 6 CG GLU A 1 3.904 18.681 -0.899 1.00 0.00 C ATOM 7 CD GLU A 1 2.400 18.516 -1.150 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.907 17.568 -0.556 1.00 0.00 O ATOM 9 OE2 GLU A 1 1.864 19.311 -1.892 1.00 0.00 O ATOM 0 H1 GLU A 1 3.107 16.447 0.459 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.069 15.049 0.430 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.793 16.573 0.617 1.00 0.00 H new ATOM 0 HA GLU A 1 3.158 16.064 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.794 17.598 -1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.811 17.745 -2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.093 18.659 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.222 19.660 -1.259 1.00 0.00 H new ATOM 18 N GLN A 2 6.248 15.037 -1.846 1.00 0.00 N ATOM 19 CA GLN A 2 7.058 13.961 -2.504 1.00 0.00 C ATOM 20 C GLN A 2 7.936 13.249 -1.455 1.00 0.00 C ATOM 21 O GLN A 2 8.284 13.837 -0.446 1.00 0.00 O ATOM 22 CB GLN A 2 7.894 14.672 -3.605 1.00 0.00 C ATOM 23 CG GLN A 2 6.953 15.438 -4.632 1.00 0.00 C ATOM 24 CD GLN A 2 7.743 16.098 -5.770 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.215 16.724 -6.667 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.029 15.990 -5.785 1.00 0.00 N ATOM 0 H GLN A 2 6.780 15.713 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 2 6.440 13.183 -2.952 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.584 15.378 -3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.498 13.938 -4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.232 14.737 -5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.383 16.200 -4.100 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.506 15.471 -5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.568 16.423 -6.534 1.00 0.00 H new ATOM 35 N ALA A 3 8.267 12.004 -1.707 1.00 0.00 N ATOM 36 CA ALA A 3 9.124 11.264 -0.734 1.00 0.00 C ATOM 37 C ALA A 3 10.110 10.305 -1.420 1.00 0.00 C ATOM 38 O ALA A 3 9.807 9.660 -2.411 1.00 0.00 O ATOM 39 CB ALA A 3 8.205 10.482 0.204 1.00 0.00 C ATOM 0 H ALA A 3 7.984 11.477 -2.533 1.00 0.00 H new ATOM 0 HA ALA A 3 9.728 11.988 -0.186 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.807 9.931 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.549 11.174 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.603 9.782 -0.376 1.00 0.00 H new ATOM 45 N ASN A 4 11.276 10.251 -0.851 1.00 0.00 N ATOM 46 CA ASN A 4 12.356 9.375 -1.365 1.00 0.00 C ATOM 47 C ASN A 4 12.846 8.521 -0.182 1.00 0.00 C ATOM 48 O ASN A 4 12.427 8.733 0.938 1.00 0.00 O ATOM 49 CB ASN A 4 13.442 10.314 -1.948 1.00 0.00 C ATOM 50 CG ASN A 4 13.917 11.329 -0.915 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.188 12.179 -0.452 1.00 0.00 O ATOM 52 ND2 ASN A 4 15.139 11.310 -0.499 1.00 0.00 N ATOM 0 H ASN A 4 11.532 10.794 -0.027 1.00 0.00 H new ATOM 0 HA ASN A 4 12.046 8.690 -2.154 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.289 9.722 -2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.043 10.837 -2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 4 15.454 11.992 0.191 1.00 0.00 H new ATOM 0 HD22 ASN A 4 15.790 10.613 -0.860 1.00 0.00 H new ATOM 59 N ASP A 5 13.705 7.587 -0.468 1.00 0.00 N ATOM 60 CA ASP A 5 14.298 6.659 0.559 1.00 0.00 C ATOM 61 C ASP A 5 13.229 5.903 1.418 1.00 0.00 C ATOM 62 O ASP A 5 13.300 5.905 2.633 1.00 0.00 O ATOM 63 CB ASP A 5 15.279 7.559 1.454 1.00 0.00 C ATOM 64 CG ASP A 5 16.329 6.742 2.206 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.986 6.022 1.477 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.434 6.866 3.418 1.00 0.00 O ATOM 0 H ASP A 5 14.042 7.414 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 5 14.839 5.851 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.782 8.283 0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.687 8.126 2.172 1.00 0.00 H new ATOM 71 N VAL A 6 12.259 5.256 0.808 1.00 0.00 N ATOM 72 CA VAL A 6 11.221 4.525 1.638 1.00 0.00 C ATOM 73 C VAL A 6 11.262 2.982 1.442 1.00 0.00 C ATOM 74 O VAL A 6 11.423 2.487 0.336 1.00 0.00 O ATOM 75 CB VAL A 6 9.799 5.107 1.262 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.671 4.498 2.148 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.780 6.637 1.519 1.00 0.00 C ATOM 0 H VAL A 6 12.135 5.198 -0.203 1.00 0.00 H new ATOM 0 HA VAL A 6 11.439 4.689 2.693 1.00 0.00 H new ATOM 0 HB VAL A 6 9.623 4.862 0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.711 4.924 1.858 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.645 3.417 2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.868 4.727 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.800 7.037 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.985 6.832 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.542 7.118 0.906 1.00 0.00 H new ATOM 87 N ARG A 7 11.112 2.272 2.544 1.00 0.00 N ATOM 88 CA ARG A 7 11.126 0.767 2.550 1.00 0.00 C ATOM 89 C ARG A 7 9.815 0.230 1.931 1.00 0.00 C ATOM 90 O ARG A 7 8.801 0.079 2.591 1.00 0.00 O ATOM 91 CB ARG A 7 11.265 0.241 4.025 1.00 0.00 C ATOM 92 CG ARG A 7 12.576 0.718 4.731 1.00 0.00 C ATOM 93 CD ARG A 7 12.572 0.118 6.171 1.00 0.00 C ATOM 94 NE ARG A 7 13.732 0.655 6.984 1.00 0.00 N ATOM 95 CZ ARG A 7 13.888 1.909 7.160 1.00 0.00 C ATOM 96 NH1 ARG A 7 13.267 2.449 8.124 1.00 0.00 N ATOM 97 NH2 ARG A 7 14.648 2.542 6.363 1.00 0.00 N ATOM 0 H ARG A 7 10.977 2.688 3.466 1.00 0.00 H new ATOM 0 HA ARG A 7 11.974 0.416 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.405 0.576 4.605 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.240 -0.849 4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.454 0.384 4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.618 1.807 4.768 1.00 0.00 H new ATOM 0 HD2 ARG A 7 11.632 0.360 6.667 1.00 0.00 H new ATOM 0 HD3 ARG A 7 12.633 -0.969 6.117 1.00 0.00 H new ATOM 0 HE ARG A 7 14.399 0.003 7.397 1.00 0.00 H new ATOM 0 HH11 ARG A 7 12.669 1.883 8.726 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.366 3.449 8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.117 2.047 5.604 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.790 3.545 6.482 1.00 0.00 H new ATOM 111 N ALA A 8 9.891 -0.049 0.661 1.00 0.00 N ATOM 112 CA ALA A 8 8.701 -0.570 -0.068 1.00 0.00 C ATOM 113 C ALA A 8 8.655 -2.095 0.106 1.00 0.00 C ATOM 114 O ALA A 8 9.061 -2.858 -0.750 1.00 0.00 O ATOM 115 CB ALA A 8 8.824 -0.184 -1.561 1.00 0.00 C ATOM 0 H ALA A 8 10.731 0.062 0.093 1.00 0.00 H new ATOM 0 HA ALA A 8 7.779 -0.142 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.958 -0.560 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.868 0.901 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.732 -0.621 -1.976 1.00 0.00 H new ATOM 121 N THR A 9 8.168 -2.491 1.253 1.00 0.00 N ATOM 122 CA THR A 9 8.065 -3.962 1.520 1.00 0.00 C ATOM 123 C THR A 9 6.750 -4.434 0.882 1.00 0.00 C ATOM 124 O THR A 9 6.063 -3.676 0.228 1.00 0.00 O ATOM 125 CB THR A 9 8.085 -4.222 3.064 1.00 0.00 C ATOM 126 OG1 THR A 9 7.767 -5.596 3.215 1.00 0.00 O ATOM 127 CG2 THR A 9 6.967 -3.588 3.832 1.00 0.00 C ATOM 0 H THR A 9 7.843 -1.879 2.002 1.00 0.00 H new ATOM 0 HA THR A 9 8.904 -4.513 1.095 1.00 0.00 H new ATOM 0 HB THR A 9 9.046 -3.852 3.422 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.593 -6.113 3.324 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.071 -3.827 4.890 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.002 -2.507 3.699 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.013 -3.968 3.466 1.00 0.00 H new ATOM 135 N TYR A 10 6.420 -5.672 1.064 1.00 0.00 N ATOM 136 CA TYR A 10 5.166 -6.273 0.497 1.00 0.00 C ATOM 137 C TYR A 10 4.372 -7.076 1.547 1.00 0.00 C ATOM 138 O TYR A 10 4.859 -7.297 2.636 1.00 0.00 O ATOM 139 CB TYR A 10 5.601 -7.177 -0.688 1.00 0.00 C ATOM 140 CG TYR A 10 6.818 -8.038 -0.278 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.755 -8.915 0.788 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.006 -7.938 -0.976 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.848 -9.665 1.148 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.104 -8.696 -0.611 1.00 0.00 C ATOM 145 CZ TYR A 10 9.019 -9.563 0.458 1.00 0.00 C ATOM 146 OH TYR A 10 10.045 -10.357 0.908 1.00 0.00 O ATOM 0 H TYR A 10 6.984 -6.329 1.603 1.00 0.00 H new ATOM 0 HA TYR A 10 4.492 -5.483 0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.774 -7.821 -0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.855 -6.562 -1.551 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.835 -9.012 1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.078 -7.261 -1.815 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.779 -10.342 1.986 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.028 -8.609 -1.163 1.00 0.00 H new ATOM 0 HH TYR A 10 10.875 -10.110 0.450 1.00 0.00 H new ATOM 156 N HIS A 11 3.184 -7.508 1.210 1.00 0.00 N ATOM 157 CA HIS A 11 2.354 -8.315 2.174 1.00 0.00 C ATOM 158 C HIS A 11 1.791 -9.568 1.447 1.00 0.00 C ATOM 159 O HIS A 11 1.921 -9.664 0.245 1.00 0.00 O ATOM 160 CB HIS A 11 1.225 -7.419 2.711 1.00 0.00 C ATOM 161 CG HIS A 11 0.392 -8.225 3.684 1.00 0.00 C ATOM 162 ND1 HIS A 11 0.870 -8.887 4.681 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.962 -8.439 3.729 1.00 0.00 C ATOM 164 CE1 HIS A 11 -0.104 -9.477 5.306 1.00 0.00 C ATOM 165 NE2 HIS A 11 -1.261 -9.223 4.745 1.00 0.00 N ATOM 0 H HIS A 11 2.745 -7.339 0.305 1.00 0.00 H new ATOM 0 HA HIS A 11 2.957 -8.660 3.013 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.641 -6.541 3.206 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.605 -7.058 1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.678 -8.026 3.034 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.024 -10.099 6.179 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.182 -9.556 5.030 1.00 0.00 H new ATOM 173 N TYR A 12 1.184 -10.486 2.163 1.00 0.00 N ATOM 174 CA TYR A 12 0.614 -11.748 1.546 1.00 0.00 C ATOM 175 C TYR A 12 -0.891 -12.058 1.883 1.00 0.00 C ATOM 176 O TYR A 12 -1.162 -13.006 2.596 1.00 0.00 O ATOM 177 CB TYR A 12 1.559 -12.931 2.007 1.00 0.00 C ATOM 178 CG TYR A 12 2.794 -13.119 1.089 1.00 0.00 C ATOM 179 CD1 TYR A 12 3.799 -12.172 0.977 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.903 -14.279 0.342 1.00 0.00 C ATOM 181 CE1 TYR A 12 4.883 -12.388 0.134 1.00 0.00 C ATOM 182 CE2 TYR A 12 3.985 -14.488 -0.495 1.00 0.00 C ATOM 183 CZ TYR A 12 4.976 -13.545 -0.605 1.00 0.00 C ATOM 184 OH TYR A 12 6.038 -13.761 -1.462 1.00 0.00 O ATOM 0 H TYR A 12 1.053 -10.420 3.172 1.00 0.00 H new ATOM 0 HA TYR A 12 0.595 -11.615 0.464 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.897 -12.741 3.026 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.986 -13.858 2.029 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.740 -11.258 1.550 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.132 -15.032 0.413 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.659 -11.641 0.058 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.050 -15.402 -1.067 1.00 0.00 H new ATOM 0 HH TYR A 12 5.935 -14.633 -1.898 1.00 0.00 H new ATOM 194 N TYR A 13 -1.831 -11.289 1.375 1.00 0.00 N ATOM 195 CA TYR A 13 -3.283 -11.576 1.697 1.00 0.00 C ATOM 196 C TYR A 13 -4.121 -12.223 0.556 1.00 0.00 C ATOM 197 O TYR A 13 -5.333 -12.205 0.591 1.00 0.00 O ATOM 198 CB TYR A 13 -3.907 -10.231 2.145 1.00 0.00 C ATOM 199 CG TYR A 13 -4.175 -9.316 0.942 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.169 -8.558 0.371 1.00 0.00 C ATOM 201 CD2 TYR A 13 -5.452 -9.251 0.414 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.443 -7.749 -0.714 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.717 -8.441 -0.670 1.00 0.00 C ATOM 204 CZ TYR A 13 -4.715 -7.692 -1.233 1.00 0.00 C ATOM 205 OH TYR A 13 -4.994 -6.890 -2.311 1.00 0.00 O ATOM 0 H TYR A 13 -1.667 -10.490 0.763 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.304 -12.338 2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.839 -10.419 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.236 -9.731 2.844 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.168 -8.599 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.245 -9.838 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.655 -7.158 -1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.716 -8.396 -1.077 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.942 -6.974 -2.545 1.00 0.00 H new ATOM 215 N ARG A 14 -3.433 -12.782 -0.406 1.00 0.00 N ATOM 216 CA ARG A 14 -4.065 -13.465 -1.593 1.00 0.00 C ATOM 217 C ARG A 14 -4.784 -12.499 -2.587 1.00 0.00 C ATOM 218 O ARG A 14 -5.974 -12.617 -2.809 1.00 0.00 O ATOM 219 CB ARG A 14 -5.090 -14.569 -1.072 1.00 0.00 C ATOM 220 CG ARG A 14 -4.360 -15.734 -0.324 1.00 0.00 C ATOM 221 CD ARG A 14 -4.315 -15.532 1.210 1.00 0.00 C ATOM 222 NE ARG A 14 -3.385 -16.600 1.727 1.00 0.00 N ATOM 223 CZ ARG A 14 -3.775 -17.563 2.481 1.00 0.00 C ATOM 224 NH1 ARG A 14 -4.815 -18.186 2.117 1.00 0.00 N ATOM 225 NH2 ARG A 14 -3.128 -17.861 3.536 1.00 0.00 N ATOM 0 H ARG A 14 -2.413 -12.797 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.251 -13.916 -2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.814 -14.105 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.649 -14.973 -1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.865 -16.674 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.342 -15.821 -0.704 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.951 -14.537 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.308 -15.630 1.649 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.400 -16.555 1.466 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.299 -17.914 1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.169 -18.960 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.292 -17.333 3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.445 -18.628 4.129 1.00 0.00 H new ATOM 239 N PRO A 15 -4.057 -11.570 -3.180 1.00 0.00 N ATOM 240 CA PRO A 15 -4.658 -10.457 -3.986 1.00 0.00 C ATOM 241 C PRO A 15 -5.254 -10.918 -5.319 1.00 0.00 C ATOM 242 O PRO A 15 -6.374 -11.392 -5.331 1.00 0.00 O ATOM 243 CB PRO A 15 -3.506 -9.484 -4.135 1.00 0.00 C ATOM 244 CG PRO A 15 -2.275 -10.435 -4.238 1.00 0.00 C ATOM 245 CD PRO A 15 -2.564 -11.490 -3.140 1.00 0.00 C ATOM 0 HA PRO A 15 -5.524 -10.007 -3.502 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.613 -8.861 -5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.429 -8.811 -3.281 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.197 -10.890 -5.225 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.339 -9.907 -4.055 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.097 -12.450 -3.362 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.197 -11.175 -2.163 1.00 0.00 H new ATOM 253 N ALA A 16 -4.560 -10.805 -6.429 1.00 0.00 N ATOM 254 CA ALA A 16 -5.210 -11.281 -7.691 1.00 0.00 C ATOM 255 C ALA A 16 -5.562 -12.783 -7.558 1.00 0.00 C ATOM 256 O ALA A 16 -6.323 -13.323 -8.334 1.00 0.00 O ATOM 257 CB ALA A 16 -4.241 -10.971 -8.852 1.00 0.00 C ATOM 0 H ALA A 16 -3.618 -10.423 -6.516 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.153 -10.771 -7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.681 -11.304 -9.792 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.059 -9.897 -8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.298 -11.492 -8.688 1.00 0.00 H new ATOM 263 N GLN A 17 -4.992 -13.417 -6.555 1.00 0.00 N ATOM 264 CA GLN A 17 -5.248 -14.871 -6.284 1.00 0.00 C ATOM 265 C GLN A 17 -6.771 -14.949 -6.039 1.00 0.00 C ATOM 266 O GLN A 17 -7.437 -15.769 -6.635 1.00 0.00 O ATOM 267 CB GLN A 17 -4.455 -15.312 -5.026 1.00 0.00 C ATOM 268 CG GLN A 17 -4.609 -16.867 -4.822 1.00 0.00 C ATOM 269 CD GLN A 17 -3.891 -17.760 -5.854 1.00 0.00 C ATOM 270 OE1 GLN A 17 -4.272 -18.884 -6.079 1.00 0.00 O ATOM 271 NE2 GLN A 17 -2.850 -17.380 -6.521 1.00 0.00 N ATOM 0 H GLN A 17 -4.346 -12.976 -5.900 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.934 -15.525 -7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.402 -15.052 -5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.823 -14.782 -4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.237 -17.122 -3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.671 -17.112 -4.836 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.471 -16.443 -6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.409 -18.017 -7.184 1.00 0.00 H new ATOM 280 N ASN A 18 -7.315 -14.110 -5.186 1.00 0.00 N ATOM 281 CA ASN A 18 -8.801 -14.163 -4.955 1.00 0.00 C ATOM 282 C ASN A 18 -9.369 -13.167 -6.019 1.00 0.00 C ATOM 283 O ASN A 18 -10.198 -12.324 -5.724 1.00 0.00 O ATOM 284 CB ASN A 18 -9.045 -13.690 -3.503 1.00 0.00 C ATOM 285 CG ASN A 18 -10.532 -13.710 -3.207 1.00 0.00 C ATOM 286 OD1 ASN A 18 -11.124 -14.705 -2.864 1.00 0.00 O ATOM 287 ND2 ASN A 18 -11.209 -12.625 -3.334 1.00 0.00 N ATOM 0 H ASN A 18 -6.810 -13.405 -4.649 1.00 0.00 H new ATOM 0 HA ASN A 18 -9.268 -15.142 -5.060 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.516 -14.338 -2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.650 -12.683 -3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -12.212 -12.625 -3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.744 -11.764 -3.622 1.00 0.00 H new ATOM 294 N ASN A 19 -8.866 -13.338 -7.238 1.00 0.00 N ATOM 295 CA ASN A 19 -9.215 -12.506 -8.457 1.00 0.00 C ATOM 296 C ASN A 19 -9.330 -11.047 -7.947 1.00 0.00 C ATOM 297 O ASN A 19 -10.072 -10.254 -8.482 1.00 0.00 O ATOM 298 CB ASN A 19 -10.560 -13.038 -8.995 1.00 0.00 C ATOM 299 CG ASN A 19 -10.979 -12.462 -10.355 1.00 0.00 C ATOM 300 OD1 ASN A 19 -10.994 -13.154 -11.343 1.00 0.00 O ATOM 301 ND2 ASN A 19 -11.336 -11.232 -10.520 1.00 0.00 N ATOM 0 H ASN A 19 -8.185 -14.069 -7.444 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.481 -12.555 -9.261 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.499 -14.123 -9.078 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.340 -12.818 -8.266 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.608 -10.900 -11.445 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.346 -10.593 -9.725 1.00 0.00 H new ATOM 308 N TRP A 20 -8.574 -10.803 -6.894 1.00 0.00 N ATOM 309 CA TRP A 20 -8.458 -9.530 -6.142 1.00 0.00 C ATOM 310 C TRP A 20 -9.773 -8.788 -6.225 1.00 0.00 C ATOM 311 O TRP A 20 -9.812 -7.616 -6.545 1.00 0.00 O ATOM 312 CB TRP A 20 -7.257 -8.625 -6.645 1.00 0.00 C ATOM 313 CG TRP A 20 -7.238 -8.016 -8.043 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.226 -8.036 -8.958 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.172 -7.364 -8.566 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.711 -7.408 -9.991 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.472 -6.961 -9.847 1.00 0.00 C ATOM 318 CE3 TRP A 20 -4.926 -7.053 -8.031 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.517 -6.265 -10.544 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.002 -6.350 -8.772 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.308 -5.962 -10.031 1.00 0.00 C ATOM 0 H TRP A 20 -7.975 -11.528 -6.499 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.233 -9.770 -5.103 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -7.169 -7.798 -5.940 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -6.351 -9.223 -6.550 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.212 -8.468 -8.865 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.236 -7.272 -10.855 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.681 -7.365 -7.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.744 -5.945 -11.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.038 -6.110 -8.350 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.589 -5.413 -10.621 1.00 0.00 H new ATOM 332 N ASP A 21 -10.855 -9.463 -5.943 1.00 0.00 N ATOM 333 CA ASP A 21 -12.099 -8.705 -6.035 1.00 0.00 C ATOM 334 C ASP A 21 -12.324 -8.078 -4.657 1.00 0.00 C ATOM 335 O ASP A 21 -12.720 -8.697 -3.683 1.00 0.00 O ATOM 336 CB ASP A 21 -13.216 -9.666 -6.436 1.00 0.00 C ATOM 337 CG ASP A 21 -14.249 -8.799 -7.127 1.00 0.00 C ATOM 338 OD1 ASP A 21 -14.858 -8.016 -6.417 1.00 0.00 O ATOM 339 OD2 ASP A 21 -14.310 -8.973 -8.332 1.00 0.00 O ATOM 0 H ASP A 21 -10.919 -10.444 -5.671 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.071 -7.914 -6.785 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.846 -10.446 -7.102 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.639 -10.165 -5.564 1.00 0.00 H new ATOM 344 N LEU A 22 -12.034 -6.799 -4.599 1.00 0.00 N ATOM 345 CA LEU A 22 -12.201 -6.042 -3.339 1.00 0.00 C ATOM 346 C LEU A 22 -13.597 -6.291 -2.709 1.00 0.00 C ATOM 347 O LEU A 22 -13.769 -5.917 -1.571 1.00 0.00 O ATOM 348 CB LEU A 22 -11.967 -4.524 -3.659 1.00 0.00 C ATOM 349 CG LEU A 22 -10.627 -4.245 -4.442 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.637 -2.775 -4.873 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.405 -4.397 -3.510 1.00 0.00 C ATOM 0 H LEU A 22 -11.686 -6.251 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.475 -6.378 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.806 -4.151 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.957 -3.962 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.561 -4.943 -5.277 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.721 -2.550 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.497 -2.590 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.700 -2.138 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.492 -4.200 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.485 -3.687 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.374 -5.411 -3.113 1.00 0.00 H new ATOM 363 N GLY A 23 -14.542 -6.899 -3.405 1.00 0.00 N ATOM 364 CA GLY A 23 -15.900 -7.145 -2.786 1.00 0.00 C ATOM 365 C GLY A 23 -15.926 -8.495 -2.033 1.00 0.00 C ATOM 366 O GLY A 23 -16.962 -8.981 -1.625 1.00 0.00 O ATOM 0 H GLY A 23 -14.435 -7.232 -4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.143 -6.335 -2.098 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.664 -7.143 -3.563 1.00 0.00 H new ATOM 370 N ALA A 24 -14.754 -9.058 -1.885 1.00 0.00 N ATOM 371 CA ALA A 24 -14.542 -10.360 -1.177 1.00 0.00 C ATOM 372 C ALA A 24 -14.293 -10.047 0.326 1.00 0.00 C ATOM 373 O ALA A 24 -13.338 -9.353 0.639 1.00 0.00 O ATOM 374 CB ALA A 24 -13.314 -11.052 -1.799 1.00 0.00 C ATOM 0 H ALA A 24 -13.893 -8.647 -2.245 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.406 -11.018 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.140 -12.004 -1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.494 -11.228 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.438 -10.414 -1.680 1.00 0.00 H new ATOM 380 N PRO A 25 -15.110 -10.541 1.236 1.00 0.00 N ATOM 381 CA PRO A 25 -15.101 -10.094 2.672 1.00 0.00 C ATOM 382 C PRO A 25 -13.709 -9.625 3.186 1.00 0.00 C ATOM 383 O PRO A 25 -13.497 -8.484 3.551 1.00 0.00 O ATOM 384 CB PRO A 25 -15.672 -11.336 3.437 1.00 0.00 C ATOM 385 CG PRO A 25 -15.974 -12.405 2.328 1.00 0.00 C ATOM 386 CD PRO A 25 -16.134 -11.601 1.026 1.00 0.00 C ATOM 0 HA PRO A 25 -15.698 -9.195 2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.953 -11.715 4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.575 -11.076 3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -15.163 -13.128 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.880 -12.966 2.558 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -15.933 -12.203 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.138 -11.191 0.912 1.00 0.00 H new ATOM 394 N ALA A 26 -12.831 -10.590 3.154 1.00 0.00 N ATOM 395 CA ALA A 26 -11.390 -10.507 3.570 1.00 0.00 C ATOM 396 C ALA A 26 -10.571 -9.266 3.133 1.00 0.00 C ATOM 397 O ALA A 26 -9.486 -9.037 3.628 1.00 0.00 O ATOM 398 CB ALA A 26 -10.731 -11.814 3.051 1.00 0.00 C ATOM 0 H ALA A 26 -13.080 -11.522 2.824 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.382 -10.390 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.675 -11.821 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.226 -12.675 3.501 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.829 -11.865 1.967 1.00 0.00 H new ATOM 404 N VAL A 27 -11.115 -8.519 2.220 1.00 0.00 N ATOM 405 CA VAL A 27 -10.422 -7.294 1.709 1.00 0.00 C ATOM 406 C VAL A 27 -11.173 -6.009 2.021 1.00 0.00 C ATOM 407 O VAL A 27 -10.719 -5.139 2.734 1.00 0.00 O ATOM 408 CB VAL A 27 -10.269 -7.410 0.183 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.272 -6.356 -0.319 1.00 0.00 C ATOM 410 CG2 VAL A 27 -9.726 -8.812 -0.184 1.00 0.00 C ATOM 0 H VAL A 27 -12.024 -8.702 1.795 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.456 -7.239 2.211 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.243 -7.254 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.166 -6.441 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.638 -5.360 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.303 -6.517 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.619 -8.889 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.755 -8.961 0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.421 -9.575 0.167 1.00 0.00 H new ATOM 420 N SER A 28 -12.328 -5.973 1.419 1.00 0.00 N ATOM 421 CA SER A 28 -13.280 -4.831 1.530 1.00 0.00 C ATOM 422 C SER A 28 -12.659 -3.398 1.773 1.00 0.00 C ATOM 423 O SER A 28 -12.982 -2.687 2.704 1.00 0.00 O ATOM 424 CB SER A 28 -14.298 -5.219 2.651 1.00 0.00 C ATOM 425 OG SER A 28 -13.503 -5.710 3.724 1.00 0.00 O ATOM 0 H SER A 28 -12.667 -6.729 0.824 1.00 0.00 H new ATOM 0 HA SER A 28 -13.746 -4.699 0.554 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.889 -4.357 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.999 -5.977 2.301 1.00 0.00 H new ATOM 0 HG SER A 28 -13.494 -6.690 3.703 1.00 0.00 H new ATOM 431 N ALA A 29 -11.772 -3.001 0.902 1.00 0.00 N ATOM 432 CA ALA A 29 -11.075 -1.669 0.995 1.00 0.00 C ATOM 433 C ALA A 29 -11.874 -0.374 0.659 1.00 0.00 C ATOM 434 O ALA A 29 -12.923 -0.419 0.052 1.00 0.00 O ATOM 435 CB ALA A 29 -9.865 -1.799 0.079 1.00 0.00 C ATOM 0 H ALA A 29 -11.487 -3.560 0.098 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.858 -1.503 2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.300 -0.867 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.230 -2.613 0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.199 -2.010 -0.937 1.00 0.00 H new ATOM 441 N TYR A 30 -11.324 0.750 1.063 1.00 0.00 N ATOM 442 CA TYR A 30 -11.948 2.100 0.823 1.00 0.00 C ATOM 443 C TYR A 30 -12.884 2.310 -0.368 1.00 0.00 C ATOM 444 O TYR A 30 -14.036 2.629 -0.179 1.00 0.00 O ATOM 445 CB TYR A 30 -10.806 3.166 0.738 1.00 0.00 C ATOM 446 CG TYR A 30 -10.979 4.240 1.830 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.230 4.807 2.041 1.00 0.00 C ATOM 448 CD2 TYR A 30 -9.912 4.672 2.595 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.398 5.785 3.001 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.094 5.655 3.556 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.339 6.211 3.757 1.00 0.00 C ATOM 452 OH TYR A 30 -11.543 7.190 4.700 1.00 0.00 O ATOM 0 H TYR A 30 -10.438 0.790 1.567 1.00 0.00 H new ATOM 0 HA TYR A 30 -12.621 2.198 1.675 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -9.838 2.678 0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -10.813 3.636 -0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.074 4.481 1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.933 4.242 2.444 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.375 6.218 3.157 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.255 5.987 4.150 1.00 0.00 H new ATOM 0 HH TYR A 30 -10.698 7.386 5.157 1.00 0.00 H new ATOM 462 N CYS A 31 -12.398 2.123 -1.563 1.00 0.00 N ATOM 463 CA CYS A 31 -13.331 2.347 -2.722 1.00 0.00 C ATOM 464 C CYS A 31 -13.991 1.046 -3.195 1.00 0.00 C ATOM 465 O CYS A 31 -14.698 1.022 -4.179 1.00 0.00 O ATOM 466 CB CYS A 31 -12.482 3.010 -3.828 1.00 0.00 C ATOM 467 SG CYS A 31 -11.539 4.479 -3.333 1.00 0.00 S ATOM 0 H CYS A 31 -11.445 1.839 -1.791 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.165 2.987 -2.435 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.784 2.268 -4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.143 3.287 -4.649 1.00 0.00 H new ATOM 472 N ALA A 32 -13.776 -0.021 -2.471 1.00 0.00 N ATOM 473 CA ALA A 32 -14.380 -1.332 -2.874 1.00 0.00 C ATOM 474 C ALA A 32 -15.905 -1.253 -3.089 1.00 0.00 C ATOM 475 O ALA A 32 -16.454 -2.039 -3.829 1.00 0.00 O ATOM 476 CB ALA A 32 -14.023 -2.361 -1.786 1.00 0.00 C ATOM 0 H ALA A 32 -13.212 -0.045 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.971 -1.629 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.448 -3.330 -2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.939 -2.449 -1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.429 -2.034 -0.829 1.00 0.00 H new ATOM 482 N THR A 33 -16.547 -0.315 -2.447 1.00 0.00 N ATOM 483 CA THR A 33 -18.045 -0.127 -2.576 1.00 0.00 C ATOM 484 C THR A 33 -18.410 0.700 -3.826 1.00 0.00 C ATOM 485 O THR A 33 -19.552 0.790 -4.232 1.00 0.00 O ATOM 486 CB THR A 33 -18.543 0.585 -1.291 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.492 -0.404 -0.273 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.015 0.971 -1.283 1.00 0.00 C ATOM 0 H THR A 33 -16.096 0.351 -1.820 1.00 0.00 H new ATOM 0 HA THR A 33 -18.526 -1.098 -2.691 1.00 0.00 H new ATOM 0 HB THR A 33 -17.935 1.483 -1.185 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.795 -0.017 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.257 1.461 -0.340 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.217 1.653 -2.109 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.627 0.076 -1.394 1.00 0.00 H new ATOM 496 N TRP A 34 -17.401 1.284 -4.408 1.00 0.00 N ATOM 497 CA TRP A 34 -17.540 2.143 -5.635 1.00 0.00 C ATOM 498 C TRP A 34 -16.690 1.709 -6.871 1.00 0.00 C ATOM 499 O TRP A 34 -16.940 2.164 -7.980 1.00 0.00 O ATOM 500 CB TRP A 34 -17.206 3.578 -5.139 1.00 0.00 C ATOM 501 CG TRP A 34 -18.274 3.997 -4.109 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.628 3.921 -4.286 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.023 4.486 -2.879 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.094 4.371 -3.137 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.206 4.733 -2.229 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.826 4.746 -2.249 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.201 5.233 -0.949 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -16.812 5.251 -0.960 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.007 5.494 -0.311 1.00 0.00 C ATOM 0 H TRP A 34 -16.441 1.201 -4.074 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.548 2.055 -6.041 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.214 3.602 -4.688 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.193 4.275 -5.977 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.178 3.578 -5.150 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.096 4.436 -2.958 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.895 4.555 -2.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.135 5.422 -0.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.874 5.454 -0.465 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.006 5.888 0.695 1.00 0.00 H new ATOM 520 N ASP A 35 -15.714 0.864 -6.634 1.00 0.00 N ATOM 521 CA ASP A 35 -14.770 0.299 -7.661 1.00 0.00 C ATOM 522 C ASP A 35 -15.007 -1.229 -7.878 1.00 0.00 C ATOM 523 O ASP A 35 -14.953 -1.671 -9.008 1.00 0.00 O ATOM 524 CB ASP A 35 -13.350 0.624 -7.134 1.00 0.00 C ATOM 525 CG ASP A 35 -12.171 0.345 -8.076 1.00 0.00 C ATOM 526 OD1 ASP A 35 -12.451 0.248 -9.261 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.074 0.269 -7.529 1.00 0.00 O ATOM 0 H ASP A 35 -15.520 0.517 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.924 0.738 -8.647 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.324 1.680 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.192 0.056 -6.217 1.00 0.00 H new ATOM 532 N ALA A 36 -15.273 -1.997 -6.835 1.00 0.00 N ATOM 533 CA ALA A 36 -15.508 -3.488 -7.021 1.00 0.00 C ATOM 534 C ALA A 36 -16.707 -3.746 -7.950 1.00 0.00 C ATOM 535 O ALA A 36 -16.948 -4.850 -8.396 1.00 0.00 O ATOM 536 CB ALA A 36 -15.789 -4.161 -5.655 1.00 0.00 C ATOM 0 H ALA A 36 -15.338 -1.666 -5.872 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.608 -3.910 -7.468 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.955 -5.228 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.934 -4.015 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.676 -3.714 -5.205 1.00 0.00 H new ATOM 542 N SER A 37 -17.402 -2.669 -8.159 1.00 0.00 N ATOM 543 CA SER A 37 -18.616 -2.509 -9.004 1.00 0.00 C ATOM 544 C SER A 37 -18.221 -2.162 -10.449 1.00 0.00 C ATOM 545 O SER A 37 -18.924 -2.508 -11.379 1.00 0.00 O ATOM 546 CB SER A 37 -19.427 -1.403 -8.364 1.00 0.00 C ATOM 547 OG SER A 37 -18.440 -0.378 -8.195 1.00 0.00 O ATOM 0 H SER A 37 -17.138 -1.787 -7.719 1.00 0.00 H new ATOM 0 HA SER A 37 -19.198 -3.429 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.250 -1.078 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.863 -1.712 -7.414 1.00 0.00 H new ATOM 0 HG SER A 37 -18.878 0.458 -7.933 1.00 0.00 H new ATOM 553 N LYS A 38 -17.112 -1.469 -10.601 1.00 0.00 N ATOM 554 CA LYS A 38 -16.616 -1.068 -11.963 1.00 0.00 C ATOM 555 C LYS A 38 -16.070 -2.301 -12.721 1.00 0.00 C ATOM 556 O LYS A 38 -15.725 -3.290 -12.105 1.00 0.00 O ATOM 557 CB LYS A 38 -15.479 -0.023 -11.795 1.00 0.00 C ATOM 558 CG LYS A 38 -16.029 1.401 -11.607 1.00 0.00 C ATOM 559 CD LYS A 38 -14.799 2.307 -11.313 1.00 0.00 C ATOM 560 CE LYS A 38 -15.130 3.791 -11.482 1.00 0.00 C ATOM 561 NZ LYS A 38 -16.198 4.180 -10.499 1.00 0.00 N ATOM 0 H LYS A 38 -16.522 -1.160 -9.829 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.440 -0.641 -12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.864 -0.291 -10.935 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.831 -0.049 -12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.554 1.736 -12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.744 1.437 -10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.450 2.126 -10.296 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -13.982 2.039 -11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.236 4.395 -11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.469 3.986 -12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.926 5.064 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.098 4.320 -11.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.310 3.426 -9.791 1.00 0.00 H new ATOM 575 N PRO A 39 -15.997 -2.236 -14.034 1.00 0.00 N ATOM 576 CA PRO A 39 -15.330 -3.303 -14.832 1.00 0.00 C ATOM 577 C PRO A 39 -13.860 -3.582 -14.413 1.00 0.00 C ATOM 578 O PRO A 39 -13.113 -2.708 -14.004 1.00 0.00 O ATOM 579 CB PRO A 39 -15.493 -2.795 -16.281 1.00 0.00 C ATOM 580 CG PRO A 39 -15.556 -1.254 -16.086 1.00 0.00 C ATOM 581 CD PRO A 39 -16.522 -1.142 -14.899 1.00 0.00 C ATOM 0 HA PRO A 39 -15.776 -4.286 -14.681 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.655 -3.091 -16.913 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.398 -3.183 -16.749 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.578 -0.827 -15.862 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.932 -0.742 -16.972 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.474 -0.167 -14.413 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.560 -1.303 -15.190 1.00 0.00 H new ATOM 589 N LEU A 40 -13.472 -4.829 -14.532 1.00 0.00 N ATOM 590 CA LEU A 40 -12.088 -5.262 -14.172 1.00 0.00 C ATOM 591 C LEU A 40 -10.970 -4.520 -14.930 1.00 0.00 C ATOM 592 O LEU A 40 -9.976 -4.134 -14.342 1.00 0.00 O ATOM 593 CB LEU A 40 -12.064 -6.778 -14.416 1.00 0.00 C ATOM 594 CG LEU A 40 -12.546 -7.511 -13.138 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.828 -8.975 -13.488 1.00 0.00 C ATOM 596 CD2 LEU A 40 -11.412 -7.498 -12.092 1.00 0.00 C ATOM 0 H LEU A 40 -14.072 -5.581 -14.872 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.872 -5.011 -13.134 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.706 -7.032 -15.259 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.055 -7.100 -14.675 1.00 0.00 H new ATOM 0 HG LEU A 40 -13.438 -7.020 -12.750 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.168 -9.503 -12.597 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.600 -9.023 -14.256 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.916 -9.442 -13.861 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.743 -8.012 -11.190 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.537 -8.005 -12.498 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.154 -6.467 -11.848 1.00 0.00 H new ATOM 608 N SER A 41 -11.180 -4.367 -16.218 1.00 0.00 N ATOM 609 CA SER A 41 -10.198 -3.662 -17.116 1.00 0.00 C ATOM 610 C SER A 41 -9.572 -2.509 -16.319 1.00 0.00 C ATOM 611 O SER A 41 -8.377 -2.503 -16.072 1.00 0.00 O ATOM 612 CB SER A 41 -10.974 -3.163 -18.384 1.00 0.00 C ATOM 613 OG SER A 41 -11.946 -2.215 -17.943 1.00 0.00 O ATOM 0 H SER A 41 -12.012 -4.709 -16.699 1.00 0.00 H new ATOM 0 HA SER A 41 -9.393 -4.317 -17.450 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.289 -2.706 -19.098 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.455 -3.998 -18.893 1.00 0.00 H new ATOM 0 HG SER A 41 -12.450 -1.880 -18.714 1.00 0.00 H new ATOM 619 N TRP A 42 -10.430 -1.597 -15.927 1.00 0.00 N ATOM 620 CA TRP A 42 -9.997 -0.410 -15.139 1.00 0.00 C ATOM 621 C TRP A 42 -9.367 -0.890 -13.809 1.00 0.00 C ATOM 622 O TRP A 42 -8.219 -0.541 -13.622 1.00 0.00 O ATOM 623 CB TRP A 42 -11.243 0.497 -14.895 1.00 0.00 C ATOM 624 CG TRP A 42 -10.742 1.888 -14.430 1.00 0.00 C ATOM 625 CD1 TRP A 42 -10.343 2.886 -15.277 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.609 2.330 -13.158 1.00 0.00 C ATOM 627 NE1 TRP A 42 -9.994 3.866 -14.459 1.00 0.00 N ATOM 628 CE2 TRP A 42 -10.121 3.623 -13.167 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.868 1.718 -11.949 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.895 4.296 -11.990 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.641 2.390 -10.769 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.155 3.680 -10.787 1.00 0.00 C ATOM 0 H TRP A 42 -11.430 -1.631 -16.126 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.245 0.169 -15.675 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.831 0.590 -15.808 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.894 0.055 -14.140 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -10.319 2.876 -16.357 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.646 4.759 -14.807 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.250 0.708 -11.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.514 5.306 -12.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.844 1.905 -9.826 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.979 4.206 -9.860 1.00 0.00 H new ATOM 643 N ARG A 43 -10.073 -1.637 -12.975 1.00 0.00 N ATOM 644 CA ARG A 43 -9.460 -2.123 -11.664 1.00 0.00 C ATOM 645 C ARG A 43 -7.999 -2.616 -11.788 1.00 0.00 C ATOM 646 O ARG A 43 -7.219 -2.450 -10.872 1.00 0.00 O ATOM 647 CB ARG A 43 -10.325 -3.270 -11.069 1.00 0.00 C ATOM 648 CG ARG A 43 -11.523 -2.628 -10.344 1.00 0.00 C ATOM 649 CD ARG A 43 -12.527 -3.720 -9.952 1.00 0.00 C ATOM 650 NE ARG A 43 -11.862 -4.741 -9.051 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.562 -5.570 -8.372 1.00 0.00 C ATOM 652 NH1 ARG A 43 -12.895 -6.633 -8.973 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.884 -5.298 -7.180 1.00 0.00 N ATOM 0 H ARG A 43 -11.036 -1.932 -13.136 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.444 -1.253 -11.008 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.669 -3.938 -11.859 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.737 -3.872 -10.376 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.182 -2.096 -9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -12.002 -1.893 -10.991 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -13.380 -3.274 -9.441 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.912 -4.209 -10.847 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.845 -4.768 -8.985 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.605 -6.785 -9.939 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.453 -7.338 -8.491 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.586 -4.418 -6.759 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.442 -5.959 -6.639 1.00 0.00 H new ATOM 667 N SER A 44 -7.648 -3.242 -12.887 1.00 0.00 N ATOM 668 CA SER A 44 -6.216 -3.714 -13.036 1.00 0.00 C ATOM 669 C SER A 44 -5.392 -2.545 -13.622 1.00 0.00 C ATOM 670 O SER A 44 -4.388 -2.186 -13.024 1.00 0.00 O ATOM 671 CB SER A 44 -6.132 -4.942 -13.994 1.00 0.00 C ATOM 672 OG SER A 44 -6.197 -4.417 -15.317 1.00 0.00 O ATOM 0 H SER A 44 -8.265 -3.447 -13.673 1.00 0.00 H new ATOM 0 HA SER A 44 -5.827 -4.019 -12.064 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.205 -5.494 -13.839 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.952 -5.637 -13.810 1.00 0.00 H new ATOM 0 HG SER A 44 -6.146 -5.152 -15.963 1.00 0.00 H new ATOM 678 N LYS A 45 -5.822 -2.007 -14.752 1.00 0.00 N ATOM 679 CA LYS A 45 -5.141 -0.851 -15.456 1.00 0.00 C ATOM 680 C LYS A 45 -4.549 0.058 -14.381 1.00 0.00 C ATOM 681 O LYS A 45 -3.372 0.360 -14.346 1.00 0.00 O ATOM 682 CB LYS A 45 -6.225 -0.134 -16.329 1.00 0.00 C ATOM 683 CG LYS A 45 -5.620 1.113 -17.036 1.00 0.00 C ATOM 684 CD LYS A 45 -6.699 1.733 -18.000 1.00 0.00 C ATOM 685 CE LYS A 45 -6.326 3.165 -18.526 1.00 0.00 C ATOM 686 NZ LYS A 45 -5.009 3.127 -19.255 1.00 0.00 N ATOM 0 H LYS A 45 -6.656 -2.338 -15.237 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.330 -1.163 -16.113 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.617 -0.827 -17.074 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.064 0.168 -15.702 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.309 1.850 -16.296 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.730 0.831 -17.599 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.838 1.067 -18.852 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.654 1.785 -17.477 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.108 3.530 -19.192 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.267 3.863 -17.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.791 4.073 -19.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.258 2.831 -18.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.068 2.451 -20.043 1.00 0.00 H new ATOM 700 N TYR A 46 -5.435 0.462 -13.522 1.00 0.00 N ATOM 701 CA TYR A 46 -5.048 1.338 -12.396 1.00 0.00 C ATOM 702 C TYR A 46 -6.129 1.197 -11.345 1.00 0.00 C ATOM 703 O TYR A 46 -6.863 0.231 -11.320 1.00 0.00 O ATOM 704 CB TYR A 46 -4.876 2.868 -12.832 1.00 0.00 C ATOM 705 CG TYR A 46 -3.622 3.088 -13.684 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.358 2.825 -13.183 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.737 3.535 -14.977 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.234 3.003 -13.975 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.614 3.715 -15.761 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.350 3.447 -15.276 1.00 0.00 C ATOM 711 OH TYR A 46 -0.219 3.583 -16.069 1.00 0.00 O ATOM 0 H TYR A 46 -6.425 0.217 -13.555 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.073 1.034 -12.014 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.755 3.185 -13.393 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.823 3.494 -11.941 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.247 2.478 -12.166 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.714 3.748 -15.385 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.256 2.792 -13.569 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.727 4.073 -16.774 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.479 3.905 -16.957 1.00 0.00 H new ATOM 721 N GLY A 47 -6.213 2.147 -10.473 1.00 0.00 N ATOM 722 CA GLY A 47 -7.252 2.063 -9.414 1.00 0.00 C ATOM 723 C GLY A 47 -6.923 0.876 -8.519 1.00 0.00 C ATOM 724 O GLY A 47 -7.826 0.275 -7.977 1.00 0.00 O ATOM 0 H GLY A 47 -5.616 2.973 -10.442 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.276 2.984 -8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.240 1.942 -9.859 1.00 0.00 H new ATOM 728 N TRP A 48 -5.653 0.526 -8.362 1.00 0.00 N ATOM 729 CA TRP A 48 -5.317 -0.610 -7.501 1.00 0.00 C ATOM 730 C TRP A 48 -4.134 -0.572 -6.495 1.00 0.00 C ATOM 731 O TRP A 48 -3.192 -1.298 -6.632 1.00 0.00 O ATOM 732 CB TRP A 48 -5.202 -1.838 -8.485 1.00 0.00 C ATOM 733 CG TRP A 48 -5.174 -3.051 -7.578 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.082 -3.550 -6.970 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.257 -3.719 -7.179 1.00 0.00 C ATOM 736 NE1 TRP A 48 -4.614 -4.507 -6.211 1.00 0.00 N ATOM 737 CE2 TRP A 48 -5.900 -4.667 -6.281 1.00 0.00 C ATOM 738 CE3 TRP A 48 -7.562 -3.577 -7.537 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -6.792 -5.490 -5.706 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -8.495 -4.417 -6.963 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.103 -5.375 -6.043 1.00 0.00 C ATOM 0 H TRP A 48 -4.859 0.992 -8.801 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.114 -0.639 -6.758 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.047 -1.876 -9.172 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -4.299 -1.776 -9.093 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.048 -3.253 -7.071 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.037 -5.088 -5.603 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -7.861 -2.825 -8.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -6.473 -6.231 -4.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.537 -4.327 -7.233 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.837 -6.028 -5.595 1.00 0.00 H new ATOM 752 N THR A 49 -4.086 0.272 -5.512 1.00 0.00 N ATOM 753 CA THR A 49 -2.920 0.203 -4.542 1.00 0.00 C ATOM 754 C THR A 49 -3.288 0.866 -3.242 1.00 0.00 C ATOM 755 O THR A 49 -4.195 1.674 -3.180 1.00 0.00 O ATOM 756 CB THR A 49 -1.587 0.875 -5.071 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.974 2.012 -5.797 1.00 0.00 O ATOM 758 CG2 THR A 49 -0.995 0.032 -6.160 1.00 0.00 C ATOM 0 H THR A 49 -4.777 0.998 -5.323 1.00 0.00 H new ATOM 0 HA THR A 49 -2.720 -0.861 -4.414 1.00 0.00 H new ATOM 0 HB THR A 49 -0.917 1.039 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.554 2.807 -5.408 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.078 0.497 -6.522 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.769 -0.960 -5.770 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.707 -0.054 -6.981 1.00 0.00 H new ATOM 766 N ALA A 50 -2.564 0.495 -2.222 1.00 0.00 N ATOM 767 CA ALA A 50 -2.827 1.065 -0.874 1.00 0.00 C ATOM 768 C ALA A 50 -1.800 2.133 -0.455 1.00 0.00 C ATOM 769 O ALA A 50 -0.637 2.072 -0.803 1.00 0.00 O ATOM 770 CB ALA A 50 -2.833 -0.136 0.087 1.00 0.00 C ATOM 0 H ALA A 50 -1.800 -0.180 -2.266 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.778 1.598 -0.863 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.022 0.212 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.616 -0.835 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.866 -0.637 0.049 1.00 0.00 H new ATOM 776 N PHE A 51 -2.273 3.101 0.276 1.00 0.00 N ATOM 777 CA PHE A 51 -1.408 4.208 0.771 1.00 0.00 C ATOM 778 C PHE A 51 -1.507 4.300 2.312 1.00 0.00 C ATOM 779 O PHE A 51 -2.540 4.059 2.904 1.00 0.00 O ATOM 780 CB PHE A 51 -1.891 5.541 0.090 1.00 0.00 C ATOM 781 CG PHE A 51 -3.294 5.932 0.594 1.00 0.00 C ATOM 782 CD1 PHE A 51 -3.448 6.716 1.726 1.00 0.00 C ATOM 783 CD2 PHE A 51 -4.421 5.498 -0.069 1.00 0.00 C ATOM 784 CE1 PHE A 51 -4.707 7.057 2.185 1.00 0.00 C ATOM 785 CE2 PHE A 51 -5.678 5.836 0.389 1.00 0.00 C ATOM 786 CZ PHE A 51 -5.825 6.616 1.514 1.00 0.00 C ATOM 0 H PHE A 51 -3.250 3.173 0.559 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.363 4.028 0.518 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.185 6.343 0.306 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.910 5.416 -0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.574 7.065 2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.320 4.888 -0.955 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.813 7.669 3.069 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.553 5.486 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.811 6.880 1.868 1.00 0.00 H new ATOM 796 N CYS A 52 -0.411 4.644 2.919 1.00 0.00 N ATOM 797 CA CYS A 52 -0.369 4.790 4.413 1.00 0.00 C ATOM 798 C CYS A 52 -0.724 6.251 4.726 1.00 0.00 C ATOM 799 O CYS A 52 -1.394 6.572 5.684 1.00 0.00 O ATOM 800 CB CYS A 52 1.052 4.445 4.907 1.00 0.00 C ATOM 801 SG CYS A 52 1.577 2.735 4.666 1.00 0.00 S ATOM 0 H CYS A 52 0.473 4.834 2.446 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.070 4.121 4.912 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.761 5.098 4.398 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.112 4.677 5.970 1.00 0.00 H new ATOM 806 N GLY A 53 -0.233 7.090 3.854 1.00 0.00 N ATOM 807 CA GLY A 53 -0.428 8.581 3.918 1.00 0.00 C ATOM 808 C GLY A 53 0.835 9.355 4.323 1.00 0.00 C ATOM 809 O GLY A 53 0.727 10.359 4.996 1.00 0.00 O ATOM 0 H GLY A 53 0.326 6.791 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.764 8.936 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.223 8.804 4.630 1.00 0.00 H new ATOM 813 N PRO A 54 1.999 8.910 3.910 1.00 0.00 N ATOM 814 CA PRO A 54 3.278 9.368 4.527 1.00 0.00 C ATOM 815 C PRO A 54 3.536 10.880 4.410 1.00 0.00 C ATOM 816 O PRO A 54 3.694 11.571 5.394 1.00 0.00 O ATOM 817 CB PRO A 54 4.332 8.493 3.823 1.00 0.00 C ATOM 818 CG PRO A 54 3.693 8.223 2.434 1.00 0.00 C ATOM 819 CD PRO A 54 2.237 7.936 2.803 1.00 0.00 C ATOM 0 HA PRO A 54 3.284 9.245 5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.289 9.008 3.734 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.517 7.568 4.368 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.784 9.082 1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.160 7.378 1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.563 8.101 1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.094 6.906 3.128 1.00 0.00 H new ATOM 827 N ALA A 55 3.587 11.361 3.197 1.00 0.00 N ATOM 828 CA ALA A 55 3.838 12.827 3.002 1.00 0.00 C ATOM 829 C ALA A 55 3.037 13.518 1.854 1.00 0.00 C ATOM 830 O ALA A 55 3.541 13.649 0.757 1.00 0.00 O ATOM 831 CB ALA A 55 5.379 12.933 2.822 1.00 0.00 C ATOM 0 H ALA A 55 3.469 10.817 2.343 1.00 0.00 H new ATOM 0 HA ALA A 55 3.467 13.384 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.657 13.976 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 55 5.877 12.549 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.685 12.348 1.955 1.00 0.00 H new ATOM 837 N GLY A 56 1.827 13.957 2.088 1.00 0.00 N ATOM 838 CA GLY A 56 1.035 14.633 0.985 1.00 0.00 C ATOM 839 C GLY A 56 -0.480 14.353 0.972 1.00 0.00 C ATOM 840 O GLY A 56 -0.929 13.310 1.417 1.00 0.00 O ATOM 0 H GLY A 56 1.345 13.883 2.984 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.185 15.710 1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.450 14.324 0.025 1.00 0.00 H new ATOM 844 N PRO A 57 -1.223 15.308 0.444 1.00 0.00 N ATOM 845 CA PRO A 57 -2.692 15.472 0.690 1.00 0.00 C ATOM 846 C PRO A 57 -3.514 14.343 0.051 1.00 0.00 C ATOM 847 O PRO A 57 -3.792 14.323 -1.131 1.00 0.00 O ATOM 848 CB PRO A 57 -2.986 16.862 0.112 1.00 0.00 C ATOM 849 CG PRO A 57 -2.010 16.892 -1.101 1.00 0.00 C ATOM 850 CD PRO A 57 -0.722 16.364 -0.479 1.00 0.00 C ATOM 0 HA PRO A 57 -2.970 15.404 1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.027 16.970 -0.193 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.779 17.658 0.827 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.357 16.262 -1.920 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.888 17.898 -1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.044 15.959 -1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.178 17.144 0.053 1.00 0.00 H new ATOM 858 N ARG A 58 -3.884 13.410 0.876 1.00 0.00 N ATOM 859 CA ARG A 58 -4.688 12.244 0.406 1.00 0.00 C ATOM 860 C ARG A 58 -5.646 11.644 1.457 1.00 0.00 C ATOM 861 O ARG A 58 -5.613 12.026 2.613 1.00 0.00 O ATOM 862 CB ARG A 58 -3.585 11.284 -0.125 1.00 0.00 C ATOM 863 CG ARG A 58 -3.516 9.916 0.568 1.00 0.00 C ATOM 864 CD ARG A 58 -3.219 10.046 2.097 1.00 0.00 C ATOM 865 NE ARG A 58 -2.349 11.252 2.404 1.00 0.00 N ATOM 866 CZ ARG A 58 -2.264 11.730 3.586 1.00 0.00 C ATOM 867 NH1 ARG A 58 -3.309 12.192 4.148 1.00 0.00 N ATOM 868 NH2 ARG A 58 -1.131 11.716 4.142 1.00 0.00 N ATOM 0 H ARG A 58 -3.662 13.402 1.872 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.420 12.506 -0.358 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.748 11.125 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.618 11.775 -0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.460 9.390 0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.740 9.311 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.158 10.127 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.723 9.141 2.449 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.821 11.690 1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.202 12.178 3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.253 12.576 5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.325 11.332 3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.021 12.088 5.085 1.00 0.00 H new ATOM 882 N GLY A 59 -6.439 10.706 1.012 1.00 0.00 N ATOM 883 CA GLY A 59 -7.457 9.991 1.862 1.00 0.00 C ATOM 884 C GLY A 59 -8.750 9.794 1.055 1.00 0.00 C ATOM 885 O GLY A 59 -8.723 9.143 0.031 1.00 0.00 O ATOM 0 H GLY A 59 -6.426 10.386 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.065 9.026 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.663 10.567 2.764 1.00 0.00 H new ATOM 889 N GLN A 60 -9.841 10.354 1.512 1.00 0.00 N ATOM 890 CA GLN A 60 -11.137 10.191 0.767 1.00 0.00 C ATOM 891 C GLN A 60 -11.074 10.780 -0.668 1.00 0.00 C ATOM 892 O GLN A 60 -11.207 10.086 -1.659 1.00 0.00 O ATOM 893 CB GLN A 60 -12.255 10.891 1.590 1.00 0.00 C ATOM 894 CG GLN A 60 -12.342 10.285 3.032 1.00 0.00 C ATOM 895 CD GLN A 60 -13.454 10.968 3.837 1.00 0.00 C ATOM 896 OE1 GLN A 60 -13.235 11.748 4.738 1.00 0.00 O ATOM 897 NE2 GLN A 60 -14.685 10.713 3.555 1.00 0.00 N ATOM 0 H GLN A 60 -9.896 10.914 2.363 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.345 9.127 0.653 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.053 11.960 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.213 10.776 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.535 9.214 2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.387 10.409 3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.912 10.062 2.803 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.433 11.162 4.083 1.00 0.00 H new ATOM 906 N ALA A 61 -10.834 12.060 -0.772 1.00 0.00 N ATOM 907 CA ALA A 61 -10.762 12.704 -2.126 1.00 0.00 C ATOM 908 C ALA A 61 -9.432 12.407 -2.880 1.00 0.00 C ATOM 909 O ALA A 61 -8.908 13.195 -3.644 1.00 0.00 O ATOM 910 CB ALA A 61 -10.982 14.212 -1.872 1.00 0.00 C ATOM 0 H ALA A 61 -10.684 12.690 0.016 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.522 12.296 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.943 14.750 -2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.957 14.364 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.202 14.587 -1.209 1.00 0.00 H new ATOM 916 N ALA A 62 -8.928 11.229 -2.634 1.00 0.00 N ATOM 917 CA ALA A 62 -7.669 10.757 -3.267 1.00 0.00 C ATOM 918 C ALA A 62 -8.010 9.555 -4.162 1.00 0.00 C ATOM 919 O ALA A 62 -7.278 9.280 -5.087 1.00 0.00 O ATOM 920 CB ALA A 62 -6.702 10.387 -2.151 1.00 0.00 C ATOM 0 H ALA A 62 -9.354 10.554 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.201 11.520 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.765 10.036 -2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.510 11.263 -1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.138 9.598 -1.539 1.00 0.00 H new ATOM 926 N CYS A 63 -9.093 8.881 -3.850 1.00 0.00 N ATOM 927 CA CYS A 63 -9.570 7.686 -4.631 1.00 0.00 C ATOM 928 C CYS A 63 -9.569 7.996 -6.150 1.00 0.00 C ATOM 929 O CYS A 63 -10.522 8.499 -6.719 1.00 0.00 O ATOM 930 CB CYS A 63 -10.988 7.340 -4.130 1.00 0.00 C ATOM 931 SG CYS A 63 -11.779 5.852 -4.795 1.00 0.00 S ATOM 0 H CYS A 63 -9.689 9.118 -3.057 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.905 6.835 -4.480 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.945 7.240 -3.045 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.636 8.189 -4.346 1.00 0.00 H new ATOM 936 N GLY A 64 -8.470 7.675 -6.771 1.00 0.00 N ATOM 937 CA GLY A 64 -8.348 7.941 -8.245 1.00 0.00 C ATOM 938 C GLY A 64 -7.023 8.597 -8.591 1.00 0.00 C ATOM 939 O GLY A 64 -6.728 8.736 -9.760 1.00 0.00 O ATOM 0 H GLY A 64 -7.655 7.244 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.444 7.004 -8.793 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.167 8.584 -8.568 1.00 0.00 H new ATOM 943 N LYS A 65 -6.279 9.001 -7.594 1.00 0.00 N ATOM 944 CA LYS A 65 -4.950 9.641 -7.843 1.00 0.00 C ATOM 945 C LYS A 65 -3.992 8.442 -7.951 1.00 0.00 C ATOM 946 O LYS A 65 -4.313 7.344 -7.530 1.00 0.00 O ATOM 947 CB LYS A 65 -4.507 10.514 -6.634 1.00 0.00 C ATOM 948 CG LYS A 65 -5.509 11.646 -6.380 1.00 0.00 C ATOM 949 CD LYS A 65 -5.037 12.499 -5.168 1.00 0.00 C ATOM 950 CE LYS A 65 -3.848 13.424 -5.472 1.00 0.00 C ATOM 951 NZ LYS A 65 -4.307 14.456 -6.449 1.00 0.00 N ATOM 0 H LYS A 65 -6.536 8.915 -6.611 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.969 10.289 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.422 9.892 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.519 10.933 -6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.597 12.273 -7.267 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.498 11.232 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.873 13.104 -4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.763 11.830 -4.352 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.489 13.897 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.016 12.853 -5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.636 15.250 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.357 14.036 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.249 14.801 -6.173 1.00 0.00 H new ATOM 965 N CYS A 66 -2.837 8.666 -8.507 1.00 0.00 N ATOM 966 CA CYS A 66 -1.850 7.559 -8.645 1.00 0.00 C ATOM 967 C CYS A 66 -0.500 7.917 -7.957 1.00 0.00 C ATOM 968 O CYS A 66 -0.226 9.058 -7.642 1.00 0.00 O ATOM 969 CB CYS A 66 -1.782 7.358 -10.152 1.00 0.00 C ATOM 970 SG CYS A 66 -3.381 6.943 -10.885 1.00 0.00 S ATOM 0 H CYS A 66 -2.532 9.568 -8.873 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.125 6.632 -8.143 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.401 8.267 -10.617 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.070 6.564 -10.375 1.00 0.00 H new ATOM 975 N LEU A 67 0.336 6.953 -7.715 1.00 0.00 N ATOM 976 CA LEU A 67 1.668 7.221 -7.051 1.00 0.00 C ATOM 977 C LEU A 67 2.777 6.803 -8.027 1.00 0.00 C ATOM 978 O LEU A 67 2.795 5.660 -8.431 1.00 0.00 O ATOM 979 CB LEU A 67 1.725 6.390 -5.722 1.00 0.00 C ATOM 980 CG LEU A 67 1.777 7.304 -4.483 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.627 6.437 -3.217 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.137 7.988 -4.388 1.00 0.00 C ATOM 0 H LEU A 67 0.165 5.974 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 67 1.799 8.275 -6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.851 5.742 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.602 5.743 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 67 0.981 8.044 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.662 7.074 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.673 5.911 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.440 5.712 -3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.160 8.631 -3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.919 7.233 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.305 8.589 -5.281 1.00 0.00 H new ATOM 994 N ARG A 68 3.677 7.670 -8.391 1.00 0.00 N ATOM 995 CA ARG A 68 4.729 7.218 -9.350 1.00 0.00 C ATOM 996 C ARG A 68 5.858 6.715 -8.468 1.00 0.00 C ATOM 997 O ARG A 68 6.256 7.413 -7.557 1.00 0.00 O ATOM 998 CB ARG A 68 5.147 8.427 -10.227 1.00 0.00 C ATOM 999 CG ARG A 68 6.339 8.071 -11.155 1.00 0.00 C ATOM 1000 CD ARG A 68 6.505 9.217 -12.164 1.00 0.00 C ATOM 1001 NE ARG A 68 7.629 8.857 -13.094 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.546 9.690 -13.392 1.00 0.00 C ATOM 1003 NH1 ARG A 68 8.271 10.485 -14.346 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.646 9.667 -12.743 1.00 0.00 N ATOM 0 H ARG A 68 3.735 8.640 -8.081 1.00 0.00 H new ATOM 0 HA ARG A 68 4.407 6.435 -10.036 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.299 8.751 -10.830 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.421 9.265 -9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.251 7.939 -10.573 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.153 7.130 -11.673 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.582 9.369 -12.723 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.723 10.152 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 68 7.659 7.921 -13.498 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.367 10.426 -14.814 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.955 11.181 -14.643 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.783 8.987 -11.995 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.387 10.329 -12.972 1.00 0.00 H new ATOM 1018 N VAL A 69 6.332 5.537 -8.772 1.00 0.00 N ATOM 1019 CA VAL A 69 7.442 4.908 -7.991 1.00 0.00 C ATOM 1020 C VAL A 69 8.591 4.614 -8.943 1.00 0.00 C ATOM 1021 O VAL A 69 8.418 4.059 -10.013 1.00 0.00 O ATOM 1022 CB VAL A 69 6.978 3.579 -7.342 1.00 0.00 C ATOM 1023 CG1 VAL A 69 8.135 2.960 -6.495 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.787 3.865 -6.431 1.00 0.00 C ATOM 0 H VAL A 69 5.989 4.969 -9.547 1.00 0.00 H new ATOM 0 HA VAL A 69 7.752 5.591 -7.200 1.00 0.00 H new ATOM 0 HB VAL A 69 6.696 2.875 -8.125 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.797 2.027 -6.044 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.992 2.762 -7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.425 3.658 -5.710 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.452 2.937 -5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.084 4.571 -5.655 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.974 4.292 -7.018 1.00 0.00 H new ATOM 1034 N THR A 70 9.736 5.020 -8.479 1.00 0.00 N ATOM 1035 CA THR A 70 11.031 4.851 -9.216 1.00 0.00 C ATOM 1036 C THR A 70 12.007 4.004 -8.376 1.00 0.00 C ATOM 1037 O THR A 70 12.033 4.146 -7.163 1.00 0.00 O ATOM 1038 CB THR A 70 11.611 6.226 -9.455 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.764 6.815 -10.436 1.00 0.00 O ATOM 1040 CG2 THR A 70 13.024 6.130 -10.065 1.00 0.00 C ATOM 0 H THR A 70 9.838 5.485 -7.577 1.00 0.00 H new ATOM 0 HA THR A 70 10.865 4.340 -10.165 1.00 0.00 H new ATOM 0 HB THR A 70 11.674 6.788 -8.523 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.082 7.719 -10.642 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.419 7.133 -10.227 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.679 5.588 -9.383 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.974 5.601 -11.017 1.00 0.00 H new ATOM 1048 N ASN A 71 12.779 3.169 -9.028 1.00 0.00 N ATOM 1049 CA ASN A 71 13.781 2.275 -8.353 1.00 0.00 C ATOM 1050 C ASN A 71 15.301 2.521 -8.692 1.00 0.00 C ATOM 1051 O ASN A 71 15.866 1.807 -9.502 1.00 0.00 O ATOM 1052 CB ASN A 71 13.320 0.869 -8.739 1.00 0.00 C ATOM 1053 CG ASN A 71 14.124 -0.187 -8.009 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.051 0.087 -7.275 1.00 0.00 O ATOM 1055 ND2 ASN A 71 13.834 -1.435 -8.156 1.00 0.00 N ATOM 0 H ASN A 71 12.756 3.065 -10.042 1.00 0.00 H new ATOM 0 HA ASN A 71 13.786 2.472 -7.281 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.262 0.752 -8.504 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.425 0.731 -9.815 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.376 -2.146 -7.665 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.063 -1.711 -8.763 1.00 0.00 H new ATOM 1062 N PRO A 72 15.943 3.503 -8.079 1.00 0.00 N ATOM 1063 CA PRO A 72 17.355 3.917 -8.408 1.00 0.00 C ATOM 1064 C PRO A 72 18.341 2.765 -8.665 1.00 0.00 C ATOM 1065 O PRO A 72 19.300 2.904 -9.397 1.00 0.00 O ATOM 1066 CB PRO A 72 17.751 4.802 -7.225 1.00 0.00 C ATOM 1067 CG PRO A 72 16.412 5.492 -6.909 1.00 0.00 C ATOM 1068 CD PRO A 72 15.387 4.338 -6.975 1.00 0.00 C ATOM 0 HA PRO A 72 17.397 4.434 -9.366 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.123 4.220 -6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.531 5.517 -7.488 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.425 5.962 -5.925 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.183 6.274 -7.633 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.328 3.788 -6.036 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.382 4.695 -7.198 1.00 0.00 H new ATOM 1076 N ALA A 73 18.068 1.653 -8.034 1.00 0.00 N ATOM 1077 CA ALA A 73 18.917 0.428 -8.170 1.00 0.00 C ATOM 1078 C ALA A 73 18.974 -0.043 -9.642 1.00 0.00 C ATOM 1079 O ALA A 73 19.996 -0.494 -10.119 1.00 0.00 O ATOM 1080 CB ALA A 73 18.309 -0.664 -7.274 1.00 0.00 C ATOM 0 H ALA A 73 17.268 1.539 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 73 19.940 0.645 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.907 -1.572 -7.351 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.300 -0.322 -6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.289 -0.873 -7.596 1.00 0.00 H new ATOM 1086 N THR A 74 17.852 0.077 -10.307 1.00 0.00 N ATOM 1087 CA THR A 74 17.745 -0.340 -11.756 1.00 0.00 C ATOM 1088 C THR A 74 17.584 0.889 -12.640 1.00 0.00 C ATOM 1089 O THR A 74 18.130 0.997 -13.721 1.00 0.00 O ATOM 1090 CB THR A 74 16.504 -1.275 -11.974 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.338 -0.554 -11.583 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.524 -2.435 -10.984 1.00 0.00 C ATOM 0 H THR A 74 16.990 0.450 -9.910 1.00 0.00 H new ATOM 0 HA THR A 74 18.656 -0.877 -12.020 1.00 0.00 H new ATOM 0 HB THR A 74 16.518 -1.608 -13.012 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.677 -1.176 -11.213 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.655 -3.072 -11.152 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.434 -3.018 -11.125 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.497 -2.045 -9.966 1.00 0.00 H new ATOM 1100 N GLY A 75 16.798 1.780 -12.113 1.00 0.00 N ATOM 1101 CA GLY A 75 16.476 3.074 -12.786 1.00 0.00 C ATOM 1102 C GLY A 75 15.078 2.955 -13.366 1.00 0.00 C ATOM 1103 O GLY A 75 14.569 3.891 -13.950 1.00 0.00 O ATOM 0 H GLY A 75 16.345 1.663 -11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.526 3.898 -12.075 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.200 3.287 -13.573 1.00 0.00 H new ATOM 1107 N ALA A 76 14.472 1.810 -13.176 1.00 0.00 N ATOM 1108 CA ALA A 76 13.103 1.610 -13.727 1.00 0.00 C ATOM 1109 C ALA A 76 12.065 2.337 -12.877 1.00 0.00 C ATOM 1110 O ALA A 76 12.282 2.711 -11.737 1.00 0.00 O ATOM 1111 CB ALA A 76 12.814 0.093 -13.762 1.00 0.00 C ATOM 0 H ALA A 76 14.862 1.016 -12.669 1.00 0.00 H new ATOM 0 HA ALA A 76 13.045 2.023 -14.734 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.815 -0.078 -14.163 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.549 -0.403 -14.396 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.874 -0.312 -12.752 1.00 0.00 H new ATOM 1117 N GLN A 77 10.941 2.528 -13.495 1.00 0.00 N ATOM 1118 CA GLN A 77 9.818 3.222 -12.813 1.00 0.00 C ATOM 1119 C GLN A 77 8.489 2.557 -13.206 1.00 0.00 C ATOM 1120 O GLN A 77 8.369 1.936 -14.247 1.00 0.00 O ATOM 1121 CB GLN A 77 9.783 4.713 -13.238 1.00 0.00 C ATOM 1122 CG GLN A 77 11.158 5.439 -13.099 1.00 0.00 C ATOM 1123 CD GLN A 77 11.051 6.922 -13.492 1.00 0.00 C ATOM 1124 OE1 GLN A 77 11.839 7.782 -13.163 1.00 0.00 O ATOM 1125 NE2 GLN A 77 10.067 7.317 -14.230 1.00 0.00 N ATOM 0 H GLN A 77 10.748 2.231 -14.452 1.00 0.00 H new ATOM 0 HA GLN A 77 9.961 3.155 -11.735 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.451 4.778 -14.274 1.00 0.00 H new ATOM 0 HB3 GLN A 77 9.043 5.237 -12.633 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.512 5.358 -12.071 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.897 4.946 -13.730 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.365 6.648 -14.545 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.992 8.298 -14.498 1.00 0.00 H new ATOM 1134 N ILE A 78 7.546 2.722 -12.325 1.00 0.00 N ATOM 1135 CA ILE A 78 6.164 2.185 -12.482 1.00 0.00 C ATOM 1136 C ILE A 78 5.151 3.197 -11.859 1.00 0.00 C ATOM 1137 O ILE A 78 5.571 4.139 -11.204 1.00 0.00 O ATOM 1138 CB ILE A 78 6.204 0.814 -11.790 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.280 -0.163 -12.537 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.792 0.874 -10.304 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.962 -0.611 -13.874 1.00 0.00 C ATOM 0 H ILE A 78 7.685 3.236 -11.455 1.00 0.00 H new ATOM 0 HA ILE A 78 5.835 2.060 -13.514 1.00 0.00 H new ATOM 0 HB ILE A 78 7.238 0.471 -11.821 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.073 -1.033 -11.913 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.323 0.314 -12.747 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.841 -0.126 -9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.470 1.536 -9.765 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.774 1.254 -10.224 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.307 -1.303 -14.403 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.147 0.263 -14.499 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.908 -1.105 -13.652 1.00 0.00 H new ATOM 1153 N THR A 79 3.869 2.990 -12.060 1.00 0.00 N ATOM 1154 CA THR A 79 2.821 3.926 -11.488 1.00 0.00 C ATOM 1155 C THR A 79 1.697 3.211 -10.715 1.00 0.00 C ATOM 1156 O THR A 79 0.991 2.375 -11.252 1.00 0.00 O ATOM 1157 CB THR A 79 2.178 4.741 -12.636 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.192 5.648 -13.038 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.066 5.667 -12.120 1.00 0.00 C ATOM 0 H THR A 79 3.493 2.210 -12.598 1.00 0.00 H new ATOM 0 HA THR A 79 3.345 4.565 -10.777 1.00 0.00 H new ATOM 0 HB THR A 79 1.791 4.059 -13.393 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.860 6.206 -13.772 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.639 6.223 -12.955 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.287 5.071 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.482 6.366 -11.394 1.00 0.00 H new ATOM 1167 N ALA A 80 1.502 3.519 -9.461 1.00 0.00 N ATOM 1168 CA ALA A 80 0.413 2.845 -8.685 1.00 0.00 C ATOM 1169 C ALA A 80 -0.839 3.675 -8.565 1.00 0.00 C ATOM 1170 O ALA A 80 -0.855 4.839 -8.892 1.00 0.00 O ATOM 1171 CB ALA A 80 0.840 2.531 -7.295 1.00 0.00 C ATOM 0 H ALA A 80 2.046 4.206 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 80 0.203 1.939 -9.254 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.022 2.043 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.704 1.866 -7.321 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.107 3.453 -6.779 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.828 2.981 -8.081 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.159 3.519 -7.879 1.00 0.00 C ATOM 1179 C ARG A 81 -3.658 3.894 -6.455 1.00 0.00 C ATOM 1180 O ARG A 81 -4.382 3.100 -5.874 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.836 2.442 -8.525 1.00 0.00 C ATOM 1182 CG ARG A 81 -3.186 2.011 -9.921 1.00 0.00 C ATOM 1183 CD ARG A 81 -3.000 0.472 -9.969 1.00 0.00 C ATOM 1184 NE ARG A 81 -2.048 0.056 -11.078 1.00 0.00 N ATOM 1185 CZ ARG A 81 -1.165 -0.813 -10.749 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -1.537 -2.018 -10.883 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -0.023 -0.471 -10.307 1.00 0.00 N ATOM 0 H ARG A 81 -1.738 2.003 -7.807 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.300 4.534 -8.250 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.845 1.580 -7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.875 2.727 -8.692 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.824 2.334 -10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -2.224 2.506 -10.051 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.618 0.121 -9.010 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.967 -0.007 -10.121 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.108 0.442 -12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.474 -2.227 -11.229 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.900 -2.778 -10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.210 0.517 -10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.660 -1.185 -10.053 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.270 5.027 -5.929 1.00 0.00 N ATOM 1202 CA ILE A 82 -3.736 5.457 -4.546 1.00 0.00 C ATOM 1203 C ILE A 82 -5.254 5.159 -4.315 1.00 0.00 C ATOM 1204 O ILE A 82 -6.102 5.956 -4.677 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.483 7.009 -4.348 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -1.962 7.343 -4.379 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.027 7.431 -2.948 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -1.769 8.888 -4.512 1.00 0.00 C ATOM 0 H ILE A 82 -2.645 5.688 -6.391 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.161 4.881 -3.821 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.986 7.540 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.481 6.983 -3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.484 6.833 -5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.859 8.498 -2.799 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.095 7.221 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.507 6.870 -2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.704 9.121 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.235 9.235 -5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.233 9.387 -3.661 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.579 4.024 -3.743 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.029 3.661 -3.477 1.00 0.00 C ATOM 1222 C VAL A 83 -7.358 3.129 -2.059 1.00 0.00 C ATOM 1223 O VAL A 83 -8.264 3.584 -1.386 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.449 2.604 -4.533 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -8.814 1.951 -4.180 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -7.600 3.294 -5.903 1.00 0.00 C ATOM 0 H VAL A 83 -4.904 3.321 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.590 4.593 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.680 1.832 -4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.074 1.217 -4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.741 1.458 -3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.585 2.720 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.895 2.558 -6.651 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.362 4.070 -5.837 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.649 3.743 -6.191 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.584 2.165 -1.668 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.750 1.503 -0.336 1.00 0.00 C ATOM 1238 C ASP A 84 -5.831 2.087 0.760 1.00 0.00 C ATOM 1239 O ASP A 84 -4.970 2.896 0.495 1.00 0.00 O ATOM 1240 CB ASP A 84 -6.488 0.008 -0.656 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.586 -0.948 0.527 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.371 -0.648 1.407 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -5.879 -1.938 0.471 1.00 0.00 O ATOM 0 H ASP A 84 -5.818 1.792 -2.228 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.736 1.665 0.100 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.199 -0.312 -1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.493 -0.082 -1.091 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.012 1.665 1.980 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.166 2.179 3.110 1.00 0.00 C ATOM 1250 C GLN A 85 -4.208 1.065 3.579 1.00 0.00 C ATOM 1251 O GLN A 85 -4.364 -0.100 3.270 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.115 2.631 4.258 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.306 3.134 5.505 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.249 3.751 6.522 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -6.688 4.872 6.404 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -6.612 3.068 7.553 1.00 0.00 N ATOM 0 H GLN A 85 -6.716 0.979 2.252 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.561 3.028 2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.768 3.427 3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.757 1.800 4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.764 2.303 5.957 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.562 3.868 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.262 2.119 7.685 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.250 3.476 8.237 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.214 1.442 4.334 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.233 0.408 4.827 1.00 0.00 C ATOM 1267 C CYS A 86 -2.348 0.092 6.346 1.00 0.00 C ATOM 1268 O CYS A 86 -2.921 0.839 7.115 1.00 0.00 O ATOM 1269 CB CYS A 86 -0.817 0.927 4.473 1.00 0.00 C ATOM 1270 SG CYS A 86 0.168 1.764 5.739 1.00 0.00 S ATOM 0 H CYS A 86 -3.032 2.400 4.632 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.453 -0.541 4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.237 0.076 4.118 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -0.922 1.614 3.633 1.00 0.00 H new ATOM 1275 N ALA A 87 -1.775 -1.027 6.714 1.00 0.00 N ATOM 1276 CA ALA A 87 -1.774 -1.514 8.139 1.00 0.00 C ATOM 1277 C ALA A 87 -0.340 -1.579 8.733 1.00 0.00 C ATOM 1278 O ALA A 87 -0.003 -0.830 9.626 1.00 0.00 O ATOM 1279 CB ALA A 87 -2.453 -2.907 8.135 1.00 0.00 C ATOM 0 H ALA A 87 -1.290 -1.648 6.066 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.319 -0.819 8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.476 -3.303 9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.472 -2.814 7.758 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.889 -3.585 7.494 1.00 0.00 H new ATOM 1285 N ASN A 88 0.452 -2.483 8.217 1.00 0.00 N ATOM 1286 CA ASN A 88 1.874 -2.673 8.674 1.00 0.00 C ATOM 1287 C ASN A 88 2.797 -2.803 7.429 1.00 0.00 C ATOM 1288 O ASN A 88 3.490 -3.771 7.194 1.00 0.00 O ATOM 1289 CB ASN A 88 1.874 -3.931 9.612 1.00 0.00 C ATOM 1290 CG ASN A 88 1.090 -5.102 9.037 1.00 0.00 C ATOM 1291 OD1 ASN A 88 1.527 -5.853 8.202 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -0.111 -5.319 9.447 1.00 0.00 N ATOM 0 H ASN A 88 0.168 -3.121 7.473 1.00 0.00 H new ATOM 0 HA ASN A 88 2.265 -1.827 9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.903 -4.243 9.792 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.450 -3.657 10.578 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.647 -6.099 9.066 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -0.526 -4.711 10.153 1.00 0.00 H new ATOM 1299 N GLY A 89 2.743 -1.744 6.666 1.00 0.00 N ATOM 1300 CA GLY A 89 3.535 -1.609 5.391 1.00 0.00 C ATOM 1301 C GLY A 89 2.554 -1.388 4.230 1.00 0.00 C ATOM 1302 O GLY A 89 1.377 -1.651 4.384 1.00 0.00 O ATOM 0 H GLY A 89 2.162 -0.932 6.877 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.231 -0.773 5.464 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.131 -2.505 5.218 1.00 0.00 H new ATOM 1306 N GLY A 90 3.034 -0.914 3.111 1.00 0.00 N ATOM 1307 CA GLY A 90 2.131 -0.671 1.939 1.00 0.00 C ATOM 1308 C GLY A 90 2.812 -1.117 0.660 1.00 0.00 C ATOM 1309 O GLY A 90 3.978 -1.455 0.687 1.00 0.00 O ATOM 0 H GLY A 90 4.015 -0.683 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.195 -1.214 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.879 0.388 1.877 1.00 0.00 H new ATOM 1313 N LEU A 91 2.039 -1.077 -0.397 1.00 0.00 N ATOM 1314 CA LEU A 91 2.520 -1.475 -1.770 1.00 0.00 C ATOM 1315 C LEU A 91 2.463 -3.027 -1.935 1.00 0.00 C ATOM 1316 O LEU A 91 3.375 -3.637 -2.461 1.00 0.00 O ATOM 1317 CB LEU A 91 4.013 -0.933 -1.994 1.00 0.00 C ATOM 1318 CG LEU A 91 4.181 0.584 -1.578 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.552 1.133 -2.009 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.089 1.473 -2.172 1.00 0.00 C ATOM 0 H LEU A 91 1.065 -0.777 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 91 1.869 -1.031 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.707 -1.543 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.284 -1.050 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 91 4.099 0.608 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.636 2.177 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.342 0.553 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.650 1.058 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.248 2.504 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.125 1.416 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.114 1.134 -1.823 1.00 0.00 H new ATOM 1332 N ASP A 92 1.375 -3.606 -1.482 1.00 0.00 N ATOM 1333 CA ASP A 92 1.177 -5.086 -1.565 1.00 0.00 C ATOM 1334 C ASP A 92 0.114 -5.618 -2.578 1.00 0.00 C ATOM 1335 O ASP A 92 0.340 -6.649 -3.170 1.00 0.00 O ATOM 1336 CB ASP A 92 0.833 -5.555 -0.121 1.00 0.00 C ATOM 1337 CG ASP A 92 -0.504 -4.988 0.404 1.00 0.00 C ATOM 1338 OD1 ASP A 92 -0.919 -3.955 -0.108 1.00 0.00 O ATOM 1339 OD2 ASP A 92 -1.021 -5.642 1.296 1.00 0.00 O ATOM 0 H ASP A 92 0.601 -3.102 -1.049 1.00 0.00 H new ATOM 0 HA ASP A 92 2.100 -5.503 -1.967 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.791 -6.644 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.636 -5.255 0.552 1.00 0.00 H new ATOM 1344 N LEU A 93 -0.998 -4.932 -2.756 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.160 -5.242 -3.657 1.00 0.00 C ATOM 1346 C LEU A 93 -1.873 -5.839 -5.052 1.00 0.00 C ATOM 1347 O LEU A 93 -2.557 -6.716 -5.540 1.00 0.00 O ATOM 1348 CB LEU A 93 -2.966 -3.891 -3.789 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.428 -3.974 -3.248 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -4.382 -4.013 -1.706 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.218 -2.692 -3.693 1.00 0.00 C ATOM 0 H LEU A 93 -1.154 -4.064 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.704 -6.061 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.433 -3.107 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.993 -3.596 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.918 -4.866 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.397 -4.071 -1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.817 -4.886 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.900 -3.109 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.240 -2.746 -3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.729 -1.805 -3.290 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.234 -2.634 -4.781 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.850 -5.265 -5.603 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.305 -5.566 -6.926 1.00 0.00 C ATOM 1365 C ASP A 94 0.715 -6.654 -6.734 1.00 0.00 C ATOM 1366 O ASP A 94 0.509 -7.797 -7.063 1.00 0.00 O ATOM 1367 CB ASP A 94 0.272 -4.210 -7.417 1.00 0.00 C ATOM 1368 CG ASP A 94 -0.637 -3.458 -8.363 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.407 -4.111 -9.039 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -0.494 -2.256 -8.384 1.00 0.00 O ATOM 0 H ASP A 94 -0.329 -4.528 -5.128 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.009 -5.936 -7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.478 -3.581 -6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.225 -4.392 -7.914 1.00 0.00 H new ATOM 1375 N TRP A 95 1.809 -6.199 -6.186 1.00 0.00 N ATOM 1376 CA TRP A 95 2.994 -7.033 -5.870 1.00 0.00 C ATOM 1377 C TRP A 95 3.671 -7.701 -7.075 1.00 0.00 C ATOM 1378 O TRP A 95 4.827 -7.434 -7.348 1.00 0.00 O ATOM 1379 CB TRP A 95 2.557 -8.104 -4.865 1.00 0.00 C ATOM 1380 CG TRP A 95 3.789 -8.973 -4.610 1.00 0.00 C ATOM 1381 CD1 TRP A 95 4.936 -8.530 -4.022 1.00 0.00 C ATOM 1382 CD2 TRP A 95 3.928 -10.267 -4.958 1.00 0.00 C ATOM 1383 NE1 TRP A 95 5.706 -9.599 -4.055 1.00 0.00 N ATOM 1384 CE2 TRP A 95 5.188 -10.696 -4.601 1.00 0.00 C ATOM 1385 CE3 TRP A 95 3.047 -11.135 -5.582 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 5.563 -11.997 -4.871 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 3.423 -12.434 -5.852 1.00 0.00 C ATOM 1388 CH2 TRP A 95 4.684 -12.866 -5.496 1.00 0.00 C ATOM 0 H TRP A 95 1.929 -5.219 -5.931 1.00 0.00 H new ATOM 0 HA TRP A 95 3.751 -6.360 -5.467 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.203 -7.649 -3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.735 -8.700 -5.263 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.158 -7.549 -3.628 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.654 -9.586 -3.680 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.061 -10.793 -5.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 6.549 -12.340 -4.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 2.735 -13.109 -6.339 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.986 -13.882 -5.705 1.00 0.00 H new ATOM 1399 N ASP A 96 2.941 -8.524 -7.775 1.00 0.00 N ATOM 1400 CA ASP A 96 3.530 -9.241 -8.967 1.00 0.00 C ATOM 1401 C ASP A 96 3.622 -8.256 -10.148 1.00 0.00 C ATOM 1402 O ASP A 96 4.432 -8.339 -11.055 1.00 0.00 O ATOM 1403 CB ASP A 96 2.619 -10.488 -9.280 1.00 0.00 C ATOM 1404 CG ASP A 96 1.230 -10.168 -9.843 1.00 0.00 C ATOM 1405 OD1 ASP A 96 0.423 -9.646 -9.093 1.00 0.00 O ATOM 1406 OD2 ASP A 96 1.070 -10.480 -11.014 1.00 0.00 O ATOM 0 H ASP A 96 1.963 -8.738 -7.582 1.00 0.00 H new ATOM 0 HA ASP A 96 4.540 -9.600 -8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.141 -11.128 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.496 -11.065 -8.363 1.00 0.00 H new ATOM 1411 N THR A 97 2.729 -7.321 -10.057 1.00 0.00 N ATOM 1412 CA THR A 97 2.568 -6.216 -11.051 1.00 0.00 C ATOM 1413 C THR A 97 3.453 -5.003 -10.638 1.00 0.00 C ATOM 1414 O THR A 97 4.035 -4.370 -11.499 1.00 0.00 O ATOM 1415 CB THR A 97 1.047 -5.822 -11.119 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.900 -4.709 -10.278 1.00 0.00 O ATOM 1417 CG2 THR A 97 0.119 -6.845 -10.395 1.00 0.00 C ATOM 0 H THR A 97 2.061 -7.271 -9.288 1.00 0.00 H new ATOM 0 HA THR A 97 2.893 -6.540 -12.040 1.00 0.00 H new ATOM 0 HB THR A 97 0.792 -5.714 -12.173 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.885 -3.891 -10.818 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.917 -6.518 -10.477 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.227 -7.826 -10.858 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.397 -6.908 -9.343 1.00 0.00 H new ATOM 1425 N VAL A 98 3.533 -4.678 -9.364 1.00 0.00 N ATOM 1426 CA VAL A 98 4.391 -3.523 -8.940 1.00 0.00 C ATOM 1427 C VAL A 98 5.853 -3.903 -8.603 1.00 0.00 C ATOM 1428 O VAL A 98 6.747 -3.724 -9.402 1.00 0.00 O ATOM 1429 CB VAL A 98 3.688 -2.819 -7.709 1.00 0.00 C ATOM 1430 CG1 VAL A 98 4.621 -1.742 -7.040 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.509 -1.996 -8.267 1.00 0.00 C ATOM 0 H VAL A 98 3.046 -5.159 -8.608 1.00 0.00 H new ATOM 0 HA VAL A 98 4.476 -2.844 -9.788 1.00 0.00 H new ATOM 0 HB VAL A 98 3.415 -3.594 -6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.101 -1.282 -6.199 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.533 -2.221 -6.684 1.00 0.00 H new ATOM 0 HG13 VAL A 98 4.875 -0.976 -7.772 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.996 -1.493 -7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.885 -1.253 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 98 1.812 -2.660 -8.778 1.00 0.00 H new ATOM 1441 N PHE A 99 6.041 -4.448 -7.431 1.00 0.00 N ATOM 1442 CA PHE A 99 7.408 -4.862 -6.913 1.00 0.00 C ATOM 1443 C PHE A 99 8.437 -5.568 -7.843 1.00 0.00 C ATOM 1444 O PHE A 99 9.403 -4.992 -8.302 1.00 0.00 O ATOM 1445 CB PHE A 99 7.155 -5.759 -5.629 1.00 0.00 C ATOM 1446 CG PHE A 99 8.407 -5.857 -4.721 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.829 -4.732 -4.040 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.127 -7.035 -4.560 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.945 -4.778 -3.215 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.233 -7.080 -3.744 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.644 -5.955 -3.071 1.00 0.00 C ATOM 0 H PHE A 99 5.282 -4.636 -6.776 1.00 0.00 H new ATOM 0 HA PHE A 99 7.915 -3.911 -6.748 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.326 -5.343 -5.056 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.857 -6.760 -5.941 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.285 -3.806 -4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.814 -7.927 -5.083 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.264 -3.892 -2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.781 -8.004 -3.632 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.513 -5.994 -2.431 1.00 0.00 H new ATOM 1461 N THR A 100 8.175 -6.810 -8.121 1.00 0.00 N ATOM 1462 CA THR A 100 9.096 -7.630 -8.999 1.00 0.00 C ATOM 1463 C THR A 100 9.285 -7.119 -10.436 1.00 0.00 C ATOM 1464 O THR A 100 9.969 -7.751 -11.220 1.00 0.00 O ATOM 1465 CB THR A 100 8.570 -9.127 -9.062 1.00 0.00 C ATOM 1466 OG1 THR A 100 8.280 -9.462 -10.402 1.00 0.00 O ATOM 1467 CG2 THR A 100 7.139 -9.242 -8.576 1.00 0.00 C ATOM 0 H THR A 100 7.355 -7.312 -7.780 1.00 0.00 H new ATOM 0 HA THR A 100 10.075 -7.548 -8.526 1.00 0.00 H new ATOM 0 HB THR A 100 9.320 -9.704 -8.522 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.957 -10.386 -10.446 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.817 -10.282 -8.635 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.077 -8.901 -7.542 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.492 -8.626 -9.200 1.00 0.00 H new ATOM 1475 N LYS A 101 8.706 -5.996 -10.763 1.00 0.00 N ATOM 1476 CA LYS A 101 8.855 -5.456 -12.148 1.00 0.00 C ATOM 1477 C LYS A 101 9.995 -4.428 -12.208 1.00 0.00 C ATOM 1478 O LYS A 101 10.706 -4.305 -13.188 1.00 0.00 O ATOM 1479 CB LYS A 101 7.548 -4.771 -12.576 1.00 0.00 C ATOM 1480 CG LYS A 101 6.375 -5.750 -12.775 1.00 0.00 C ATOM 1481 CD LYS A 101 6.641 -6.690 -13.984 1.00 0.00 C ATOM 1482 CE LYS A 101 5.317 -7.345 -14.411 1.00 0.00 C ATOM 1483 NZ LYS A 101 4.882 -8.324 -13.365 1.00 0.00 N ATOM 0 H LYS A 101 8.137 -5.429 -10.134 1.00 0.00 H new ATOM 0 HA LYS A 101 9.084 -6.285 -12.818 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.271 -4.033 -11.823 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.719 -4.229 -13.506 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.233 -6.343 -11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.453 -5.192 -12.938 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.066 -6.125 -14.814 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.369 -7.455 -13.713 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.551 -6.583 -14.551 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.442 -7.851 -15.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.954 -8.716 -13.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 5.578 -9.094 -13.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.812 -7.842 -12.446 1.00 0.00 H new ATOM 1497 N ILE A 102 10.159 -3.712 -11.131 1.00 0.00 N ATOM 1498 CA ILE A 102 11.241 -2.678 -11.092 1.00 0.00 C ATOM 1499 C ILE A 102 12.577 -3.259 -10.582 1.00 0.00 C ATOM 1500 O ILE A 102 13.559 -2.538 -10.539 1.00 0.00 O ATOM 1501 CB ILE A 102 10.718 -1.490 -10.189 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.311 -2.004 -8.761 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.497 -0.825 -10.894 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.614 -0.917 -7.907 1.00 0.00 C ATOM 0 H ILE A 102 9.599 -3.793 -10.282 1.00 0.00 H new ATOM 0 HA ILE A 102 11.457 -2.316 -12.097 1.00 0.00 H new ATOM 0 HB ILE A 102 11.516 -0.759 -10.061 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.645 -2.860 -8.865 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.201 -2.354 -8.239 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.126 -0.003 -10.281 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.803 -0.442 -11.868 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.707 -1.564 -11.027 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.356 -1.330 -6.932 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.287 -0.070 -7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.707 -0.584 -8.411 1.00 0.00 H new ATOM 1516 N ASP A 103 12.533 -4.526 -10.247 1.00 0.00 N ATOM 1517 CA ASP A 103 13.690 -5.325 -9.728 1.00 0.00 C ATOM 1518 C ASP A 103 14.396 -6.209 -10.778 1.00 0.00 C ATOM 1519 O ASP A 103 14.297 -7.421 -10.726 1.00 0.00 O ATOM 1520 CB ASP A 103 13.159 -6.223 -8.579 1.00 0.00 C ATOM 1521 CG ASP A 103 12.594 -5.450 -7.417 1.00 0.00 C ATOM 1522 OD1 ASP A 103 12.616 -4.228 -7.466 1.00 0.00 O ATOM 1523 OD2 ASP A 103 12.170 -6.189 -6.543 1.00 0.00 O ATOM 0 H ASP A 103 11.677 -5.076 -10.319 1.00 0.00 H new ATOM 0 HA ASP A 103 14.446 -4.613 -9.398 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.387 -6.884 -8.974 1.00 0.00 H new ATOM 0 HB3 ASP A 103 13.970 -6.858 -8.222 1.00 0.00 H new ATOM 1528 N THR A 104 15.094 -5.619 -11.719 1.00 0.00 N ATOM 1529 CA THR A 104 15.792 -6.503 -12.738 1.00 0.00 C ATOM 1530 C THR A 104 16.708 -7.482 -11.982 1.00 0.00 C ATOM 1531 O THR A 104 16.564 -8.682 -12.044 1.00 0.00 O ATOM 1532 CB THR A 104 16.680 -5.678 -13.714 1.00 0.00 C ATOM 1533 OG1 THR A 104 17.541 -4.896 -12.901 1.00 0.00 O ATOM 1534 CG2 THR A 104 15.864 -4.631 -14.446 1.00 0.00 C ATOM 0 H THR A 104 15.215 -4.613 -11.835 1.00 0.00 H new ATOM 0 HA THR A 104 15.027 -7.019 -13.318 1.00 0.00 H new ATOM 0 HB THR A 104 17.165 -6.365 -14.407 1.00 0.00 H new ATOM 0 HG1 THR A 104 18.127 -4.355 -13.471 1.00 0.00 H new ATOM 0 HG21 THR A 104 16.512 -4.071 -15.120 1.00 0.00 H new ATOM 0 HG22 THR A 104 15.077 -5.119 -15.021 1.00 0.00 H new ATOM 0 HG23 THR A 104 15.415 -3.949 -13.724 1.00 0.00 H new ATOM 1542 N ASN A 105 17.654 -6.908 -11.295 1.00 0.00 N ATOM 1543 CA ASN A 105 18.659 -7.652 -10.464 1.00 0.00 C ATOM 1544 C ASN A 105 18.594 -7.201 -8.982 1.00 0.00 C ATOM 1545 O ASN A 105 19.235 -7.745 -8.110 1.00 0.00 O ATOM 1546 CB ASN A 105 20.050 -7.382 -11.098 1.00 0.00 C ATOM 1547 CG ASN A 105 20.371 -5.891 -11.202 1.00 0.00 C ATOM 1548 OD1 ASN A 105 21.178 -5.483 -12.000 1.00 0.00 O ATOM 1549 ND2 ASN A 105 19.803 -5.011 -10.447 1.00 0.00 N ATOM 0 H ASN A 105 17.782 -5.896 -11.272 1.00 0.00 H new ATOM 0 HA ASN A 105 18.453 -8.722 -10.457 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.818 -7.874 -10.502 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.084 -7.827 -12.092 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.045 -4.025 -10.543 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.113 -5.302 -9.755 1.00 0.00 H new ATOM 1556 N GLY A 106 17.791 -6.207 -8.719 1.00 0.00 N ATOM 1557 CA GLY A 106 17.637 -5.663 -7.328 1.00 0.00 C ATOM 1558 C GLY A 106 16.506 -6.477 -6.750 1.00 0.00 C ATOM 1559 O GLY A 106 15.451 -5.970 -6.447 1.00 0.00 O ATOM 0 H GLY A 106 17.221 -5.735 -9.421 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.552 -5.781 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 106 17.401 -4.599 -7.338 1.00 0.00 H new ATOM 1563 N ILE A 107 16.817 -7.735 -6.637 1.00 0.00 N ATOM 1564 CA ILE A 107 15.929 -8.792 -6.118 1.00 0.00 C ATOM 1565 C ILE A 107 15.819 -8.659 -4.598 1.00 0.00 C ATOM 1566 O ILE A 107 16.170 -9.512 -3.799 1.00 0.00 O ATOM 1567 CB ILE A 107 16.523 -10.177 -6.544 1.00 0.00 C ATOM 1568 CG1 ILE A 107 17.079 -10.186 -8.003 1.00 0.00 C ATOM 1569 CG2 ILE A 107 15.406 -11.236 -6.491 1.00 0.00 C ATOM 1570 CD1 ILE A 107 16.138 -9.489 -9.023 1.00 0.00 C ATOM 0 H ILE A 107 17.733 -8.092 -6.910 1.00 0.00 H new ATOM 0 HA ILE A 107 14.923 -8.703 -6.527 1.00 0.00 H new ATOM 0 HB ILE A 107 17.342 -10.386 -5.856 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.050 -9.691 -8.018 1.00 0.00 H new ATOM 0 HG13 ILE A 107 17.243 -11.217 -8.316 1.00 0.00 H new ATOM 0 HG21 ILE A 107 15.809 -12.205 -6.786 1.00 0.00 H new ATOM 0 HG22 ILE A 107 15.013 -11.300 -5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 107 14.604 -10.954 -7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 107 16.584 -9.531 -10.017 1.00 0.00 H new ATOM 0 HD12 ILE A 107 15.174 -9.998 -9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 107 15.994 -8.448 -8.733 1.00 0.00 H new ATOM 1582 N GLY A 108 15.286 -7.521 -4.266 1.00 0.00 N ATOM 1583 CA GLY A 108 15.049 -7.110 -2.844 1.00 0.00 C ATOM 1584 C GLY A 108 13.883 -7.888 -2.226 1.00 0.00 C ATOM 1585 O GLY A 108 13.109 -7.383 -1.437 1.00 0.00 O ATOM 0 H GLY A 108 14.990 -6.824 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.953 -7.280 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.838 -6.041 -2.802 1.00 0.00 H new ATOM 1589 N TYR A 109 13.811 -9.128 -2.629 1.00 0.00 N ATOM 1590 CA TYR A 109 12.759 -10.035 -2.127 1.00 0.00 C ATOM 1591 C TYR A 109 13.336 -10.390 -0.743 1.00 0.00 C ATOM 1592 O TYR A 109 12.608 -10.350 0.227 1.00 0.00 O ATOM 1593 CB TYR A 109 12.658 -11.269 -3.084 1.00 0.00 C ATOM 1594 CG TYR A 109 11.542 -12.219 -2.589 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.215 -12.023 -2.937 1.00 0.00 C ATOM 1596 CD2 TYR A 109 11.850 -13.285 -1.772 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.229 -12.880 -2.471 1.00 0.00 C ATOM 1598 CE2 TYR A 109 10.858 -14.138 -1.311 1.00 0.00 C ATOM 1599 CZ TYR A 109 9.544 -13.943 -1.653 1.00 0.00 C ATOM 1600 OH TYR A 109 8.580 -14.809 -1.174 1.00 0.00 O ATOM 0 H TYR A 109 14.454 -9.551 -3.299 1.00 0.00 H new ATOM 0 HA TYR A 109 11.747 -9.634 -2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.443 -10.938 -4.100 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.611 -11.797 -3.116 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.946 -11.195 -3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 109 12.877 -13.459 -1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.200 -12.712 -2.753 1.00 0.00 H new ATOM 0 HE2 TYR A 109 11.124 -14.968 -0.673 1.00 0.00 H new ATOM 0 HH TYR A 109 7.702 -14.374 -1.210 1.00 0.00 H new ATOM 1610 N GLN A 110 14.614 -10.718 -0.712 1.00 0.00 N ATOM 1611 CA GLN A 110 15.305 -11.081 0.576 1.00 0.00 C ATOM 1612 C GLN A 110 15.095 -10.077 1.731 1.00 0.00 C ATOM 1613 O GLN A 110 14.985 -8.877 1.546 1.00 0.00 O ATOM 1614 CB GLN A 110 16.825 -11.242 0.283 1.00 0.00 C ATOM 1615 CG GLN A 110 17.114 -12.732 -0.072 1.00 0.00 C ATOM 1616 CD GLN A 110 17.091 -13.605 1.193 1.00 0.00 C ATOM 1617 OE1 GLN A 110 17.930 -13.509 2.060 1.00 0.00 O ATOM 1618 NE2 GLN A 110 16.155 -14.478 1.373 1.00 0.00 N ATOM 0 H GLN A 110 15.214 -10.750 -1.536 1.00 0.00 H new ATOM 0 HA GLN A 110 14.854 -12.010 0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.121 -10.593 -0.542 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.411 -10.941 1.152 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.370 -13.093 -0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 110 18.086 -12.813 -0.559 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.425 -14.596 0.670 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.146 -15.049 2.218 1.00 0.00 H new ATOM 1627 N GLN A 111 15.051 -10.659 2.902 1.00 0.00 N ATOM 1628 CA GLN A 111 14.849 -9.946 4.212 1.00 0.00 C ATOM 1629 C GLN A 111 13.350 -9.535 4.291 1.00 0.00 C ATOM 1630 O GLN A 111 12.689 -9.831 5.266 1.00 0.00 O ATOM 1631 CB GLN A 111 15.796 -8.669 4.324 1.00 0.00 C ATOM 1632 CG GLN A 111 17.322 -9.072 4.177 1.00 0.00 C ATOM 1633 CD GLN A 111 18.279 -7.972 4.691 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.046 -6.793 4.576 1.00 0.00 O ATOM 1635 NE2 GLN A 111 19.399 -8.269 5.273 1.00 0.00 N ATOM 0 H GLN A 111 15.154 -11.668 3.012 1.00 0.00 H new ATOM 0 HA GLN A 111 15.109 -10.602 5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.531 -7.948 3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.638 -8.179 5.285 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.505 -9.994 4.728 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.540 -9.278 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 111 19.662 -9.246 5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 111 20.017 -7.526 5.599 1.00 0.00 H new ATOM 1644 N GLY A 112 12.881 -8.882 3.249 1.00 0.00 N ATOM 1645 CA GLY A 112 11.462 -8.405 3.143 1.00 0.00 C ATOM 1646 C GLY A 112 11.328 -6.892 2.946 1.00 0.00 C ATOM 1647 O GLY A 112 10.383 -6.321 3.454 1.00 0.00 O ATOM 0 H GLY A 112 13.450 -8.652 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.979 -8.914 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.924 -8.693 4.046 1.00 0.00 H new ATOM 1651 N HIS A 113 12.251 -6.291 2.223 1.00 0.00 N ATOM 1652 CA HIS A 113 12.197 -4.798 1.979 1.00 0.00 C ATOM 1653 C HIS A 113 13.096 -4.261 0.837 1.00 0.00 C ATOM 1654 O HIS A 113 14.115 -4.860 0.550 1.00 0.00 O ATOM 1655 CB HIS A 113 12.609 -4.119 3.265 1.00 0.00 C ATOM 1656 CG HIS A 113 14.093 -4.365 3.613 1.00 0.00 C ATOM 1657 ND1 HIS A 113 15.021 -5.008 2.973 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.718 -3.891 4.734 1.00 0.00 C ATOM 1659 CE1 HIS A 113 16.133 -4.931 3.647 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.984 -4.240 4.757 1.00 0.00 N ATOM 0 H HIS A 113 13.042 -6.767 1.789 1.00 0.00 H new ATOM 0 HA HIS A 113 11.177 -4.579 1.663 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.432 -3.047 3.179 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.983 -4.481 4.080 1.00 0.00 H new ATOM 0 HD1 HIS A 113 14.899 -5.495 2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 113 14.233 -3.305 5.501 1.00 0.00 H new ATOM 0 HE1 HIS A 113 17.064 -5.380 3.333 1.00 0.00 H new ATOM 1668 N LEU A 114 12.730 -3.152 0.215 1.00 0.00 N ATOM 1669 CA LEU A 114 13.563 -2.555 -0.902 1.00 0.00 C ATOM 1670 C LEU A 114 13.576 -1.005 -0.776 1.00 0.00 C ATOM 1671 O LEU A 114 12.636 -0.440 -0.239 1.00 0.00 O ATOM 1672 CB LEU A 114 12.974 -2.975 -2.302 1.00 0.00 C ATOM 1673 CG LEU A 114 13.812 -2.393 -3.504 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.239 -2.989 -3.499 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.136 -2.843 -4.814 1.00 0.00 C ATOM 0 H LEU A 114 11.882 -2.629 0.434 1.00 0.00 H new ATOM 0 HA LEU A 114 14.583 -2.930 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.950 -4.062 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.944 -2.628 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 114 13.861 -1.308 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.807 -2.579 -4.334 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.736 -2.736 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.181 -4.073 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.696 -2.454 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.118 -3.932 -4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.115 -2.462 -4.846 1.00 0.00 H new ATOM 1687 N ASN A 115 14.606 -0.362 -1.275 1.00 0.00 N ATOM 1688 CA ASN A 115 14.701 1.133 -1.191 1.00 0.00 C ATOM 1689 C ASN A 115 14.350 1.793 -2.549 1.00 0.00 C ATOM 1690 O ASN A 115 15.057 1.696 -3.539 1.00 0.00 O ATOM 1691 CB ASN A 115 16.139 1.504 -0.776 1.00 0.00 C ATOM 1692 CG ASN A 115 16.194 2.969 -0.368 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.352 3.767 -0.710 1.00 0.00 O ATOM 1694 ND2 ASN A 115 17.171 3.386 0.360 1.00 0.00 N ATOM 0 H ASN A 115 15.393 -0.813 -1.742 1.00 0.00 H new ATOM 0 HA ASN A 115 13.986 1.500 -0.454 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.463 0.874 0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.825 1.321 -1.603 1.00 0.00 H new ATOM 0 HD21 ASN A 115 17.220 4.367 0.634 1.00 0.00 H new ATOM 0 HD22 ASN A 115 17.895 2.735 0.663 1.00 0.00 H new ATOM 1701 N VAL A 116 13.220 2.444 -2.515 1.00 0.00 N ATOM 1702 CA VAL A 116 12.698 3.156 -3.727 1.00 0.00 C ATOM 1703 C VAL A 116 12.207 4.587 -3.384 1.00 0.00 C ATOM 1704 O VAL A 116 12.161 4.960 -2.222 1.00 0.00 O ATOM 1705 CB VAL A 116 11.530 2.312 -4.308 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.943 0.823 -4.475 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.342 2.365 -3.320 1.00 0.00 C ATOM 0 H VAL A 116 12.625 2.517 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 116 13.500 3.262 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 116 11.262 2.721 -5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.106 0.257 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.793 0.755 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.220 0.411 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.514 1.776 -3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.651 1.957 -2.358 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.023 3.399 -3.190 1.00 0.00 H new ATOM 1717 N ASN A 117 11.851 5.317 -4.417 1.00 0.00 N ATOM 1718 CA ASN A 117 11.342 6.729 -4.235 1.00 0.00 C ATOM 1719 C ASN A 117 9.978 6.886 -4.939 1.00 0.00 C ATOM 1720 O ASN A 117 9.733 6.202 -5.917 1.00 0.00 O ATOM 1721 CB ASN A 117 12.320 7.741 -4.862 1.00 0.00 C ATOM 1722 CG ASN A 117 13.728 7.498 -4.386 1.00 0.00 C ATOM 1723 OD1 ASN A 117 14.034 7.536 -3.220 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.640 7.243 -5.262 1.00 0.00 N ATOM 0 H ASN A 117 11.889 4.999 -5.385 1.00 0.00 H new ATOM 0 HA ASN A 117 11.247 6.920 -3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.281 7.664 -5.949 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.015 8.755 -4.603 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.601 7.078 -4.964 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.400 7.207 -6.253 1.00 0.00 H new ATOM 1731 N TYR A 118 9.132 7.759 -4.466 1.00 0.00 N ATOM 1732 CA TYR A 118 7.818 7.912 -5.157 1.00 0.00 C ATOM 1733 C TYR A 118 7.297 9.350 -5.056 1.00 0.00 C ATOM 1734 O TYR A 118 7.589 10.091 -4.135 1.00 0.00 O ATOM 1735 CB TYR A 118 6.815 6.905 -4.544 1.00 0.00 C ATOM 1736 CG TYR A 118 6.617 7.191 -3.066 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.843 8.252 -2.628 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.254 6.385 -2.150 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.725 8.494 -1.276 1.00 0.00 C ATOM 1740 CE2 TYR A 118 7.131 6.633 -0.813 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.375 7.681 -0.373 1.00 0.00 C ATOM 1742 OH TYR A 118 6.297 7.914 0.979 1.00 0.00 O ATOM 0 H TYR A 118 9.285 8.358 -3.655 1.00 0.00 H new ATOM 0 HA TYR A 118 7.941 7.700 -6.219 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.860 6.970 -5.065 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.183 5.888 -4.678 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.335 8.885 -3.340 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.853 5.553 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.124 9.320 -0.925 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.634 5.997 -0.100 1.00 0.00 H new ATOM 0 HH TYR A 118 6.622 7.128 1.466 1.00 0.00 H new ATOM 1752 N GLN A 119 6.515 9.714 -6.019 1.00 0.00 N ATOM 1753 CA GLN A 119 5.936 11.094 -6.065 1.00 0.00 C ATOM 1754 C GLN A 119 4.415 11.025 -6.401 1.00 0.00 C ATOM 1755 O GLN A 119 4.008 10.117 -7.096 1.00 0.00 O ATOM 1756 CB GLN A 119 6.776 11.882 -7.162 1.00 0.00 C ATOM 1757 CG GLN A 119 8.167 11.153 -7.561 1.00 0.00 C ATOM 1758 CD GLN A 119 9.205 11.025 -6.421 1.00 0.00 C ATOM 1759 OE1 GLN A 119 10.079 10.180 -6.453 1.00 0.00 O ATOM 1760 NE2 GLN A 119 9.171 11.823 -5.404 1.00 0.00 N ATOM 0 H GLN A 119 6.241 9.111 -6.795 1.00 0.00 H new ATOM 0 HA GLN A 119 6.002 11.610 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.167 12.000 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.994 12.883 -6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.939 10.155 -7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.623 11.705 -8.383 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.451 12.543 -5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.864 11.732 -4.661 1.00 0.00 H new ATOM 1769 N PHE A 120 3.588 11.931 -5.938 1.00 0.00 N ATOM 1770 CA PHE A 120 2.121 11.827 -6.308 1.00 0.00 C ATOM 1771 C PHE A 120 2.033 12.107 -7.840 1.00 0.00 C ATOM 1772 O PHE A 120 2.656 13.035 -8.320 1.00 0.00 O ATOM 1773 CB PHE A 120 1.311 12.894 -5.516 1.00 0.00 C ATOM 1774 CG PHE A 120 1.093 12.467 -4.049 1.00 0.00 C ATOM 1775 CD1 PHE A 120 2.156 12.316 -3.182 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.185 12.224 -3.569 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.953 11.931 -1.871 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.393 11.839 -2.260 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.681 11.692 -1.410 1.00 0.00 C ATOM 0 H PHE A 120 3.842 12.717 -5.339 1.00 0.00 H new ATOM 0 HA PHE A 120 1.711 10.846 -6.067 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.839 13.847 -5.544 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.346 13.050 -5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.160 12.501 -3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.031 12.338 -4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.797 11.818 -1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.395 11.653 -1.903 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.524 11.390 -0.385 1.00 0.00 H new ATOM 1789 N VAL A 121 1.284 11.298 -8.548 1.00 0.00 N ATOM 1790 CA VAL A 121 1.105 11.440 -10.036 1.00 0.00 C ATOM 1791 C VAL A 121 -0.321 11.114 -10.596 1.00 0.00 C ATOM 1792 O VAL A 121 -1.091 10.380 -10.002 1.00 0.00 O ATOM 1793 CB VAL A 121 2.231 10.525 -10.671 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.667 9.406 -11.572 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.026 11.407 -11.640 1.00 0.00 C ATOM 0 H VAL A 121 0.769 10.515 -8.145 1.00 0.00 H new ATOM 0 HA VAL A 121 1.201 12.490 -10.310 1.00 0.00 H new ATOM 0 HB VAL A 121 2.796 10.091 -9.846 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.489 8.815 -11.976 1.00 0.00 H new ATOM 0 HG12 VAL A 121 1.011 8.762 -10.985 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.102 9.849 -12.392 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.817 10.817 -12.104 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.360 11.792 -12.412 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.468 12.241 -11.094 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.634 11.711 -11.724 1.00 0.00 N ATOM 1806 CA ASP A 122 -1.975 11.462 -12.374 1.00 0.00 C ATOM 1807 C ASP A 122 -1.930 10.260 -13.371 1.00 0.00 C ATOM 1808 O ASP A 122 -0.998 10.199 -14.151 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.428 12.770 -13.121 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.654 12.544 -13.995 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.505 11.769 -13.592 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -3.662 13.184 -15.023 1.00 0.00 O ATOM 0 H ASP A 122 -0.025 12.358 -12.225 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.692 11.203 -11.595 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.646 13.547 -12.388 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -1.607 13.135 -13.738 1.00 0.00 H new ATOM 1817 N CYS A 123 -2.869 9.343 -13.364 1.00 0.00 N ATOM 1818 CA CYS A 123 -2.792 8.201 -14.364 1.00 0.00 C ATOM 1819 C CYS A 123 -3.532 8.585 -15.656 1.00 0.00 C ATOM 1820 O CYS A 123 -3.361 7.937 -16.670 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.473 6.875 -13.877 1.00 0.00 C ATOM 1822 SG CYS A 123 -2.790 5.911 -12.510 1.00 0.00 S ATOM 0 H CYS A 123 -3.669 9.324 -12.732 1.00 0.00 H new ATOM 0 HA CYS A 123 -1.725 8.029 -14.506 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.499 7.126 -13.606 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.525 6.210 -14.739 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.323 9.627 -15.566 1.00 0.00 N ATOM 1828 CA ARG A 124 -5.156 10.174 -16.694 1.00 0.00 C ATOM 1829 C ARG A 124 -5.700 9.093 -17.663 1.00 0.00 C ATOM 1830 O ARG A 124 -5.268 8.969 -18.797 1.00 0.00 O ATOM 1831 CB ARG A 124 -4.327 11.196 -17.510 1.00 0.00 C ATOM 1832 CG ARG A 124 -5.347 12.043 -18.341 1.00 0.00 C ATOM 1833 CD ARG A 124 -4.628 12.950 -19.331 1.00 0.00 C ATOM 1834 NE ARG A 124 -4.124 12.064 -20.438 1.00 0.00 N ATOM 1835 CZ ARG A 124 -4.288 12.339 -21.678 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -3.786 13.422 -22.134 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -4.945 11.506 -22.385 1.00 0.00 N ATOM 0 H ARG A 124 -4.432 10.155 -14.700 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.020 10.643 -16.223 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.742 11.835 -16.849 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -3.622 10.686 -18.167 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -6.024 11.379 -18.877 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.958 12.645 -17.668 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -5.304 13.711 -19.721 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -3.803 13.474 -18.848 1.00 0.00 H new ATOM 0 HE ARG A 124 -3.630 11.207 -20.190 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.268 14.045 -21.514 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.903 13.664 -23.118 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -5.318 10.658 -21.959 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.098 11.688 -23.377 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.638 8.357 -17.131 1.00 0.00 N ATOM 1852 CA ASP A 125 -7.311 7.255 -17.877 1.00 0.00 C ATOM 1853 C ASP A 125 -7.877 7.825 -19.213 1.00 0.00 C ATOM 1854 O ASP A 125 -7.452 7.287 -20.226 1.00 0.00 O ATOM 1855 CB ASP A 125 -8.395 6.702 -16.889 1.00 0.00 C ATOM 1856 CG ASP A 125 -8.972 5.350 -17.319 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -9.932 5.317 -18.064 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.400 4.380 -16.860 1.00 0.00 O ATOM 1859 OXT ASP A 125 -8.674 8.755 -19.156 1.00 0.00 O ATOM 0 H ASP A 125 -6.977 8.479 -16.177 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.655 6.437 -18.175 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -7.955 6.603 -15.897 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -9.206 7.426 -16.807 1.00 0.00 H new TER 1864 ASP A 125