USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 737 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 ASN : amide:sc= -0.889 X(o=-0.89,f=-1) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN :FLIP amide:sc= 0.846 F(o=-0.04,f=0.85) USER MOD Single : A 16 THR OG1 : rot 70:sc= 0.69 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -1.52 F(o=-3.1,f=-1.5) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.97! C(o=-4!,f=-12!) USER MOD Single : A 24 TYR OH : rot 15:sc= 0.563 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0955 USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0.117 (180deg=0.0906) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 41 ASN : amide:sc= -5.2! C(o=-5.2!,f=-13!) USER MOD Single : A 49 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.672) USER MOD Single : A 50 SER OG : rot 85:sc= 0.0475 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 40:sc= 0.00705 USER MOD Single : A 77 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.1) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.125 USER MOD Single : A 80 SER OG : rot 2:sc= 1.08 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.398 F(o=-1.4,f=-0.4) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 40:sc= -0.815 USER MOD Single : A 91 SER OG : rot -110:sc= -1.84! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 61:sc= -0.676 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.0111 X(o=-0.011,f=-0.12) USER MOD Single : A 103 TYR OH : rot -130:sc= -2.56! USER MOD Single : A 104 GLN :FLIP amide:sc= -0.0359 F(o=-0.97,f=-0.036) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 3.459 11.670 2.960 1.00 0.00 N ATOM 47 CA ILE A 4 2.210 10.908 2.677 1.00 0.00 C ATOM 48 C ILE A 4 2.477 9.411 2.845 1.00 0.00 C ATOM 49 O ILE A 4 2.464 8.658 1.892 1.00 0.00 O ATOM 50 CB ILE A 4 1.755 11.186 1.244 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.454 12.679 1.086 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.491 10.378 0.944 1.00 0.00 C ATOM 53 CD1 ILE A 4 2.221 13.231 -0.116 1.00 0.00 C ATOM 0 HA ILE A 4 1.430 11.219 3.372 1.00 0.00 H new ATOM 0 HB ILE A 4 2.544 10.898 0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.384 12.832 0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.740 13.216 1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.166 10.576 -0.078 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.703 9.315 1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.299 10.667 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.006 14.294 -0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.291 13.091 0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.914 12.702 -1.018 1.00 0.00 H new ATOM 65 N ASN A 5 2.722 8.975 4.050 1.00 0.00 N ATOM 66 CA ASN A 5 2.990 7.527 4.277 1.00 0.00 C ATOM 67 C ASN A 5 2.074 7.005 5.385 1.00 0.00 C ATOM 68 O ASN A 5 2.482 6.235 6.231 1.00 0.00 O ATOM 69 CB ASN A 5 4.451 7.338 4.692 1.00 0.00 C ATOM 70 CG ASN A 5 4.654 7.884 6.106 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.619 9.080 6.320 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.867 7.053 7.090 1.00 0.00 N ATOM 0 H ASN A 5 2.748 9.558 4.886 1.00 0.00 H new ATOM 0 HA ASN A 5 2.798 6.974 3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.716 6.281 4.657 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.109 7.855 3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.004 7.408 8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.897 6.049 6.912 1.00 0.00 H new ATOM 79 N THR A 6 0.836 7.417 5.387 1.00 0.00 N ATOM 80 CA THR A 6 -0.106 6.943 6.440 1.00 0.00 C ATOM 81 C THR A 6 -1.423 6.514 5.790 1.00 0.00 C ATOM 82 O THR A 6 -1.556 6.504 4.583 1.00 0.00 O ATOM 83 CB THR A 6 -0.374 8.075 7.434 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.161 9.325 6.793 1.00 0.00 O ATOM 85 CG2 THR A 6 0.573 7.944 8.628 1.00 0.00 C ATOM 0 H THR A 6 0.436 8.061 4.705 1.00 0.00 H new ATOM 0 HA THR A 6 0.334 6.095 6.965 1.00 0.00 H new ATOM 0 HB THR A 6 -1.405 8.016 7.784 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.334 10.052 7.427 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.381 8.751 9.335 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.409 6.985 9.119 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.605 8.003 8.282 1.00 0.00 H new ATOM 93 N PHE A 7 -2.398 6.161 6.582 1.00 0.00 N ATOM 94 CA PHE A 7 -3.705 5.734 6.006 1.00 0.00 C ATOM 95 C PHE A 7 -4.507 6.969 5.592 1.00 0.00 C ATOM 96 O PHE A 7 -5.042 7.036 4.505 1.00 0.00 O ATOM 97 CB PHE A 7 -4.491 4.944 7.054 1.00 0.00 C ATOM 98 CG PHE A 7 -3.974 3.529 7.110 1.00 0.00 C ATOM 99 CD1 PHE A 7 -4.090 2.696 5.991 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.377 3.049 8.281 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.611 1.382 6.044 1.00 0.00 C ATOM 102 CE2 PHE A 7 -2.897 1.735 8.335 1.00 0.00 C ATOM 103 CZ PHE A 7 -3.013 0.901 7.216 1.00 0.00 C ATOM 0 H PHE A 7 -2.347 6.150 7.601 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.529 5.105 5.133 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.392 5.417 8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.552 4.945 6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.549 3.067 5.087 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.286 3.693 9.144 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.702 0.739 5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.437 1.365 9.239 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.642 -0.112 7.257 1.00 0.00 H new ATOM 113 N ASP A 8 -4.600 7.943 6.453 1.00 0.00 N ATOM 114 CA ASP A 8 -5.370 9.173 6.110 1.00 0.00 C ATOM 115 C ASP A 8 -4.608 9.990 5.060 1.00 0.00 C ATOM 116 O ASP A 8 -5.189 10.541 4.146 1.00 0.00 O ATOM 117 CB ASP A 8 -5.563 10.019 7.369 1.00 0.00 C ATOM 118 CG ASP A 8 -7.040 10.010 7.769 1.00 0.00 C ATOM 119 OD1 ASP A 8 -7.779 9.213 7.214 1.00 0.00 O ATOM 120 OD2 ASP A 8 -7.408 10.800 8.622 1.00 0.00 O ATOM 0 H ASP A 8 -4.176 7.942 7.381 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.341 8.887 5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.953 9.625 8.182 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.231 11.041 7.188 1.00 0.00 H new ATOM 125 N GLY A 9 -3.311 10.081 5.191 1.00 0.00 N ATOM 126 CA GLY A 9 -2.514 10.873 4.212 1.00 0.00 C ATOM 127 C GLY A 9 -2.547 10.195 2.844 1.00 0.00 C ATOM 128 O GLY A 9 -2.855 10.811 1.843 1.00 0.00 O ATOM 0 H GLY A 9 -2.770 9.640 5.935 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.915 11.884 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.484 10.964 4.557 1.00 0.00 H new ATOM 132 N VAL A 10 -2.231 8.932 2.788 1.00 0.00 N ATOM 133 CA VAL A 10 -2.245 8.225 1.477 1.00 0.00 C ATOM 134 C VAL A 10 -3.669 8.218 0.927 1.00 0.00 C ATOM 135 O VAL A 10 -3.896 8.479 -0.238 1.00 0.00 O ATOM 136 CB VAL A 10 -1.755 6.787 1.662 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.662 6.100 0.299 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.373 6.801 2.319 1.00 0.00 C ATOM 0 H VAL A 10 -1.965 8.360 3.590 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.586 8.738 0.777 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.455 6.244 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.313 5.076 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.645 6.091 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.961 6.643 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.023 5.777 2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.326 7.345 1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.437 7.291 3.290 1.00 0.00 H new ATOM 148 N ALA A 11 -4.635 7.937 1.756 1.00 0.00 N ATOM 149 CA ALA A 11 -6.043 7.934 1.277 1.00 0.00 C ATOM 150 C ALA A 11 -6.348 9.303 0.673 1.00 0.00 C ATOM 151 O ALA A 11 -7.011 9.417 -0.338 1.00 0.00 O ATOM 152 CB ALA A 11 -6.985 7.668 2.454 1.00 0.00 C ATOM 0 H ALA A 11 -4.510 7.710 2.742 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.185 7.154 0.529 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.016 7.666 2.101 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.751 6.699 2.896 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.859 8.449 3.204 1.00 0.00 H new ATOM 158 N ASP A 12 -5.853 10.343 1.287 1.00 0.00 N ATOM 159 CA ASP A 12 -6.093 11.710 0.752 1.00 0.00 C ATOM 160 C ASP A 12 -5.477 11.818 -0.643 1.00 0.00 C ATOM 161 O ASP A 12 -6.144 12.149 -1.604 1.00 0.00 O ATOM 162 CB ASP A 12 -5.435 12.738 1.674 1.00 0.00 C ATOM 163 CG ASP A 12 -6.509 13.448 2.501 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.070 12.811 3.376 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.749 14.616 2.244 1.00 0.00 O ATOM 0 H ASP A 12 -5.292 10.303 2.138 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.165 11.900 0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.721 12.245 2.333 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.876 13.465 1.085 1.00 0.00 H new ATOM 170 N TYR A 13 -4.208 11.536 -0.763 1.00 0.00 N ATOM 171 CA TYR A 13 -3.553 11.620 -2.097 1.00 0.00 C ATOM 172 C TYR A 13 -4.282 10.699 -3.075 1.00 0.00 C ATOM 173 O TYR A 13 -4.243 10.893 -4.276 1.00 0.00 O ATOM 174 CB TYR A 13 -2.092 11.180 -1.977 1.00 0.00 C ATOM 175 CG TYR A 13 -1.289 11.781 -3.105 1.00 0.00 C ATOM 176 CD1 TYR A 13 -0.757 13.069 -2.977 1.00 0.00 C ATOM 177 CD2 TYR A 13 -1.078 11.050 -4.281 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.013 13.627 -4.022 1.00 0.00 C ATOM 179 CE2 TYR A 13 -0.333 11.608 -5.327 1.00 0.00 C ATOM 180 CZ TYR A 13 0.199 12.896 -5.198 1.00 0.00 C ATOM 181 OH TYR A 13 0.933 13.446 -6.230 1.00 0.00 O ATOM 0 H TYR A 13 -3.599 11.252 0.004 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.594 12.647 -2.460 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.684 11.497 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.025 10.093 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.921 13.633 -2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.490 10.057 -4.381 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.398 14.621 -3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.169 11.044 -6.234 1.00 0.00 H new ATOM 0 HH TYR A 13 0.985 12.807 -6.971 1.00 0.00 H new ATOM 191 N LEU A 14 -4.954 9.701 -2.569 1.00 0.00 N ATOM 192 CA LEU A 14 -5.691 8.766 -3.459 1.00 0.00 C ATOM 193 C LEU A 14 -6.911 9.483 -4.038 1.00 0.00 C ATOM 194 O LEU A 14 -7.014 9.685 -5.228 1.00 0.00 O ATOM 195 CB LEU A 14 -6.140 7.548 -2.649 1.00 0.00 C ATOM 196 CG LEU A 14 -5.075 6.450 -2.736 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.085 5.625 -1.448 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.382 5.533 -3.921 1.00 0.00 C ATOM 0 H LEU A 14 -5.023 9.494 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.044 8.438 -4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.301 7.830 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.091 7.176 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.095 6.908 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.327 4.844 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.869 6.273 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.066 5.169 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.624 4.752 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.363 5.077 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.378 6.115 -4.842 1.00 0.00 H new ATOM 210 N GLN A 15 -7.833 9.876 -3.207 1.00 0.00 N ATOM 211 CA GLN A 15 -9.037 10.592 -3.721 1.00 0.00 C ATOM 212 C GLN A 15 -8.636 11.996 -4.182 1.00 0.00 C ATOM 213 O GLN A 15 -9.437 12.735 -4.719 1.00 0.00 O ATOM 214 CB GLN A 15 -10.081 10.697 -2.608 1.00 0.00 C ATOM 215 CG GLN A 15 -10.517 9.292 -2.189 1.00 0.00 C ATOM 216 CD GLN A 15 -12.038 9.176 -2.291 1.00 0.00 C ATOM 217 OE1 GLN A 15 -12.786 9.739 -1.381 1.00 0.00 O flip ATOM 218 NE2 GLN A 15 -12.554 8.568 -3.208 1.00 0.00 N flip ATOM 0 H GLN A 15 -7.808 9.734 -2.197 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.458 10.041 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.666 11.231 -1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.942 11.269 -2.954 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.042 8.547 -2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.194 9.089 -1.168 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.971 8.128 -3.920 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.570 8.498 -3.266 1.00 0.00 H new ATOM 227 N THR A 16 -7.402 12.373 -3.973 1.00 0.00 N ATOM 228 CA THR A 16 -6.953 13.730 -4.394 1.00 0.00 C ATOM 229 C THR A 16 -6.393 13.673 -5.811 1.00 0.00 C ATOM 230 O THR A 16 -6.978 14.179 -6.748 1.00 0.00 O ATOM 231 CB THR A 16 -5.867 14.227 -3.438 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.430 14.425 -2.148 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.293 15.546 -3.955 1.00 0.00 C ATOM 0 H THR A 16 -6.686 11.798 -3.528 1.00 0.00 H new ATOM 0 HA THR A 16 -7.803 14.412 -4.370 1.00 0.00 H new ATOM 0 HB THR A 16 -5.069 13.487 -3.377 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.646 13.557 -1.748 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.520 15.899 -3.273 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.862 15.392 -4.944 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.088 16.289 -4.017 1.00 0.00 H new ATOM 241 N TYR A 17 -5.263 13.062 -5.966 1.00 0.00 N ATOM 242 CA TYR A 17 -4.643 12.964 -7.319 1.00 0.00 C ATOM 243 C TYR A 17 -5.133 11.693 -8.017 1.00 0.00 C ATOM 244 O TYR A 17 -4.824 11.443 -9.165 1.00 0.00 O ATOM 245 CB TYR A 17 -3.120 12.915 -7.180 1.00 0.00 C ATOM 246 CG TYR A 17 -2.623 14.238 -6.650 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.381 15.300 -7.530 1.00 0.00 C ATOM 248 CD2 TYR A 17 -2.407 14.405 -5.277 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.921 16.527 -7.038 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.948 15.632 -4.783 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.706 16.693 -5.665 1.00 0.00 C ATOM 252 OH TYR A 17 -1.253 17.903 -5.179 1.00 0.00 O ATOM 0 H TYR A 17 -4.733 12.621 -5.214 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.926 13.834 -7.911 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.831 12.109 -6.506 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.662 12.702 -8.146 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.549 15.172 -8.589 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.595 13.586 -4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.732 17.345 -7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.781 15.760 -3.724 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.158 17.849 -4.205 1.00 0.00 H new ATOM 262 N HIS A 18 -5.901 10.891 -7.333 1.00 0.00 N ATOM 263 CA HIS A 18 -6.418 9.640 -7.953 1.00 0.00 C ATOM 264 C HIS A 18 -5.248 8.785 -8.439 1.00 0.00 C ATOM 265 O HIS A 18 -5.208 8.352 -9.573 1.00 0.00 O ATOM 266 CB HIS A 18 -7.335 9.996 -9.121 1.00 0.00 C ATOM 267 CG HIS A 18 -8.651 10.472 -8.571 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.022 10.874 -7.311 1.00 0.00 N flip ATOM 269 CD2 HIS A 18 -9.794 10.563 -9.349 1.00 0.00 C flip ATOM 270 CE1 HIS A 18 -10.370 11.210 -7.304 1.00 0.00 C flip ATOM 271 NE2 HIS A 18 -10.789 11.004 -8.554 1.00 0.00 N flip ATOM 0 H HIS A 18 -6.193 11.049 -6.369 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.985 9.071 -7.216 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.880 10.772 -9.736 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.485 9.127 -9.762 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.873 10.324 -10.399 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.954 11.562 -6.466 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.746 11.161 -8.870 1.00 0.00 H new ATOM 279 N LYS A 19 -4.299 8.536 -7.579 1.00 0.00 N ATOM 280 CA LYS A 19 -3.125 7.703 -7.964 1.00 0.00 C ATOM 281 C LYS A 19 -2.095 7.738 -6.835 1.00 0.00 C ATOM 282 O LYS A 19 -1.719 8.790 -6.360 1.00 0.00 O ATOM 283 CB LYS A 19 -2.493 8.254 -9.246 1.00 0.00 C ATOM 284 CG LYS A 19 -2.156 9.735 -9.058 1.00 0.00 C ATOM 285 CD LYS A 19 -1.344 10.229 -10.256 1.00 0.00 C ATOM 286 CE LYS A 19 -2.214 11.148 -11.118 1.00 0.00 C ATOM 287 NZ LYS A 19 -2.128 10.720 -12.543 1.00 0.00 N ATOM 0 H LYS A 19 -4.287 8.877 -6.618 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.450 6.677 -8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.590 7.693 -9.488 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.179 8.131 -10.084 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.072 10.318 -8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.589 9.876 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.459 10.765 -9.913 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.995 9.382 -10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.249 11.111 -10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.882 12.181 -11.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.719 11.344 -13.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.140 10.777 -12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.465 9.740 -12.632 1.00 0.00 H new ATOM 301 N LEU A 20 -1.637 6.598 -6.399 1.00 0.00 N ATOM 302 CA LEU A 20 -0.632 6.580 -5.301 1.00 0.00 C ATOM 303 C LEU A 20 0.445 7.628 -5.594 1.00 0.00 C ATOM 304 O LEU A 20 0.750 7.893 -6.740 1.00 0.00 O ATOM 305 CB LEU A 20 0.018 5.196 -5.219 1.00 0.00 C ATOM 306 CG LEU A 20 -0.998 4.179 -4.696 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.279 2.873 -4.354 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.674 4.733 -3.440 1.00 0.00 C ATOM 0 H LEU A 20 -1.914 5.682 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.122 6.804 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.377 4.893 -6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.886 5.230 -4.560 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.752 3.991 -5.461 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.001 2.147 -3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.204 2.478 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.474 3.062 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.398 4.009 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.921 4.921 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.185 5.665 -3.683 1.00 0.00 H new ATOM 320 N PRO A 21 0.994 8.191 -4.549 1.00 0.00 N ATOM 321 CA PRO A 21 2.045 9.213 -4.673 1.00 0.00 C ATOM 322 C PRO A 21 3.185 8.703 -5.552 1.00 0.00 C ATOM 323 O PRO A 21 3.348 7.514 -5.749 1.00 0.00 O ATOM 324 CB PRO A 21 2.533 9.444 -3.239 1.00 0.00 C ATOM 325 CG PRO A 21 1.554 8.705 -2.290 1.00 0.00 C ATOM 326 CD PRO A 21 0.616 7.854 -3.164 1.00 0.00 C ATOM 0 HA PRO A 21 1.679 10.129 -5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.548 9.066 -3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.559 10.509 -3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.102 8.075 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.983 9.419 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.745 6.790 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.430 8.090 -2.970 1.00 0.00 H new ATOM 334 N ASP A 22 3.982 9.593 -6.075 1.00 0.00 N ATOM 335 CA ASP A 22 5.116 9.157 -6.932 1.00 0.00 C ATOM 336 C ASP A 22 6.137 8.414 -6.072 1.00 0.00 C ATOM 337 O ASP A 22 7.079 7.831 -6.572 1.00 0.00 O ATOM 338 CB ASP A 22 5.775 10.382 -7.571 1.00 0.00 C ATOM 339 CG ASP A 22 6.321 11.299 -6.476 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.563 12.118 -5.983 1.00 0.00 O ATOM 341 OD2 ASP A 22 7.489 11.168 -6.148 1.00 0.00 O ATOM 0 H ASP A 22 3.896 10.601 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 22 4.750 8.496 -7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.582 10.069 -8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.051 10.920 -8.182 1.00 0.00 H new ATOM 346 N ASN A 23 5.957 8.428 -4.779 1.00 0.00 N ATOM 347 CA ASN A 23 6.917 7.720 -3.888 1.00 0.00 C ATOM 348 C ASN A 23 6.386 6.319 -3.575 1.00 0.00 C ATOM 349 O ASN A 23 6.760 5.710 -2.592 1.00 0.00 O ATOM 350 CB ASN A 23 7.080 8.506 -2.585 1.00 0.00 C ATOM 351 CG ASN A 23 5.724 8.622 -1.886 1.00 0.00 C ATOM 352 OD1 ASN A 23 4.858 7.790 -2.073 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.501 9.626 -1.083 1.00 0.00 N ATOM 0 H ASN A 23 5.188 8.899 -4.303 1.00 0.00 H new ATOM 0 HA ASN A 23 7.883 7.640 -4.387 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.796 8.005 -1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.479 9.498 -2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.600 9.712 -0.612 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.228 10.324 -0.926 1.00 0.00 H new ATOM 360 N TYR A 24 5.516 5.801 -4.402 1.00 0.00 N ATOM 361 CA TYR A 24 4.967 4.440 -4.143 1.00 0.00 C ATOM 362 C TYR A 24 5.415 3.483 -5.248 1.00 0.00 C ATOM 363 O TYR A 24 4.698 3.232 -6.196 1.00 0.00 O ATOM 364 CB TYR A 24 3.440 4.491 -4.112 1.00 0.00 C ATOM 365 CG TYR A 24 2.972 4.500 -2.679 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.886 3.300 -1.962 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.631 5.708 -2.064 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.457 3.311 -0.629 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.200 5.720 -0.732 1.00 0.00 C ATOM 370 CZ TYR A 24 2.114 4.521 -0.015 1.00 0.00 C ATOM 371 OH TYR A 24 1.692 4.533 1.299 1.00 0.00 O ATOM 0 H TYR A 24 5.164 6.260 -5.242 1.00 0.00 H new ATOM 0 HA TYR A 24 5.338 4.088 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.084 5.382 -4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.025 3.631 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.150 2.367 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.700 6.633 -2.617 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.391 2.386 -0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.934 6.653 -0.258 1.00 0.00 H new ATOM 0 HH TYR A 24 1.912 3.676 1.721 1.00 0.00 H new ATOM 381 N ILE A 25 6.589 2.933 -5.124 1.00 0.00 N ATOM 382 CA ILE A 25 7.074 1.979 -6.157 1.00 0.00 C ATOM 383 C ILE A 25 6.787 0.556 -5.679 1.00 0.00 C ATOM 384 O ILE A 25 7.160 0.174 -4.588 1.00 0.00 O ATOM 385 CB ILE A 25 8.579 2.161 -6.360 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.311 1.857 -5.051 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.867 3.604 -6.780 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.023 0.508 -5.165 1.00 0.00 C ATOM 0 H ILE A 25 7.234 3.103 -4.352 1.00 0.00 H new ATOM 0 HA ILE A 25 6.565 2.164 -7.103 1.00 0.00 H new ATOM 0 HB ILE A 25 8.925 1.480 -7.137 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.033 2.644 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.603 1.838 -4.222 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.940 3.734 -6.925 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.346 3.822 -7.712 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.521 4.285 -6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.544 0.292 -4.232 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.290 -0.275 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.743 0.544 -5.983 1.00 0.00 H new ATOM 400 N THR A 26 6.118 -0.228 -6.477 1.00 0.00 N ATOM 401 CA THR A 26 5.803 -1.621 -6.054 1.00 0.00 C ATOM 402 C THR A 26 7.058 -2.278 -5.482 1.00 0.00 C ATOM 403 O THR A 26 8.134 -1.714 -5.511 1.00 0.00 O ATOM 404 CB THR A 26 5.310 -2.423 -7.258 1.00 0.00 C ATOM 405 OG1 THR A 26 6.413 -2.744 -8.096 1.00 0.00 O ATOM 406 CG2 THR A 26 4.291 -1.598 -8.043 1.00 0.00 C ATOM 0 H THR A 26 5.776 0.034 -7.402 1.00 0.00 H new ATOM 0 HA THR A 26 5.025 -1.600 -5.291 1.00 0.00 H new ATOM 0 HB THR A 26 4.837 -3.342 -6.913 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.098 -3.260 -8.868 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.941 -2.172 -8.901 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.445 -1.356 -7.399 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.759 -0.676 -8.390 1.00 0.00 H new ATOM 414 N LYS A 27 6.936 -3.469 -4.965 1.00 0.00 N ATOM 415 CA LYS A 27 8.138 -4.147 -4.396 1.00 0.00 C ATOM 416 C LYS A 27 9.072 -4.546 -5.537 1.00 0.00 C ATOM 417 O LYS A 27 10.268 -4.362 -5.462 1.00 0.00 O ATOM 418 CB LYS A 27 7.759 -5.400 -3.592 1.00 0.00 C ATOM 419 CG LYS A 27 6.252 -5.450 -3.314 1.00 0.00 C ATOM 420 CD LYS A 27 5.543 -6.169 -4.464 1.00 0.00 C ATOM 421 CE LYS A 27 4.540 -7.175 -3.895 1.00 0.00 C ATOM 422 NZ LYS A 27 3.375 -6.443 -3.321 1.00 0.00 N ATOM 0 H LYS A 27 6.066 -3.999 -4.911 1.00 0.00 H new ATOM 0 HA LYS A 27 8.631 -3.450 -3.719 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.059 -6.292 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.305 -5.408 -2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.062 -5.969 -2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.858 -4.440 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.029 -5.446 -5.098 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.272 -6.681 -5.091 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.206 -7.855 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.016 -7.784 -3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.620 -7.120 -3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.670 -5.943 -2.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.021 -5.755 -4.016 1.00 0.00 H new ATOM 436 N SER A 28 8.534 -5.084 -6.598 1.00 0.00 N ATOM 437 CA SER A 28 9.402 -5.480 -7.741 1.00 0.00 C ATOM 438 C SER A 28 10.211 -4.261 -8.176 1.00 0.00 C ATOM 439 O SER A 28 11.380 -4.354 -8.505 1.00 0.00 O ATOM 440 CB SER A 28 8.532 -5.961 -8.903 1.00 0.00 C ATOM 441 OG SER A 28 9.108 -7.130 -9.468 1.00 0.00 O ATOM 0 H SER A 28 7.538 -5.265 -6.722 1.00 0.00 H new ATOM 0 HA SER A 28 10.071 -6.287 -7.443 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.522 -6.172 -8.553 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.450 -5.180 -9.659 1.00 0.00 H new ATOM 0 HG SER A 28 8.552 -7.442 -10.212 1.00 0.00 H new ATOM 447 N GLU A 29 9.596 -3.112 -8.166 1.00 0.00 N ATOM 448 CA GLU A 29 10.321 -1.879 -8.564 1.00 0.00 C ATOM 449 C GLU A 29 11.529 -1.703 -7.650 1.00 0.00 C ATOM 450 O GLU A 29 12.595 -1.321 -8.088 1.00 0.00 O ATOM 451 CB GLU A 29 9.393 -0.670 -8.429 1.00 0.00 C ATOM 452 CG GLU A 29 8.763 -0.356 -9.787 1.00 0.00 C ATOM 453 CD GLU A 29 9.844 0.143 -10.749 1.00 0.00 C ATOM 454 OE1 GLU A 29 10.828 0.683 -10.271 1.00 0.00 O ATOM 455 OE2 GLU A 29 9.668 -0.023 -11.944 1.00 0.00 O ATOM 0 H GLU A 29 8.621 -2.976 -7.899 1.00 0.00 H new ATOM 0 HA GLU A 29 10.649 -1.960 -9.600 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.615 -0.876 -7.694 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.953 0.193 -8.068 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.284 -1.247 -10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.986 0.400 -9.673 1.00 0.00 H new ATOM 462 N ALA A 30 11.381 -1.993 -6.385 1.00 0.00 N ATOM 463 CA ALA A 30 12.538 -1.852 -5.463 1.00 0.00 C ATOM 464 C ALA A 30 13.572 -2.914 -5.826 1.00 0.00 C ATOM 465 O ALA A 30 14.764 -2.680 -5.777 1.00 0.00 O ATOM 466 CB ALA A 30 12.081 -2.046 -4.015 1.00 0.00 C ATOM 0 H ALA A 30 10.515 -2.319 -5.955 1.00 0.00 H new ATOM 0 HA ALA A 30 12.971 -0.856 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.936 -1.941 -3.347 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.331 -1.295 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.650 -3.041 -3.900 1.00 0.00 H new ATOM 472 N GLN A 31 13.124 -4.078 -6.208 1.00 0.00 N ATOM 473 CA GLN A 31 14.080 -5.149 -6.594 1.00 0.00 C ATOM 474 C GLN A 31 14.899 -4.654 -7.781 1.00 0.00 C ATOM 475 O GLN A 31 16.068 -4.958 -7.916 1.00 0.00 O ATOM 476 CB GLN A 31 13.309 -6.410 -6.990 1.00 0.00 C ATOM 477 CG GLN A 31 13.176 -7.331 -5.775 1.00 0.00 C ATOM 478 CD GLN A 31 12.361 -8.568 -6.157 1.00 0.00 C ATOM 479 OE1 GLN A 31 12.633 -9.203 -7.156 1.00 0.00 O ATOM 480 NE2 GLN A 31 11.368 -8.941 -5.398 1.00 0.00 N ATOM 0 H GLN A 31 12.138 -4.332 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 31 14.736 -5.387 -5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 31 12.322 -6.142 -7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.828 -6.928 -7.797 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.163 -7.628 -5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.690 -6.801 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.139 -8.408 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.820 -9.766 -5.643 1.00 0.00 H new ATOM 489 N ALA A 32 14.294 -3.884 -8.648 1.00 0.00 N ATOM 490 CA ALA A 32 15.037 -3.364 -9.821 1.00 0.00 C ATOM 491 C ALA A 32 16.247 -2.568 -9.343 1.00 0.00 C ATOM 492 O ALA A 32 17.294 -2.565 -9.958 1.00 0.00 O ATOM 493 CB ALA A 32 14.122 -2.461 -10.650 1.00 0.00 C ATOM 0 H ALA A 32 13.317 -3.596 -8.589 1.00 0.00 H new ATOM 0 HA ALA A 32 15.372 -4.198 -10.437 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.670 -2.080 -11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.260 -3.033 -10.993 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.783 -1.626 -10.037 1.00 0.00 H new ATOM 499 N LEU A 33 16.098 -1.894 -8.247 1.00 0.00 N ATOM 500 CA LEU A 33 17.220 -1.081 -7.698 1.00 0.00 C ATOM 501 C LEU A 33 18.184 -1.977 -6.923 1.00 0.00 C ATOM 502 O LEU A 33 19.319 -1.623 -6.674 1.00 0.00 O ATOM 503 CB LEU A 33 16.648 -0.014 -6.776 1.00 0.00 C ATOM 504 CG LEU A 33 15.665 0.835 -7.574 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.236 0.443 -7.203 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.904 2.309 -7.257 1.00 0.00 C ATOM 0 H LEU A 33 15.239 -1.868 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 33 17.766 -0.608 -8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.146 -0.477 -5.926 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.448 0.608 -6.374 1.00 0.00 H new ATOM 0 HG LEU A 33 15.812 0.668 -8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.533 1.050 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.076 -0.610 -7.433 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.078 0.610 -6.137 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.204 2.921 -7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.755 2.481 -6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.925 2.579 -7.528 1.00 0.00 H new ATOM 518 N GLY A 34 17.734 -3.135 -6.541 1.00 0.00 N ATOM 519 CA GLY A 34 18.614 -4.067 -5.780 1.00 0.00 C ATOM 520 C GLY A 34 18.038 -4.284 -4.378 1.00 0.00 C ATOM 521 O GLY A 34 18.760 -4.368 -3.405 1.00 0.00 O ATOM 0 H GLY A 34 16.792 -3.480 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.692 -5.020 -6.304 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.622 -3.658 -5.711 1.00 0.00 H new ATOM 525 N TRP A 35 16.741 -4.375 -4.268 1.00 0.00 N ATOM 526 CA TRP A 35 16.117 -4.586 -2.931 1.00 0.00 C ATOM 527 C TRP A 35 15.743 -6.064 -2.779 1.00 0.00 C ATOM 528 O TRP A 35 14.986 -6.607 -3.558 1.00 0.00 O ATOM 529 CB TRP A 35 14.861 -3.704 -2.817 1.00 0.00 C ATOM 530 CG TRP A 35 13.909 -4.267 -1.805 1.00 0.00 C ATOM 531 CD1 TRP A 35 14.063 -4.197 -0.463 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.663 -4.984 -2.037 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.988 -4.824 0.144 1.00 0.00 N ATOM 534 CE2 TRP A 35 12.098 -5.325 -0.786 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.973 -5.366 -3.202 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.891 -6.021 -0.696 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.760 -6.066 -3.114 1.00 0.00 C ATOM 538 CH2 TRP A 35 10.221 -6.393 -1.862 1.00 0.00 C ATOM 0 H TRP A 35 16.086 -4.312 -5.047 1.00 0.00 H new ATOM 0 HA TRP A 35 16.817 -4.313 -2.141 1.00 0.00 H new ATOM 0 HB2 TRP A 35 15.146 -2.691 -2.532 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.369 -3.635 -3.787 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.889 -3.729 0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.868 -4.906 1.154 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.380 -5.119 -4.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.478 -6.270 0.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 10.239 -6.354 -4.015 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.288 -6.933 -1.800 1.00 0.00 H new ATOM 549 N VAL A 36 16.264 -6.715 -1.775 1.00 0.00 N ATOM 550 CA VAL A 36 15.933 -8.152 -1.569 1.00 0.00 C ATOM 551 C VAL A 36 14.697 -8.254 -0.673 1.00 0.00 C ATOM 552 O VAL A 36 14.731 -7.901 0.488 1.00 0.00 O ATOM 553 CB VAL A 36 17.112 -8.858 -0.899 1.00 0.00 C ATOM 554 CG1 VAL A 36 17.284 -8.331 0.526 1.00 0.00 C ATOM 555 CG2 VAL A 36 16.846 -10.365 -0.854 1.00 0.00 C ATOM 0 H VAL A 36 16.904 -6.314 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 36 15.732 -8.626 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 36 18.020 -8.664 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 36 18.125 -8.836 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 36 17.474 -7.258 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.376 -8.523 1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 36 17.686 -10.869 -0.376 1.00 0.00 H new ATOM 0 HG22 VAL A 36 15.937 -10.557 -0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.725 -10.744 -1.869 1.00 0.00 H new ATOM 565 N ALA A 37 13.604 -8.726 -1.204 1.00 0.00 N ATOM 566 CA ALA A 37 12.366 -8.839 -0.383 1.00 0.00 C ATOM 567 C ALA A 37 12.590 -9.839 0.755 1.00 0.00 C ATOM 568 O ALA A 37 11.789 -9.948 1.662 1.00 0.00 O ATOM 569 CB ALA A 37 11.213 -9.320 -1.264 1.00 0.00 C ATOM 0 H ALA A 37 13.514 -9.038 -2.171 1.00 0.00 H new ATOM 0 HA ALA A 37 12.122 -7.863 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.307 -9.403 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.050 -8.606 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.459 -10.294 -1.686 1.00 0.00 H new ATOM 615 N ASN A 41 15.778 -5.019 3.068 1.00 0.00 N ATOM 616 CA ASN A 41 16.695 -3.881 3.358 1.00 0.00 C ATOM 617 C ASN A 41 16.330 -2.691 2.468 1.00 0.00 C ATOM 618 O ASN A 41 17.187 -2.033 1.913 1.00 0.00 O ATOM 619 CB ASN A 41 18.139 -4.303 3.079 1.00 0.00 C ATOM 620 CG ASN A 41 18.172 -5.257 1.883 1.00 0.00 C ATOM 621 OD1 ASN A 41 18.174 -6.459 2.051 1.00 0.00 O ATOM 622 ND2 ASN A 41 18.197 -4.766 0.674 1.00 0.00 N ATOM 0 HA ASN A 41 16.597 -3.595 4.405 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.752 -3.425 2.874 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.563 -4.790 3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 41 18.218 -5.393 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.195 -3.756 0.534 1.00 0.00 H new ATOM 629 N LEU A 42 15.064 -2.408 2.329 1.00 0.00 N ATOM 630 CA LEU A 42 14.644 -1.259 1.478 1.00 0.00 C ATOM 631 C LEU A 42 15.363 0.005 1.945 1.00 0.00 C ATOM 632 O LEU A 42 16.141 0.593 1.224 1.00 0.00 O ATOM 633 CB LEU A 42 13.133 -1.055 1.609 1.00 0.00 C ATOM 634 CG LEU A 42 12.605 -0.282 0.397 1.00 0.00 C ATOM 635 CD1 LEU A 42 13.072 -0.959 -0.891 1.00 0.00 C ATOM 636 CD2 LEU A 42 11.076 -0.266 0.431 1.00 0.00 C ATOM 0 H LEU A 42 14.301 -2.923 2.769 1.00 0.00 H new ATOM 0 HA LEU A 42 14.898 -1.464 0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.632 -2.020 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.909 -0.509 2.525 1.00 0.00 H new ATOM 0 HG LEU A 42 12.985 0.739 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.694 -0.406 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.162 -0.974 -0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.694 -1.981 -0.923 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.699 0.284 -0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.701 -1.289 0.402 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.737 0.218 1.347 1.00 0.00 H new ATOM 648 N ALA A 43 15.106 0.423 3.150 1.00 0.00 N ATOM 649 CA ALA A 43 15.769 1.652 3.675 1.00 0.00 C ATOM 650 C ALA A 43 17.249 1.666 3.274 1.00 0.00 C ATOM 651 O ALA A 43 17.867 2.709 3.192 1.00 0.00 O ATOM 652 CB ALA A 43 15.658 1.676 5.201 1.00 0.00 C ATOM 0 H ALA A 43 14.464 -0.033 3.798 1.00 0.00 H new ATOM 0 HA ALA A 43 15.277 2.529 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.142 2.573 5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.607 1.678 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.146 0.794 5.615 1.00 0.00 H new ATOM 658 N ASP A 44 17.828 0.520 3.034 1.00 0.00 N ATOM 659 CA ASP A 44 19.269 0.477 2.654 1.00 0.00 C ATOM 660 C ASP A 44 19.447 0.818 1.169 1.00 0.00 C ATOM 661 O ASP A 44 20.332 1.565 0.802 1.00 0.00 O ATOM 662 CB ASP A 44 19.821 -0.925 2.920 1.00 0.00 C ATOM 663 CG ASP A 44 21.228 -0.817 3.509 1.00 0.00 C ATOM 664 OD1 ASP A 44 21.336 -0.715 4.720 1.00 0.00 O ATOM 665 OD2 ASP A 44 22.174 -0.838 2.739 1.00 0.00 O ATOM 0 H ASP A 44 17.365 -0.388 3.085 1.00 0.00 H new ATOM 0 HA ASP A 44 19.810 1.212 3.250 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.167 -1.460 3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.846 -1.499 1.994 1.00 0.00 H new ATOM 670 N VAL A 45 18.632 0.269 0.307 1.00 0.00 N ATOM 671 CA VAL A 45 18.790 0.566 -1.150 1.00 0.00 C ATOM 672 C VAL A 45 17.867 1.716 -1.568 1.00 0.00 C ATOM 673 O VAL A 45 18.303 2.680 -2.167 1.00 0.00 O ATOM 674 CB VAL A 45 18.465 -0.684 -1.975 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.425 -1.813 -1.592 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.026 -1.131 -1.705 1.00 0.00 C ATOM 0 H VAL A 45 17.870 -0.367 0.544 1.00 0.00 H new ATOM 0 HA VAL A 45 19.823 0.862 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 45 18.576 -0.449 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.194 -2.702 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.450 -1.502 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.315 -2.040 -0.531 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.804 -2.020 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.909 -1.361 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.339 -0.331 -1.981 1.00 0.00 H new ATOM 686 N ALA A 46 16.599 1.631 -1.267 1.00 0.00 N ATOM 687 CA ALA A 46 15.670 2.728 -1.661 1.00 0.00 C ATOM 688 C ALA A 46 15.016 3.332 -0.413 1.00 0.00 C ATOM 689 O ALA A 46 13.857 3.091 -0.146 1.00 0.00 O ATOM 690 CB ALA A 46 14.583 2.166 -2.582 1.00 0.00 C ATOM 0 H ALA A 46 16.168 0.853 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 46 16.231 3.503 -2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.902 2.966 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.045 1.742 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.027 1.389 -2.057 1.00 0.00 H new ATOM 696 N PRO A 47 15.784 4.107 0.315 1.00 0.00 N ATOM 697 CA PRO A 47 15.297 4.767 1.541 1.00 0.00 C ATOM 698 C PRO A 47 14.170 5.746 1.204 1.00 0.00 C ATOM 699 O PRO A 47 13.955 6.089 0.058 1.00 0.00 O ATOM 700 CB PRO A 47 16.516 5.520 2.092 1.00 0.00 C ATOM 701 CG PRO A 47 17.693 5.297 1.108 1.00 0.00 C ATOM 702 CD PRO A 47 17.192 4.383 -0.021 1.00 0.00 C ATOM 0 HA PRO A 47 14.893 4.056 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.296 6.583 2.191 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.774 5.154 3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 47 18.039 6.248 0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.540 4.841 1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.279 4.870 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.774 3.463 -0.073 1.00 0.00 H new ATOM 710 N GLY A 48 13.448 6.200 2.193 1.00 0.00 N ATOM 711 CA GLY A 48 12.337 7.158 1.931 1.00 0.00 C ATOM 712 C GLY A 48 11.544 6.699 0.706 1.00 0.00 C ATOM 713 O GLY A 48 11.432 7.409 -0.275 1.00 0.00 O ATOM 0 H GLY A 48 13.580 5.948 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.682 7.217 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.737 8.158 1.764 1.00 0.00 H new ATOM 717 N LYS A 49 10.993 5.519 0.754 1.00 0.00 N ATOM 718 CA LYS A 49 10.208 5.016 -0.409 1.00 0.00 C ATOM 719 C LYS A 49 8.954 4.299 0.095 1.00 0.00 C ATOM 720 O LYS A 49 8.862 3.925 1.247 1.00 0.00 O ATOM 721 CB LYS A 49 11.064 4.039 -1.217 1.00 0.00 C ATOM 722 CG LYS A 49 11.281 4.594 -2.626 1.00 0.00 C ATOM 723 CD LYS A 49 12.040 5.920 -2.542 1.00 0.00 C ATOM 724 CE LYS A 49 12.665 6.237 -3.901 1.00 0.00 C ATOM 725 NZ LYS A 49 13.949 5.495 -4.044 1.00 0.00 N ATOM 0 H LYS A 49 11.052 4.881 1.547 1.00 0.00 H new ATOM 0 HA LYS A 49 9.918 5.854 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.024 3.886 -0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.574 3.067 -1.269 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.843 3.879 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.322 4.743 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.363 6.721 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.815 5.860 -1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.980 5.958 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.840 7.309 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.659 6.112 -4.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.286 5.200 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.800 4.654 -4.638 1.00 0.00 H new ATOM 739 N SER A 50 7.989 4.104 -0.760 1.00 0.00 N ATOM 740 CA SER A 50 6.742 3.412 -0.330 1.00 0.00 C ATOM 741 C SER A 50 6.424 2.280 -1.309 1.00 0.00 C ATOM 742 O SER A 50 6.466 2.456 -2.509 1.00 0.00 O ATOM 743 CB SER A 50 5.585 4.411 -0.313 1.00 0.00 C ATOM 744 OG SER A 50 6.018 5.620 0.295 1.00 0.00 O ATOM 0 H SER A 50 8.010 4.394 -1.738 1.00 0.00 H new ATOM 0 HA SER A 50 6.881 3.000 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.241 4.604 -1.329 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.740 3.997 0.236 1.00 0.00 H new ATOM 0 HG SER A 50 6.454 6.186 -0.376 1.00 0.00 H new ATOM 750 N ILE A 51 6.102 1.122 -0.805 1.00 0.00 N ATOM 751 CA ILE A 51 5.774 -0.018 -1.707 1.00 0.00 C ATOM 752 C ILE A 51 4.256 -0.105 -1.870 1.00 0.00 C ATOM 753 O ILE A 51 3.549 -0.495 -0.963 1.00 0.00 O ATOM 754 CB ILE A 51 6.296 -1.318 -1.094 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.742 -1.122 -0.621 1.00 0.00 C ATOM 756 CG2 ILE A 51 6.242 -2.434 -2.138 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.692 -1.153 -1.821 1.00 0.00 C ATOM 0 H ILE A 51 6.052 0.915 0.192 1.00 0.00 H new ATOM 0 HA ILE A 51 6.240 0.136 -2.680 1.00 0.00 H new ATOM 0 HB ILE A 51 5.674 -1.591 -0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.836 -0.171 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.011 -1.905 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.614 -3.360 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.212 -2.576 -2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.861 -2.163 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.717 -1.013 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.607 -2.114 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.429 -0.353 -2.514 1.00 0.00 H new ATOM 769 N GLY A 52 3.743 0.258 -3.016 1.00 0.00 N ATOM 770 CA GLY A 52 2.267 0.195 -3.217 1.00 0.00 C ATOM 771 C GLY A 52 1.955 0.066 -4.707 1.00 0.00 C ATOM 772 O GLY A 52 2.824 0.189 -5.548 1.00 0.00 O ATOM 0 H GLY A 52 4.279 0.593 -3.816 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.852 -0.654 -2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.797 1.092 -2.813 1.00 0.00 H new ATOM 776 N GLY A 53 0.718 -0.178 -5.041 1.00 0.00 N ATOM 777 CA GLY A 53 0.348 -0.313 -6.478 1.00 0.00 C ATOM 778 C GLY A 53 0.471 -1.777 -6.904 1.00 0.00 C ATOM 779 O GLY A 53 1.360 -2.145 -7.645 1.00 0.00 O ATOM 0 H GLY A 53 -0.052 -0.290 -4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.672 0.038 -6.636 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.998 0.311 -7.092 1.00 0.00 H new ATOM 783 N ASP A 54 -0.417 -2.614 -6.442 1.00 0.00 N ATOM 784 CA ASP A 54 -0.352 -4.053 -6.822 1.00 0.00 C ATOM 785 C ASP A 54 -1.720 -4.699 -6.596 1.00 0.00 C ATOM 786 O ASP A 54 -2.576 -4.145 -5.935 1.00 0.00 O ATOM 787 CB ASP A 54 0.695 -4.762 -5.961 1.00 0.00 C ATOM 788 CG ASP A 54 2.059 -4.686 -6.648 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.085 -4.643 -7.867 1.00 0.00 O ATOM 790 OD2 ASP A 54 3.056 -4.673 -5.944 1.00 0.00 O ATOM 0 H ASP A 54 -1.184 -2.364 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.076 -4.140 -7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.746 -4.298 -4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.411 -5.803 -5.808 1.00 0.00 H new ATOM 795 N ILE A 55 -1.935 -5.865 -7.139 1.00 0.00 N ATOM 796 CA ILE A 55 -3.249 -6.542 -6.951 1.00 0.00 C ATOM 797 C ILE A 55 -3.387 -6.983 -5.492 1.00 0.00 C ATOM 798 O ILE A 55 -2.414 -7.284 -4.830 1.00 0.00 O ATOM 799 CB ILE A 55 -3.329 -7.766 -7.864 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.268 -7.314 -9.324 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.645 -8.505 -7.614 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.579 -6.624 -9.702 1.00 0.00 C ATOM 0 H ILE A 55 -1.259 -6.378 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.054 -5.851 -7.202 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.493 -8.433 -7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.431 -6.631 -9.469 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.096 -8.172 -9.974 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.702 -9.377 -8.265 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.690 -8.825 -6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.482 -7.839 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.534 -6.302 -10.743 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.407 -7.321 -9.573 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.732 -5.756 -9.060 1.00 0.00 H new ATOM 814 N PHE A 56 -4.589 -7.024 -4.987 1.00 0.00 N ATOM 815 CA PHE A 56 -4.785 -7.447 -3.572 1.00 0.00 C ATOM 816 C PHE A 56 -5.527 -8.786 -3.537 1.00 0.00 C ATOM 817 O PHE A 56 -6.387 -9.053 -4.352 1.00 0.00 O ATOM 818 CB PHE A 56 -5.596 -6.382 -2.822 1.00 0.00 C ATOM 819 CG PHE A 56 -6.085 -6.950 -1.511 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.185 -7.152 -0.457 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.436 -7.276 -1.349 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.637 -7.680 0.758 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.888 -7.804 -0.134 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.989 -8.006 0.920 1.00 0.00 C ATOM 0 H PHE A 56 -5.442 -6.783 -5.492 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.814 -7.561 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.980 -5.501 -2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.442 -6.060 -3.429 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.142 -6.900 -0.582 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.130 -7.120 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.943 -7.836 1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.931 -8.056 -0.010 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.338 -8.413 1.857 1.00 0.00 H new ATOM 905 N LYS A 62 -12.411 -10.132 2.247 1.00 0.00 N ATOM 906 CA LYS A 62 -12.212 -9.128 3.330 1.00 0.00 C ATOM 907 C LYS A 62 -12.476 -7.725 2.780 1.00 0.00 C ATOM 908 O LYS A 62 -12.588 -6.767 3.518 1.00 0.00 O ATOM 909 CB LYS A 62 -10.777 -9.215 3.851 1.00 0.00 C ATOM 910 CG LYS A 62 -10.436 -10.673 4.168 1.00 0.00 C ATOM 911 CD LYS A 62 -11.088 -11.073 5.493 1.00 0.00 C ATOM 912 CE LYS A 62 -10.475 -10.254 6.631 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.560 -9.582 7.399 1.00 0.00 N ATOM 0 HA LYS A 62 -12.905 -9.332 4.147 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.084 -8.822 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.666 -8.602 4.745 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.788 -11.322 3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.355 -10.800 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -12.164 -10.903 5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -10.941 -12.137 5.676 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.897 -10.902 7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.786 -9.511 6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.144 -9.025 8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.094 -8.952 6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.201 -10.299 7.794 1.00 0.00 H new ATOM 927 N LEU A 63 -12.585 -7.603 1.488 1.00 0.00 N ATOM 928 CA LEU A 63 -12.854 -6.271 0.878 1.00 0.00 C ATOM 929 C LEU A 63 -14.141 -6.353 0.054 1.00 0.00 C ATOM 930 O LEU A 63 -14.455 -7.391 -0.496 1.00 0.00 O ATOM 931 CB LEU A 63 -11.695 -5.879 -0.043 1.00 0.00 C ATOM 932 CG LEU A 63 -10.480 -5.455 0.786 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.262 -5.340 -0.129 1.00 0.00 C ATOM 934 CD2 LEU A 63 -10.746 -4.094 1.433 1.00 0.00 C ATOM 0 H LEU A 63 -12.499 -8.372 0.824 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.958 -5.525 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.431 -6.719 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.001 -5.062 -0.697 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.296 -6.198 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.394 -5.038 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.066 -6.305 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.456 -4.595 -0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.879 -3.796 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.930 -3.352 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.619 -4.164 2.082 1.00 0.00 H new ATOM 946 N PRO A 64 -14.850 -5.256 -0.011 1.00 0.00 N ATOM 947 CA PRO A 64 -16.110 -5.182 -0.770 1.00 0.00 C ATOM 948 C PRO A 64 -15.850 -5.482 -2.249 1.00 0.00 C ATOM 949 O PRO A 64 -15.463 -4.617 -3.008 1.00 0.00 O ATOM 950 CB PRO A 64 -16.595 -3.738 -0.587 1.00 0.00 C ATOM 951 CG PRO A 64 -15.556 -3.001 0.298 1.00 0.00 C ATOM 952 CD PRO A 64 -14.454 -4.008 0.663 1.00 0.00 C ATOM 0 HA PRO A 64 -16.848 -5.906 -0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.695 -3.243 -1.553 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.578 -3.721 -0.117 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.134 -2.150 -0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.030 -2.610 1.198 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.477 -3.667 0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.385 -4.145 1.742 1.00 0.00 H new ATOM 960 N GLY A 65 -16.057 -6.703 -2.663 1.00 0.00 N ATOM 961 CA GLY A 65 -15.818 -7.057 -4.091 1.00 0.00 C ATOM 962 C GLY A 65 -17.051 -6.701 -4.922 1.00 0.00 C ATOM 963 O GLY A 65 -18.131 -6.511 -4.399 1.00 0.00 O ATOM 0 H GLY A 65 -16.381 -7.470 -2.074 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -14.946 -6.522 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.602 -8.122 -4.181 1.00 0.00 H new ATOM 1031 N THR A 70 -11.203 -5.176 -9.283 1.00 0.00 N ATOM 1032 CA THR A 70 -9.870 -5.636 -8.801 1.00 0.00 C ATOM 1033 C THR A 70 -9.390 -4.707 -7.685 1.00 0.00 C ATOM 1034 O THR A 70 -9.372 -3.502 -7.834 1.00 0.00 O ATOM 1035 CB THR A 70 -8.870 -5.605 -9.959 1.00 0.00 C ATOM 1036 OG1 THR A 70 -9.192 -6.631 -10.888 1.00 0.00 O ATOM 1037 CG2 THR A 70 -7.456 -5.827 -9.420 1.00 0.00 C ATOM 0 HA THR A 70 -9.949 -6.654 -8.420 1.00 0.00 H new ATOM 0 HB THR A 70 -8.919 -4.636 -10.456 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.165 -6.691 -10.984 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.744 -5.805 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.210 -5.039 -8.708 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.404 -6.795 -8.922 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.005 -5.256 -6.565 1.00 0.00 N ATOM 1046 CA TRP A 71 -8.533 -4.397 -5.443 1.00 0.00 C ATOM 1047 C TRP A 71 -7.029 -4.159 -5.565 1.00 0.00 C ATOM 1048 O TRP A 71 -6.285 -5.013 -6.002 1.00 0.00 O ATOM 1049 CB TRP A 71 -8.823 -5.089 -4.107 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.226 -4.797 -3.687 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.314 -5.472 -4.115 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -10.712 -3.775 -2.769 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.439 -4.928 -3.522 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.120 -3.879 -2.685 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.075 -2.778 -2.009 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -12.871 -3.022 -1.877 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -10.828 -1.916 -1.194 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.222 -2.038 -1.130 1.00 0.00 C ATOM 0 H TRP A 71 -8.997 -6.259 -6.379 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.057 -3.442 -5.486 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.678 -6.165 -4.204 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.125 -4.741 -3.346 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.307 -6.301 -4.807 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.389 -5.262 -3.684 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.001 -2.674 -2.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -13.946 -3.120 -1.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.329 -1.155 -0.613 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.794 -1.371 -0.503 1.00 0.00 H new ATOM 1069 N ARG A 72 -6.578 -3.007 -5.161 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.123 -2.704 -5.223 1.00 0.00 C ATOM 1071 C ARG A 72 -4.644 -2.399 -3.805 1.00 0.00 C ATOM 1072 O ARG A 72 -5.336 -1.761 -3.037 1.00 0.00 O ATOM 1073 CB ARG A 72 -4.882 -1.491 -6.123 1.00 0.00 C ATOM 1074 CG ARG A 72 -4.565 -1.960 -7.543 1.00 0.00 C ATOM 1075 CD ARG A 72 -3.810 -0.859 -8.288 1.00 0.00 C ATOM 1076 NE ARG A 72 -4.684 -0.287 -9.351 1.00 0.00 N ATOM 1077 CZ ARG A 72 -4.371 0.850 -9.911 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -3.337 0.925 -10.703 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -5.093 1.913 -9.678 1.00 0.00 N ATOM 0 H ARG A 72 -7.159 -2.256 -4.788 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.577 -3.553 -5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -5.763 -0.850 -6.129 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.057 -0.895 -5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.965 -2.869 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -5.487 -2.204 -8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.507 -0.077 -7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.899 -1.263 -8.730 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.526 -0.784 -9.641 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.773 0.095 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.093 1.814 -11.140 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.901 1.855 -9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.849 2.801 -10.115 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.484 -2.858 -3.438 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.004 -2.596 -2.055 1.00 0.00 C ATOM 1095 C GLU A 73 -1.873 -1.563 -2.065 1.00 0.00 C ATOM 1096 O GLU A 73 -1.246 -1.314 -3.078 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.495 -3.900 -1.439 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.414 -4.502 -2.340 1.00 0.00 C ATOM 1099 CD GLU A 73 -0.125 -4.688 -1.538 1.00 0.00 C ATOM 1100 OE1 GLU A 73 0.393 -3.698 -1.049 1.00 0.00 O ATOM 1101 OE2 GLU A 73 0.322 -5.819 -1.426 1.00 0.00 O ATOM 0 H GLU A 73 -2.852 -3.398 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.832 -2.204 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.091 -3.711 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.318 -4.604 -1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.749 -5.460 -2.737 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.232 -3.849 -3.194 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.606 -0.968 -0.933 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.517 0.042 -0.849 1.00 0.00 C ATOM 1110 C ALA A 74 0.147 -0.048 0.526 1.00 0.00 C ATOM 1111 O ALA A 74 -0.489 -0.369 1.512 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.096 1.444 -1.042 1.00 0.00 C ATOM 0 H ALA A 74 -2.101 -1.141 -0.058 1.00 0.00 H new ATOM 0 HA ALA A 74 0.219 -0.153 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.295 2.180 -0.980 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.573 1.509 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.833 1.643 -0.264 1.00 0.00 H new ATOM 1118 N ASP A 75 1.418 0.234 0.599 1.00 0.00 N ATOM 1119 CA ASP A 75 2.124 0.163 1.911 1.00 0.00 C ATOM 1120 C ASP A 75 1.692 1.337 2.788 1.00 0.00 C ATOM 1121 O ASP A 75 1.509 2.442 2.318 1.00 0.00 O ATOM 1122 CB ASP A 75 3.635 0.228 1.680 1.00 0.00 C ATOM 1123 CG ASP A 75 4.199 -1.192 1.586 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.526 -2.038 1.019 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.292 -1.409 2.082 1.00 0.00 O ATOM 0 H ASP A 75 1.999 0.511 -0.192 1.00 0.00 H new ATOM 0 HA ASP A 75 1.872 -0.773 2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.850 0.777 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.115 0.768 2.496 1.00 0.00 H new ATOM 1130 N ILE A 76 1.527 1.110 4.064 1.00 0.00 N ATOM 1131 CA ILE A 76 1.107 2.217 4.966 1.00 0.00 C ATOM 1132 C ILE A 76 1.944 2.180 6.246 1.00 0.00 C ATOM 1133 O ILE A 76 2.193 1.131 6.808 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.372 2.050 5.316 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.216 2.265 4.058 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.768 3.079 6.377 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.220 3.751 3.690 1.00 0.00 C ATOM 0 H ILE A 76 1.665 0.207 4.518 1.00 0.00 H new ATOM 0 HA ILE A 76 1.257 3.173 4.465 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.543 1.046 5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.814 1.677 3.233 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.236 1.919 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.823 2.958 6.625 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.165 2.929 7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.599 4.084 5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.822 3.902 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.642 4.328 4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.199 4.082 3.502 1.00 0.00 H new ATOM 1149 N ASN A 77 2.381 3.318 6.712 1.00 0.00 N ATOM 1150 CA ASN A 77 3.204 3.351 7.954 1.00 0.00 C ATOM 1151 C ASN A 77 4.593 2.780 7.661 1.00 0.00 C ATOM 1152 O ASN A 77 5.167 2.074 8.466 1.00 0.00 O ATOM 1153 CB ASN A 77 2.524 2.510 9.038 1.00 0.00 C ATOM 1154 CG ASN A 77 2.143 3.410 10.215 1.00 0.00 C ATOM 1155 OD1 ASN A 77 1.824 4.569 10.031 1.00 0.00 O ATOM 1156 ND2 ASN A 77 2.161 2.925 11.426 1.00 0.00 N ATOM 0 H ASN A 77 2.203 4.227 6.286 1.00 0.00 H new ATOM 0 HA ASN A 77 3.300 4.380 8.299 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.635 2.026 8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.194 1.718 9.373 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.908 3.518 12.217 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.428 1.953 11.582 1.00 0.00 H new ATOM 1163 N TYR A 78 5.135 3.078 6.512 1.00 0.00 N ATOM 1164 CA TYR A 78 6.478 2.554 6.163 1.00 0.00 C ATOM 1165 C TYR A 78 7.536 3.231 7.038 1.00 0.00 C ATOM 1166 O TYR A 78 7.503 4.426 7.254 1.00 0.00 O ATOM 1167 CB TYR A 78 6.768 2.842 4.687 1.00 0.00 C ATOM 1168 CG TYR A 78 8.229 2.595 4.397 1.00 0.00 C ATOM 1169 CD1 TYR A 78 8.662 1.322 4.010 1.00 0.00 C ATOM 1170 CD2 TYR A 78 9.151 3.642 4.515 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.017 1.094 3.741 1.00 0.00 C ATOM 1172 CE2 TYR A 78 10.506 3.415 4.246 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.939 2.141 3.859 1.00 0.00 C ATOM 1174 OH TYR A 78 12.275 1.918 3.595 1.00 0.00 O ATOM 0 H TYR A 78 4.701 3.665 5.800 1.00 0.00 H new ATOM 0 HA TYR A 78 6.505 1.478 6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.149 2.206 4.054 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.510 3.874 4.451 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.950 0.515 3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.817 4.625 4.814 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.351 0.111 3.443 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.217 4.223 4.337 1.00 0.00 H new ATOM 0 HH TYR A 78 12.777 2.750 3.723 1.00 0.00 H new ATOM 1184 N THR A 79 8.475 2.477 7.540 1.00 0.00 N ATOM 1185 CA THR A 79 9.535 3.076 8.399 1.00 0.00 C ATOM 1186 C THR A 79 10.903 2.634 7.896 1.00 0.00 C ATOM 1187 O THR A 79 11.592 3.354 7.201 1.00 0.00 O ATOM 1188 CB THR A 79 9.347 2.609 9.844 1.00 0.00 C ATOM 1189 OG1 THR A 79 8.878 1.267 9.847 1.00 0.00 O ATOM 1190 CG2 THR A 79 8.330 3.509 10.547 1.00 0.00 C ATOM 0 H THR A 79 8.554 1.471 7.392 1.00 0.00 H new ATOM 0 HA THR A 79 9.465 4.163 8.358 1.00 0.00 H new ATOM 0 HB THR A 79 10.300 2.664 10.371 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.758 0.964 10.771 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.198 3.174 11.576 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.691 4.538 10.543 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.375 3.458 10.023 1.00 0.00 H new ATOM 1198 N SER A 80 11.295 1.452 8.249 1.00 0.00 N ATOM 1199 CA SER A 80 12.620 0.934 7.806 1.00 0.00 C ATOM 1200 C SER A 80 12.710 -0.564 8.103 1.00 0.00 C ATOM 1201 O SER A 80 11.776 -1.167 8.593 1.00 0.00 O ATOM 1202 CB SER A 80 13.731 1.670 8.556 1.00 0.00 C ATOM 1203 OG SER A 80 13.925 2.951 7.972 1.00 0.00 O ATOM 0 H SER A 80 10.754 0.812 8.831 1.00 0.00 H new ATOM 0 HA SER A 80 12.733 1.098 6.734 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.468 1.774 9.609 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.656 1.095 8.514 1.00 0.00 H new ATOM 0 HG SER A 80 13.286 3.077 7.240 1.00 0.00 H new ATOM 1209 N GLY A 81 13.829 -1.170 7.810 1.00 0.00 N ATOM 1210 CA GLY A 81 13.979 -2.628 8.077 1.00 0.00 C ATOM 1211 C GLY A 81 12.971 -3.410 7.234 1.00 0.00 C ATOM 1212 O GLY A 81 12.520 -2.952 6.202 1.00 0.00 O ATOM 0 H GLY A 81 14.645 -0.718 7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.993 -2.949 7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.819 -2.832 9.136 1.00 0.00 H new ATOM 1216 N PHE A 82 12.613 -4.590 7.664 1.00 0.00 N ATOM 1217 CA PHE A 82 11.635 -5.402 6.887 1.00 0.00 C ATOM 1218 C PHE A 82 10.416 -4.544 6.542 1.00 0.00 C ATOM 1219 O PHE A 82 10.310 -3.407 6.956 1.00 0.00 O ATOM 1220 CB PHE A 82 11.189 -6.603 7.727 1.00 0.00 C ATOM 1221 CG PHE A 82 11.978 -7.824 7.318 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.208 -8.099 7.927 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.478 -8.681 6.330 1.00 0.00 C ATOM 1224 CE1 PHE A 82 13.938 -9.232 7.549 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.209 -9.813 5.951 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.439 -10.090 6.561 1.00 0.00 C ATOM 0 H PHE A 82 12.956 -5.026 8.520 1.00 0.00 H new ATOM 0 HA PHE A 82 12.105 -5.752 5.968 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.342 -6.396 8.786 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.123 -6.782 7.588 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.594 -7.437 8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.529 -8.469 5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.887 -9.445 8.020 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.824 -10.473 5.188 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.002 -10.964 6.270 1.00 0.00 H new ATOM 1236 N ARG A 83 9.498 -5.080 5.788 1.00 0.00 N ATOM 1237 CA ARG A 83 8.286 -4.294 5.417 1.00 0.00 C ATOM 1238 C ARG A 83 7.526 -3.903 6.686 1.00 0.00 C ATOM 1239 O ARG A 83 8.071 -3.906 7.772 1.00 0.00 O ATOM 1240 CB ARG A 83 7.381 -5.143 4.521 1.00 0.00 C ATOM 1241 CG ARG A 83 8.186 -5.666 3.330 1.00 0.00 C ATOM 1242 CD ARG A 83 8.647 -4.489 2.468 1.00 0.00 C ATOM 1243 NE ARG A 83 7.477 -3.900 1.755 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.525 -4.674 1.307 1.00 0.00 C ATOM 1245 NH1 ARG A 83 6.724 -5.406 0.245 1.00 0.00 N ATOM 1246 NH2 ARG A 83 5.375 -4.717 1.922 1.00 0.00 N ATOM 0 H ARG A 83 9.533 -6.028 5.412 1.00 0.00 H new ATOM 0 HA ARG A 83 8.586 -3.394 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.969 -5.977 5.089 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.538 -4.548 4.170 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.048 -6.233 3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.576 -6.348 2.737 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.123 -3.733 3.092 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.393 -4.824 1.748 1.00 0.00 H new ATOM 0 HE ARG A 83 7.420 -2.891 1.617 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.623 -5.374 -0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.980 -6.010 -0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.219 -4.146 2.753 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.632 -5.321 1.572 1.00 0.00 H new ATOM 1260 N ASN A 84 6.273 -3.567 6.559 1.00 0.00 N ATOM 1261 CA ASN A 84 5.481 -3.177 7.760 1.00 0.00 C ATOM 1262 C ASN A 84 4.255 -4.085 7.879 1.00 0.00 C ATOM 1263 O ASN A 84 4.107 -5.045 7.150 1.00 0.00 O ATOM 1264 CB ASN A 84 5.026 -1.723 7.620 1.00 0.00 C ATOM 1265 CG ASN A 84 4.756 -1.409 6.147 1.00 0.00 C ATOM 1266 OD1 ASN A 84 3.613 -1.751 5.617 1.00 0.00 O flip ATOM 1267 ND2 ASN A 84 5.595 -0.847 5.470 1.00 0.00 N flip ATOM 0 H ASN A 84 5.763 -3.545 5.676 1.00 0.00 H new ATOM 0 HA ASN A 84 6.099 -3.281 8.652 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.124 -1.555 8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.792 -1.053 8.011 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.488 -0.579 5.883 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.406 -0.643 4.489 1.00 0.00 H new ATOM 1274 N SER A 85 3.375 -3.788 8.795 1.00 0.00 N ATOM 1275 CA SER A 85 2.159 -4.634 8.962 1.00 0.00 C ATOM 1276 C SER A 85 0.914 -3.812 8.621 1.00 0.00 C ATOM 1277 O SER A 85 -0.201 -4.289 8.716 1.00 0.00 O ATOM 1278 CB SER A 85 2.070 -5.117 10.409 1.00 0.00 C ATOM 1279 OG SER A 85 2.885 -4.293 11.232 1.00 0.00 O ATOM 0 H SER A 85 3.445 -2.997 9.435 1.00 0.00 H new ATOM 0 HA SER A 85 2.220 -5.494 8.295 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.036 -5.084 10.752 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.396 -6.155 10.478 1.00 0.00 H new ATOM 0 HG SER A 85 2.828 -4.600 12.161 1.00 0.00 H new ATOM 1285 N ASP A 86 1.090 -2.581 8.222 1.00 0.00 N ATOM 1286 CA ASP A 86 -0.086 -1.735 7.876 1.00 0.00 C ATOM 1287 C ASP A 86 -0.131 -1.515 6.363 1.00 0.00 C ATOM 1288 O ASP A 86 0.854 -1.159 5.744 1.00 0.00 O ATOM 1289 CB ASP A 86 0.029 -0.384 8.584 1.00 0.00 C ATOM 1290 CG ASP A 86 0.458 -0.601 10.037 1.00 0.00 C ATOM 1291 OD1 ASP A 86 -0.401 -0.904 10.849 1.00 0.00 O ATOM 1292 OD2 ASP A 86 1.638 -0.461 10.312 1.00 0.00 O ATOM 0 H ASP A 86 1.997 -2.126 8.121 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.999 -2.237 8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.755 0.247 8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.927 0.138 8.551 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.270 -1.721 5.763 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.384 -1.523 4.290 1.00 0.00 C ATOM 1299 C ARG A 87 -2.802 -1.063 3.952 1.00 0.00 C ATOM 1300 O ARG A 87 -3.766 -1.540 4.511 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.092 -2.844 3.573 1.00 0.00 C ATOM 1302 CG ARG A 87 0.419 -3.081 3.536 1.00 0.00 C ATOM 1303 CD ARG A 87 0.834 -3.517 2.128 1.00 0.00 C ATOM 1304 NE ARG A 87 1.763 -4.682 2.217 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.637 -4.752 3.184 1.00 0.00 C ATOM 1306 NH1 ARG A 87 3.242 -3.671 3.596 1.00 0.00 N ATOM 1307 NH2 ARG A 87 2.908 -5.903 3.737 1.00 0.00 N ATOM 0 H ARG A 87 -2.128 -2.018 6.229 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.667 -0.769 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.587 -3.667 4.088 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.491 -2.816 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.948 -2.170 3.817 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.696 -3.846 4.261 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.047 -3.786 1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.320 -2.691 1.609 1.00 0.00 H new ATOM 0 HE ARG A 87 1.715 -5.425 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.032 -2.772 3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.925 -3.725 4.352 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.437 -6.748 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.591 -5.958 4.493 1.00 0.00 H new ATOM 1321 N ILE A 88 -2.941 -0.137 3.043 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.305 0.344 2.684 1.00 0.00 C ATOM 1323 C ILE A 88 -4.767 -0.339 1.396 1.00 0.00 C ATOM 1324 O ILE A 88 -3.991 -0.575 0.492 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.278 1.860 2.484 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.710 2.382 2.344 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.493 2.197 1.218 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -5.750 3.863 2.726 1.00 0.00 C ATOM 0 H ILE A 88 -2.174 0.305 2.536 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.999 0.100 3.489 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.799 2.328 3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.059 2.250 1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.381 1.811 2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.475 3.278 1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.472 1.827 1.313 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.970 1.727 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.769 4.237 2.627 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.419 3.982 3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.091 4.427 2.066 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.029 -0.662 1.310 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.549 -1.333 0.086 1.00 0.00 C ATOM 1342 C LEU A 89 -7.551 -0.413 -0.613 1.00 0.00 C ATOM 1343 O LEU A 89 -8.608 -0.131 -0.094 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.260 -2.634 0.478 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.236 -3.672 0.938 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.182 -3.861 -0.149 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.562 -3.193 2.225 1.00 0.00 C ATOM 0 H LEU A 89 -6.723 -0.489 2.037 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.718 -1.553 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.977 -2.440 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.825 -3.020 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.740 -4.620 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.451 -4.601 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.662 -4.205 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.679 -2.912 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.832 -3.934 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.058 -2.244 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.315 -3.059 3.002 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.242 0.048 -1.793 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.208 0.930 -2.508 1.00 0.00 C ATOM 1361 C TYR A 90 -8.806 0.154 -3.681 1.00 0.00 C ATOM 1362 O TYR A 90 -8.116 -0.567 -4.370 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.504 2.180 -3.031 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.157 1.809 -3.605 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.055 1.645 -2.757 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.010 1.633 -4.985 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.806 1.303 -3.291 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.762 1.292 -5.519 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.660 1.127 -4.671 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.430 0.790 -5.198 1.00 0.00 O ATOM 0 H TYR A 90 -6.372 -0.145 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.994 1.237 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.115 2.659 -3.796 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.379 2.902 -2.224 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.168 1.782 -1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.860 1.760 -5.639 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.956 1.175 -2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.649 1.156 -6.584 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.988 0.143 -4.609 1.00 0.00 H new ATOM 1380 N SER A 91 -10.084 0.280 -3.913 1.00 0.00 N ATOM 1381 CA SER A 91 -10.700 -0.480 -5.043 1.00 0.00 C ATOM 1382 C SER A 91 -11.142 0.471 -6.160 1.00 0.00 C ATOM 1383 O SER A 91 -11.016 1.675 -6.059 1.00 0.00 O ATOM 1384 CB SER A 91 -11.908 -1.268 -4.540 1.00 0.00 C ATOM 1385 OG SER A 91 -12.404 -0.672 -3.354 1.00 0.00 O ATOM 0 H SER A 91 -10.723 0.868 -3.378 1.00 0.00 H new ATOM 0 HA SER A 91 -9.953 -1.167 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.686 -1.286 -5.303 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.625 -2.303 -4.348 1.00 0.00 H new ATOM 0 HG SER A 91 -12.225 -1.261 -2.592 1.00 0.00 H new ATOM 1391 N SER A 92 -11.649 -0.077 -7.235 1.00 0.00 N ATOM 1392 CA SER A 92 -12.090 0.771 -8.379 1.00 0.00 C ATOM 1393 C SER A 92 -13.280 1.636 -7.972 1.00 0.00 C ATOM 1394 O SER A 92 -13.555 2.652 -8.581 1.00 0.00 O ATOM 1395 CB SER A 92 -12.487 -0.125 -9.552 1.00 0.00 C ATOM 1396 OG SER A 92 -13.891 -0.346 -9.520 1.00 0.00 O ATOM 0 H SER A 92 -11.776 -1.080 -7.368 1.00 0.00 H new ATOM 0 HA SER A 92 -11.267 1.422 -8.674 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.202 0.343 -10.494 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.956 -1.075 -9.495 1.00 0.00 H new ATOM 0 HG SER A 92 -14.149 -0.919 -10.272 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.983 1.254 -6.950 1.00 0.00 N ATOM 1403 CA ASP A 93 -15.143 2.066 -6.515 1.00 0.00 C ATOM 1404 C ASP A 93 -14.666 3.115 -5.511 1.00 0.00 C ATOM 1405 O ASP A 93 -15.451 3.757 -4.840 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.204 1.166 -5.879 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.757 0.745 -4.480 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.560 0.697 -4.251 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.621 0.474 -3.662 1.00 0.00 O ATOM 0 H ASP A 93 -13.805 0.415 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.587 2.564 -7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.156 1.695 -5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.365 0.284 -6.500 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.378 3.302 -5.424 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.820 4.317 -4.492 1.00 0.00 C ATOM 1416 C TRP A 94 -13.037 3.903 -3.038 1.00 0.00 C ATOM 1417 O TRP A 94 -13.079 4.730 -2.150 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.479 5.668 -4.755 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.557 6.487 -5.595 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.928 7.238 -6.655 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -11.115 6.632 -5.470 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.802 7.846 -7.185 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.658 7.501 -6.487 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -10.168 6.100 -4.577 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.308 7.830 -6.614 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.810 6.427 -4.703 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.380 7.290 -5.719 1.00 0.00 C ATOM 0 H TRP A 94 -12.683 2.788 -5.965 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.747 4.394 -4.665 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.434 5.532 -5.263 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.688 6.177 -3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.936 7.346 -7.028 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.814 8.471 -7.991 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.489 5.435 -3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.982 8.497 -7.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.091 6.011 -4.012 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.333 7.538 -5.811 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.141 2.630 -2.777 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.313 2.185 -1.368 1.00 0.00 C ATOM 1440 C LEU A 95 -11.922 2.015 -0.762 1.00 0.00 C ATOM 1441 O LEU A 95 -11.056 1.393 -1.350 1.00 0.00 O ATOM 1442 CB LEU A 95 -14.057 0.847 -1.327 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.556 1.087 -1.138 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.265 -0.250 -0.924 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.786 1.982 0.082 1.00 0.00 C ATOM 0 H LEU A 95 -13.115 1.884 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.892 2.919 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.882 0.296 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.673 0.233 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.956 1.575 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.333 -0.078 -0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.107 -0.889 -1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.861 -0.738 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.855 2.151 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.383 1.496 0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.284 2.938 -0.068 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.686 2.578 0.393 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.336 2.454 1.006 1.00 0.00 C ATOM 1459 C ILE A 96 -10.432 1.776 2.374 1.00 0.00 C ATOM 1460 O ILE A 96 -10.902 2.349 3.340 1.00 0.00 O ATOM 1461 CB ILE A 96 -9.717 3.844 1.170 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -9.983 4.674 -0.089 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.210 3.704 1.373 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.380 6.070 0.082 1.00 0.00 C ATOM 0 H ILE A 96 -12.365 3.114 0.933 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.709 1.846 0.353 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.160 4.340 2.033 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -9.548 4.183 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.056 4.749 -0.268 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.765 4.692 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.017 3.111 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.771 3.209 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.570 6.660 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.835 6.560 0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.305 5.985 0.240 1.00 0.00 H new ATOM 1476 N TYR A 97 -9.968 0.559 2.461 1.00 0.00 N ATOM 1477 CA TYR A 97 -9.998 -0.174 3.754 1.00 0.00 C ATOM 1478 C TYR A 97 -8.571 -0.256 4.295 1.00 0.00 C ATOM 1479 O TYR A 97 -7.723 -0.915 3.729 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.539 -1.586 3.528 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.044 -1.576 3.638 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.657 -1.726 4.887 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.826 -1.417 2.488 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.054 -1.718 4.987 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.222 -1.410 2.588 1.00 0.00 C ATOM 1486 CZ TYR A 97 -14.836 -1.559 3.836 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.212 -1.552 3.934 1.00 0.00 O ATOM 0 H TYR A 97 -9.566 0.038 1.682 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.641 0.345 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.239 -1.948 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.115 -2.270 4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.053 -1.848 5.774 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.353 -1.300 1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.528 -1.834 5.951 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.826 -1.289 1.701 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.603 -1.431 3.043 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.291 0.411 5.378 1.00 0.00 N ATOM 1498 CA LYS A 98 -6.909 0.372 5.933 1.00 0.00 C ATOM 1499 C LYS A 98 -6.774 -0.802 6.902 1.00 0.00 C ATOM 1500 O LYS A 98 -7.613 -1.016 7.756 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.627 1.677 6.680 1.00 0.00 C ATOM 1502 CG LYS A 98 -7.786 1.982 7.631 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.243 2.621 8.911 1.00 0.00 C ATOM 1504 CE LYS A 98 -8.125 3.808 9.304 1.00 0.00 C ATOM 1505 NZ LYS A 98 -7.555 4.472 10.510 1.00 0.00 N ATOM 0 H LYS A 98 -8.956 0.980 5.902 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.196 0.251 5.117 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.696 1.594 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.500 2.495 5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.497 2.654 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.325 1.065 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.223 1.887 9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.216 2.953 8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.186 4.518 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.140 3.468 9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.154 5.279 10.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.519 3.792 11.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.594 4.809 10.299 1.00 0.00 H new ATOM 1519 N THR A 99 -5.719 -1.560 6.781 1.00 0.00 N ATOM 1520 CA THR A 99 -5.519 -2.714 7.699 1.00 0.00 C ATOM 1521 C THR A 99 -4.259 -2.472 8.536 1.00 0.00 C ATOM 1522 O THR A 99 -3.182 -2.276 8.007 1.00 0.00 O ATOM 1523 CB THR A 99 -5.355 -4.004 6.892 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.545 -4.914 7.623 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.691 -3.693 5.550 1.00 0.00 C ATOM 0 H THR A 99 -4.986 -1.429 6.084 1.00 0.00 H new ATOM 0 HA THR A 99 -6.387 -2.813 8.351 1.00 0.00 H new ATOM 0 HB THR A 99 -6.335 -4.447 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.979 -5.126 8.476 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.576 -4.614 4.979 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.312 -2.994 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.711 -3.249 5.723 1.00 0.00 H new ATOM 1533 N THR A 100 -4.387 -2.476 9.835 1.00 0.00 N ATOM 1534 CA THR A 100 -3.197 -2.238 10.701 1.00 0.00 C ATOM 1535 C THR A 100 -2.738 -3.557 11.326 1.00 0.00 C ATOM 1536 O THR A 100 -2.143 -3.579 12.385 1.00 0.00 O ATOM 1537 CB THR A 100 -3.566 -1.252 11.812 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.559 -1.832 12.646 1.00 0.00 O ATOM 1539 CG2 THR A 100 -4.107 0.038 11.192 1.00 0.00 C ATOM 0 H THR A 100 -5.263 -2.634 10.334 1.00 0.00 H new ATOM 0 HA THR A 100 -2.389 -1.826 10.096 1.00 0.00 H new ATOM 0 HB THR A 100 -2.681 -1.024 12.405 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.795 -1.203 13.359 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.370 0.740 11.984 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.344 0.482 10.552 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.993 -0.187 10.598 1.00 0.00 H new ATOM 1547 N ASP A 101 -3.006 -4.660 10.680 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.579 -5.971 11.242 1.00 0.00 C ATOM 1549 C ASP A 101 -2.299 -6.952 10.102 1.00 0.00 C ATOM 1550 O ASP A 101 -2.394 -8.153 10.265 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.687 -6.531 12.137 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.022 -6.479 11.393 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.010 -6.143 10.220 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.033 -6.778 12.006 1.00 0.00 O ATOM 0 H ASP A 101 -3.501 -4.709 9.790 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.672 -5.832 11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.456 -7.558 12.419 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.750 -5.953 13.059 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.954 -6.451 8.947 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.667 -7.354 7.796 1.00 0.00 C ATOM 1561 C HIS A 102 -2.981 -7.883 7.222 1.00 0.00 C ATOM 1562 O HIS A 102 -3.333 -9.031 7.409 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.807 -8.530 8.266 1.00 0.00 C ATOM 1564 CG HIS A 102 -0.150 -9.175 7.077 1.00 0.00 C ATOM 1565 ND1 HIS A 102 -0.429 -10.478 6.695 1.00 0.00 N ATOM 1566 CD2 HIS A 102 0.773 -8.709 6.175 1.00 0.00 C ATOM 1567 CE1 HIS A 102 0.314 -10.749 5.606 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.065 -9.704 5.246 1.00 0.00 N ATOM 0 H HIS A 102 -1.858 -5.455 8.751 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.131 -6.798 7.027 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.050 -8.183 8.970 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.424 -9.258 8.794 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.207 -7.720 6.184 1.00 0.00 H new ATOM 0 HE1 HIS A 102 0.304 -11.696 5.086 1.00 0.00 H new ATOM 0 HE2 HIS A 102 1.713 -9.647 4.460 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.705 -7.056 6.519 1.00 0.00 N ATOM 1577 CA TYR A 103 -4.996 -7.507 5.926 1.00 0.00 C ATOM 1578 C TYR A 103 -5.762 -8.361 6.942 1.00 0.00 C ATOM 1579 O TYR A 103 -6.515 -9.244 6.581 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.712 -8.334 4.671 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.521 -7.754 3.945 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.674 -6.606 3.158 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.265 -8.363 4.061 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.570 -6.067 2.485 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.162 -7.824 3.388 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.314 -6.676 2.601 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.226 -6.145 1.938 1.00 0.00 O ATOM 0 H TYR A 103 -3.458 -6.085 6.329 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.599 -6.638 5.663 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.516 -9.371 4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.585 -8.335 4.018 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.643 -6.136 3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.148 -9.248 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.687 -5.182 1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.194 -8.294 3.476 1.00 0.00 H new ATOM 0 HH TYR A 103 0.233 -6.854 1.441 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.576 -8.105 8.209 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.296 -8.903 9.244 1.00 0.00 C ATOM 1599 C GLN A 104 -7.507 -8.118 9.740 1.00 0.00 C ATOM 1600 O GLN A 104 -8.433 -8.664 10.306 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.355 -9.182 10.418 1.00 0.00 C ATOM 1602 CG GLN A 104 -4.875 -10.633 10.357 1.00 0.00 C ATOM 1603 CD GLN A 104 -4.688 -11.168 11.777 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -4.355 -10.343 12.733 1.00 0.00 O flip ATOM 1605 NE2 GLN A 104 -4.845 -12.347 12.021 1.00 0.00 N flip ATOM 0 H GLN A 104 -4.958 -7.379 8.572 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.627 -9.847 8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.502 -8.504 10.382 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.869 -8.998 11.361 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.599 -11.245 9.819 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.936 -10.694 9.807 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.105 -12.992 11.275 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.717 -12.692 12.972 1.00 0.00 H new ATOM 1614 N THR A 105 -7.503 -6.838 9.525 1.00 0.00 N ATOM 1615 CA THR A 105 -8.647 -5.992 9.971 1.00 0.00 C ATOM 1616 C THR A 105 -8.817 -4.834 8.988 1.00 0.00 C ATOM 1617 O THR A 105 -8.027 -3.914 8.955 1.00 0.00 O ATOM 1618 CB THR A 105 -8.361 -5.443 11.372 1.00 0.00 C ATOM 1619 OG1 THR A 105 -9.508 -4.757 11.852 1.00 0.00 O ATOM 1620 CG2 THR A 105 -7.175 -4.478 11.314 1.00 0.00 C ATOM 0 H THR A 105 -6.752 -6.333 9.056 1.00 0.00 H new ATOM 0 HA THR A 105 -9.560 -6.587 10.001 1.00 0.00 H new ATOM 0 HB THR A 105 -8.122 -6.268 12.043 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.328 -4.406 12.749 1.00 0.00 H new ATOM 0 HG21 THR A 105 -6.974 -4.089 12.312 1.00 0.00 H new ATOM 0 HG22 THR A 105 -6.295 -5.005 10.946 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.411 -3.652 10.643 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.835 -4.878 8.174 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.039 -3.786 7.182 1.00 0.00 C ATOM 1630 C PHE A 106 -10.967 -2.713 7.754 1.00 0.00 C ATOM 1631 O PHE A 106 -12.072 -2.991 8.175 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.659 -4.370 5.913 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.626 -5.194 5.186 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -8.632 -4.562 4.431 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -9.661 -6.591 5.266 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -7.674 -5.327 3.757 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -8.703 -7.355 4.591 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.709 -6.722 3.836 1.00 0.00 C ATOM 0 H PHE A 106 -10.533 -5.621 8.153 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.076 -3.331 6.951 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.521 -4.988 6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -11.020 -3.568 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.604 -3.484 4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -10.428 -7.079 5.849 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -6.906 -4.839 3.175 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -8.730 -8.433 4.652 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.969 -7.311 3.315 1.00 0.00 H new ATOM 1648 N THR A 107 -10.527 -1.484 7.758 1.00 0.00 N ATOM 1649 CA THR A 107 -11.381 -0.384 8.286 1.00 0.00 C ATOM 1650 C THR A 107 -11.769 0.542 7.131 1.00 0.00 C ATOM 1651 O THR A 107 -10.928 1.032 6.410 1.00 0.00 O ATOM 1652 CB THR A 107 -10.604 0.410 9.339 1.00 0.00 C ATOM 1653 OG1 THR A 107 -9.832 -0.485 10.129 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.585 1.169 10.235 1.00 0.00 C ATOM 0 H THR A 107 -9.610 -1.194 7.417 1.00 0.00 H new ATOM 0 HA THR A 107 -12.278 -0.802 8.743 1.00 0.00 H new ATOM 0 HB THR A 107 -9.943 1.122 8.844 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.332 0.021 10.803 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.031 1.734 10.984 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.177 1.854 9.628 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.247 0.460 10.732 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.034 0.781 6.944 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.465 1.667 5.826 1.00 0.00 C ATOM 1664 C LYS A 108 -13.265 3.130 6.223 1.00 0.00 C ATOM 1665 O LYS A 108 -13.919 3.637 7.113 1.00 0.00 O ATOM 1666 CB LYS A 108 -14.945 1.420 5.522 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.273 1.940 4.122 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.637 2.635 4.141 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.744 1.592 3.986 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.969 2.246 3.445 1.00 0.00 N ATOM 0 H LYS A 108 -13.789 0.403 7.515 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.868 1.448 4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.168 0.355 5.587 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.568 1.922 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.503 2.637 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.283 1.115 3.409 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.766 3.181 5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.696 3.366 3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.418 0.796 3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.960 1.130 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.723 1.537 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -19.283 2.990 4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.757 2.667 2.518 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.366 3.814 5.568 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.128 5.246 5.908 1.00 0.00 C ATOM 1686 C ILE A 109 -12.500 6.126 4.712 1.00 0.00 C ATOM 1687 O ILE A 109 -12.462 7.338 4.787 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.652 5.452 6.250 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.788 4.594 5.324 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.399 5.045 7.702 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.310 4.904 5.572 1.00 0.00 C ATOM 0 H ILE A 109 -11.787 3.444 4.814 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.742 5.520 6.766 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.395 6.503 6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.984 3.537 5.503 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.043 4.794 4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.346 5.193 7.943 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.012 5.657 8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.658 3.995 7.836 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.694 4.293 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.121 5.958 5.371 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.061 4.682 6.610 1.00 0.00 H new ATOM 1703 N ARG A 110 -12.860 5.528 3.609 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.233 6.334 2.413 1.00 0.00 C ATOM 1705 C ARG A 110 -14.276 5.574 1.592 1.00 0.00 C ATOM 1706 O ARG A 110 -14.538 5.988 0.475 1.00 0.00 O ATOM 1707 CB ARG A 110 -11.991 6.582 1.555 1.00 0.00 C ATOM 1708 CG ARG A 110 -11.122 7.657 2.213 1.00 0.00 C ATOM 1709 CD ARG A 110 -11.861 8.996 2.191 1.00 0.00 C ATOM 1710 NE ARG A 110 -10.926 10.093 2.578 1.00 0.00 N ATOM 1711 CZ ARG A 110 -10.016 9.886 3.493 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -10.356 9.832 4.751 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -8.768 9.734 3.147 1.00 0.00 N ATOM 1714 OXT ARG A 110 -14.795 4.591 2.094 1.00 0.00 O ATOM 0 H ARG A 110 -12.912 4.517 3.485 1.00 0.00 H new ATOM 0 HA ARG A 110 -13.648 7.289 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.423 5.658 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.285 6.899 0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -10.891 7.374 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -10.172 7.745 1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -12.265 9.183 1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -12.707 8.967 2.878 1.00 0.00 H new ATOM 0 HE ARG A 110 -10.997 11.005 2.128 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -11.332 9.951 5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.646 9.670 5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -8.503 9.777 2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.057 9.572 3.860 1.00 0.00 H new