USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=24 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 Set 1.1: A 97 TYR OH : rot 180:sc= -1.55! USER MOD Set 1.2: A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -1.35 X(o=-1.4,f=-1.2) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.82! X(o=-1.8!,f=-1.3) USER MOD Single : A 16 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -3 K(o=-3,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.79) USER MOD Single : A 24 TYR OH : rot -127:sc= 0.635 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0039 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.517 X(o=-0.52,f=-0.14) USER MOD Single : A 41 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.1!) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.944 (180deg=-1.26) USER MOD Single : A 50 SER OG : rot -139:sc= 0.00272 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 30:sc= 0.368 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot 24:sc= -1.86! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.33 X(o=-2.3,f=-2.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 93:sc= 1.12 USER MOD Single : A 92 SER OG : 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 40:sc= -0.326 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-3.1) USER MOD Single : A 103 TYR OH : rot -120:sc= -1.28 USER MOD Single : A 104 GLN : amide:sc= -0.35 K(o=-0.35,f=-2.9!) USER MOD Single : A 105 THR OG1 : rot 65:sc= 1.02 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 3.718 11.498 1.651 1.00 0.00 N ATOM 47 CA ILE A 4 2.486 11.041 2.353 1.00 0.00 C ATOM 48 C ILE A 4 2.500 9.514 2.461 1.00 0.00 C ATOM 49 O ILE A 4 2.491 8.813 1.469 1.00 0.00 O ATOM 50 CB ILE A 4 1.257 11.485 1.557 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.457 12.924 1.075 1.00 0.00 C ATOM 52 CG2 ILE A 4 0.015 11.417 2.448 1.00 0.00 C ATOM 53 CD1 ILE A 4 0.363 13.282 0.067 1.00 0.00 C ATOM 0 HA ILE A 4 2.450 11.476 3.352 1.00 0.00 H new ATOM 0 HB ILE A 4 1.124 10.826 0.699 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.425 13.610 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.439 13.031 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.859 11.734 1.879 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.129 10.393 2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.147 12.075 3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.506 14.307 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.417 12.604 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.614 13.191 0.542 1.00 0.00 H new ATOM 65 N ASN A 5 2.523 8.992 3.657 1.00 0.00 N ATOM 66 CA ASN A 5 2.540 7.510 3.821 1.00 0.00 C ATOM 67 C ASN A 5 1.725 7.118 5.056 1.00 0.00 C ATOM 68 O ASN A 5 2.244 6.557 6.001 1.00 0.00 O ATOM 69 CB ASN A 5 3.983 7.032 3.989 1.00 0.00 C ATOM 70 CG ASN A 5 4.675 7.865 5.069 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.985 9.021 4.856 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.933 7.324 6.228 1.00 0.00 N ATOM 0 H ASN A 5 2.531 9.526 4.526 1.00 0.00 H new ATOM 0 HA ASN A 5 2.102 7.044 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.998 5.977 4.263 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.520 7.124 3.045 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.395 7.871 6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.673 6.354 6.407 1.00 0.00 H new ATOM 79 N THR A 6 0.452 7.406 5.056 1.00 0.00 N ATOM 80 CA THR A 6 -0.393 7.045 6.229 1.00 0.00 C ATOM 81 C THR A 6 -1.750 6.536 5.738 1.00 0.00 C ATOM 82 O THR A 6 -1.974 6.380 4.554 1.00 0.00 O ATOM 83 CB THR A 6 -0.600 8.278 7.111 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.577 9.446 6.303 1.00 0.00 O ATOM 85 CG2 THR A 6 0.516 8.355 8.154 1.00 0.00 C ATOM 0 H THR A 6 -0.039 7.875 4.295 1.00 0.00 H new ATOM 0 HA THR A 6 0.103 6.266 6.808 1.00 0.00 H new ATOM 0 HB THR A 6 -1.563 8.205 7.617 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.711 10.236 6.867 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.367 9.234 8.782 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.497 7.459 8.774 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.480 8.427 7.651 1.00 0.00 H new ATOM 93 N PHE A 7 -2.659 6.276 6.637 1.00 0.00 N ATOM 94 CA PHE A 7 -3.999 5.780 6.218 1.00 0.00 C ATOM 95 C PHE A 7 -4.826 6.950 5.687 1.00 0.00 C ATOM 96 O PHE A 7 -5.234 6.966 4.544 1.00 0.00 O ATOM 97 CB PHE A 7 -4.711 5.152 7.417 1.00 0.00 C ATOM 98 CG PHE A 7 -4.095 3.810 7.722 1.00 0.00 C ATOM 99 CD1 PHE A 7 -3.930 2.866 6.702 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.689 3.512 9.025 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.358 1.621 6.988 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.117 2.267 9.313 1.00 0.00 C ATOM 103 CZ PHE A 7 -2.951 1.321 8.294 1.00 0.00 C ATOM 0 H PHE A 7 -2.531 6.386 7.643 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.883 5.030 5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.631 5.807 8.285 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.773 5.036 7.203 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.244 3.098 5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.816 4.242 9.810 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.231 0.892 6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.804 2.036 10.321 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.509 0.361 8.515 1.00 0.00 H new ATOM 113 N ASP A 8 -5.075 7.932 6.509 1.00 0.00 N ATOM 114 CA ASP A 8 -5.871 9.105 6.050 1.00 0.00 C ATOM 115 C ASP A 8 -5.038 9.930 5.065 1.00 0.00 C ATOM 116 O ASP A 8 -5.558 10.522 4.139 1.00 0.00 O ATOM 117 CB ASP A 8 -6.245 9.973 7.254 1.00 0.00 C ATOM 118 CG ASP A 8 -7.742 9.841 7.535 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.182 8.731 7.787 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.425 10.851 7.495 1.00 0.00 O ATOM 0 H ASP A 8 -4.762 7.973 7.479 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.780 8.758 5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.672 9.666 8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.992 11.015 7.057 1.00 0.00 H new ATOM 125 N GLY A 9 -3.748 9.976 5.261 1.00 0.00 N ATOM 126 CA GLY A 9 -2.880 10.764 4.341 1.00 0.00 C ATOM 127 C GLY A 9 -2.893 10.127 2.953 1.00 0.00 C ATOM 128 O GLY A 9 -3.091 10.793 1.956 1.00 0.00 O ATOM 0 H GLY A 9 -3.258 9.501 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.234 11.793 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.861 10.799 4.727 1.00 0.00 H new ATOM 132 N VAL A 10 -2.686 8.842 2.878 1.00 0.00 N ATOM 133 CA VAL A 10 -2.688 8.168 1.550 1.00 0.00 C ATOM 134 C VAL A 10 -4.104 8.189 0.978 1.00 0.00 C ATOM 135 O VAL A 10 -4.300 8.344 -0.210 1.00 0.00 O ATOM 136 CB VAL A 10 -2.214 6.722 1.708 1.00 0.00 C ATOM 137 CG1 VAL A 10 -2.519 5.939 0.429 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.706 6.710 1.960 1.00 0.00 C ATOM 0 H VAL A 10 -2.516 8.231 3.677 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.014 8.692 0.872 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.732 6.260 2.548 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.181 4.909 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.593 5.950 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.001 6.400 -0.412 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.364 5.681 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.193 7.172 1.117 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.485 7.268 2.870 1.00 0.00 H new ATOM 148 N ALA A 11 -5.095 8.048 1.814 1.00 0.00 N ATOM 149 CA ALA A 11 -6.494 8.079 1.311 1.00 0.00 C ATOM 150 C ALA A 11 -6.742 9.442 0.668 1.00 0.00 C ATOM 151 O ALA A 11 -7.389 9.554 -0.355 1.00 0.00 O ATOM 152 CB ALA A 11 -7.464 7.876 2.477 1.00 0.00 C ATOM 0 H ALA A 11 -4.996 7.913 2.820 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.649 7.285 0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.489 7.899 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.270 6.912 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.325 8.672 3.209 1.00 0.00 H new ATOM 158 N ASP A 12 -6.214 10.479 1.259 1.00 0.00 N ATOM 159 CA ASP A 12 -6.396 11.841 0.688 1.00 0.00 C ATOM 160 C ASP A 12 -5.660 11.926 -0.647 1.00 0.00 C ATOM 161 O ASP A 12 -6.231 12.265 -1.664 1.00 0.00 O ATOM 162 CB ASP A 12 -5.812 12.875 1.650 1.00 0.00 C ATOM 163 CG ASP A 12 -6.947 13.619 2.357 1.00 0.00 C ATOM 164 OD1 ASP A 12 -8.050 13.609 1.836 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.693 14.187 3.406 1.00 0.00 O ATOM 0 H ASP A 12 -5.662 10.440 2.116 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.458 12.038 0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.174 12.383 2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.186 13.581 1.104 1.00 0.00 H new ATOM 170 N TYR A 13 -4.392 11.617 -0.651 1.00 0.00 N ATOM 171 CA TYR A 13 -3.614 11.675 -1.920 1.00 0.00 C ATOM 172 C TYR A 13 -4.301 10.803 -2.972 1.00 0.00 C ATOM 173 O TYR A 13 -4.184 11.033 -4.160 1.00 0.00 O ATOM 174 CB TYR A 13 -2.196 11.155 -1.672 1.00 0.00 C ATOM 175 CG TYR A 13 -1.329 11.457 -2.870 1.00 0.00 C ATOM 176 CD1 TYR A 13 -0.680 12.694 -2.969 1.00 0.00 C ATOM 177 CD2 TYR A 13 -1.174 10.503 -3.884 1.00 0.00 C ATOM 178 CE1 TYR A 13 0.124 12.976 -4.080 1.00 0.00 C ATOM 179 CE2 TYR A 13 -0.371 10.786 -4.996 1.00 0.00 C ATOM 180 CZ TYR A 13 0.278 12.023 -5.093 1.00 0.00 C ATOM 181 OH TYR A 13 1.070 12.301 -6.189 1.00 0.00 O ATOM 0 H TYR A 13 -3.861 11.327 0.170 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.565 12.705 -2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.777 11.622 -0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.219 10.081 -1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.800 13.431 -2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.674 9.549 -3.808 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.626 13.930 -4.155 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.252 10.051 -5.778 1.00 0.00 H new ATOM 0 HH TYR A 13 1.069 11.532 -6.796 1.00 0.00 H new ATOM 191 N LEU A 14 -5.022 9.805 -2.540 1.00 0.00 N ATOM 192 CA LEU A 14 -5.722 8.914 -3.505 1.00 0.00 C ATOM 193 C LEU A 14 -6.913 9.659 -4.112 1.00 0.00 C ATOM 194 O LEU A 14 -6.985 9.862 -5.305 1.00 0.00 O ATOM 195 CB LEU A 14 -6.215 7.663 -2.772 1.00 0.00 C ATOM 196 CG LEU A 14 -5.142 6.572 -2.836 1.00 0.00 C ATOM 197 CD1 LEU A 14 -5.154 5.766 -1.536 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.430 5.636 -4.011 1.00 0.00 C ATOM 0 H LEU A 14 -5.156 9.568 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.036 8.622 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.441 7.904 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.139 7.305 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.165 7.037 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.390 4.990 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.948 6.428 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.133 5.305 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.665 4.861 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.408 5.174 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.422 6.206 -4.940 1.00 0.00 H new ATOM 210 N GLN A 15 -7.847 10.074 -3.302 1.00 0.00 N ATOM 211 CA GLN A 15 -9.027 10.810 -3.843 1.00 0.00 C ATOM 212 C GLN A 15 -8.592 12.200 -4.315 1.00 0.00 C ATOM 213 O GLN A 15 -9.369 12.945 -4.880 1.00 0.00 O ATOM 214 CB GLN A 15 -10.085 10.948 -2.747 1.00 0.00 C ATOM 215 CG GLN A 15 -10.312 9.586 -2.090 1.00 0.00 C ATOM 216 CD GLN A 15 -11.813 9.328 -1.951 1.00 0.00 C ATOM 217 OE1 GLN A 15 -12.581 10.244 -1.728 1.00 0.00 O ATOM 218 NE2 GLN A 15 -12.268 8.111 -2.074 1.00 0.00 N ATOM 0 H GLN A 15 -7.846 9.937 -2.291 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.446 10.259 -4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.761 11.675 -2.002 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -11.018 11.320 -3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.852 8.800 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.836 9.560 -1.110 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.624 7.342 -2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.267 7.929 -1.983 1.00 0.00 H new ATOM 227 N THR A 16 -7.357 12.557 -4.089 1.00 0.00 N ATOM 228 CA THR A 16 -6.875 13.898 -4.525 1.00 0.00 C ATOM 229 C THR A 16 -6.248 13.789 -5.909 1.00 0.00 C ATOM 230 O THR A 16 -6.764 14.294 -6.886 1.00 0.00 O ATOM 231 CB THR A 16 -5.834 14.416 -3.529 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.472 14.726 -2.298 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.166 15.672 -4.090 1.00 0.00 C ATOM 0 H THR A 16 -6.661 11.977 -3.621 1.00 0.00 H new ATOM 0 HA THR A 16 -7.716 14.591 -4.563 1.00 0.00 H new ATOM 0 HB THR A 16 -5.077 13.649 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.736 13.896 -1.848 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.426 16.039 -3.379 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.676 15.433 -5.034 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.920 16.441 -4.258 1.00 0.00 H new ATOM 241 N TYR A 17 -5.137 13.130 -5.992 1.00 0.00 N ATOM 242 CA TYR A 17 -4.452 12.970 -7.305 1.00 0.00 C ATOM 243 C TYR A 17 -4.962 11.704 -7.998 1.00 0.00 C ATOM 244 O TYR A 17 -4.491 11.330 -9.053 1.00 0.00 O ATOM 245 CB TYR A 17 -2.942 12.852 -7.083 1.00 0.00 C ATOM 246 CG TYR A 17 -2.455 14.025 -6.267 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.044 15.201 -6.907 1.00 0.00 C ATOM 248 CD2 TYR A 17 -2.413 13.937 -4.870 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.590 16.288 -6.150 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.959 15.025 -4.114 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.547 16.200 -4.754 1.00 0.00 C ATOM 252 OH TYR A 17 -1.100 17.271 -4.008 1.00 0.00 O ATOM 0 H TYR A 17 -4.665 12.689 -5.203 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.663 13.838 -7.930 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.712 11.919 -6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.425 12.824 -8.042 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.077 15.269 -7.984 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.731 13.031 -4.376 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.273 17.195 -6.644 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.927 14.958 -3.037 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.135 17.044 -3.055 1.00 0.00 H new ATOM 262 N HIS A 18 -5.921 11.040 -7.412 1.00 0.00 N ATOM 263 CA HIS A 18 -6.459 9.798 -8.034 1.00 0.00 C ATOM 264 C HIS A 18 -5.299 8.942 -8.541 1.00 0.00 C ATOM 265 O HIS A 18 -5.274 8.517 -9.679 1.00 0.00 O ATOM 266 CB HIS A 18 -7.384 10.169 -9.193 1.00 0.00 C ATOM 267 CG HIS A 18 -8.696 10.649 -8.638 1.00 0.00 C ATOM 268 ND1 HIS A 18 -9.835 10.763 -9.419 1.00 0.00 N ATOM 269 CD2 HIS A 18 -9.067 11.044 -7.375 1.00 0.00 C ATOM 270 CE1 HIS A 18 -10.826 11.210 -8.626 1.00 0.00 C ATOM 271 NE2 HIS A 18 -10.412 11.398 -7.371 1.00 0.00 N ATOM 0 H HIS A 18 -6.355 11.305 -6.528 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.025 9.231 -7.295 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.927 10.947 -9.805 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.542 9.306 -9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.413 11.075 -6.516 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.835 11.394 -8.964 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -10.963 11.730 -6.580 1.00 0.00 H new ATOM 279 N LYS A 19 -4.338 8.687 -7.696 1.00 0.00 N ATOM 280 CA LYS A 19 -3.172 7.860 -8.110 1.00 0.00 C ATOM 281 C LYS A 19 -2.180 7.779 -6.952 1.00 0.00 C ATOM 282 O LYS A 19 -1.812 8.779 -6.369 1.00 0.00 O ATOM 283 CB LYS A 19 -2.488 8.505 -9.316 1.00 0.00 C ATOM 284 CG LYS A 19 -1.858 9.834 -8.891 1.00 0.00 C ATOM 285 CD LYS A 19 -1.710 10.743 -10.112 1.00 0.00 C ATOM 286 CE LYS A 19 -0.783 10.081 -11.133 1.00 0.00 C ATOM 287 NZ LYS A 19 -1.516 9.886 -12.416 1.00 0.00 N ATOM 0 H LYS A 19 -4.311 9.018 -6.732 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.511 6.859 -8.378 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.723 7.838 -9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.212 8.672 -10.113 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.479 10.318 -8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.883 9.657 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.686 10.930 -10.559 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.306 11.710 -9.812 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.098 10.701 -11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.432 9.122 -10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.886 9.436 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.344 9.278 -12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.830 10.808 -12.780 1.00 0.00 H new ATOM 301 N LEU A 20 -1.740 6.601 -6.611 1.00 0.00 N ATOM 302 CA LEU A 20 -0.770 6.471 -5.490 1.00 0.00 C ATOM 303 C LEU A 20 0.351 7.497 -5.675 1.00 0.00 C ATOM 304 O LEU A 20 0.572 7.979 -6.768 1.00 0.00 O ATOM 305 CB LEU A 20 -0.172 5.061 -5.486 1.00 0.00 C ATOM 306 CG LEU A 20 -1.196 4.063 -4.943 1.00 0.00 C ATOM 307 CD1 LEU A 20 -0.516 2.713 -4.712 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.764 4.578 -3.619 1.00 0.00 C ATOM 0 H LEU A 20 -2.009 5.725 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.281 6.648 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.123 4.779 -6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.729 5.040 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.006 3.947 -5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.244 2.000 -4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.112 2.343 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.293 2.832 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.493 3.865 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.956 4.695 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.248 5.541 -3.781 1.00 0.00 H new ATOM 320 N PRO A 21 1.030 7.796 -4.598 1.00 0.00 N ATOM 321 CA PRO A 21 2.142 8.761 -4.615 1.00 0.00 C ATOM 322 C PRO A 21 3.179 8.362 -5.663 1.00 0.00 C ATOM 323 O PRO A 21 3.268 7.218 -6.061 1.00 0.00 O ATOM 324 CB PRO A 21 2.747 8.683 -3.208 1.00 0.00 C ATOM 325 CG PRO A 21 1.829 7.772 -2.353 1.00 0.00 C ATOM 326 CD PRO A 21 0.747 7.199 -3.282 1.00 0.00 C ATOM 0 HA PRO A 21 1.811 9.768 -4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.758 8.278 -3.248 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.819 9.677 -2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.406 6.968 -1.896 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.375 8.340 -1.541 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.795 6.111 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.252 7.461 -2.935 1.00 0.00 H new ATOM 334 N ASP A 22 3.974 9.297 -6.102 1.00 0.00 N ATOM 335 CA ASP A 22 5.015 8.968 -7.111 1.00 0.00 C ATOM 336 C ASP A 22 6.096 8.112 -6.451 1.00 0.00 C ATOM 337 O ASP A 22 6.996 7.619 -7.101 1.00 0.00 O ATOM 338 CB ASP A 22 5.637 10.259 -7.646 1.00 0.00 C ATOM 339 CG ASP A 22 6.017 10.073 -9.116 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.116 9.946 -9.929 1.00 0.00 O ATOM 341 OD2 ASP A 22 7.203 10.061 -9.404 1.00 0.00 O ATOM 0 H ASP A 22 3.947 10.273 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 22 4.565 8.419 -7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.932 11.084 -7.543 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.520 10.519 -7.062 1.00 0.00 H new ATOM 346 N ASN A 23 6.012 7.928 -5.159 1.00 0.00 N ATOM 347 CA ASN A 23 7.033 7.102 -4.458 1.00 0.00 C ATOM 348 C ASN A 23 6.408 5.771 -4.033 1.00 0.00 C ATOM 349 O ASN A 23 6.811 5.169 -3.058 1.00 0.00 O ATOM 350 CB ASN A 23 7.531 7.849 -3.219 1.00 0.00 C ATOM 351 CG ASN A 23 6.371 8.621 -2.587 1.00 0.00 C ATOM 352 OD1 ASN A 23 6.154 9.776 -2.897 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.612 8.028 -1.707 1.00 0.00 N ATOM 0 H ASN A 23 5.281 8.314 -4.562 1.00 0.00 H new ATOM 0 HA ASN A 23 7.870 6.913 -5.130 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.947 7.144 -2.499 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.332 8.536 -3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.836 8.534 -1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.794 7.059 -1.447 1.00 0.00 H new ATOM 360 N TYR A 24 5.426 5.306 -4.756 1.00 0.00 N ATOM 361 CA TYR A 24 4.780 4.013 -4.390 1.00 0.00 C ATOM 362 C TYR A 24 5.067 2.975 -5.473 1.00 0.00 C ATOM 363 O TYR A 24 4.234 2.690 -6.310 1.00 0.00 O ATOM 364 CB TYR A 24 3.268 4.212 -4.261 1.00 0.00 C ATOM 365 CG TYR A 24 2.902 4.405 -2.807 1.00 0.00 C ATOM 366 CD1 TYR A 24 3.864 4.858 -1.894 1.00 0.00 C ATOM 367 CD2 TYR A 24 1.600 4.132 -2.371 1.00 0.00 C ATOM 368 CE1 TYR A 24 3.525 5.035 -0.548 1.00 0.00 C ATOM 369 CE2 TYR A 24 1.260 4.310 -1.024 1.00 0.00 C ATOM 370 CZ TYR A 24 2.223 4.762 -0.113 1.00 0.00 C ATOM 371 OH TYR A 24 1.887 4.939 1.214 1.00 0.00 O ATOM 0 H TYR A 24 5.043 5.764 -5.583 1.00 0.00 H new ATOM 0 HA TYR A 24 5.181 3.666 -3.438 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.955 5.079 -4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.742 3.348 -4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.868 5.071 -2.230 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.857 3.784 -3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.268 5.382 0.155 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.256 4.099 -0.688 1.00 0.00 H new ATOM 0 HH TYR A 24 1.482 4.117 1.561 1.00 0.00 H new ATOM 381 N ILE A 25 6.238 2.401 -5.461 1.00 0.00 N ATOM 382 CA ILE A 25 6.574 1.377 -6.488 1.00 0.00 C ATOM 383 C ILE A 25 6.268 -0.011 -5.925 1.00 0.00 C ATOM 384 O ILE A 25 6.702 -0.359 -4.846 1.00 0.00 O ATOM 385 CB ILE A 25 8.059 1.472 -6.839 1.00 0.00 C ATOM 386 CG1 ILE A 25 8.887 1.473 -5.552 1.00 0.00 C ATOM 387 CG2 ILE A 25 8.320 2.766 -7.612 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.130 0.603 -5.746 1.00 0.00 C ATOM 0 H ILE A 25 6.976 2.597 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 25 5.982 1.548 -7.387 1.00 0.00 H new ATOM 0 HB ILE A 25 8.342 0.618 -7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.179 2.491 -5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.290 1.094 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.379 2.833 -7.862 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.730 2.768 -8.528 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.037 3.620 -6.997 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.721 0.603 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.827 -0.417 -5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.729 1.002 -6.564 1.00 0.00 H new ATOM 400 N THR A 26 5.518 -0.801 -6.642 1.00 0.00 N ATOM 401 CA THR A 26 5.176 -2.164 -6.143 1.00 0.00 C ATOM 402 C THR A 26 6.433 -2.859 -5.617 1.00 0.00 C ATOM 403 O THR A 26 7.527 -2.336 -5.699 1.00 0.00 O ATOM 404 CB THR A 26 4.581 -2.989 -7.283 1.00 0.00 C ATOM 405 OG1 THR A 26 5.581 -3.230 -8.263 1.00 0.00 O ATOM 406 CG2 THR A 26 3.416 -2.227 -7.916 1.00 0.00 C ATOM 0 H THR A 26 5.126 -0.562 -7.553 1.00 0.00 H new ATOM 0 HA THR A 26 4.450 -2.076 -5.335 1.00 0.00 H new ATOM 0 HB THR A 26 4.218 -3.940 -6.892 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.201 -3.761 -8.994 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.994 -2.818 -8.729 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.649 -2.044 -7.163 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.774 -1.275 -8.308 1.00 0.00 H new ATOM 414 N LYS A 27 6.289 -4.042 -5.082 1.00 0.00 N ATOM 415 CA LYS A 27 7.489 -4.761 -4.558 1.00 0.00 C ATOM 416 C LYS A 27 8.361 -5.200 -5.730 1.00 0.00 C ATOM 417 O LYS A 27 9.553 -4.978 -5.740 1.00 0.00 O ATOM 418 CB LYS A 27 7.097 -5.999 -3.734 1.00 0.00 C ATOM 419 CG LYS A 27 5.606 -5.980 -3.385 1.00 0.00 C ATOM 420 CD LYS A 27 4.811 -6.646 -4.510 1.00 0.00 C ATOM 421 CE LYS A 27 4.149 -7.920 -3.984 1.00 0.00 C ATOM 422 NZ LYS A 27 2.669 -7.744 -3.978 1.00 0.00 N ATOM 0 H LYS A 27 5.403 -4.538 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 27 8.033 -4.078 -3.906 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.330 -6.903 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.688 -6.032 -2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.435 -6.504 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.267 -4.954 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.053 -5.960 -4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.471 -6.885 -5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.422 -8.770 -4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.504 -8.138 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.218 -8.610 -3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.417 -6.943 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.338 -7.555 -4.946 1.00 0.00 H new ATOM 436 N SER A 28 7.779 -5.813 -6.725 1.00 0.00 N ATOM 437 CA SER A 28 8.589 -6.250 -7.894 1.00 0.00 C ATOM 438 C SER A 28 9.400 -5.056 -8.387 1.00 0.00 C ATOM 439 O SER A 28 10.537 -5.183 -8.805 1.00 0.00 O ATOM 440 CB SER A 28 7.664 -6.737 -9.010 1.00 0.00 C ATOM 441 OG SER A 28 8.448 -7.291 -10.060 1.00 0.00 O ATOM 0 H SER A 28 6.783 -6.028 -6.778 1.00 0.00 H new ATOM 0 HA SER A 28 9.253 -7.065 -7.607 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.971 -7.485 -8.624 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.062 -5.910 -9.387 1.00 0.00 H new ATOM 0 HG SER A 28 7.859 -7.606 -10.777 1.00 0.00 H new ATOM 447 N GLU A 29 8.824 -3.888 -8.326 1.00 0.00 N ATOM 448 CA GLU A 29 9.555 -2.677 -8.776 1.00 0.00 C ATOM 449 C GLU A 29 10.810 -2.516 -7.921 1.00 0.00 C ATOM 450 O GLU A 29 11.878 -2.235 -8.422 1.00 0.00 O ATOM 451 CB GLU A 29 8.663 -1.446 -8.616 1.00 0.00 C ATOM 452 CG GLU A 29 7.764 -1.304 -9.846 1.00 0.00 C ATOM 453 CD GLU A 29 8.508 -0.531 -10.937 1.00 0.00 C ATOM 454 OE1 GLU A 29 8.758 0.646 -10.735 1.00 0.00 O ATOM 455 OE2 GLU A 29 8.814 -1.129 -11.955 1.00 0.00 O ATOM 0 H GLU A 29 7.878 -3.722 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 29 9.831 -2.780 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.055 -1.539 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.276 -0.553 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.477 -2.289 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.845 -0.783 -9.579 1.00 0.00 H new ATOM 462 N ALA A 30 10.696 -2.708 -6.634 1.00 0.00 N ATOM 463 CA ALA A 30 11.897 -2.576 -5.766 1.00 0.00 C ATOM 464 C ALA A 30 12.887 -3.677 -6.137 1.00 0.00 C ATOM 465 O ALA A 30 14.087 -3.491 -6.093 1.00 0.00 O ATOM 466 CB ALA A 30 11.495 -2.714 -4.295 1.00 0.00 C ATOM 0 H ALA A 30 9.830 -2.948 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 30 12.355 -1.598 -5.912 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.379 -2.616 -3.665 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.779 -1.933 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.040 -3.691 -4.132 1.00 0.00 H new ATOM 472 N GLN A 31 12.391 -4.821 -6.524 1.00 0.00 N ATOM 473 CA GLN A 31 13.298 -5.929 -6.920 1.00 0.00 C ATOM 474 C GLN A 31 14.035 -5.513 -8.191 1.00 0.00 C ATOM 475 O GLN A 31 15.165 -5.894 -8.423 1.00 0.00 O ATOM 476 CB GLN A 31 12.480 -7.194 -7.190 1.00 0.00 C ATOM 477 CG GLN A 31 12.075 -7.834 -5.860 1.00 0.00 C ATOM 478 CD GLN A 31 12.168 -9.356 -5.976 1.00 0.00 C ATOM 479 OE1 GLN A 31 11.266 -10.064 -5.572 1.00 0.00 O ATOM 480 NE2 GLN A 31 13.228 -9.895 -6.515 1.00 0.00 N ATOM 0 H GLN A 31 11.395 -5.034 -6.582 1.00 0.00 H new ATOM 0 HA GLN A 31 14.011 -6.135 -6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.592 -6.948 -7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 31 13.065 -7.898 -7.782 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.726 -7.479 -5.061 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.059 -7.540 -5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.985 -9.302 -6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 31 13.299 -10.909 -6.597 1.00 0.00 H new ATOM 489 N ALA A 32 13.397 -4.729 -9.018 1.00 0.00 N ATOM 490 CA ALA A 32 14.049 -4.277 -10.271 1.00 0.00 C ATOM 491 C ALA A 32 15.292 -3.462 -9.933 1.00 0.00 C ATOM 492 O ALA A 32 16.310 -3.547 -10.592 1.00 0.00 O ATOM 493 CB ALA A 32 13.074 -3.414 -11.076 1.00 0.00 C ATOM 0 H ALA A 32 12.448 -4.383 -8.875 1.00 0.00 H new ATOM 0 HA ALA A 32 14.335 -5.146 -10.863 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.555 -3.083 -11.996 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.187 -3.999 -11.320 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.784 -2.545 -10.485 1.00 0.00 H new ATOM 499 N LEU A 33 15.209 -2.674 -8.908 1.00 0.00 N ATOM 500 CA LEU A 33 16.373 -1.838 -8.501 1.00 0.00 C ATOM 501 C LEU A 33 17.360 -2.680 -7.690 1.00 0.00 C ATOM 502 O LEU A 33 18.444 -2.240 -7.360 1.00 0.00 O ATOM 503 CB LEU A 33 15.873 -0.670 -7.661 1.00 0.00 C ATOM 504 CG LEU A 33 15.071 0.264 -8.561 1.00 0.00 C ATOM 505 CD1 LEU A 33 13.577 0.067 -8.302 1.00 0.00 C ATOM 506 CD2 LEU A 33 15.467 1.708 -8.268 1.00 0.00 C ATOM 0 H LEU A 33 14.378 -2.568 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 33 16.882 -1.460 -9.387 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.252 -1.031 -6.841 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.713 -0.137 -7.215 1.00 0.00 H new ATOM 0 HG LEU A 33 15.282 0.039 -9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.005 0.735 -8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.304 -0.966 -8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.356 0.291 -7.258 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.896 2.379 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.257 1.938 -7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 33 16.532 1.840 -8.461 1.00 0.00 H new ATOM 518 N GLY A 34 16.991 -3.886 -7.366 1.00 0.00 N ATOM 519 CA GLY A 34 17.902 -4.761 -6.576 1.00 0.00 C ATOM 520 C GLY A 34 17.413 -4.828 -5.128 1.00 0.00 C ATOM 521 O GLY A 34 18.046 -4.317 -4.225 1.00 0.00 O ATOM 0 H GLY A 34 16.095 -4.306 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.929 -5.761 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 34 18.919 -4.371 -6.610 1.00 0.00 H new ATOM 525 N TRP A 35 16.289 -5.451 -4.898 1.00 0.00 N ATOM 526 CA TRP A 35 15.763 -5.544 -3.507 1.00 0.00 C ATOM 527 C TRP A 35 15.484 -7.007 -3.159 1.00 0.00 C ATOM 528 O TRP A 35 14.861 -7.730 -3.911 1.00 0.00 O ATOM 529 CB TRP A 35 14.469 -4.719 -3.393 1.00 0.00 C ATOM 530 CG TRP A 35 13.561 -5.301 -2.346 1.00 0.00 C ATOM 531 CD1 TRP A 35 13.848 -5.405 -1.027 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.233 -5.868 -2.519 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.773 -5.996 -0.382 1.00 0.00 N ATOM 534 CE2 TRP A 35 11.752 -6.297 -1.261 1.00 0.00 C ATOM 535 CE3 TRP A 35 11.408 -6.044 -3.637 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.492 -6.882 -1.122 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.139 -6.631 -3.504 1.00 0.00 C ATOM 538 CH2 TRP A 35 9.683 -7.049 -2.246 1.00 0.00 C ATOM 0 H TRP A 35 15.714 -5.898 -5.612 1.00 0.00 H new ATOM 0 HA TRP A 35 16.502 -5.149 -2.810 1.00 0.00 H new ATOM 0 HB2 TRP A 35 14.711 -3.687 -3.140 1.00 0.00 H new ATOM 0 HB3 TRP A 35 13.958 -4.700 -4.355 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.764 -5.081 -0.555 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.740 -6.185 0.620 1.00 0.00 H new ATOM 0 HE3 TRP A 35 11.751 -5.725 -4.610 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.146 -7.203 -0.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 9.512 -6.761 -4.374 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.707 -7.500 -2.147 1.00 0.00 H new ATOM 549 N VAL A 36 15.915 -7.436 -2.007 1.00 0.00 N ATOM 550 CA VAL A 36 15.645 -8.835 -1.589 1.00 0.00 C ATOM 551 C VAL A 36 14.313 -8.845 -0.844 1.00 0.00 C ATOM 552 O VAL A 36 14.070 -8.017 0.012 1.00 0.00 O ATOM 553 CB VAL A 36 16.760 -9.323 -0.663 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.546 -10.803 -0.338 1.00 0.00 C ATOM 555 CG2 VAL A 36 18.113 -9.145 -1.356 1.00 0.00 C ATOM 0 H VAL A 36 16.443 -6.876 -1.337 1.00 0.00 H new ATOM 0 HA VAL A 36 15.604 -9.494 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 36 16.744 -8.743 0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.341 -11.149 0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.583 -10.931 0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.561 -11.384 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 36 18.908 -9.493 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.128 -9.724 -2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.268 -8.091 -1.587 1.00 0.00 H new ATOM 565 N ALA A 37 13.436 -9.754 -1.163 1.00 0.00 N ATOM 566 CA ALA A 37 12.121 -9.773 -0.467 1.00 0.00 C ATOM 567 C ALA A 37 12.315 -10.064 1.023 1.00 0.00 C ATOM 568 O ALA A 37 11.385 -9.987 1.801 1.00 0.00 O ATOM 569 CB ALA A 37 11.215 -10.833 -1.086 1.00 0.00 C ATOM 0 H ALA A 37 13.571 -10.478 -1.869 1.00 0.00 H new ATOM 0 HA ALA A 37 11.654 -8.795 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.255 -10.838 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.058 -10.607 -2.141 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.684 -11.813 -0.991 1.00 0.00 H new ATOM 615 N ASN A 41 16.022 -4.999 4.006 1.00 0.00 N ATOM 616 CA ASN A 41 16.965 -4.044 3.357 1.00 0.00 C ATOM 617 C ASN A 41 16.270 -3.340 2.188 1.00 0.00 C ATOM 618 O ASN A 41 16.907 -2.910 1.246 1.00 0.00 O ATOM 619 CB ASN A 41 18.190 -4.802 2.841 1.00 0.00 C ATOM 620 CG ASN A 41 17.764 -5.792 1.755 1.00 0.00 C ATOM 621 OD1 ASN A 41 17.349 -6.894 2.052 1.00 0.00 O ATOM 622 ND2 ASN A 41 17.851 -5.444 0.500 1.00 0.00 N ATOM 0 HA ASN A 41 17.279 -3.300 4.089 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.922 -4.100 2.440 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.673 -5.333 3.661 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.570 -6.098 -0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.200 -4.518 0.250 1.00 0.00 H new ATOM 629 N LEU A 42 14.972 -3.209 2.241 1.00 0.00 N ATOM 630 CA LEU A 42 14.247 -2.522 1.132 1.00 0.00 C ATOM 631 C LEU A 42 14.799 -1.112 0.976 1.00 0.00 C ATOM 632 O LEU A 42 15.388 -0.765 -0.025 1.00 0.00 O ATOM 633 CB LEU A 42 12.759 -2.427 1.471 1.00 0.00 C ATOM 634 CG LEU A 42 11.981 -1.838 0.284 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.527 -2.389 -1.037 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.503 -2.212 0.408 1.00 0.00 C ATOM 0 H LEU A 42 14.383 -3.547 3.002 1.00 0.00 H new ATOM 0 HA LEU A 42 14.380 -3.087 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.370 -3.416 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.619 -1.802 2.353 1.00 0.00 H new ATOM 0 HG LEU A 42 12.095 -0.754 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 42 11.966 -1.963 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.579 -2.123 -1.135 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.425 -3.474 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.950 -1.795 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.401 -3.297 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.103 -1.811 1.339 1.00 0.00 H new ATOM 648 N ALA A 43 14.602 -0.300 1.972 1.00 0.00 N ATOM 649 CA ALA A 43 15.100 1.105 1.915 1.00 0.00 C ATOM 650 C ALA A 43 16.622 1.121 1.713 1.00 0.00 C ATOM 651 O ALA A 43 17.206 2.152 1.444 1.00 0.00 O ATOM 652 CB ALA A 43 14.756 1.817 3.225 1.00 0.00 C ATOM 0 H ALA A 43 14.113 -0.548 2.832 1.00 0.00 H new ATOM 0 HA ALA A 43 14.625 1.617 1.078 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.119 2.844 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 43 13.675 1.819 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 43 15.229 1.296 4.057 1.00 0.00 H new ATOM 658 N ASP A 44 17.272 -0.006 1.844 1.00 0.00 N ATOM 659 CA ASP A 44 18.751 -0.036 1.662 1.00 0.00 C ATOM 660 C ASP A 44 19.088 -0.037 0.168 1.00 0.00 C ATOM 661 O ASP A 44 20.027 0.602 -0.265 1.00 0.00 O ATOM 662 CB ASP A 44 19.316 -1.302 2.310 1.00 0.00 C ATOM 663 CG ASP A 44 20.804 -1.107 2.602 1.00 0.00 C ATOM 664 OD1 ASP A 44 21.215 0.033 2.748 1.00 0.00 O ATOM 665 OD2 ASP A 44 21.509 -2.100 2.676 1.00 0.00 O ATOM 0 H ASP A 44 16.843 -0.904 2.068 1.00 0.00 H new ATOM 0 HA ASP A 44 19.190 0.845 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.779 -1.521 3.233 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.174 -2.156 1.648 1.00 0.00 H new ATOM 670 N VAL A 45 18.332 -0.746 -0.625 1.00 0.00 N ATOM 671 CA VAL A 45 18.615 -0.782 -2.088 1.00 0.00 C ATOM 672 C VAL A 45 17.724 0.235 -2.805 1.00 0.00 C ATOM 673 O VAL A 45 17.956 0.586 -3.945 1.00 0.00 O ATOM 674 CB VAL A 45 18.326 -2.184 -2.628 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.219 -3.200 -1.915 1.00 0.00 C ATOM 676 CG2 VAL A 45 16.857 -2.534 -2.377 1.00 0.00 C ATOM 0 H VAL A 45 17.531 -1.301 -0.324 1.00 0.00 H new ATOM 0 HA VAL A 45 19.662 -0.534 -2.262 1.00 0.00 H new ATOM 0 HB VAL A 45 18.529 -2.209 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.013 -4.199 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.266 -2.952 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.016 -3.175 -0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 45 16.650 -3.533 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 45 16.655 -2.508 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.219 -1.811 -2.884 1.00 0.00 H new ATOM 686 N ALA A 46 16.706 0.710 -2.143 1.00 0.00 N ATOM 687 CA ALA A 46 15.796 1.705 -2.775 1.00 0.00 C ATOM 688 C ALA A 46 15.205 2.607 -1.687 1.00 0.00 C ATOM 689 O ALA A 46 14.011 2.601 -1.464 1.00 0.00 O ATOM 690 CB ALA A 46 14.667 0.973 -3.504 1.00 0.00 C ATOM 0 H ALA A 46 16.464 0.450 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 46 16.353 2.311 -3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.001 1.701 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.090 0.327 -4.274 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.106 0.369 -2.791 1.00 0.00 H new ATOM 696 N PRO A 47 16.063 3.352 -1.036 1.00 0.00 N ATOM 697 CA PRO A 47 15.649 4.265 0.044 1.00 0.00 C ATOM 698 C PRO A 47 14.649 5.297 -0.484 1.00 0.00 C ATOM 699 O PRO A 47 14.497 5.477 -1.676 1.00 0.00 O ATOM 700 CB PRO A 47 16.946 4.948 0.501 1.00 0.00 C ATOM 701 CG PRO A 47 18.108 4.369 -0.347 1.00 0.00 C ATOM 702 CD PRO A 47 17.509 3.346 -1.325 1.00 0.00 C ATOM 0 HA PRO A 47 15.154 3.742 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 47 16.877 6.028 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.120 4.768 1.562 1.00 0.00 H new ATOM 0 HG2 PRO A 47 18.618 5.164 -0.891 1.00 0.00 H new ATOM 0 HG3 PRO A 47 18.850 3.895 0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.707 3.625 -2.360 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.939 2.356 -1.174 1.00 0.00 H new ATOM 710 N GLY A 48 13.965 5.975 0.397 1.00 0.00 N ATOM 711 CA GLY A 48 12.973 6.993 -0.050 1.00 0.00 C ATOM 712 C GLY A 48 12.016 6.364 -1.064 1.00 0.00 C ATOM 713 O GLY A 48 11.851 6.856 -2.163 1.00 0.00 O ATOM 0 H GLY A 48 14.051 5.868 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.415 7.372 0.806 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.486 7.844 -0.498 1.00 0.00 H new ATOM 717 N LYS A 49 11.384 5.280 -0.706 1.00 0.00 N ATOM 718 CA LYS A 49 10.439 4.622 -1.652 1.00 0.00 C ATOM 719 C LYS A 49 9.365 3.870 -0.864 1.00 0.00 C ATOM 720 O LYS A 49 9.516 3.603 0.312 1.00 0.00 O ATOM 721 CB LYS A 49 11.207 3.636 -2.535 1.00 0.00 C ATOM 722 CG LYS A 49 11.164 4.112 -3.989 1.00 0.00 C ATOM 723 CD LYS A 49 12.590 4.321 -4.501 1.00 0.00 C ATOM 724 CE LYS A 49 12.584 4.345 -6.031 1.00 0.00 C ATOM 725 NZ LYS A 49 13.886 3.829 -6.541 1.00 0.00 N ATOM 0 H LYS A 49 11.481 4.822 0.200 1.00 0.00 H new ATOM 0 HA LYS A 49 9.966 5.379 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.240 3.558 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.769 2.641 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.648 3.378 -4.608 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.600 5.042 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.994 5.256 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.238 3.521 -4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.765 3.735 -6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.418 5.361 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.803 3.621 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.625 4.546 -6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.139 2.960 -6.029 1.00 0.00 H new ATOM 739 N SER A 50 8.280 3.527 -1.503 1.00 0.00 N ATOM 740 CA SER A 50 7.196 2.792 -0.792 1.00 0.00 C ATOM 741 C SER A 50 6.638 1.698 -1.705 1.00 0.00 C ATOM 742 O SER A 50 6.795 1.741 -2.910 1.00 0.00 O ATOM 743 CB SER A 50 6.077 3.766 -0.421 1.00 0.00 C ATOM 744 OG SER A 50 6.141 4.047 0.971 1.00 0.00 O ATOM 0 H SER A 50 8.097 3.724 -2.487 1.00 0.00 H new ATOM 0 HA SER A 50 7.598 2.339 0.114 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.176 4.688 -0.995 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.107 3.337 -0.673 1.00 0.00 H new ATOM 0 HG SER A 50 5.234 4.068 1.342 1.00 0.00 H new ATOM 750 N ILE A 51 5.990 0.715 -1.140 1.00 0.00 N ATOM 751 CA ILE A 51 5.425 -0.383 -1.975 1.00 0.00 C ATOM 752 C ILE A 51 3.906 -0.214 -2.083 1.00 0.00 C ATOM 753 O ILE A 51 3.187 -0.369 -1.118 1.00 0.00 O ATOM 754 CB ILE A 51 5.740 -1.732 -1.324 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.179 -1.723 -0.787 1.00 0.00 C ATOM 756 CG2 ILE A 51 5.579 -2.848 -2.358 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.173 -1.940 -1.934 1.00 0.00 C ATOM 0 H ILE A 51 5.828 0.625 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 51 5.867 -0.346 -2.971 1.00 0.00 H new ATOM 0 HB ILE A 51 5.051 -1.906 -0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.385 -0.774 -0.293 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.300 -2.505 -0.038 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.803 -3.809 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.554 -2.855 -2.729 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.265 -2.677 -3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.190 -1.932 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.976 -2.901 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.061 -1.142 -2.668 1.00 0.00 H new ATOM 769 N GLY A 52 3.409 0.101 -3.249 1.00 0.00 N ATOM 770 CA GLY A 52 1.936 0.276 -3.402 1.00 0.00 C ATOM 771 C GLY A 52 1.544 0.084 -4.867 1.00 0.00 C ATOM 772 O GLY A 52 2.378 0.097 -5.751 1.00 0.00 O ATOM 0 H GLY A 52 3.956 0.244 -4.098 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.408 -0.444 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.641 1.269 -3.064 1.00 0.00 H new ATOM 776 N GLY A 53 0.278 -0.095 -5.133 1.00 0.00 N ATOM 777 CA GLY A 53 -0.167 -0.288 -6.542 1.00 0.00 C ATOM 778 C GLY A 53 -0.211 -1.782 -6.864 1.00 0.00 C ATOM 779 O GLY A 53 -0.146 -2.183 -8.009 1.00 0.00 O ATOM 0 H GLY A 53 -0.466 -0.116 -4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.152 0.155 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.515 0.221 -7.223 1.00 0.00 H new ATOM 783 N ASP A 54 -0.323 -2.610 -5.862 1.00 0.00 N ATOM 784 CA ASP A 54 -0.372 -4.078 -6.112 1.00 0.00 C ATOM 785 C ASP A 54 -1.829 -4.544 -6.123 1.00 0.00 C ATOM 786 O ASP A 54 -2.660 -4.033 -5.398 1.00 0.00 O ATOM 787 CB ASP A 54 0.389 -4.809 -5.003 1.00 0.00 C ATOM 788 CG ASP A 54 1.883 -4.505 -5.122 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.478 -4.931 -6.099 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.408 -3.852 -4.235 1.00 0.00 O ATOM 0 H ASP A 54 -0.383 -2.334 -4.882 1.00 0.00 H new ATOM 0 HA ASP A 54 0.088 -4.299 -7.075 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.020 -4.495 -4.027 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.219 -5.883 -5.078 1.00 0.00 H new ATOM 795 N ILE A 55 -2.147 -5.510 -6.941 1.00 0.00 N ATOM 796 CA ILE A 55 -3.550 -6.006 -6.996 1.00 0.00 C ATOM 797 C ILE A 55 -3.911 -6.661 -5.662 1.00 0.00 C ATOM 798 O ILE A 55 -3.094 -7.304 -5.034 1.00 0.00 O ATOM 799 CB ILE A 55 -3.684 -7.034 -8.122 1.00 0.00 C ATOM 800 CG1 ILE A 55 -3.628 -6.319 -9.473 1.00 0.00 C ATOM 801 CG2 ILE A 55 -5.020 -7.768 -7.990 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.908 -5.505 -9.674 1.00 0.00 C ATOM 0 H ILE A 55 -1.496 -5.976 -7.573 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.224 -5.170 -7.185 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.867 -7.753 -8.055 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.758 -5.664 -9.514 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.517 -7.047 -10.277 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.114 -8.500 -8.792 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.062 -8.278 -7.027 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.838 -7.050 -8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.868 -4.996 -10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.770 -6.171 -9.652 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.999 -4.767 -8.877 1.00 0.00 H new ATOM 814 N PHE A 56 -5.130 -6.505 -5.224 1.00 0.00 N ATOM 815 CA PHE A 56 -5.541 -7.122 -3.932 1.00 0.00 C ATOM 816 C PHE A 56 -6.659 -8.134 -4.188 1.00 0.00 C ATOM 817 O PHE A 56 -7.829 -7.819 -4.098 1.00 0.00 O ATOM 818 CB PHE A 56 -6.042 -6.033 -2.981 1.00 0.00 C ATOM 819 CG PHE A 56 -6.404 -6.654 -1.654 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.399 -6.971 -0.732 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.745 -6.911 -1.344 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.735 -7.546 0.500 1.00 0.00 C ATOM 823 CE2 PHE A 56 -8.081 -7.486 -0.112 1.00 0.00 C ATOM 824 CZ PHE A 56 -7.076 -7.803 0.810 1.00 0.00 C ATOM 0 H PHE A 56 -5.859 -5.977 -5.705 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.688 -7.628 -3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.272 -5.274 -2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.910 -5.532 -3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.365 -6.772 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.520 -6.666 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.960 -7.791 1.211 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.115 -7.685 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.335 -8.246 1.760 1.00 0.00 H new ATOM 905 N LYS A 62 -12.009 -9.517 3.143 1.00 0.00 N ATOM 906 CA LYS A 62 -12.581 -8.626 4.192 1.00 0.00 C ATOM 907 C LYS A 62 -12.890 -7.253 3.587 1.00 0.00 C ATOM 908 O LYS A 62 -13.096 -6.286 4.292 1.00 0.00 O ATOM 909 CB LYS A 62 -11.573 -8.468 5.331 1.00 0.00 C ATOM 910 CG LYS A 62 -11.716 -9.637 6.308 1.00 0.00 C ATOM 911 CD LYS A 62 -11.851 -9.099 7.734 1.00 0.00 C ATOM 912 CE LYS A 62 -12.206 -10.246 8.682 1.00 0.00 C ATOM 913 NZ LYS A 62 -12.710 -9.689 9.969 1.00 0.00 N ATOM 0 HA LYS A 62 -13.501 -9.065 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.559 -8.437 4.931 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.740 -7.524 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.590 -10.235 6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.848 -10.293 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.918 -8.630 8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.622 -8.330 7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.964 -10.885 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.329 -10.868 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.951 -10.468 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.974 -9.096 10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.557 -9.113 9.790 1.00 0.00 H new ATOM 927 N LEU A 63 -12.928 -7.162 2.285 1.00 0.00 N ATOM 928 CA LEU A 63 -13.229 -5.853 1.636 1.00 0.00 C ATOM 929 C LEU A 63 -14.568 -5.954 0.897 1.00 0.00 C ATOM 930 O LEU A 63 -14.913 -7.001 0.386 1.00 0.00 O ATOM 931 CB LEU A 63 -12.127 -5.511 0.630 1.00 0.00 C ATOM 932 CG LEU A 63 -10.866 -5.061 1.368 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.680 -5.091 0.404 1.00 0.00 C ATOM 934 CD2 LEU A 63 -11.055 -3.633 1.884 1.00 0.00 C ATOM 0 H LEU A 63 -12.764 -7.937 1.643 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.281 -5.075 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.905 -6.381 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.467 -4.722 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.679 -5.731 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.778 -4.771 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.541 -6.105 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.873 -4.419 -0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.155 -3.314 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.241 -2.964 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.904 -3.602 2.567 1.00 0.00 H new ATOM 946 N PRO A 64 -15.283 -4.858 0.858 1.00 0.00 N ATOM 947 CA PRO A 64 -16.591 -4.798 0.181 1.00 0.00 C ATOM 948 C PRO A 64 -16.425 -5.081 -1.316 1.00 0.00 C ATOM 949 O PRO A 64 -16.253 -4.179 -2.112 1.00 0.00 O ATOM 950 CB PRO A 64 -17.085 -3.362 0.406 1.00 0.00 C ATOM 951 CG PRO A 64 -15.998 -2.612 1.219 1.00 0.00 C ATOM 952 CD PRO A 64 -14.849 -3.597 1.486 1.00 0.00 C ATOM 0 HA PRO A 64 -17.293 -5.537 0.567 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.261 -2.864 -0.548 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.033 -3.363 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.637 -1.745 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.410 -2.242 2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.914 -3.241 1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.678 -3.725 2.555 1.00 0.00 H new ATOM 960 N GLY A 65 -16.473 -6.326 -1.704 1.00 0.00 N ATOM 961 CA GLY A 65 -16.317 -6.664 -3.149 1.00 0.00 C ATOM 962 C GLY A 65 -16.883 -8.060 -3.413 1.00 0.00 C ATOM 963 O GLY A 65 -17.418 -8.701 -2.530 1.00 0.00 O ATOM 0 H GLY A 65 -16.613 -7.124 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.836 -5.928 -3.763 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.264 -6.628 -3.430 1.00 0.00 H new ATOM 1031 N THR A 70 -11.911 -6.526 -8.489 1.00 0.00 N ATOM 1032 CA THR A 70 -10.512 -6.547 -7.978 1.00 0.00 C ATOM 1033 C THR A 70 -10.276 -5.330 -7.081 1.00 0.00 C ATOM 1034 O THR A 70 -10.814 -4.265 -7.309 1.00 0.00 O ATOM 1035 CB THR A 70 -9.538 -6.507 -9.157 1.00 0.00 C ATOM 1036 OG1 THR A 70 -9.964 -7.428 -10.151 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.136 -6.885 -8.676 1.00 0.00 C ATOM 0 HA THR A 70 -10.350 -7.458 -7.403 1.00 0.00 H new ATOM 0 HB THR A 70 -9.516 -5.502 -9.577 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.940 -7.513 -10.122 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.443 -6.856 -9.517 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.810 -6.178 -7.913 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.154 -7.890 -8.255 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.474 -5.481 -6.064 1.00 0.00 N ATOM 1046 CA TRP A 71 -9.201 -4.334 -5.153 1.00 0.00 C ATOM 1047 C TRP A 71 -7.778 -3.825 -5.388 1.00 0.00 C ATOM 1048 O TRP A 71 -7.021 -4.394 -6.148 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.334 -4.792 -3.699 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.733 -4.568 -3.224 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.811 -5.276 -3.629 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -11.224 -3.588 -2.263 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.932 -4.794 -2.978 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.622 -3.753 -2.127 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.599 -2.581 -1.504 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -13.374 -2.950 -1.269 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -11.354 -1.772 -0.639 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.738 -1.956 -0.523 1.00 0.00 C ATOM 0 H TRP A 71 -8.996 -6.349 -5.824 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.916 -3.536 -5.354 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -9.077 -5.848 -3.616 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.634 -4.243 -3.070 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.799 -6.085 -4.344 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.874 -5.163 -3.111 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.533 -2.429 -1.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.441 -3.096 -1.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.865 -1.003 -0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.312 -1.329 0.143 1.00 0.00 H new ATOM 1069 N ARG A 72 -7.408 -2.760 -4.733 1.00 0.00 N ATOM 1070 CA ARG A 72 -6.034 -2.216 -4.905 1.00 0.00 C ATOM 1071 C ARG A 72 -5.403 -2.028 -3.526 1.00 0.00 C ATOM 1072 O ARG A 72 -6.044 -1.574 -2.599 1.00 0.00 O ATOM 1073 CB ARG A 72 -6.102 -0.869 -5.625 1.00 0.00 C ATOM 1074 CG ARG A 72 -7.183 -0.920 -6.706 1.00 0.00 C ATOM 1075 CD ARG A 72 -6.684 -1.751 -7.890 1.00 0.00 C ATOM 1076 NE ARG A 72 -6.936 -1.009 -9.157 1.00 0.00 N ATOM 1077 CZ ARG A 72 -6.340 -1.378 -10.259 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -5.080 -1.093 -10.447 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -7.005 -2.030 -11.173 1.00 0.00 N ATOM 0 H ARG A 72 -8.001 -2.242 -4.084 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.433 -2.907 -5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.323 -0.075 -4.912 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.136 -0.635 -6.073 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.096 -1.356 -6.301 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.431 0.089 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.619 -1.956 -7.781 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.193 -2.714 -7.913 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.574 -0.213 -9.164 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.561 -0.582 -9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.615 -1.381 -11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.990 -2.251 -11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.540 -2.318 -12.034 1.00 0.00 H new ATOM 1093 N GLU A 73 -4.156 -2.379 -3.373 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.508 -2.224 -2.042 1.00 0.00 C ATOM 1095 C GLU A 73 -2.352 -1.226 -2.133 1.00 0.00 C ATOM 1096 O GLU A 73 -1.804 -0.983 -3.191 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.973 -3.581 -1.576 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.915 -4.081 -2.562 1.00 0.00 C ATOM 1099 CD GLU A 73 -0.676 -4.541 -1.791 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -0.002 -3.692 -1.231 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -0.421 -5.734 -1.775 1.00 0.00 O ATOM 0 H GLU A 73 -3.562 -2.764 -4.107 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.244 -1.853 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.542 -3.490 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.789 -4.301 -1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.315 -4.904 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.648 -3.287 -3.259 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.976 -0.649 -1.024 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.854 0.330 -1.028 1.00 0.00 C ATOM 1110 C ALA A 74 -0.121 0.258 0.313 1.00 0.00 C ATOM 1111 O ALA A 74 -0.700 -0.072 1.328 1.00 0.00 O ATOM 1112 CB ALA A 74 -1.407 1.742 -1.235 1.00 0.00 C ATOM 0 H ALA A 74 -2.400 -0.815 -0.112 1.00 0.00 H new ATOM 0 HA ALA A 74 -0.163 0.093 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.585 2.458 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.934 1.790 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.097 1.985 -0.427 1.00 0.00 H new ATOM 1118 N ASP A 75 1.148 0.557 0.328 1.00 0.00 N ATOM 1119 CA ASP A 75 1.910 0.496 1.608 1.00 0.00 C ATOM 1120 C ASP A 75 1.512 1.671 2.501 1.00 0.00 C ATOM 1121 O ASP A 75 1.491 2.809 2.075 1.00 0.00 O ATOM 1122 CB ASP A 75 3.410 0.570 1.318 1.00 0.00 C ATOM 1123 CG ASP A 75 3.994 -0.843 1.287 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.328 -1.727 0.773 1.00 0.00 O ATOM 1125 OD2 ASP A 75 5.096 -1.018 1.780 1.00 0.00 O ATOM 0 H ASP A 75 1.690 0.840 -0.488 1.00 0.00 H new ATOM 0 HA ASP A 75 1.681 -0.441 2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.583 1.067 0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.910 1.165 2.082 1.00 0.00 H new ATOM 1130 N ILE A 76 1.207 1.406 3.741 1.00 0.00 N ATOM 1131 CA ILE A 76 0.823 2.508 4.665 1.00 0.00 C ATOM 1132 C ILE A 76 1.869 2.609 5.777 1.00 0.00 C ATOM 1133 O ILE A 76 2.176 1.639 6.441 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.550 2.215 5.272 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.619 2.309 4.180 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -0.855 3.238 6.367 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.815 3.774 3.781 1.00 0.00 C ATOM 0 H ILE A 76 1.207 0.473 4.154 1.00 0.00 H new ATOM 0 HA ILE A 76 0.775 3.450 4.118 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.550 1.213 5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.320 1.722 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.559 1.890 4.540 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.834 3.028 6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.094 3.176 7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.855 4.240 5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.576 3.841 3.004 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.134 4.349 4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.875 4.177 3.404 1.00 0.00 H new ATOM 1149 N ASN A 77 2.428 3.770 5.979 1.00 0.00 N ATOM 1150 CA ASN A 77 3.462 3.924 7.040 1.00 0.00 C ATOM 1151 C ASN A 77 4.720 3.157 6.626 1.00 0.00 C ATOM 1152 O ASN A 77 4.697 1.953 6.462 1.00 0.00 O ATOM 1153 CB ASN A 77 2.931 3.362 8.361 1.00 0.00 C ATOM 1154 CG ASN A 77 2.643 4.512 9.327 1.00 0.00 C ATOM 1155 OD1 ASN A 77 1.500 4.821 9.599 1.00 0.00 O ATOM 1156 ND2 ASN A 77 3.639 5.164 9.862 1.00 0.00 N ATOM 0 H ASN A 77 2.213 4.619 5.455 1.00 0.00 H new ATOM 0 HA ASN A 77 3.700 4.980 7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.023 2.786 8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.661 2.680 8.798 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.457 5.932 10.508 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.599 4.905 9.634 1.00 0.00 H new ATOM 1163 N TYR A 78 5.818 3.841 6.452 1.00 0.00 N ATOM 1164 CA TYR A 78 7.068 3.151 6.048 1.00 0.00 C ATOM 1165 C TYR A 78 8.245 4.124 6.144 1.00 0.00 C ATOM 1166 O TYR A 78 8.229 5.192 5.565 1.00 0.00 O ATOM 1167 CB TYR A 78 6.933 2.649 4.607 1.00 0.00 C ATOM 1168 CG TYR A 78 7.997 1.615 4.325 1.00 0.00 C ATOM 1169 CD1 TYR A 78 9.351 1.964 4.396 1.00 0.00 C ATOM 1170 CD2 TYR A 78 7.629 0.306 3.987 1.00 0.00 C ATOM 1171 CE1 TYR A 78 10.337 1.005 4.132 1.00 0.00 C ATOM 1172 CE2 TYR A 78 8.615 -0.652 3.723 1.00 0.00 C ATOM 1173 CZ TYR A 78 9.969 -0.303 3.795 1.00 0.00 C ATOM 1174 OH TYR A 78 10.940 -1.248 3.535 1.00 0.00 O ATOM 0 H TYR A 78 5.900 4.850 6.573 1.00 0.00 H new ATOM 0 HA TYR A 78 7.245 2.304 6.711 1.00 0.00 H new ATOM 0 HB2 TYR A 78 5.944 2.218 4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.029 3.482 3.911 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.635 2.973 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.585 0.036 3.930 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.381 1.275 4.188 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.331 -1.661 3.464 1.00 0.00 H new ATOM 0 HH TYR A 78 11.775 -0.990 3.979 1.00 0.00 H new ATOM 1184 N THR A 79 9.267 3.763 6.871 1.00 0.00 N ATOM 1185 CA THR A 79 10.444 4.665 7.004 1.00 0.00 C ATOM 1186 C THR A 79 11.721 3.857 6.812 1.00 0.00 C ATOM 1187 O THR A 79 12.320 3.851 5.755 1.00 0.00 O ATOM 1188 CB THR A 79 10.448 5.299 8.398 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.594 4.556 9.256 1.00 0.00 O ATOM 1190 CG2 THR A 79 9.952 6.742 8.305 1.00 0.00 C ATOM 0 H THR A 79 9.337 2.881 7.379 1.00 0.00 H new ATOM 0 HA THR A 79 10.389 5.449 6.249 1.00 0.00 H new ATOM 0 HB THR A 79 11.462 5.292 8.799 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.597 4.959 10.149 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.955 7.192 9.298 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.608 7.311 7.646 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.938 6.753 7.905 1.00 0.00 H new ATOM 1198 N SER A 80 12.134 3.177 7.833 1.00 0.00 N ATOM 1199 CA SER A 80 13.373 2.356 7.740 1.00 0.00 C ATOM 1200 C SER A 80 13.199 1.076 8.560 1.00 0.00 C ATOM 1201 O SER A 80 12.404 1.018 9.476 1.00 0.00 O ATOM 1202 CB SER A 80 14.558 3.155 8.285 1.00 0.00 C ATOM 1203 OG SER A 80 14.718 2.872 9.669 1.00 0.00 O ATOM 0 H SER A 80 11.666 3.151 8.739 1.00 0.00 H new ATOM 0 HA SER A 80 13.560 2.097 6.698 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.467 2.896 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.391 4.222 8.137 1.00 0.00 H new ATOM 0 HG SER A 80 15.478 3.381 10.021 1.00 0.00 H new ATOM 1209 N GLY A 81 13.936 0.049 8.236 1.00 0.00 N ATOM 1210 CA GLY A 81 13.812 -1.226 8.997 1.00 0.00 C ATOM 1211 C GLY A 81 13.008 -2.233 8.173 1.00 0.00 C ATOM 1212 O GLY A 81 12.762 -2.034 7.000 1.00 0.00 O ATOM 0 H GLY A 81 14.618 0.038 7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.801 -1.628 9.219 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.320 -1.046 9.953 1.00 0.00 H new ATOM 1216 N PHE A 82 12.595 -3.314 8.776 1.00 0.00 N ATOM 1217 CA PHE A 82 11.807 -4.330 8.024 1.00 0.00 C ATOM 1218 C PHE A 82 10.464 -3.722 7.609 1.00 0.00 C ATOM 1219 O PHE A 82 9.927 -2.867 8.285 1.00 0.00 O ATOM 1220 CB PHE A 82 11.559 -5.549 8.918 1.00 0.00 C ATOM 1221 CG PHE A 82 12.482 -6.674 8.518 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.863 -6.551 8.708 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.954 -7.843 7.955 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.717 -7.596 8.334 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.808 -8.887 7.580 1.00 0.00 C ATOM 1226 CZ PHE A 82 14.189 -8.764 7.769 1.00 0.00 C ATOM 0 H PHE A 82 12.769 -3.537 9.756 1.00 0.00 H new ATOM 0 HA PHE A 82 12.360 -4.638 7.137 1.00 0.00 H new ATOM 0 HB2 PHE A 82 11.724 -5.285 9.962 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.521 -5.870 8.831 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.270 -5.650 9.143 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.888 -7.939 7.810 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.783 -7.501 8.481 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.401 -9.788 7.145 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.848 -9.569 7.479 1.00 0.00 H new ATOM 1236 N ARG A 83 9.913 -4.154 6.504 1.00 0.00 N ATOM 1237 CA ARG A 83 8.606 -3.592 6.063 1.00 0.00 C ATOM 1238 C ARG A 83 7.644 -3.566 7.253 1.00 0.00 C ATOM 1239 O ARG A 83 7.926 -4.112 8.301 1.00 0.00 O ATOM 1240 CB ARG A 83 8.015 -4.464 4.951 1.00 0.00 C ATOM 1241 CG ARG A 83 9.118 -4.885 3.973 1.00 0.00 C ATOM 1242 CD ARG A 83 8.682 -4.572 2.540 1.00 0.00 C ATOM 1243 NE ARG A 83 7.224 -4.848 2.389 1.00 0.00 N ATOM 1244 CZ ARG A 83 6.687 -5.892 2.960 1.00 0.00 C ATOM 1245 NH1 ARG A 83 7.048 -7.092 2.599 1.00 0.00 N ATOM 1246 NH2 ARG A 83 5.787 -5.734 3.893 1.00 0.00 N ATOM 0 H ARG A 83 10.310 -4.867 5.893 1.00 0.00 H new ATOM 0 HA ARG A 83 8.755 -2.581 5.685 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.543 -5.347 5.382 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.238 -3.914 4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.044 -4.359 4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.323 -5.951 4.077 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.891 -3.528 2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.252 -5.177 1.835 1.00 0.00 H new ATOM 0 HE ARG A 83 6.643 -4.217 1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.751 -7.216 1.870 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.628 -7.907 3.046 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.504 -4.795 4.175 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.367 -6.549 4.340 1.00 0.00 H new ATOM 1260 N ASN A 84 6.512 -2.936 7.103 1.00 0.00 N ATOM 1261 CA ASN A 84 5.538 -2.877 8.230 1.00 0.00 C ATOM 1262 C ASN A 84 4.298 -3.700 7.880 1.00 0.00 C ATOM 1263 O ASN A 84 4.204 -4.280 6.817 1.00 0.00 O ATOM 1264 CB ASN A 84 5.128 -1.424 8.483 1.00 0.00 C ATOM 1265 CG ASN A 84 5.189 -0.635 7.173 1.00 0.00 C ATOM 1266 OD1 ASN A 84 4.197 -0.504 6.483 1.00 0.00 O ATOM 1267 ND2 ASN A 84 6.320 -0.103 6.798 1.00 0.00 N ATOM 0 H ASN A 84 6.219 -2.460 6.250 1.00 0.00 H new ATOM 0 HA ASN A 84 6.004 -3.284 9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.119 -1.387 8.894 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.790 -0.973 9.222 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.372 0.423 5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.152 -0.213 7.377 1.00 0.00 H new ATOM 1274 N SER A 85 3.343 -3.754 8.768 1.00 0.00 N ATOM 1275 CA SER A 85 2.107 -4.539 8.487 1.00 0.00 C ATOM 1276 C SER A 85 0.941 -3.581 8.239 1.00 0.00 C ATOM 1277 O SER A 85 -0.206 -3.983 8.196 1.00 0.00 O ATOM 1278 CB SER A 85 1.784 -5.433 9.684 1.00 0.00 C ATOM 1279 OG SER A 85 2.873 -6.315 9.921 1.00 0.00 O ATOM 0 H SER A 85 3.365 -3.289 9.675 1.00 0.00 H new ATOM 0 HA SER A 85 2.265 -5.159 7.604 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.597 -4.823 10.568 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.875 -6.003 9.492 1.00 0.00 H new ATOM 0 HG SER A 85 2.669 -6.888 10.689 1.00 0.00 H new ATOM 1285 N ASP A 86 1.223 -2.318 8.076 1.00 0.00 N ATOM 1286 CA ASP A 86 0.129 -1.338 7.831 1.00 0.00 C ATOM 1287 C ASP A 86 -0.013 -1.098 6.328 1.00 0.00 C ATOM 1288 O ASP A 86 0.949 -0.821 5.639 1.00 0.00 O ATOM 1289 CB ASP A 86 0.458 -0.018 8.530 1.00 0.00 C ATOM 1290 CG ASP A 86 0.511 -0.240 10.042 1.00 0.00 C ATOM 1291 OD1 ASP A 86 0.195 -1.338 10.470 1.00 0.00 O ATOM 1292 OD2 ASP A 86 0.867 0.690 10.746 1.00 0.00 O ATOM 0 H ASP A 86 2.163 -1.923 8.102 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.807 -1.733 8.226 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.414 0.365 8.174 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.296 0.731 8.288 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.206 -1.203 5.814 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.411 -0.983 4.354 1.00 0.00 C ATOM 1299 C ARG A 87 -2.860 -0.565 4.107 1.00 0.00 C ATOM 1300 O ARG A 87 -3.738 -0.856 4.889 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.120 -2.280 3.596 1.00 0.00 C ATOM 1302 CG ARG A 87 0.392 -2.489 3.498 1.00 0.00 C ATOM 1303 CD ARG A 87 0.736 -3.100 2.137 1.00 0.00 C ATOM 1304 NE ARG A 87 1.602 -4.299 2.330 1.00 0.00 N ATOM 1305 CZ ARG A 87 2.503 -4.314 3.275 1.00 0.00 C ATOM 1306 NH1 ARG A 87 3.102 -3.207 3.623 1.00 0.00 N ATOM 1307 NH2 ARG A 87 2.807 -5.435 3.870 1.00 0.00 N ATOM 0 H ARG A 87 -2.049 -1.432 6.341 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.738 -0.200 4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.581 -3.124 4.109 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.557 -2.236 2.598 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.910 -1.538 3.623 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.732 -3.145 4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.177 -3.380 1.612 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.249 -2.365 1.516 1.00 0.00 H new ATOM 0 HE ARG A 87 1.490 -5.110 1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.866 -2.331 3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.806 -3.218 4.361 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.341 -6.300 3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.511 -5.446 4.608 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.122 0.114 3.026 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.519 0.542 2.741 1.00 0.00 C ATOM 1323 C ILE A 88 -5.040 -0.215 1.516 1.00 0.00 C ATOM 1324 O ILE A 88 -4.277 -0.750 0.736 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.544 2.047 2.476 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.986 2.511 2.269 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.726 2.358 1.224 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -6.028 4.040 2.260 1.00 0.00 C ATOM 0 H ILE A 88 -2.431 0.391 2.329 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.156 0.320 3.597 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.116 2.570 3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.375 2.119 1.329 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.623 2.123 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.744 3.431 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.696 2.033 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.153 1.832 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.055 4.375 2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.655 4.420 3.211 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.404 4.416 1.450 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.333 -0.274 1.346 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.901 -1.007 0.178 1.00 0.00 C ATOM 1342 C LEU A 89 -7.926 -0.127 -0.540 1.00 0.00 C ATOM 1343 O LEU A 89 -9.043 0.021 -0.091 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.604 -2.280 0.665 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.571 -3.347 1.033 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.569 -3.508 -0.109 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.835 -2.928 2.308 1.00 0.00 C ATOM 0 H LEU A 89 -7.021 0.154 1.966 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.092 -1.263 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.226 -2.052 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.267 -2.658 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.078 -4.297 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.834 -4.269 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.095 -3.811 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.062 -2.559 -0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.099 -3.688 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.330 -1.977 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.551 -2.820 3.123 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.575 0.443 -1.659 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.567 1.286 -2.387 1.00 0.00 C ATOM 1361 C TYR A 90 -9.177 0.464 -3.525 1.00 0.00 C ATOM 1362 O TYR A 90 -8.500 -0.306 -4.179 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.900 2.549 -2.942 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.743 2.189 -3.845 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.499 1.863 -3.293 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -6.913 2.198 -5.235 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -4.423 1.545 -4.132 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -5.838 1.879 -6.073 1.00 0.00 C ATOM 1369 CZ TYR A 90 -4.593 1.552 -5.521 1.00 0.00 C ATOM 1370 OH TYR A 90 -3.533 1.240 -6.348 1.00 0.00 O ATOM 0 H TYR A 90 -6.657 0.364 -2.097 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.351 1.597 -1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.630 3.139 -3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.546 3.171 -2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.369 1.857 -2.221 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.873 2.451 -5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.462 1.294 -3.707 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.969 1.885 -7.145 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.822 1.291 -7.283 1.00 0.00 H new ATOM 1380 N SER A 91 -10.455 0.602 -3.754 1.00 0.00 N ATOM 1381 CA SER A 91 -11.110 -0.192 -4.835 1.00 0.00 C ATOM 1382 C SER A 91 -11.431 0.704 -6.035 1.00 0.00 C ATOM 1383 O SER A 91 -11.225 1.901 -6.005 1.00 0.00 O ATOM 1384 CB SER A 91 -12.406 -0.803 -4.301 1.00 0.00 C ATOM 1385 OG SER A 91 -12.359 -2.215 -4.456 1.00 0.00 O ATOM 0 H SER A 91 -11.074 1.229 -3.240 1.00 0.00 H new ATOM 0 HA SER A 91 -10.430 -0.981 -5.154 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.537 -0.545 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.262 -0.395 -4.838 1.00 0.00 H new ATOM 0 HG SER A 91 -12.012 -2.623 -3.635 1.00 0.00 H new ATOM 1391 N SER A 92 -11.937 0.125 -7.093 1.00 0.00 N ATOM 1392 CA SER A 92 -12.274 0.931 -8.300 1.00 0.00 C ATOM 1393 C SER A 92 -13.405 1.898 -7.969 1.00 0.00 C ATOM 1394 O SER A 92 -13.553 2.935 -8.585 1.00 0.00 O ATOM 1395 CB SER A 92 -12.710 0.000 -9.432 1.00 0.00 C ATOM 1396 OG SER A 92 -14.014 -0.494 -9.158 1.00 0.00 O ATOM 0 H SER A 92 -12.131 -0.873 -7.171 1.00 0.00 H new ATOM 0 HA SER A 92 -11.396 1.496 -8.614 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.704 0.535 -10.381 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.008 -0.828 -9.528 1.00 0.00 H new ATOM 0 HG SER A 92 -14.297 -1.090 -9.883 1.00 0.00 H new ATOM 1402 N ASP A 93 -14.197 1.568 -6.995 1.00 0.00 N ATOM 1403 CA ASP A 93 -15.314 2.460 -6.606 1.00 0.00 C ATOM 1404 C ASP A 93 -14.819 3.443 -5.547 1.00 0.00 C ATOM 1405 O ASP A 93 -15.593 4.064 -4.846 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.473 1.630 -6.048 1.00 0.00 C ATOM 1407 CG ASP A 93 -16.083 1.048 -4.689 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.898 0.982 -4.412 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.979 0.678 -3.949 1.00 0.00 O ATOM 0 H ASP A 93 -14.117 0.711 -6.447 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.666 3.010 -7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.362 2.252 -5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.724 0.826 -6.740 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.527 3.587 -5.435 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.950 4.527 -4.439 1.00 0.00 C ATOM 1416 C TRP A 94 -13.213 4.023 -3.020 1.00 0.00 C ATOM 1417 O TRP A 94 -13.247 4.789 -2.077 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.561 5.916 -4.625 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.637 6.741 -5.460 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -13.019 7.559 -6.467 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -11.185 6.832 -5.386 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.892 8.151 -7.012 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.737 7.733 -6.379 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -10.222 6.225 -4.558 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.381 8.022 -6.547 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.859 6.513 -4.725 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.440 7.409 -5.717 1.00 0.00 C ATOM 0 H TRP A 94 -12.840 3.086 -5.999 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.872 4.587 -4.592 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.536 5.838 -5.106 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.720 6.391 -3.657 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.036 7.723 -6.792 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.912 8.815 -7.786 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.534 5.533 -3.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -9.063 8.714 -7.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.128 6.041 -4.085 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.389 7.626 -5.840 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.376 2.739 -2.853 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.607 2.195 -1.487 1.00 0.00 C ATOM 1440 C LEU A 95 -12.256 2.090 -0.782 1.00 0.00 C ATOM 1441 O LEU A 95 -11.401 1.323 -1.178 1.00 0.00 O ATOM 1442 CB LEU A 95 -14.244 0.808 -1.584 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.756 0.925 -1.394 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.380 -0.472 -1.381 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -16.049 1.626 -0.065 1.00 0.00 C ATOM 0 H LEU A 95 -13.359 2.046 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.276 2.850 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -14.022 0.362 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.822 0.149 -0.826 1.00 0.00 H new ATOM 0 HG LEU A 95 -16.181 1.504 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.458 -0.388 -1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.171 -0.973 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.956 -1.052 -0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -17.127 1.710 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.623 1.046 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.605 2.622 -0.073 1.00 0.00 H new ATOM 1457 N ILE A 96 -12.042 2.866 0.245 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.729 2.811 0.944 1.00 0.00 C ATOM 1459 C ILE A 96 -10.868 2.111 2.297 1.00 0.00 C ATOM 1460 O ILE A 96 -11.593 2.547 3.172 1.00 0.00 O ATOM 1461 CB ILE A 96 -10.201 4.231 1.150 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.474 5.060 -0.110 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.695 4.173 1.410 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.661 6.355 -0.065 1.00 0.00 C ATOM 0 H ILE A 96 -12.715 3.531 0.627 1.00 0.00 H new ATOM 0 HA ILE A 96 -10.029 2.244 0.331 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.701 4.692 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.211 4.486 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.537 5.290 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.312 5.183 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.503 3.578 2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.195 3.717 0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.859 6.940 -0.963 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.945 6.933 0.815 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.599 6.116 -0.014 1.00 0.00 H new ATOM 1476 N TYR A 97 -10.156 1.030 2.473 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.206 0.285 3.760 1.00 0.00 C ATOM 1478 C TYR A 97 -8.786 0.196 4.319 1.00 0.00 C ATOM 1479 O TYR A 97 -7.906 -0.375 3.707 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.747 -1.124 3.514 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.253 -1.109 3.609 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -13.019 -0.718 2.505 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -12.882 -1.484 4.802 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.415 -0.702 2.593 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.279 -1.468 4.890 1.00 0.00 C ATOM 1486 CZ TYR A 97 -15.046 -1.077 3.786 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.423 -1.061 3.873 1.00 0.00 O ATOM 0 H TYR A 97 -9.535 0.629 1.770 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.858 0.798 4.467 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.438 -1.477 2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.333 -1.817 4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.532 -0.429 1.585 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.290 -1.785 5.654 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -15.006 -0.400 1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -14.765 -1.757 5.810 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.698 -1.350 4.768 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.544 0.768 5.463 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.167 0.724 6.032 1.00 0.00 C ATOM 1499 C LYS A 98 -6.994 -0.524 6.903 1.00 0.00 C ATOM 1500 O LYS A 98 -7.916 -0.978 7.550 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.932 1.974 6.881 1.00 0.00 C ATOM 1502 CG LYS A 98 -8.088 2.143 7.868 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.535 2.240 9.291 1.00 0.00 C ATOM 1504 CE LYS A 98 -7.466 3.709 9.713 1.00 0.00 C ATOM 1505 NZ LYS A 98 -7.450 3.797 11.200 1.00 0.00 N ATOM 0 H LYS A 98 -9.235 1.262 6.028 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.445 0.689 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.989 1.889 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.855 2.853 6.241 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.658 3.040 7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.773 1.299 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.171 1.683 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.543 1.790 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.571 4.176 9.301 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.322 4.254 9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.403 4.795 11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.316 3.366 11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.620 3.291 11.569 1.00 0.00 H new ATOM 1519 N THR A 99 -5.809 -1.070 6.928 1.00 0.00 N ATOM 1520 CA THR A 99 -5.549 -2.280 7.760 1.00 0.00 C ATOM 1521 C THR A 99 -4.258 -2.066 8.552 1.00 0.00 C ATOM 1522 O THR A 99 -3.221 -1.761 7.993 1.00 0.00 O ATOM 1523 CB THR A 99 -5.393 -3.510 6.860 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.810 -4.568 7.609 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.494 -3.171 5.672 1.00 0.00 C ATOM 0 H THR A 99 -5.004 -0.727 6.404 1.00 0.00 H new ATOM 0 HA THR A 99 -6.385 -2.441 8.440 1.00 0.00 H new ATOM 0 HB THR A 99 -6.372 -3.816 6.492 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.191 -4.578 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.386 -4.049 5.035 1.00 0.00 H new ATOM 0 HG22 THR A 99 -4.940 -2.359 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.513 -2.863 6.034 1.00 0.00 H new ATOM 1533 N THR A 100 -4.309 -2.214 9.847 1.00 0.00 N ATOM 1534 CA THR A 100 -3.081 -2.010 10.666 1.00 0.00 C ATOM 1535 C THR A 100 -2.582 -3.357 11.193 1.00 0.00 C ATOM 1536 O THR A 100 -1.972 -3.435 12.241 1.00 0.00 O ATOM 1537 CB THR A 100 -3.402 -1.089 11.845 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.566 -0.331 11.548 1.00 0.00 O ATOM 1539 CG2 THR A 100 -2.225 -0.146 12.095 1.00 0.00 C ATOM 0 H THR A 100 -5.146 -2.467 10.373 1.00 0.00 H new ATOM 0 HA THR A 100 -2.307 -1.556 10.048 1.00 0.00 H new ATOM 0 HB THR A 100 -3.577 -1.689 12.738 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.774 0.258 12.303 1.00 0.00 H new ATOM 0 HG21 THR A 100 -2.456 0.509 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.333 -0.730 12.324 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.045 0.456 11.204 1.00 0.00 H new ATOM 1547 N ASP A 101 -2.833 -4.418 10.477 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.367 -5.755 10.944 1.00 0.00 C ATOM 1549 C ASP A 101 -2.086 -6.653 9.736 1.00 0.00 C ATOM 1550 O ASP A 101 -2.042 -7.862 9.849 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.435 -6.404 11.833 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.817 -5.832 11.503 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -4.974 -4.625 11.582 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.695 -6.613 11.182 1.00 0.00 O ATOM 0 H ASP A 101 -3.339 -4.418 9.591 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.452 -5.630 11.523 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.435 -7.484 11.684 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.201 -6.227 12.883 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.887 -6.069 8.583 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.595 -6.884 7.366 1.00 0.00 C ATOM 1561 C HIS A 102 -2.891 -7.478 6.808 1.00 0.00 C ATOM 1562 O HIS A 102 -3.104 -8.674 6.848 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.628 -8.015 7.724 1.00 0.00 C ATOM 1564 CG HIS A 102 0.312 -8.255 6.575 1.00 0.00 C ATOM 1565 ND1 HIS A 102 0.021 -7.849 5.282 1.00 0.00 N ATOM 1566 CD2 HIS A 102 1.543 -8.860 6.509 1.00 0.00 C ATOM 1567 CE1 HIS A 102 1.055 -8.212 4.500 1.00 0.00 C ATOM 1568 NE2 HIS A 102 2.010 -8.832 5.198 1.00 0.00 N ATOM 0 H HIS A 102 -1.914 -5.061 8.431 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.142 -6.242 6.610 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.065 -7.756 8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.184 -8.925 7.949 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.823 -7.364 4.978 1.00 0.00 H new ATOM 0 HD2 HIS A 102 2.069 -9.292 7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.106 -8.025 3.438 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.751 -6.654 6.278 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.027 -7.170 5.705 1.00 0.00 C ATOM 1578 C TYR A 103 -5.775 -8.004 6.749 1.00 0.00 C ATOM 1579 O TYR A 103 -6.665 -8.765 6.424 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.718 -8.039 4.484 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.631 -7.387 3.663 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.781 -6.066 3.224 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.473 -8.105 3.339 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.773 -5.463 2.462 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.465 -7.501 2.577 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.616 -6.180 2.139 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.623 -5.585 1.387 1.00 0.00 O ATOM 0 H TYR A 103 -3.626 -5.644 6.216 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.653 -6.328 5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.402 -9.032 4.802 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.616 -8.169 3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.674 -5.512 3.473 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.357 -9.124 3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.889 -4.444 2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.572 -8.054 2.327 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.488 -6.095 0.561 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.432 -7.866 8.001 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.138 -8.650 9.054 1.00 0.00 C ATOM 1599 C GLN A 104 -7.302 -7.821 9.599 1.00 0.00 C ATOM 1600 O GLN A 104 -8.197 -8.327 10.247 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.165 -8.981 10.187 1.00 0.00 C ATOM 1602 CG GLN A 104 -4.509 -10.336 9.914 1.00 0.00 C ATOM 1603 CD GLN A 104 -5.281 -11.433 10.651 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -5.971 -11.163 11.613 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -5.193 -12.667 10.235 1.00 0.00 N ATOM 0 H GLN A 104 -4.696 -7.246 8.339 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.518 -9.579 8.628 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.403 -8.205 10.265 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.694 -9.006 11.140 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.500 -10.539 8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.470 -10.323 10.244 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.613 -12.893 9.427 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.704 -13.406 10.718 1.00 0.00 H new ATOM 1614 N THR A 105 -7.289 -6.549 9.330 1.00 0.00 N ATOM 1615 CA THR A 105 -8.382 -5.657 9.809 1.00 0.00 C ATOM 1616 C THR A 105 -8.633 -4.591 8.743 1.00 0.00 C ATOM 1617 O THR A 105 -7.727 -4.179 8.048 1.00 0.00 O ATOM 1618 CB THR A 105 -7.960 -4.987 11.119 1.00 0.00 C ATOM 1619 OG1 THR A 105 -7.854 -5.971 12.139 1.00 0.00 O ATOM 1620 CG2 THR A 105 -9.003 -3.943 11.520 1.00 0.00 C ATOM 0 H THR A 105 -6.559 -6.081 8.792 1.00 0.00 H new ATOM 0 HA THR A 105 -9.290 -6.234 9.984 1.00 0.00 H new ATOM 0 HB THR A 105 -6.995 -4.498 10.983 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.129 -6.593 11.919 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.701 -3.467 12.453 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.083 -3.189 10.737 1.00 0.00 H new ATOM 0 HG23 THR A 105 -9.970 -4.428 11.656 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.849 -4.145 8.590 1.00 0.00 N ATOM 1629 CA PHE A 106 -10.118 -3.118 7.546 1.00 0.00 C ATOM 1630 C PHE A 106 -11.117 -2.080 8.058 1.00 0.00 C ATOM 1631 O PHE A 106 -12.171 -2.410 8.565 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.684 -3.804 6.303 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.713 -4.860 5.836 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -9.809 -6.166 6.331 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -8.713 -4.533 4.913 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -8.905 -7.145 5.902 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -7.809 -5.512 4.484 1.00 0.00 C ATOM 1638 CZ PHE A 106 -7.905 -6.818 4.978 1.00 0.00 C ATOM 0 H PHE A 106 -10.658 -4.443 9.135 1.00 0.00 H new ATOM 0 HA PHE A 106 -9.186 -2.610 7.300 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.650 -4.255 6.530 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.852 -3.072 5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.580 -6.418 7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.639 -3.525 4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -8.979 -8.153 6.284 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.037 -5.259 3.772 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.208 -7.573 4.647 1.00 0.00 H new ATOM 1648 N THR A 107 -10.791 -0.825 7.914 1.00 0.00 N ATOM 1649 CA THR A 107 -11.713 0.250 8.372 1.00 0.00 C ATOM 1650 C THR A 107 -12.091 1.120 7.172 1.00 0.00 C ATOM 1651 O THR A 107 -11.249 1.510 6.389 1.00 0.00 O ATOM 1652 CB THR A 107 -11.015 1.111 9.429 1.00 0.00 C ATOM 1653 OG1 THR A 107 -10.606 0.288 10.512 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.980 2.184 9.936 1.00 0.00 C ATOM 0 H THR A 107 -9.920 -0.497 7.496 1.00 0.00 H new ATOM 0 HA THR A 107 -12.609 -0.192 8.807 1.00 0.00 H new ATOM 0 HB THR A 107 -10.142 1.592 8.988 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.158 0.837 11.189 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.482 2.796 10.688 1.00 0.00 H new ATOM 0 HG22 THR A 107 -12.292 2.815 9.104 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.855 1.707 10.378 1.00 0.00 H new ATOM 1662 N LYS A 108 -13.348 1.422 7.016 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.771 2.259 5.859 1.00 0.00 C ATOM 1664 C LYS A 108 -13.475 3.728 6.160 1.00 0.00 C ATOM 1665 O LYS A 108 -14.037 4.313 7.064 1.00 0.00 O ATOM 1666 CB LYS A 108 -15.272 2.079 5.621 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.655 2.701 4.277 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.903 3.568 4.453 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.987 3.109 3.476 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.663 1.897 4.018 1.00 0.00 N ATOM 0 H LYS A 108 -14.101 1.127 7.638 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.223 1.952 4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.528 1.019 5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.837 2.549 6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.831 3.304 3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -15.844 1.918 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.268 3.495 5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.659 4.615 4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -18.714 3.906 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -17.546 2.888 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -19.400 1.585 3.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -17.965 1.137 4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.097 2.123 4.936 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.591 4.327 5.410 1.00 0.00 N ATOM 1685 CA ILE A 109 -12.255 5.759 5.656 1.00 0.00 C ATOM 1686 C ILE A 109 -12.803 6.617 4.513 1.00 0.00 C ATOM 1687 O ILE A 109 -13.872 7.185 4.610 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.733 5.933 5.745 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -10.031 4.777 5.024 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -10.306 5.944 7.214 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.522 5.022 5.017 1.00 0.00 C ATOM 0 H ILE A 109 -12.088 3.888 4.639 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.705 6.075 6.597 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.454 6.875 5.272 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.255 3.834 5.523 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -10.401 4.693 4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.225 6.068 7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.797 6.770 7.729 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.592 5.003 7.683 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.022 4.200 4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.308 5.957 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.159 5.084 6.043 1.00 0.00 H new ATOM 1703 N ARG A 110 -12.080 6.718 3.432 1.00 0.00 N ATOM 1704 CA ARG A 110 -12.565 7.542 2.288 1.00 0.00 C ATOM 1705 C ARG A 110 -12.988 6.623 1.140 1.00 0.00 C ATOM 1706 O ARG A 110 -13.088 5.429 1.369 1.00 0.00 O ATOM 1707 CB ARG A 110 -11.442 8.468 1.814 1.00 0.00 C ATOM 1708 CG ARG A 110 -11.570 9.825 2.507 1.00 0.00 C ATOM 1709 CD ARG A 110 -11.691 9.615 4.020 1.00 0.00 C ATOM 1710 NE ARG A 110 -11.019 10.733 4.747 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.907 11.243 4.289 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -8.912 10.460 3.973 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -9.791 12.535 4.150 1.00 0.00 N ATOM 1714 OXT ARG A 110 -13.205 7.129 0.052 1.00 0.00 O ATOM 0 H ARG A 110 -11.176 6.267 3.291 1.00 0.00 H new ATOM 0 HA ARG A 110 -13.419 8.140 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -10.472 8.024 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -11.493 8.594 0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -10.701 10.443 2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.445 10.356 2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -12.742 9.565 4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -11.238 8.664 4.301 1.00 0.00 H new ATOM 0 HE ARG A 110 -11.430 11.100 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.003 9.450 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.044 10.858 3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.568 13.147 4.399 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.923 12.934 3.792 1.00 0.00 H new