USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=25 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.825 K(o=-0.82,f=-2.8!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 105:sc= 0.0324 USER MOD Single : A 15 GLN : amide:sc=-0.00479 K(o=-0.0048,f=-1.6!) USER MOD Single : A 16 THR OG1 : rot 79:sc= 1.21 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS :FLIP no HD1:sc= -2.21 F(o=-3,f=-2.2) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.32 K(o=-3.3,f=-5.7!) USER MOD Single : A 24 TYR OH : rot -141:sc= 0.23 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 31 GLN : amide:sc= -5.38! C(o=-5.4!,f=-7.7!) USER MOD Single : A 41 ASN : amide:sc= -1.12 K(o=-1.1,f=-1.7) USER MOD Single : A 49 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.103) USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 11:sc= 0.741 USER MOD Single : A 77 ASN : amide:sc= -0.944 K(o=-0.94,f=-1.7!) USER MOD Single : A 78 TYR OH : rot 7:sc= 0.732 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= -0.562 K(o=-0.56,f=-4.1!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 51:sc= -1.77! USER MOD Single : A 91 SER OG : rot 14:sc= 0.31 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= -1.94! USER MOD Single : A 98 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.132) USER MOD Single : A 99 THR OG1 : rot 59:sc= -0.419 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.00506 USER MOD Single : A 102 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.081) USER MOD Single : A 103 TYR OH : rot -78:sc= -1.61! USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -170:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 3.665 11.466 1.927 1.00 0.00 N ATOM 47 CA ILE A 4 2.363 10.820 2.256 1.00 0.00 C ATOM 48 C ILE A 4 2.571 9.313 2.419 1.00 0.00 C ATOM 49 O ILE A 4 2.760 8.596 1.457 1.00 0.00 O ATOM 50 CB ILE A 4 1.365 11.077 1.126 1.00 0.00 C ATOM 51 CG1 ILE A 4 1.375 12.565 0.766 1.00 0.00 C ATOM 52 CG2 ILE A 4 -0.038 10.674 1.582 1.00 0.00 C ATOM 53 CD1 ILE A 4 0.863 12.747 -0.664 1.00 0.00 C ATOM 0 HA ILE A 4 1.974 11.237 3.185 1.00 0.00 H new ATOM 0 HB ILE A 4 1.646 10.489 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.748 13.123 1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.385 12.965 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.749 10.857 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.047 9.615 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.320 11.262 2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.870 13.806 -0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.508 12.202 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.154 12.362 -0.738 1.00 0.00 H new ATOM 65 N ASN A 5 2.538 8.827 3.629 1.00 0.00 N ATOM 66 CA ASN A 5 2.734 7.366 3.849 1.00 0.00 C ATOM 67 C ASN A 5 1.848 6.899 5.005 1.00 0.00 C ATOM 68 O ASN A 5 2.299 6.237 5.918 1.00 0.00 O ATOM 69 CB ASN A 5 4.201 7.094 4.188 1.00 0.00 C ATOM 70 CG ASN A 5 4.520 7.661 5.572 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.275 8.821 5.838 1.00 0.00 O ATOM 72 ND2 ASN A 5 5.061 6.887 6.473 1.00 0.00 N ATOM 0 H ASN A 5 2.384 9.377 4.474 1.00 0.00 H new ATOM 0 HA ASN A 5 2.463 6.823 2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.397 6.022 4.169 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.849 7.550 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.277 7.256 7.399 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.267 5.913 6.251 1.00 0.00 H new ATOM 79 N THR A 6 0.588 7.238 4.973 1.00 0.00 N ATOM 80 CA THR A 6 -0.326 6.812 6.070 1.00 0.00 C ATOM 81 C THR A 6 -1.665 6.372 5.473 1.00 0.00 C ATOM 82 O THR A 6 -1.823 6.295 4.271 1.00 0.00 O ATOM 83 CB THR A 6 -0.553 7.981 7.030 1.00 0.00 C ATOM 84 OG1 THR A 6 -0.573 9.198 6.296 1.00 0.00 O ATOM 85 CG2 THR A 6 0.575 8.022 8.062 1.00 0.00 C ATOM 0 H THR A 6 0.152 7.791 4.235 1.00 0.00 H new ATOM 0 HA THR A 6 0.121 5.980 6.614 1.00 0.00 H new ATOM 0 HB THR A 6 -1.506 7.851 7.543 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.720 9.948 6.910 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.413 8.855 8.746 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.588 7.088 8.624 1.00 0.00 H new ATOM 0 HG23 THR A 6 1.530 8.152 7.552 1.00 0.00 H new ATOM 93 N PHE A 7 -2.629 6.083 6.303 1.00 0.00 N ATOM 94 CA PHE A 7 -3.954 5.648 5.779 1.00 0.00 C ATOM 95 C PHE A 7 -4.722 6.863 5.255 1.00 0.00 C ATOM 96 O PHE A 7 -5.122 6.909 4.110 1.00 0.00 O ATOM 97 CB PHE A 7 -4.754 4.985 6.903 1.00 0.00 C ATOM 98 CG PHE A 7 -4.115 3.667 7.265 1.00 0.00 C ATOM 99 CD1 PHE A 7 -3.918 2.690 6.283 1.00 0.00 C ATOM 100 CD2 PHE A 7 -3.721 3.425 8.584 1.00 0.00 C ATOM 101 CE1 PHE A 7 -3.326 1.468 6.622 1.00 0.00 C ATOM 102 CE2 PHE A 7 -3.128 2.203 8.924 1.00 0.00 C ATOM 103 CZ PHE A 7 -2.931 1.224 7.943 1.00 0.00 C ATOM 0 H PHE A 7 -2.557 6.129 7.319 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.806 4.935 4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.786 5.638 7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.785 4.827 6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.223 2.879 5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.874 4.180 9.341 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.174 0.713 5.865 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.823 2.016 9.943 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.475 0.281 8.205 1.00 0.00 H new ATOM 113 N ASP A 8 -4.935 7.847 6.085 1.00 0.00 N ATOM 114 CA ASP A 8 -5.679 9.058 5.634 1.00 0.00 C ATOM 115 C ASP A 8 -4.816 9.867 4.661 1.00 0.00 C ATOM 116 O ASP A 8 -5.317 10.510 3.759 1.00 0.00 O ATOM 117 CB ASP A 8 -6.022 9.924 6.848 1.00 0.00 C ATOM 118 CG ASP A 8 -7.522 9.831 7.134 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.112 8.824 6.780 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.055 10.770 7.704 1.00 0.00 O ATOM 0 H ASP A 8 -4.626 7.865 7.057 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.595 8.750 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.454 9.592 7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.740 10.960 6.660 1.00 0.00 H new ATOM 125 N GLY A 9 -3.523 9.845 4.839 1.00 0.00 N ATOM 126 CA GLY A 9 -2.632 10.619 3.930 1.00 0.00 C ATOM 127 C GLY A 9 -2.669 10.008 2.530 1.00 0.00 C ATOM 128 O GLY A 9 -2.912 10.686 1.551 1.00 0.00 O ATOM 0 H GLY A 9 -3.046 9.324 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.952 11.660 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -1.612 10.613 4.313 1.00 0.00 H new ATOM 132 N VAL A 10 -2.430 8.731 2.426 1.00 0.00 N ATOM 133 CA VAL A 10 -2.453 8.082 1.086 1.00 0.00 C ATOM 134 C VAL A 10 -3.871 8.143 0.523 1.00 0.00 C ATOM 135 O VAL A 10 -4.073 8.400 -0.646 1.00 0.00 O ATOM 136 CB VAL A 10 -2.012 6.624 1.210 1.00 0.00 C ATOM 137 CG1 VAL A 10 -1.851 6.020 -0.186 1.00 0.00 C ATOM 138 CG2 VAL A 10 -0.675 6.557 1.951 1.00 0.00 C ATOM 0 H VAL A 10 -2.220 8.110 3.208 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.770 8.605 0.417 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.764 6.063 1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.536 4.980 -0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.803 6.068 -0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.099 6.581 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.360 5.517 2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.077 7.118 1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.788 6.988 2.946 1.00 0.00 H new ATOM 148 N ALA A 11 -4.856 7.921 1.347 1.00 0.00 N ATOM 149 CA ALA A 11 -6.258 7.984 0.854 1.00 0.00 C ATOM 150 C ALA A 11 -6.507 9.381 0.291 1.00 0.00 C ATOM 151 O ALA A 11 -7.187 9.554 -0.702 1.00 0.00 O ATOM 152 CB ALA A 11 -7.222 7.715 2.011 1.00 0.00 C ATOM 0 H ALA A 11 -4.751 7.699 2.337 1.00 0.00 H new ATOM 0 HA ALA A 11 -6.419 7.234 0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.249 7.762 1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.028 6.725 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.077 8.466 2.787 1.00 0.00 H new ATOM 158 N ASP A 12 -5.945 10.380 0.916 1.00 0.00 N ATOM 159 CA ASP A 12 -6.129 11.771 0.421 1.00 0.00 C ATOM 160 C ASP A 12 -5.465 11.908 -0.948 1.00 0.00 C ATOM 161 O ASP A 12 -6.091 12.287 -1.919 1.00 0.00 O ATOM 162 CB ASP A 12 -5.475 12.748 1.399 1.00 0.00 C ATOM 163 CG ASP A 12 -6.557 13.460 2.212 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.561 12.830 2.506 1.00 0.00 O ATOM 165 OD2 ASP A 12 -6.365 14.622 2.529 1.00 0.00 O ATOM 0 H ASP A 12 -5.365 10.291 1.750 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.193 11.994 0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.798 12.213 2.065 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.876 13.478 0.854 1.00 0.00 H new ATOM 170 N TYR A 13 -4.200 11.597 -1.037 1.00 0.00 N ATOM 171 CA TYR A 13 -3.502 11.707 -2.349 1.00 0.00 C ATOM 172 C TYR A 13 -4.176 10.776 -3.356 1.00 0.00 C ATOM 173 O TYR A 13 -4.034 10.930 -4.554 1.00 0.00 O ATOM 174 CB TYR A 13 -2.035 11.304 -2.185 1.00 0.00 C ATOM 175 CG TYR A 13 -1.264 11.698 -3.423 1.00 0.00 C ATOM 176 CD1 TYR A 13 -1.197 10.824 -4.515 1.00 0.00 C ATOM 177 CD2 TYR A 13 -0.616 12.938 -3.479 1.00 0.00 C ATOM 178 CE1 TYR A 13 -0.483 11.190 -5.662 1.00 0.00 C ATOM 179 CE2 TYR A 13 0.099 13.304 -4.626 1.00 0.00 C ATOM 180 CZ TYR A 13 0.165 12.430 -5.718 1.00 0.00 C ATOM 181 OH TYR A 13 0.869 12.791 -6.848 1.00 0.00 O ATOM 0 H TYR A 13 -3.622 11.273 -0.261 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.556 12.735 -2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.609 11.791 -1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.958 10.229 -2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.696 9.867 -4.472 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.668 13.612 -2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.432 10.516 -6.504 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.599 14.260 -4.668 1.00 0.00 H new ATOM 0 HH TYR A 13 0.353 13.449 -7.359 1.00 0.00 H new ATOM 191 N LEU A 14 -4.914 9.812 -2.877 1.00 0.00 N ATOM 192 CA LEU A 14 -5.602 8.868 -3.798 1.00 0.00 C ATOM 193 C LEU A 14 -6.804 9.567 -4.433 1.00 0.00 C ATOM 194 O LEU A 14 -6.883 9.716 -5.632 1.00 0.00 O ATOM 195 CB LEU A 14 -6.069 7.644 -3.009 1.00 0.00 C ATOM 196 CG LEU A 14 -5.027 6.529 -3.128 1.00 0.00 C ATOM 197 CD1 LEU A 14 -4.948 5.762 -1.806 1.00 0.00 C ATOM 198 CD2 LEU A 14 -5.433 5.568 -4.248 1.00 0.00 C ATOM 0 H LEU A 14 -5.070 9.638 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.916 8.550 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.216 7.908 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.031 7.299 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.054 6.965 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.206 4.968 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.660 6.444 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.921 5.327 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.691 4.774 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.406 5.133 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.492 6.112 -5.191 1.00 0.00 H new ATOM 210 N GLN A 15 -7.742 10.004 -3.641 1.00 0.00 N ATOM 211 CA GLN A 15 -8.927 10.701 -4.216 1.00 0.00 C ATOM 212 C GLN A 15 -8.501 12.079 -4.733 1.00 0.00 C ATOM 213 O GLN A 15 -9.250 12.758 -5.407 1.00 0.00 O ATOM 214 CB GLN A 15 -9.993 10.869 -3.132 1.00 0.00 C ATOM 215 CG GLN A 15 -9.539 11.934 -2.133 1.00 0.00 C ATOM 216 CD GLN A 15 -10.670 12.228 -1.146 1.00 0.00 C ATOM 217 OE1 GLN A 15 -11.735 11.650 -1.235 1.00 0.00 O ATOM 218 NE2 GLN A 15 -10.481 13.107 -0.201 1.00 0.00 N ATOM 0 H GLN A 15 -7.741 9.910 -2.625 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.336 10.113 -5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.943 11.158 -3.582 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -10.159 9.921 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.655 11.590 -1.596 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.257 12.845 -2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.587 13.592 -0.127 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.228 13.309 0.464 1.00 0.00 H new ATOM 227 N THR A 16 -7.308 12.502 -4.409 1.00 0.00 N ATOM 228 CA THR A 16 -6.839 13.842 -4.868 1.00 0.00 C ATOM 229 C THR A 16 -6.152 13.729 -6.225 1.00 0.00 C ATOM 230 O THR A 16 -6.628 14.234 -7.222 1.00 0.00 O ATOM 231 CB THR A 16 -5.852 14.412 -3.846 1.00 0.00 C ATOM 232 OG1 THR A 16 -6.537 14.692 -2.633 1.00 0.00 O ATOM 233 CG2 THR A 16 -5.233 15.698 -4.395 1.00 0.00 C ATOM 0 H THR A 16 -6.638 11.978 -3.846 1.00 0.00 H new ATOM 0 HA THR A 16 -7.700 14.504 -4.962 1.00 0.00 H new ATOM 0 HB THR A 16 -5.063 13.684 -3.657 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.661 13.861 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.530 16.103 -3.667 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.707 15.481 -5.325 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.020 16.428 -4.585 1.00 0.00 H new ATOM 241 N TYR A 17 -5.034 13.078 -6.262 1.00 0.00 N ATOM 242 CA TYR A 17 -4.293 12.932 -7.548 1.00 0.00 C ATOM 243 C TYR A 17 -4.765 11.673 -8.276 1.00 0.00 C ATOM 244 O TYR A 17 -4.390 11.418 -9.403 1.00 0.00 O ATOM 245 CB TYR A 17 -2.793 12.822 -7.263 1.00 0.00 C ATOM 246 CG TYR A 17 -2.254 14.178 -6.876 1.00 0.00 C ATOM 247 CD1 TYR A 17 -2.285 14.587 -5.537 1.00 0.00 C ATOM 248 CD2 TYR A 17 -1.723 15.027 -7.855 1.00 0.00 C ATOM 249 CE1 TYR A 17 -1.785 15.844 -5.177 1.00 0.00 C ATOM 250 CE2 TYR A 17 -1.224 16.284 -7.495 1.00 0.00 C ATOM 251 CZ TYR A 17 -1.254 16.693 -6.156 1.00 0.00 C ATOM 252 OH TYR A 17 -0.762 17.932 -5.802 1.00 0.00 O ATOM 0 H TYR A 17 -4.593 12.635 -5.456 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.484 13.804 -8.174 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.616 12.106 -6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.271 12.449 -8.144 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.695 13.932 -4.782 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.699 14.712 -8.888 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.809 16.159 -4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.816 16.939 -8.250 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.430 18.393 -6.601 1.00 0.00 H new ATOM 262 N HIS A 18 -5.588 10.886 -7.643 1.00 0.00 N ATOM 263 CA HIS A 18 -6.087 9.645 -8.299 1.00 0.00 C ATOM 264 C HIS A 18 -4.898 8.787 -8.735 1.00 0.00 C ATOM 265 O HIS A 18 -4.737 8.470 -9.896 1.00 0.00 O ATOM 266 CB HIS A 18 -6.938 10.023 -9.511 1.00 0.00 C ATOM 267 CG HIS A 18 -8.235 10.617 -9.032 1.00 0.00 C ATOM 268 ND1 HIS A 18 -8.586 11.219 -7.847 1.00 0.00 N flip ATOM 269 CD2 HIS A 18 -9.379 10.626 -9.814 1.00 0.00 C flip ATOM 270 CE1 HIS A 18 -9.924 11.595 -7.891 1.00 0.00 C flip ATOM 271 NE2 HIS A 18 -10.355 11.215 -9.097 1.00 0.00 N flip ATOM 0 H HIS A 18 -5.938 11.048 -6.699 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.697 9.075 -7.599 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.405 10.738 -10.137 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.131 9.143 -10.125 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.471 10.233 -10.816 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.493 12.088 -7.117 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.308 11.354 -9.434 1.00 0.00 H new ATOM 279 N LYS A 19 -4.068 8.411 -7.799 1.00 0.00 N ATOM 280 CA LYS A 19 -2.881 7.571 -8.126 1.00 0.00 C ATOM 281 C LYS A 19 -1.877 7.671 -6.977 1.00 0.00 C ATOM 282 O LYS A 19 -1.559 8.748 -6.516 1.00 0.00 O ATOM 283 CB LYS A 19 -2.226 8.071 -9.416 1.00 0.00 C ATOM 284 CG LYS A 19 -2.142 9.598 -9.390 1.00 0.00 C ATOM 285 CD LYS A 19 -0.798 10.045 -9.967 1.00 0.00 C ATOM 286 CE LYS A 19 -0.853 9.987 -11.495 1.00 0.00 C ATOM 287 NZ LYS A 19 -0.652 11.354 -12.052 1.00 0.00 N ATOM 0 H LYS A 19 -4.163 8.653 -6.813 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.193 6.536 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.229 7.644 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.804 7.743 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.959 10.028 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.250 9.961 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.569 11.059 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.001 9.402 -9.597 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.084 9.313 -11.872 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.814 9.588 -11.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.689 11.315 -13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.401 11.985 -11.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.275 11.718 -11.753 1.00 0.00 H new ATOM 301 N LEU A 20 -1.377 6.561 -6.505 1.00 0.00 N ATOM 302 CA LEU A 20 -0.397 6.611 -5.383 1.00 0.00 C ATOM 303 C LEU A 20 0.627 7.716 -5.656 1.00 0.00 C ATOM 304 O LEU A 20 0.927 8.012 -6.796 1.00 0.00 O ATOM 305 CB LEU A 20 0.329 5.267 -5.271 1.00 0.00 C ATOM 306 CG LEU A 20 -0.664 4.178 -4.864 1.00 0.00 C ATOM 307 CD1 LEU A 20 0.099 2.895 -4.529 1.00 0.00 C ATOM 308 CD2 LEU A 20 -1.448 4.638 -3.633 1.00 0.00 C ATOM 0 H LEU A 20 -1.603 5.627 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.924 6.817 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.792 5.012 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.130 5.336 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.354 3.989 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.607 2.117 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.661 2.567 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.788 3.086 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.156 3.862 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.757 4.826 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.990 5.554 -3.868 1.00 0.00 H new ATOM 320 N PRO A 21 1.139 8.290 -4.598 1.00 0.00 N ATOM 321 CA PRO A 21 2.141 9.364 -4.697 1.00 0.00 C ATOM 322 C PRO A 21 3.318 8.917 -5.562 1.00 0.00 C ATOM 323 O PRO A 21 3.512 7.742 -5.805 1.00 0.00 O ATOM 324 CB PRO A 21 2.600 9.603 -3.253 1.00 0.00 C ATOM 325 CG PRO A 21 1.665 8.784 -2.326 1.00 0.00 C ATOM 326 CD PRO A 21 0.766 7.916 -3.222 1.00 0.00 C ATOM 0 HA PRO A 21 1.736 10.265 -5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.637 9.292 -3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.552 10.664 -3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.248 8.160 -1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.062 9.448 -1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.933 6.854 -3.041 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.289 8.110 -3.031 1.00 0.00 H new ATOM 334 N ASP A 22 4.113 9.844 -6.018 1.00 0.00 N ATOM 335 CA ASP A 22 5.283 9.468 -6.853 1.00 0.00 C ATOM 336 C ASP A 22 6.328 8.787 -5.969 1.00 0.00 C ATOM 337 O ASP A 22 7.339 8.309 -6.443 1.00 0.00 O ATOM 338 CB ASP A 22 5.887 10.723 -7.487 1.00 0.00 C ATOM 339 CG ASP A 22 4.939 11.259 -8.561 1.00 0.00 C ATOM 340 OD1 ASP A 22 3.920 10.629 -8.792 1.00 0.00 O ATOM 341 OD2 ASP A 22 5.248 12.291 -9.134 1.00 0.00 O ATOM 0 H ASP A 22 4.002 10.844 -5.848 1.00 0.00 H new ATOM 0 HA ASP A 22 4.967 8.786 -7.642 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.056 11.483 -6.724 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.857 10.491 -7.926 1.00 0.00 H new ATOM 346 N ASN A 23 6.091 8.738 -4.684 1.00 0.00 N ATOM 347 CA ASN A 23 7.073 8.086 -3.774 1.00 0.00 C ATOM 348 C ASN A 23 6.653 6.636 -3.519 1.00 0.00 C ATOM 349 O ASN A 23 7.182 5.973 -2.649 1.00 0.00 O ATOM 350 CB ASN A 23 7.122 8.845 -2.446 1.00 0.00 C ATOM 351 CG ASN A 23 5.741 8.814 -1.789 1.00 0.00 C ATOM 352 OD1 ASN A 23 5.188 7.757 -1.560 1.00 0.00 O ATOM 353 ND2 ASN A 23 5.157 9.938 -1.473 1.00 0.00 N ATOM 0 H ASN A 23 5.262 9.120 -4.229 1.00 0.00 H new ATOM 0 HA ASN A 23 8.060 8.101 -4.237 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.861 8.394 -1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.433 9.876 -2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.236 9.929 -1.034 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.621 10.826 -1.665 1.00 0.00 H new ATOM 360 N TYR A 24 5.710 6.135 -4.271 1.00 0.00 N ATOM 361 CA TYR A 24 5.269 4.726 -4.066 1.00 0.00 C ATOM 362 C TYR A 24 5.894 3.835 -5.139 1.00 0.00 C ATOM 363 O TYR A 24 5.537 3.900 -6.298 1.00 0.00 O ATOM 364 CB TYR A 24 3.745 4.634 -4.162 1.00 0.00 C ATOM 365 CG TYR A 24 3.153 4.621 -2.773 1.00 0.00 C ATOM 366 CD1 TYR A 24 2.841 5.826 -2.136 1.00 0.00 C ATOM 367 CD2 TYR A 24 2.918 3.403 -2.123 1.00 0.00 C ATOM 368 CE1 TYR A 24 2.294 5.817 -0.848 1.00 0.00 C ATOM 369 CE2 TYR A 24 2.371 3.393 -0.834 1.00 0.00 C ATOM 370 CZ TYR A 24 2.059 4.600 -0.196 1.00 0.00 C ATOM 371 OH TYR A 24 1.519 4.591 1.074 1.00 0.00 O ATOM 0 H TYR A 24 5.228 6.639 -5.016 1.00 0.00 H new ATOM 0 HA TYR A 24 5.588 4.395 -3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.354 5.480 -4.728 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.458 3.731 -4.700 1.00 0.00 H new ATOM 0 HD1 TYR A 24 3.022 6.765 -2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.158 2.472 -2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.053 6.748 -0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.190 2.454 -0.332 1.00 0.00 H new ATOM 0 HH TYR A 24 1.953 3.894 1.609 1.00 0.00 H new ATOM 381 N ILE A 25 6.819 2.999 -4.761 1.00 0.00 N ATOM 382 CA ILE A 25 7.459 2.100 -5.759 1.00 0.00 C ATOM 383 C ILE A 25 7.122 0.651 -5.411 1.00 0.00 C ATOM 384 O ILE A 25 7.469 0.161 -4.355 1.00 0.00 O ATOM 385 CB ILE A 25 8.976 2.300 -5.731 1.00 0.00 C ATOM 386 CG1 ILE A 25 9.520 1.902 -4.356 1.00 0.00 C ATOM 387 CG2 ILE A 25 9.301 3.771 -5.998 1.00 0.00 C ATOM 388 CD1 ILE A 25 10.364 0.634 -4.489 1.00 0.00 C ATOM 0 H ILE A 25 7.159 2.900 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 25 7.088 2.332 -6.757 1.00 0.00 H new ATOM 0 HB ILE A 25 9.437 1.679 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.123 2.711 -3.943 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.696 1.732 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.381 3.914 -5.978 1.00 0.00 H new ATOM 0 HG22 ILE A 25 8.915 4.057 -6.976 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.839 4.391 -5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.751 0.350 -3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.747 -0.174 -4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.196 0.820 -5.168 1.00 0.00 H new ATOM 400 N THR A 26 6.443 -0.038 -6.286 1.00 0.00 N ATOM 401 CA THR A 26 6.083 -1.453 -5.995 1.00 0.00 C ATOM 402 C THR A 26 7.308 -2.183 -5.444 1.00 0.00 C ATOM 403 O THR A 26 8.404 -1.658 -5.439 1.00 0.00 O ATOM 404 CB THR A 26 5.614 -2.139 -7.280 1.00 0.00 C ATOM 405 OG1 THR A 26 6.740 -2.437 -8.094 1.00 0.00 O ATOM 406 CG2 THR A 26 4.663 -1.212 -8.039 1.00 0.00 C ATOM 0 H THR A 26 6.123 0.317 -7.187 1.00 0.00 H new ATOM 0 HA THR A 26 5.279 -1.480 -5.259 1.00 0.00 H new ATOM 0 HB THR A 26 5.092 -3.063 -7.029 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.441 -2.878 -8.917 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.330 -1.702 -8.954 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.799 -0.986 -7.414 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.181 -0.287 -8.291 1.00 0.00 H new ATOM 414 N LYS A 27 7.138 -3.390 -4.982 1.00 0.00 N ATOM 415 CA LYS A 27 8.316 -4.131 -4.437 1.00 0.00 C ATOM 416 C LYS A 27 9.273 -4.451 -5.582 1.00 0.00 C ATOM 417 O LYS A 27 10.471 -4.302 -5.458 1.00 0.00 O ATOM 418 CB LYS A 27 7.907 -5.440 -3.742 1.00 0.00 C ATOM 419 CG LYS A 27 6.385 -5.552 -3.604 1.00 0.00 C ATOM 420 CD LYS A 27 5.789 -6.076 -4.912 1.00 0.00 C ATOM 421 CE LYS A 27 5.806 -7.605 -4.904 1.00 0.00 C ATOM 422 NZ LYS A 27 6.369 -8.103 -6.191 1.00 0.00 N ATOM 0 H LYS A 27 6.250 -3.892 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 27 8.796 -3.496 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.285 -6.289 -4.312 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.367 -5.488 -2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.132 -6.223 -2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.959 -4.578 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.768 -5.714 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.360 -5.700 -5.761 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.404 -7.968 -4.068 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.796 -7.990 -4.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.381 -9.143 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.781 -7.767 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.339 -7.747 -6.307 1.00 0.00 H new ATOM 436 N SER A 28 8.758 -4.878 -6.702 1.00 0.00 N ATOM 437 CA SER A 28 9.652 -5.187 -7.850 1.00 0.00 C ATOM 438 C SER A 28 10.490 -3.947 -8.148 1.00 0.00 C ATOM 439 O SER A 28 11.679 -4.025 -8.403 1.00 0.00 O ATOM 440 CB SER A 28 8.811 -5.548 -9.074 1.00 0.00 C ATOM 441 OG SER A 28 7.831 -6.509 -8.704 1.00 0.00 O ATOM 0 H SER A 28 7.763 -5.025 -6.870 1.00 0.00 H new ATOM 0 HA SER A 28 10.299 -6.030 -7.609 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.329 -4.656 -9.474 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.449 -5.947 -9.863 1.00 0.00 H new ATOM 0 HG SER A 28 7.289 -6.741 -9.487 1.00 0.00 H new ATOM 447 N GLU A 29 9.878 -2.797 -8.097 1.00 0.00 N ATOM 448 CA GLU A 29 10.634 -1.546 -8.355 1.00 0.00 C ATOM 449 C GLU A 29 11.794 -1.474 -7.369 1.00 0.00 C ATOM 450 O GLU A 29 12.897 -1.106 -7.719 1.00 0.00 O ATOM 451 CB GLU A 29 9.714 -0.338 -8.161 1.00 0.00 C ATOM 452 CG GLU A 29 9.201 0.138 -9.521 1.00 0.00 C ATOM 453 CD GLU A 29 10.378 0.622 -10.370 1.00 0.00 C ATOM 454 OE1 GLU A 29 11.067 1.528 -9.929 1.00 0.00 O ATOM 455 OE2 GLU A 29 10.571 0.080 -11.445 1.00 0.00 O ATOM 0 H GLU A 29 8.888 -2.672 -7.888 1.00 0.00 H new ATOM 0 HA GLU A 29 11.011 -1.539 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.876 -0.606 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.254 0.467 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.681 -0.674 -10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.479 0.944 -9.388 1.00 0.00 H new ATOM 462 N ALA A 30 11.560 -1.841 -6.138 1.00 0.00 N ATOM 463 CA ALA A 30 12.663 -1.809 -5.143 1.00 0.00 C ATOM 464 C ALA A 30 13.730 -2.815 -5.569 1.00 0.00 C ATOM 465 O ALA A 30 14.914 -2.581 -5.423 1.00 0.00 O ATOM 466 CB ALA A 30 12.119 -2.181 -3.765 1.00 0.00 C ATOM 0 H ALA A 30 10.658 -2.159 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 30 13.095 -0.810 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.929 -2.157 -3.036 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.347 -1.468 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.692 -3.183 -3.801 1.00 0.00 H new ATOM 472 N GLN A 31 13.320 -3.931 -6.109 1.00 0.00 N ATOM 473 CA GLN A 31 14.310 -4.945 -6.560 1.00 0.00 C ATOM 474 C GLN A 31 15.200 -4.313 -7.628 1.00 0.00 C ATOM 475 O GLN A 31 16.392 -4.544 -7.676 1.00 0.00 O ATOM 476 CB GLN A 31 13.581 -6.152 -7.155 1.00 0.00 C ATOM 477 CG GLN A 31 12.540 -6.669 -6.161 1.00 0.00 C ATOM 478 CD GLN A 31 13.192 -7.681 -5.218 1.00 0.00 C ATOM 479 OE1 GLN A 31 13.086 -7.563 -4.014 1.00 0.00 O ATOM 480 NE2 GLN A 31 13.867 -8.680 -5.719 1.00 0.00 N ATOM 0 H GLN A 31 12.342 -4.182 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 31 14.913 -5.276 -5.714 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.097 -5.871 -8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.296 -6.941 -7.390 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.124 -5.839 -5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.712 -7.135 -6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.956 -8.779 -6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.305 -9.361 -5.099 1.00 0.00 H new ATOM 489 N ALA A 32 14.625 -3.518 -8.489 1.00 0.00 N ATOM 490 CA ALA A 32 15.430 -2.871 -9.555 1.00 0.00 C ATOM 491 C ALA A 32 16.527 -2.015 -8.928 1.00 0.00 C ATOM 492 O ALA A 32 17.621 -1.904 -9.444 1.00 0.00 O ATOM 493 CB ALA A 32 14.523 -1.991 -10.418 1.00 0.00 C ATOM 0 H ALA A 32 13.631 -3.290 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 32 15.888 -3.641 -10.176 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.115 -1.516 -11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.746 -2.605 -10.873 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.062 -1.224 -9.796 1.00 0.00 H new ATOM 499 N LEU A 33 16.232 -1.406 -7.824 1.00 0.00 N ATOM 500 CA LEU A 33 17.238 -0.540 -7.145 1.00 0.00 C ATOM 501 C LEU A 33 18.204 -1.391 -6.321 1.00 0.00 C ATOM 502 O LEU A 33 19.246 -0.931 -5.897 1.00 0.00 O ATOM 503 CB LEU A 33 16.510 0.449 -6.247 1.00 0.00 C ATOM 504 CG LEU A 33 15.835 1.489 -7.134 1.00 0.00 C ATOM 505 CD1 LEU A 33 14.342 1.181 -7.237 1.00 0.00 C ATOM 506 CD2 LEU A 33 16.045 2.875 -6.534 1.00 0.00 C ATOM 0 H LEU A 33 15.329 -1.468 -7.353 1.00 0.00 H new ATOM 0 HA LEU A 33 17.817 0.001 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.770 -0.067 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.210 0.929 -5.564 1.00 0.00 H new ATOM 0 HG LEU A 33 16.271 1.461 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.860 1.925 -7.871 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.204 0.190 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.896 1.208 -6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.564 3.622 -7.166 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.609 2.909 -5.535 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.112 3.086 -6.471 1.00 0.00 H new ATOM 518 N GLY A 34 17.871 -2.627 -6.096 1.00 0.00 N ATOM 519 CA GLY A 34 18.774 -3.511 -5.304 1.00 0.00 C ATOM 520 C GLY A 34 18.136 -3.832 -3.951 1.00 0.00 C ATOM 521 O GLY A 34 18.801 -3.865 -2.934 1.00 0.00 O ATOM 0 H GLY A 34 17.012 -3.067 -6.425 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.967 -4.433 -5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 34 19.736 -3.022 -5.155 1.00 0.00 H new ATOM 525 N TRP A 35 16.855 -4.074 -3.928 1.00 0.00 N ATOM 526 CA TRP A 35 16.181 -4.398 -2.639 1.00 0.00 C ATOM 527 C TRP A 35 15.771 -5.874 -2.648 1.00 0.00 C ATOM 528 O TRP A 35 14.991 -6.307 -3.473 1.00 0.00 O ATOM 529 CB TRP A 35 14.945 -3.500 -2.473 1.00 0.00 C ATOM 530 CG TRP A 35 13.950 -4.134 -1.547 1.00 0.00 C ATOM 531 CD1 TRP A 35 14.019 -4.117 -0.196 1.00 0.00 C ATOM 532 CD2 TRP A 35 12.741 -4.873 -1.886 1.00 0.00 C ATOM 533 NE1 TRP A 35 12.927 -4.799 0.315 1.00 0.00 N ATOM 534 CE2 TRP A 35 12.111 -5.283 -0.689 1.00 0.00 C ATOM 535 CE3 TRP A 35 12.138 -5.223 -3.106 1.00 0.00 C ATOM 536 CZ2 TRP A 35 10.922 -6.014 -0.702 1.00 0.00 C ATOM 537 CZ3 TRP A 35 10.942 -5.958 -3.123 1.00 0.00 C ATOM 538 CH2 TRP A 35 10.336 -6.353 -1.924 1.00 0.00 C ATOM 0 H TRP A 35 16.245 -4.062 -4.746 1.00 0.00 H new ATOM 0 HA TRP A 35 16.859 -4.221 -1.804 1.00 0.00 H new ATOM 0 HB2 TRP A 35 15.245 -2.528 -2.082 1.00 0.00 H new ATOM 0 HB3 TRP A 35 14.484 -3.324 -3.445 1.00 0.00 H new ATOM 0 HD1 TRP A 35 14.797 -3.649 0.388 1.00 0.00 H new ATOM 0 HE1 TRP A 35 12.747 -4.928 1.311 1.00 0.00 H new ATOM 0 HE3 TRP A 35 12.598 -4.925 -4.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 10.458 -6.315 0.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 10.487 -6.220 -4.066 1.00 0.00 H new ATOM 0 HH2 TRP A 35 9.417 -6.919 -1.944 1.00 0.00 H new ATOM 549 N VAL A 36 16.289 -6.646 -1.734 1.00 0.00 N ATOM 550 CA VAL A 36 15.927 -8.089 -1.687 1.00 0.00 C ATOM 551 C VAL A 36 14.725 -8.273 -0.763 1.00 0.00 C ATOM 552 O VAL A 36 14.819 -8.097 0.435 1.00 0.00 O ATOM 553 CB VAL A 36 17.111 -8.897 -1.154 1.00 0.00 C ATOM 554 CG1 VAL A 36 16.798 -10.390 -1.260 1.00 0.00 C ATOM 555 CG2 VAL A 36 18.358 -8.578 -1.982 1.00 0.00 C ATOM 0 H VAL A 36 16.947 -6.340 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 36 15.677 -8.437 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 36 17.290 -8.636 -0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.642 -10.966 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 36 15.909 -10.618 -0.672 1.00 0.00 H new ATOM 0 HG13 VAL A 36 16.620 -10.651 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.203 -9.153 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.179 -8.840 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.581 -7.514 -1.908 1.00 0.00 H new ATOM 565 N ALA A 37 13.593 -8.620 -1.308 1.00 0.00 N ATOM 566 CA ALA A 37 12.386 -8.807 -0.457 1.00 0.00 C ATOM 567 C ALA A 37 12.670 -9.865 0.611 1.00 0.00 C ATOM 568 O ALA A 37 11.960 -9.978 1.591 1.00 0.00 O ATOM 569 CB ALA A 37 11.213 -9.262 -1.327 1.00 0.00 C ATOM 0 H ALA A 37 13.452 -8.782 -2.305 1.00 0.00 H new ATOM 0 HA ALA A 37 12.135 -7.863 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.329 -9.399 -0.704 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.008 -8.507 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.464 -10.205 -1.812 1.00 0.00 H new ATOM 615 N ASN A 41 15.563 -4.966 2.827 1.00 0.00 N ATOM 616 CA ASN A 41 16.551 -3.879 3.081 1.00 0.00 C ATOM 617 C ASN A 41 16.183 -2.645 2.251 1.00 0.00 C ATOM 618 O ASN A 41 17.020 -2.050 1.602 1.00 0.00 O ATOM 619 CB ASN A 41 17.951 -4.360 2.691 1.00 0.00 C ATOM 620 CG ASN A 41 17.883 -5.146 1.381 1.00 0.00 C ATOM 621 OD1 ASN A 41 17.554 -6.316 1.376 1.00 0.00 O ATOM 622 ND2 ASN A 41 18.183 -4.548 0.260 1.00 0.00 N ATOM 0 HA ASN A 41 16.538 -3.619 4.139 1.00 0.00 H new ATOM 0 HB2 ASN A 41 18.620 -3.507 2.580 1.00 0.00 H new ATOM 0 HB3 ASN A 41 18.363 -4.988 3.481 1.00 0.00 H new ATOM 0 HD21 ASN A 41 18.141 -5.063 -0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 41 18.459 -3.566 0.264 1.00 0.00 H new ATOM 629 N LEU A 42 14.936 -2.254 2.268 1.00 0.00 N ATOM 630 CA LEU A 42 14.515 -1.058 1.482 1.00 0.00 C ATOM 631 C LEU A 42 15.236 0.182 2.007 1.00 0.00 C ATOM 632 O LEU A 42 15.730 0.994 1.253 1.00 0.00 O ATOM 633 CB LEU A 42 13.007 -0.859 1.635 1.00 0.00 C ATOM 634 CG LEU A 42 12.408 -0.421 0.298 1.00 0.00 C ATOM 635 CD1 LEU A 42 12.639 -1.509 -0.750 1.00 0.00 C ATOM 636 CD2 LEU A 42 10.905 -0.194 0.463 1.00 0.00 C ATOM 0 H LEU A 42 14.191 -2.712 2.793 1.00 0.00 H new ATOM 0 HA LEU A 42 14.766 -1.210 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.540 -1.786 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.805 -0.108 2.399 1.00 0.00 H new ATOM 0 HG LEU A 42 12.887 0.504 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 42 12.211 -1.194 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 42 13.709 -1.676 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 42 12.162 -2.434 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.477 0.118 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.431 -1.120 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.734 0.582 1.209 1.00 0.00 H new ATOM 648 N ALA A 43 15.291 0.339 3.298 1.00 0.00 N ATOM 649 CA ALA A 43 15.971 1.532 3.876 1.00 0.00 C ATOM 650 C ALA A 43 17.466 1.503 3.537 1.00 0.00 C ATOM 651 O ALA A 43 18.184 2.450 3.792 1.00 0.00 O ATOM 652 CB ALA A 43 15.795 1.528 5.396 1.00 0.00 C ATOM 0 H ALA A 43 14.894 -0.307 3.980 1.00 0.00 H new ATOM 0 HA ALA A 43 15.528 2.434 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.292 2.400 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.733 1.560 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.235 0.621 5.811 1.00 0.00 H new ATOM 658 N ASP A 44 17.946 0.427 2.974 1.00 0.00 N ATOM 659 CA ASP A 44 19.396 0.350 2.636 1.00 0.00 C ATOM 660 C ASP A 44 19.606 0.602 1.139 1.00 0.00 C ATOM 661 O ASP A 44 20.679 0.980 0.712 1.00 0.00 O ATOM 662 CB ASP A 44 19.923 -1.041 2.990 1.00 0.00 C ATOM 663 CG ASP A 44 19.853 -1.246 4.505 1.00 0.00 C ATOM 664 OD1 ASP A 44 19.321 -0.378 5.177 1.00 0.00 O ATOM 665 OD2 ASP A 44 20.333 -2.268 4.967 1.00 0.00 O ATOM 0 H ASP A 44 17.399 -0.400 2.734 1.00 0.00 H new ATOM 0 HA ASP A 44 19.933 1.109 3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 44 19.334 -1.804 2.482 1.00 0.00 H new ATOM 0 HB3 ASP A 44 20.951 -1.150 2.645 1.00 0.00 H new ATOM 670 N VAL A 45 18.600 0.390 0.333 1.00 0.00 N ATOM 671 CA VAL A 45 18.768 0.615 -1.133 1.00 0.00 C ATOM 672 C VAL A 45 17.763 1.660 -1.624 1.00 0.00 C ATOM 673 O VAL A 45 18.115 2.590 -2.322 1.00 0.00 O ATOM 674 CB VAL A 45 18.542 -0.699 -1.882 1.00 0.00 C ATOM 675 CG1 VAL A 45 19.680 -1.670 -1.563 1.00 0.00 C ATOM 676 CG2 VAL A 45 17.210 -1.316 -1.448 1.00 0.00 C ATOM 0 H VAL A 45 17.675 0.073 0.623 1.00 0.00 H new ATOM 0 HA VAL A 45 19.779 0.976 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 45 18.518 -0.504 -2.954 1.00 0.00 H new ATOM 0 HG11 VAL A 45 19.519 -2.607 -2.097 1.00 0.00 H new ATOM 0 HG12 VAL A 45 20.629 -1.233 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 45 19.704 -1.863 -0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 45 17.051 -2.252 -1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 45 17.231 -1.510 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 45 16.398 -0.626 -1.676 1.00 0.00 H new ATOM 686 N ALA A 46 16.514 1.516 -1.271 1.00 0.00 N ATOM 687 CA ALA A 46 15.495 2.504 -1.729 1.00 0.00 C ATOM 688 C ALA A 46 14.702 3.038 -0.530 1.00 0.00 C ATOM 689 O ALA A 46 13.498 2.883 -0.470 1.00 0.00 O ATOM 690 CB ALA A 46 14.535 1.822 -2.708 1.00 0.00 C ATOM 0 H ALA A 46 16.156 0.760 -0.687 1.00 0.00 H new ATOM 0 HA ALA A 46 15.999 3.336 -2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.788 2.541 -3.045 1.00 0.00 H new ATOM 0 HB2 ALA A 46 15.094 1.450 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.038 0.989 -2.210 1.00 0.00 H new ATOM 696 N PRO A 47 15.399 3.661 0.389 1.00 0.00 N ATOM 697 CA PRO A 47 14.773 4.236 1.594 1.00 0.00 C ATOM 698 C PRO A 47 13.784 5.338 1.201 1.00 0.00 C ATOM 699 O PRO A 47 13.599 5.633 0.037 1.00 0.00 O ATOM 700 CB PRO A 47 15.939 4.828 2.398 1.00 0.00 C ATOM 701 CG PRO A 47 17.235 4.614 1.576 1.00 0.00 C ATOM 702 CD PRO A 47 16.859 3.838 0.304 1.00 0.00 C ATOM 0 HA PRO A 47 14.214 3.494 2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 47 15.775 5.889 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 47 16.018 4.342 3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 47 17.688 5.572 1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 47 17.970 4.059 2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 47 17.139 4.390 -0.593 1.00 0.00 H new ATOM 0 HD3 PRO A 47 17.372 2.877 0.260 1.00 0.00 H new ATOM 710 N GLY A 48 13.153 5.952 2.167 1.00 0.00 N ATOM 711 CA GLY A 48 12.181 7.039 1.855 1.00 0.00 C ATOM 712 C GLY A 48 11.319 6.634 0.658 1.00 0.00 C ATOM 713 O GLY A 48 11.302 7.299 -0.360 1.00 0.00 O ATOM 0 H GLY A 48 13.269 5.747 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.549 7.234 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.714 7.964 1.635 1.00 0.00 H new ATOM 717 N LYS A 49 10.602 5.551 0.770 1.00 0.00 N ATOM 718 CA LYS A 49 9.742 5.108 -0.362 1.00 0.00 C ATOM 719 C LYS A 49 8.544 4.330 0.185 1.00 0.00 C ATOM 720 O LYS A 49 8.476 4.021 1.358 1.00 0.00 O ATOM 721 CB LYS A 49 10.552 4.209 -1.299 1.00 0.00 C ATOM 722 CG LYS A 49 10.680 4.881 -2.667 1.00 0.00 C ATOM 723 CD LYS A 49 12.078 4.627 -3.233 1.00 0.00 C ATOM 724 CE LYS A 49 12.252 5.410 -4.535 1.00 0.00 C ATOM 725 NZ LYS A 49 12.479 6.850 -4.222 1.00 0.00 N ATOM 0 H LYS A 49 10.574 4.954 1.596 1.00 0.00 H new ATOM 0 HA LYS A 49 9.389 5.979 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.541 4.025 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.064 3.240 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.924 4.490 -3.348 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.503 5.953 -2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.835 4.930 -2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.220 3.562 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.094 5.013 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.366 5.298 -5.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.813 7.342 -5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.588 7.280 -3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.194 6.934 -3.472 1.00 0.00 H new ATOM 739 N SER A 50 7.597 4.013 -0.654 1.00 0.00 N ATOM 740 CA SER A 50 6.405 3.258 -0.179 1.00 0.00 C ATOM 741 C SER A 50 6.051 2.169 -1.193 1.00 0.00 C ATOM 742 O SER A 50 5.744 2.446 -2.335 1.00 0.00 O ATOM 743 CB SER A 50 5.223 4.216 -0.027 1.00 0.00 C ATOM 744 OG SER A 50 5.605 5.305 0.803 1.00 0.00 O ATOM 0 H SER A 50 7.597 4.244 -1.647 1.00 0.00 H new ATOM 0 HA SER A 50 6.627 2.798 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.908 4.582 -1.004 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.371 3.694 0.408 1.00 0.00 H new ATOM 0 HG SER A 50 4.909 5.995 0.778 1.00 0.00 H new ATOM 750 N ILE A 51 6.088 0.931 -0.785 1.00 0.00 N ATOM 751 CA ILE A 51 5.748 -0.172 -1.726 1.00 0.00 C ATOM 752 C ILE A 51 4.228 -0.237 -1.891 1.00 0.00 C ATOM 753 O ILE A 51 3.523 -0.716 -1.026 1.00 0.00 O ATOM 754 CB ILE A 51 6.259 -1.499 -1.161 1.00 0.00 C ATOM 755 CG1 ILE A 51 7.706 -1.331 -0.685 1.00 0.00 C ATOM 756 CG2 ILE A 51 6.199 -2.572 -2.249 1.00 0.00 C ATOM 757 CD1 ILE A 51 8.644 -1.264 -1.893 1.00 0.00 C ATOM 0 H ILE A 51 6.339 0.636 0.159 1.00 0.00 H new ATOM 0 HA ILE A 51 6.215 0.011 -2.694 1.00 0.00 H new ATOM 0 HB ILE A 51 5.635 -1.800 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.800 -0.423 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 51 7.986 -2.165 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.563 -3.518 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.169 -2.692 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.822 -2.271 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.672 -1.145 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.559 -2.184 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 51 8.370 -0.415 -2.520 1.00 0.00 H new ATOM 769 N GLY A 52 3.715 0.244 -2.991 1.00 0.00 N ATOM 770 CA GLY A 52 2.238 0.210 -3.195 1.00 0.00 C ATOM 771 C GLY A 52 1.926 0.031 -4.680 1.00 0.00 C ATOM 772 O GLY A 52 2.800 0.099 -5.522 1.00 0.00 O ATOM 0 H GLY A 52 4.251 0.657 -3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.801 -0.607 -2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.789 1.133 -2.828 1.00 0.00 H new ATOM 776 N GLY A 53 0.684 -0.195 -5.010 1.00 0.00 N ATOM 777 CA GLY A 53 0.316 -0.376 -6.443 1.00 0.00 C ATOM 778 C GLY A 53 0.200 -1.867 -6.760 1.00 0.00 C ATOM 779 O GLY A 53 0.046 -2.259 -7.899 1.00 0.00 O ATOM 0 H GLY A 53 -0.091 -0.262 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.629 0.125 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.069 0.084 -7.083 1.00 0.00 H new ATOM 783 N ASP A 54 0.270 -2.705 -5.761 1.00 0.00 N ATOM 784 CA ASP A 54 0.161 -4.168 -6.013 1.00 0.00 C ATOM 785 C ASP A 54 -1.312 -4.544 -6.181 1.00 0.00 C ATOM 786 O ASP A 54 -2.182 -3.980 -5.548 1.00 0.00 O ATOM 787 CB ASP A 54 0.753 -4.937 -4.830 1.00 0.00 C ATOM 788 CG ASP A 54 2.258 -5.114 -5.038 1.00 0.00 C ATOM 789 OD1 ASP A 54 2.659 -5.311 -6.174 1.00 0.00 O ATOM 790 OD2 ASP A 54 2.983 -5.049 -4.060 1.00 0.00 O ATOM 0 H ASP A 54 0.398 -2.439 -4.784 1.00 0.00 H new ATOM 0 HA ASP A 54 0.709 -4.423 -6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.564 -4.398 -3.901 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.271 -5.910 -4.737 1.00 0.00 H new ATOM 795 N ILE A 55 -1.598 -5.490 -7.032 1.00 0.00 N ATOM 796 CA ILE A 55 -3.015 -5.898 -7.240 1.00 0.00 C ATOM 797 C ILE A 55 -3.526 -6.625 -5.995 1.00 0.00 C ATOM 798 O ILE A 55 -2.836 -7.436 -5.410 1.00 0.00 O ATOM 799 CB ILE A 55 -3.107 -6.829 -8.451 1.00 0.00 C ATOM 800 CG1 ILE A 55 -2.899 -6.017 -9.731 1.00 0.00 C ATOM 801 CG2 ILE A 55 -4.487 -7.490 -8.488 1.00 0.00 C ATOM 802 CD1 ILE A 55 -4.097 -5.090 -9.949 1.00 0.00 C ATOM 0 H ILE A 55 -0.913 -5.997 -7.592 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.625 -5.012 -7.418 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.339 -7.599 -8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.982 -5.432 -9.658 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.784 -6.686 -10.584 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.550 -8.152 -9.351 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.639 -8.067 -7.576 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.257 -6.722 -8.563 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.948 -4.512 -10.861 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.006 -5.685 -10.041 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.191 -4.412 -9.101 1.00 0.00 H new ATOM 814 N PHE A 56 -4.731 -6.340 -5.588 1.00 0.00 N ATOM 815 CA PHE A 56 -5.292 -7.013 -4.383 1.00 0.00 C ATOM 816 C PHE A 56 -6.426 -7.947 -4.806 1.00 0.00 C ATOM 817 O PHE A 56 -7.572 -7.552 -4.886 1.00 0.00 O ATOM 818 CB PHE A 56 -5.832 -5.959 -3.411 1.00 0.00 C ATOM 819 CG PHE A 56 -6.195 -6.622 -2.104 1.00 0.00 C ATOM 820 CD1 PHE A 56 -5.186 -7.058 -1.236 1.00 0.00 C ATOM 821 CD2 PHE A 56 -7.540 -6.800 -1.760 1.00 0.00 C ATOM 822 CE1 PHE A 56 -5.523 -7.673 -0.024 1.00 0.00 C ATOM 823 CE2 PHE A 56 -7.877 -7.414 -0.548 1.00 0.00 C ATOM 824 CZ PHE A 56 -6.869 -7.850 0.320 1.00 0.00 C ATOM 0 H PHE A 56 -5.353 -5.669 -6.038 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.509 -7.590 -3.891 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.083 -5.185 -3.243 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.707 -5.469 -3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.148 -6.920 -1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.318 -6.464 -2.430 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.745 -8.011 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.915 -7.551 -0.283 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.129 -8.323 1.255 1.00 0.00 H new ATOM 905 N LYS A 62 -12.464 -9.742 2.939 1.00 0.00 N ATOM 906 CA LYS A 62 -13.034 -8.824 3.966 1.00 0.00 C ATOM 907 C LYS A 62 -13.380 -7.480 3.322 1.00 0.00 C ATOM 908 O LYS A 62 -13.981 -6.622 3.937 1.00 0.00 O ATOM 909 CB LYS A 62 -12.010 -8.609 5.082 1.00 0.00 C ATOM 910 CG LYS A 62 -12.291 -9.585 6.227 1.00 0.00 C ATOM 911 CD LYS A 62 -12.544 -8.800 7.515 1.00 0.00 C ATOM 912 CE LYS A 62 -12.588 -9.766 8.701 1.00 0.00 C ATOM 913 NZ LYS A 62 -13.529 -9.243 9.733 1.00 0.00 N ATOM 0 HA LYS A 62 -13.939 -9.266 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -11.001 -8.762 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.061 -7.582 5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.157 -10.202 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.445 -10.260 6.360 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.757 -8.061 7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.485 -8.254 7.442 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.908 -10.753 8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.591 -9.881 9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.559 -9.899 10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.204 -8.310 10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -14.480 -9.155 9.322 1.00 0.00 H new ATOM 927 N LEU A 63 -13.009 -7.292 2.087 1.00 0.00 N ATOM 928 CA LEU A 63 -13.321 -6.005 1.400 1.00 0.00 C ATOM 929 C LEU A 63 -14.623 -6.162 0.607 1.00 0.00 C ATOM 930 O LEU A 63 -14.908 -7.226 0.095 1.00 0.00 O ATOM 931 CB LEU A 63 -12.182 -5.646 0.442 1.00 0.00 C ATOM 932 CG LEU A 63 -10.980 -5.133 1.238 1.00 0.00 C ATOM 933 CD1 LEU A 63 -9.700 -5.363 0.433 1.00 0.00 C ATOM 934 CD2 LEU A 63 -11.145 -3.635 1.504 1.00 0.00 C ATOM 0 H LEU A 63 -12.503 -7.974 1.522 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.433 -5.213 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.897 -6.521 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.514 -4.885 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.919 -5.668 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.843 -4.998 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.579 -6.429 0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.764 -4.827 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.289 -3.270 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.206 -3.102 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.058 -3.465 2.075 1.00 0.00 H new ATOM 946 N PRO A 64 -15.377 -5.094 0.530 1.00 0.00 N ATOM 947 CA PRO A 64 -16.659 -5.092 -0.198 1.00 0.00 C ATOM 948 C PRO A 64 -16.430 -5.431 -1.673 1.00 0.00 C ATOM 949 O PRO A 64 -16.273 -4.559 -2.504 1.00 0.00 O ATOM 950 CB PRO A 64 -17.193 -3.661 -0.048 1.00 0.00 C ATOM 951 CG PRO A 64 -16.174 -2.863 0.805 1.00 0.00 C ATOM 952 CD PRO A 64 -15.016 -3.811 1.158 1.00 0.00 C ATOM 0 HA PRO A 64 -17.359 -5.832 0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -17.320 -3.196 -1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.172 -3.667 0.432 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.806 -1.999 0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.647 -2.484 1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.067 -3.436 0.775 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -14.905 -3.916 2.237 1.00 0.00 H new ATOM 960 N GLY A 65 -16.411 -6.693 -2.005 1.00 0.00 N ATOM 961 CA GLY A 65 -16.193 -7.087 -3.426 1.00 0.00 C ATOM 962 C GLY A 65 -17.530 -7.478 -4.059 1.00 0.00 C ATOM 963 O GLY A 65 -18.580 -7.291 -3.478 1.00 0.00 O ATOM 0 H GLY A 65 -16.537 -7.468 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.745 -6.261 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.495 -7.923 -3.480 1.00 0.00 H new ATOM 1031 N THR A 70 -12.455 -5.761 -8.550 1.00 0.00 N ATOM 1032 CA THR A 70 -10.999 -5.884 -8.258 1.00 0.00 C ATOM 1033 C THR A 70 -10.614 -4.901 -7.150 1.00 0.00 C ATOM 1034 O THR A 70 -11.355 -3.996 -6.825 1.00 0.00 O ATOM 1035 CB THR A 70 -10.196 -5.568 -9.522 1.00 0.00 C ATOM 1036 OG1 THR A 70 -11.004 -5.809 -10.666 1.00 0.00 O ATOM 1037 CG2 THR A 70 -8.953 -6.456 -9.576 1.00 0.00 C ATOM 0 HA THR A 70 -10.780 -6.901 -7.933 1.00 0.00 H new ATOM 0 HB THR A 70 -9.890 -4.522 -9.506 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.932 -5.953 -10.386 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.383 -6.229 -10.477 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.334 -6.269 -8.698 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.254 -7.503 -9.591 1.00 0.00 H new ATOM 1045 N TRP A 71 -9.458 -5.073 -6.568 1.00 0.00 N ATOM 1046 CA TRP A 71 -9.025 -4.149 -5.483 1.00 0.00 C ATOM 1047 C TRP A 71 -7.554 -3.785 -5.679 1.00 0.00 C ATOM 1048 O TRP A 71 -6.842 -4.417 -6.432 1.00 0.00 O ATOM 1049 CB TRP A 71 -9.188 -4.839 -4.126 1.00 0.00 C ATOM 1050 CG TRP A 71 -10.574 -4.628 -3.616 1.00 0.00 C ATOM 1051 CD1 TRP A 71 -11.649 -5.366 -3.968 1.00 0.00 C ATOM 1052 CD2 TRP A 71 -11.053 -3.632 -2.667 1.00 0.00 C ATOM 1053 NE1 TRP A 71 -12.760 -4.887 -3.298 1.00 0.00 N ATOM 1054 CE2 TRP A 71 -12.443 -3.817 -2.483 1.00 0.00 C ATOM 1055 CE3 TRP A 71 -10.422 -2.595 -1.956 1.00 0.00 C ATOM 1056 CZ2 TRP A 71 -13.182 -3.004 -1.623 1.00 0.00 C ATOM 1057 CZ3 TRP A 71 -11.163 -1.774 -1.090 1.00 0.00 C ATOM 1058 CH2 TRP A 71 -12.540 -1.979 -0.924 1.00 0.00 C ATOM 0 H TRP A 71 -8.795 -5.814 -6.798 1.00 0.00 H new ATOM 0 HA TRP A 71 -9.637 -3.248 -5.515 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.985 -5.905 -4.223 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.464 -4.440 -3.415 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.642 -6.195 -4.660 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.698 -5.276 -3.394 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.362 -2.429 -2.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.243 -3.166 -1.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.669 -0.980 -0.549 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -13.104 -1.345 -0.256 1.00 0.00 H new ATOM 1069 N ARG A 72 -7.093 -2.777 -4.994 1.00 0.00 N ATOM 1070 CA ARG A 72 -5.665 -2.376 -5.119 1.00 0.00 C ATOM 1071 C ARG A 72 -5.097 -2.175 -3.715 1.00 0.00 C ATOM 1072 O ARG A 72 -5.783 -1.718 -2.823 1.00 0.00 O ATOM 1073 CB ARG A 72 -5.563 -1.072 -5.910 1.00 0.00 C ATOM 1074 CG ARG A 72 -5.943 -1.328 -7.370 1.00 0.00 C ATOM 1075 CD ARG A 72 -6.059 0.007 -8.108 1.00 0.00 C ATOM 1076 NE ARG A 72 -7.143 -0.079 -9.125 1.00 0.00 N ATOM 1077 CZ ARG A 72 -7.627 1.011 -9.655 1.00 0.00 C ATOM 1078 NH1 ARG A 72 -7.073 1.519 -10.721 1.00 0.00 N ATOM 1079 NH2 ARG A 72 -8.664 1.593 -9.117 1.00 0.00 N ATOM 0 H ARG A 72 -7.646 -2.211 -4.350 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.102 -3.148 -5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.223 -0.320 -5.478 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -4.549 -0.677 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.191 -1.956 -7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.889 -1.868 -7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.273 0.808 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.112 0.251 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.507 -0.989 -9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.262 1.064 -11.140 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.451 2.371 -11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.096 1.196 -8.283 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.043 2.445 -9.531 1.00 0.00 H new ATOM 1093 N GLU A 73 -3.861 -2.525 -3.498 1.00 0.00 N ATOM 1094 CA GLU A 73 -3.286 -2.358 -2.135 1.00 0.00 C ATOM 1095 C GLU A 73 -2.056 -1.448 -2.181 1.00 0.00 C ATOM 1096 O GLU A 73 -1.393 -1.322 -3.195 1.00 0.00 O ATOM 1097 CB GLU A 73 -2.885 -3.728 -1.583 1.00 0.00 C ATOM 1098 CG GLU A 73 -1.682 -4.263 -2.362 1.00 0.00 C ATOM 1099 CD GLU A 73 -1.504 -5.753 -2.067 1.00 0.00 C ATOM 1100 OE1 GLU A 73 -2.156 -6.548 -2.723 1.00 0.00 O ATOM 1101 OE2 GLU A 73 -0.718 -6.074 -1.190 1.00 0.00 O ATOM 0 H GLU A 73 -3.229 -2.916 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.036 -1.902 -1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.639 -3.647 -0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.721 -4.423 -1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.830 -4.108 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.782 -3.716 -2.082 1.00 0.00 H new ATOM 1108 N ALA A 74 -1.744 -0.817 -1.081 1.00 0.00 N ATOM 1109 CA ALA A 74 -0.556 0.082 -1.041 1.00 0.00 C ATOM 1110 C ALA A 74 0.070 0.025 0.355 1.00 0.00 C ATOM 1111 O ALA A 74 -0.610 -0.175 1.342 1.00 0.00 O ATOM 1112 CB ALA A 74 -0.987 1.517 -1.348 1.00 0.00 C ATOM 0 H ALA A 74 -2.263 -0.886 -0.206 1.00 0.00 H new ATOM 0 HA ALA A 74 0.172 -0.242 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.117 2.173 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.438 1.557 -2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.714 1.845 -0.605 1.00 0.00 H new ATOM 1118 N ASP A 75 1.361 0.196 0.449 1.00 0.00 N ATOM 1119 CA ASP A 75 2.022 0.148 1.786 1.00 0.00 C ATOM 1120 C ASP A 75 1.598 1.367 2.607 1.00 0.00 C ATOM 1121 O ASP A 75 1.609 2.483 2.126 1.00 0.00 O ATOM 1122 CB ASP A 75 3.542 0.157 1.606 1.00 0.00 C ATOM 1123 CG ASP A 75 4.080 -1.270 1.737 1.00 0.00 C ATOM 1124 OD1 ASP A 75 3.807 -2.069 0.856 1.00 0.00 O ATOM 1125 OD2 ASP A 75 4.758 -1.539 2.715 1.00 0.00 O ATOM 0 H ASP A 75 1.985 0.366 -0.339 1.00 0.00 H new ATOM 0 HA ASP A 75 1.724 -0.763 2.306 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.801 0.566 0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.004 0.801 2.354 1.00 0.00 H new ATOM 1130 N ILE A 76 1.222 1.167 3.842 1.00 0.00 N ATOM 1131 CA ILE A 76 0.798 2.322 4.682 1.00 0.00 C ATOM 1132 C ILE A 76 1.716 2.436 5.901 1.00 0.00 C ATOM 1133 O ILE A 76 1.759 1.561 6.743 1.00 0.00 O ATOM 1134 CB ILE A 76 -0.645 2.114 5.145 1.00 0.00 C ATOM 1135 CG1 ILE A 76 -1.587 2.242 3.946 1.00 0.00 C ATOM 1136 CG2 ILE A 76 -1.004 3.173 6.188 1.00 0.00 C ATOM 1137 CD1 ILE A 76 -1.535 3.673 3.406 1.00 0.00 C ATOM 0 H ILE A 76 1.190 0.258 4.303 1.00 0.00 H new ATOM 0 HA ILE A 76 0.862 3.239 4.096 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.746 1.122 5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.298 1.537 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.605 1.990 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.032 3.025 6.518 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.333 3.085 7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.903 4.165 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.206 3.764 2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.845 4.368 4.187 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.517 3.908 3.094 1.00 0.00 H new ATOM 1149 N ASN A 77 2.449 3.511 6.002 1.00 0.00 N ATOM 1150 CA ASN A 77 3.364 3.687 7.166 1.00 0.00 C ATOM 1151 C ASN A 77 4.560 2.743 7.027 1.00 0.00 C ATOM 1152 O ASN A 77 4.407 1.545 6.900 1.00 0.00 O ATOM 1153 CB ASN A 77 2.611 3.369 8.460 1.00 0.00 C ATOM 1154 CG ASN A 77 2.558 4.619 9.340 1.00 0.00 C ATOM 1155 OD1 ASN A 77 2.398 5.717 8.847 1.00 0.00 O ATOM 1156 ND2 ASN A 77 2.687 4.497 10.633 1.00 0.00 N ATOM 0 H ASN A 77 2.454 4.276 5.328 1.00 0.00 H new ATOM 0 HA ASN A 77 3.718 4.717 7.195 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.601 3.029 8.231 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.107 2.558 8.992 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.653 5.324 11.229 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.821 3.575 11.047 1.00 0.00 H new ATOM 1163 N TYR A 78 5.752 3.275 7.056 1.00 0.00 N ATOM 1164 CA TYR A 78 6.955 2.415 6.933 1.00 0.00 C ATOM 1165 C TYR A 78 8.206 3.243 7.230 1.00 0.00 C ATOM 1166 O TYR A 78 8.258 4.427 6.958 1.00 0.00 O ATOM 1167 CB TYR A 78 7.040 1.845 5.516 1.00 0.00 C ATOM 1168 CG TYR A 78 8.368 1.148 5.334 1.00 0.00 C ATOM 1169 CD1 TYR A 78 8.710 0.066 6.154 1.00 0.00 C ATOM 1170 CD2 TYR A 78 9.257 1.585 4.344 1.00 0.00 C ATOM 1171 CE1 TYR A 78 9.940 -0.579 5.985 1.00 0.00 C ATOM 1172 CE2 TYR A 78 10.488 0.939 4.175 1.00 0.00 C ATOM 1173 CZ TYR A 78 10.830 -0.143 4.996 1.00 0.00 C ATOM 1174 OH TYR A 78 12.042 -0.780 4.829 1.00 0.00 O ATOM 0 H TYR A 78 5.941 4.272 7.160 1.00 0.00 H new ATOM 0 HA TYR A 78 6.886 1.593 7.646 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.223 1.145 5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.933 2.645 4.783 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.024 -0.271 6.917 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.993 2.420 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.203 -1.414 6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.174 1.275 3.411 1.00 0.00 H new ATOM 0 HH TYR A 78 12.074 -1.576 5.399 1.00 0.00 H new ATOM 1184 N THR A 79 9.215 2.631 7.786 1.00 0.00 N ATOM 1185 CA THR A 79 10.462 3.382 8.101 1.00 0.00 C ATOM 1186 C THR A 79 11.669 2.586 7.620 1.00 0.00 C ATOM 1187 O THR A 79 12.233 2.850 6.577 1.00 0.00 O ATOM 1188 CB THR A 79 10.561 3.594 9.613 1.00 0.00 C ATOM 1189 OG1 THR A 79 9.816 2.586 10.281 1.00 0.00 O ATOM 1190 CG2 THR A 79 10.002 4.970 9.976 1.00 0.00 C ATOM 0 H THR A 79 9.229 1.642 8.036 1.00 0.00 H new ATOM 0 HA THR A 79 10.441 4.349 7.599 1.00 0.00 H new ATOM 0 HB THR A 79 11.605 3.537 9.920 1.00 0.00 H new ATOM 0 HG1 THR A 79 9.880 2.720 11.250 1.00 0.00 H new ATOM 0 HG21 THR A 79 10.073 5.119 11.053 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.576 5.742 9.464 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.958 5.031 9.670 1.00 0.00 H new ATOM 1198 N SER A 80 12.062 1.615 8.380 1.00 0.00 N ATOM 1199 CA SER A 80 13.235 0.782 7.992 1.00 0.00 C ATOM 1200 C SER A 80 13.008 -0.661 8.447 1.00 0.00 C ATOM 1201 O SER A 80 12.066 -0.958 9.155 1.00 0.00 O ATOM 1202 CB SER A 80 14.495 1.334 8.659 1.00 0.00 C ATOM 1203 OG SER A 80 14.674 0.702 9.919 1.00 0.00 O ATOM 0 H SER A 80 11.621 1.355 9.262 1.00 0.00 H new ATOM 0 HA SER A 80 13.356 0.807 6.909 1.00 0.00 H new ATOM 0 HB2 SER A 80 15.363 1.158 8.024 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.409 2.413 8.789 1.00 0.00 H new ATOM 0 HG SER A 80 15.482 1.052 10.349 1.00 0.00 H new ATOM 1209 N GLY A 81 13.864 -1.562 8.046 1.00 0.00 N ATOM 1210 CA GLY A 81 13.695 -2.985 8.456 1.00 0.00 C ATOM 1211 C GLY A 81 12.706 -3.672 7.513 1.00 0.00 C ATOM 1212 O GLY A 81 12.372 -3.156 6.465 1.00 0.00 O ATOM 0 H GLY A 81 14.672 -1.374 7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.656 -3.499 8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.333 -3.038 9.483 1.00 0.00 H new ATOM 1216 N PHE A 82 12.235 -4.833 7.877 1.00 0.00 N ATOM 1217 CA PHE A 82 11.268 -5.551 7.000 1.00 0.00 C ATOM 1218 C PHE A 82 9.990 -4.720 6.864 1.00 0.00 C ATOM 1219 O PHE A 82 9.870 -3.652 7.431 1.00 0.00 O ATOM 1220 CB PHE A 82 10.932 -6.911 7.615 1.00 0.00 C ATOM 1221 CG PHE A 82 11.978 -7.920 7.205 1.00 0.00 C ATOM 1222 CD1 PHE A 82 13.153 -8.054 7.955 1.00 0.00 C ATOM 1223 CD2 PHE A 82 11.775 -8.720 6.075 1.00 0.00 C ATOM 1224 CE1 PHE A 82 14.124 -8.988 7.575 1.00 0.00 C ATOM 1225 CE2 PHE A 82 12.745 -9.654 5.694 1.00 0.00 C ATOM 1226 CZ PHE A 82 13.920 -9.788 6.444 1.00 0.00 C ATOM 0 H PHE A 82 12.478 -5.315 8.743 1.00 0.00 H new ATOM 0 HA PHE A 82 11.711 -5.699 6.015 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.894 -6.832 8.701 1.00 0.00 H new ATOM 0 HB3 PHE A 82 9.946 -7.238 7.285 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.310 -7.436 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.869 -8.617 5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 82 15.030 -9.092 8.154 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.587 -10.271 4.822 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.669 -10.508 6.150 1.00 0.00 H new ATOM 1236 N ARG A 83 9.035 -5.199 6.114 1.00 0.00 N ATOM 1237 CA ARG A 83 7.768 -4.433 5.942 1.00 0.00 C ATOM 1238 C ARG A 83 6.882 -4.622 7.175 1.00 0.00 C ATOM 1239 O ARG A 83 7.095 -5.513 7.974 1.00 0.00 O ATOM 1240 CB ARG A 83 7.029 -4.942 4.703 1.00 0.00 C ATOM 1241 CG ARG A 83 7.665 -4.343 3.447 1.00 0.00 C ATOM 1242 CD ARG A 83 7.470 -5.300 2.269 1.00 0.00 C ATOM 1243 NE ARG A 83 7.826 -6.684 2.691 1.00 0.00 N ATOM 1244 CZ ARG A 83 7.461 -7.703 1.961 1.00 0.00 C ATOM 1245 NH1 ARG A 83 7.844 -7.784 0.716 1.00 0.00 N ATOM 1246 NH2 ARG A 83 6.713 -8.640 2.476 1.00 0.00 N ATOM 0 H ARG A 83 9.077 -6.087 5.613 1.00 0.00 H new ATOM 0 HA ARG A 83 7.999 -3.375 5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.073 -6.030 4.662 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.976 -4.667 4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.213 -3.377 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.728 -4.166 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.436 -5.267 1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.093 -4.992 1.429 1.00 0.00 H new ATOM 0 HE ARG A 83 8.355 -6.835 3.550 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.428 -7.051 0.313 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.559 -8.580 0.145 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.413 -8.576 3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.428 -9.436 1.906 1.00 0.00 H new ATOM 1260 N ASN A 84 5.888 -3.792 7.334 1.00 0.00 N ATOM 1261 CA ASN A 84 4.987 -3.925 8.514 1.00 0.00 C ATOM 1262 C ASN A 84 3.656 -4.536 8.068 1.00 0.00 C ATOM 1263 O ASN A 84 3.528 -5.028 6.964 1.00 0.00 O ATOM 1264 CB ASN A 84 4.738 -2.544 9.127 1.00 0.00 C ATOM 1265 CG ASN A 84 4.668 -1.493 8.018 1.00 0.00 C ATOM 1266 OD1 ASN A 84 3.606 -1.210 7.500 1.00 0.00 O ATOM 1267 ND2 ASN A 84 5.763 -0.899 7.629 1.00 0.00 N ATOM 0 H ASN A 84 5.661 -3.028 6.698 1.00 0.00 H new ATOM 0 HA ASN A 84 5.453 -4.570 9.258 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.808 -2.550 9.695 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.537 -2.296 9.826 1.00 0.00 H new ATOM 0 HD21 ASN A 84 5.727 -0.197 6.890 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.654 -1.137 8.064 1.00 0.00 H new ATOM 1274 N SER A 85 2.665 -4.512 8.916 1.00 0.00 N ATOM 1275 CA SER A 85 1.347 -5.097 8.536 1.00 0.00 C ATOM 1276 C SER A 85 0.352 -3.973 8.237 1.00 0.00 C ATOM 1277 O SER A 85 -0.844 -4.187 8.196 1.00 0.00 O ATOM 1278 CB SER A 85 0.818 -5.952 9.687 1.00 0.00 C ATOM 1279 OG SER A 85 1.837 -6.846 10.116 1.00 0.00 O ATOM 0 H SER A 85 2.710 -4.114 9.854 1.00 0.00 H new ATOM 0 HA SER A 85 1.470 -5.717 7.648 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.505 -5.315 10.514 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.061 -6.511 9.366 1.00 0.00 H new ATOM 0 HG SER A 85 1.501 -7.394 10.855 1.00 0.00 H new ATOM 1285 N ASP A 86 0.833 -2.777 8.027 1.00 0.00 N ATOM 1286 CA ASP A 86 -0.093 -1.647 7.731 1.00 0.00 C ATOM 1287 C ASP A 86 -0.183 -1.439 6.219 1.00 0.00 C ATOM 1288 O ASP A 86 0.814 -1.289 5.539 1.00 0.00 O ATOM 1289 CB ASP A 86 0.426 -0.367 8.385 1.00 0.00 C ATOM 1290 CG ASP A 86 0.310 -0.484 9.906 1.00 0.00 C ATOM 1291 OD1 ASP A 86 0.709 -1.510 10.434 1.00 0.00 O ATOM 1292 OD2 ASP A 86 -0.175 0.453 10.518 1.00 0.00 O ATOM 0 H ASP A 86 1.824 -2.535 8.048 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.080 -1.883 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.465 -0.197 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.145 0.491 8.032 1.00 0.00 H new ATOM 1297 N ARG A 87 -1.373 -1.427 5.689 1.00 0.00 N ATOM 1298 CA ARG A 87 -1.531 -1.229 4.220 1.00 0.00 C ATOM 1299 C ARG A 87 -2.956 -0.765 3.918 1.00 0.00 C ATOM 1300 O ARG A 87 -3.886 -1.093 4.624 1.00 0.00 O ATOM 1301 CB ARG A 87 -1.269 -2.553 3.498 1.00 0.00 C ATOM 1302 CG ARG A 87 0.231 -2.709 3.237 1.00 0.00 C ATOM 1303 CD ARG A 87 0.462 -3.014 1.756 1.00 0.00 C ATOM 1304 NE ARG A 87 1.688 -3.846 1.604 1.00 0.00 N ATOM 1305 CZ ARG A 87 1.916 -4.473 0.482 1.00 0.00 C ATOM 1306 NH1 ARG A 87 2.252 -3.800 -0.584 1.00 0.00 N ATOM 1307 NH2 ARG A 87 1.808 -5.772 0.427 1.00 0.00 N ATOM 0 H ARG A 87 -2.243 -1.546 6.208 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.821 -0.476 3.877 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.632 -3.385 4.101 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.817 -2.579 2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.757 -1.796 3.518 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.636 -3.512 3.852 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.400 -3.539 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.568 -2.085 1.195 1.00 0.00 H new ATOM 0 HE ARG A 87 2.349 -3.926 2.376 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.336 -2.784 -0.540 1.00 0.00 H new ATOM 0 HH12 ARG A 87 2.430 -4.289 -1.461 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.545 -6.298 1.261 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.986 -6.262 -0.450 1.00 0.00 H new ATOM 1321 N ILE A 88 -3.137 -0.010 2.872 1.00 0.00 N ATOM 1322 CA ILE A 88 -4.506 0.462 2.531 1.00 0.00 C ATOM 1323 C ILE A 88 -4.997 -0.275 1.282 1.00 0.00 C ATOM 1324 O ILE A 88 -4.216 -0.770 0.493 1.00 0.00 O ATOM 1325 CB ILE A 88 -4.480 1.968 2.267 1.00 0.00 C ATOM 1326 CG1 ILE A 88 -5.913 2.482 2.113 1.00 0.00 C ATOM 1327 CG2 ILE A 88 -3.698 2.248 0.986 1.00 0.00 C ATOM 1328 CD1 ILE A 88 -6.028 3.869 2.748 1.00 0.00 C ATOM 0 H ILE A 88 -2.399 0.300 2.240 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.181 0.258 3.362 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.999 2.475 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.182 2.530 1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.611 1.793 2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.680 3.322 0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.677 1.881 1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.178 1.741 0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.049 4.236 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.776 3.806 3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.341 4.554 2.252 1.00 0.00 H new ATOM 1340 N LEU A 89 -6.287 -0.356 1.104 1.00 0.00 N ATOM 1341 CA LEU A 89 -6.840 -1.066 -0.086 1.00 0.00 C ATOM 1342 C LEU A 89 -7.794 -0.134 -0.835 1.00 0.00 C ATOM 1343 O LEU A 89 -8.894 0.120 -0.391 1.00 0.00 O ATOM 1344 CB LEU A 89 -7.622 -2.303 0.374 1.00 0.00 C ATOM 1345 CG LEU A 89 -6.662 -3.445 0.716 1.00 0.00 C ATOM 1346 CD1 LEU A 89 -5.668 -3.644 -0.429 1.00 0.00 C ATOM 1347 CD2 LEU A 89 -5.903 -3.111 2.002 1.00 0.00 C ATOM 0 H LEU A 89 -6.985 0.040 1.733 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.020 -1.366 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -8.227 -2.055 1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.309 -2.620 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.233 -4.362 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.986 -4.458 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.210 -3.889 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.099 -2.727 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.220 -3.926 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.335 -2.191 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.612 -2.978 2.819 1.00 0.00 H new ATOM 1359 N TYR A 90 -7.402 0.366 -1.973 1.00 0.00 N ATOM 1360 CA TYR A 90 -8.327 1.260 -2.727 1.00 0.00 C ATOM 1361 C TYR A 90 -8.954 0.472 -3.878 1.00 0.00 C ATOM 1362 O TYR A 90 -8.301 -0.317 -4.533 1.00 0.00 O ATOM 1363 CB TYR A 90 -7.584 2.485 -3.273 1.00 0.00 C ATOM 1364 CG TYR A 90 -6.184 2.113 -3.701 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -5.169 1.972 -2.745 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -5.897 1.922 -5.057 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -3.871 1.637 -3.146 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -4.599 1.589 -5.459 1.00 0.00 C ATOM 1369 CZ TYR A 90 -3.585 1.446 -4.504 1.00 0.00 C ATOM 1370 OH TYR A 90 -2.305 1.117 -4.901 1.00 0.00 O ATOM 0 H TYR A 90 -6.495 0.199 -2.410 1.00 0.00 H new ATOM 0 HA TYR A 90 -9.106 1.614 -2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.130 2.900 -4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.542 3.261 -2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -5.389 2.122 -1.698 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.678 2.032 -5.794 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.090 1.526 -2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.379 1.442 -6.506 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.988 0.350 -4.380 1.00 0.00 H new ATOM 1380 N SER A 91 -10.224 0.664 -4.117 1.00 0.00 N ATOM 1381 CA SER A 91 -10.898 -0.092 -5.214 1.00 0.00 C ATOM 1382 C SER A 91 -11.208 0.838 -6.391 1.00 0.00 C ATOM 1383 O SER A 91 -11.004 2.034 -6.325 1.00 0.00 O ATOM 1384 CB SER A 91 -12.202 -0.693 -4.689 1.00 0.00 C ATOM 1385 OG SER A 91 -12.440 -1.934 -5.339 1.00 0.00 O ATOM 0 H SER A 91 -10.823 1.310 -3.602 1.00 0.00 H new ATOM 0 HA SER A 91 -10.233 -0.885 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 91 -12.140 -0.840 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 91 -13.031 -0.009 -4.871 1.00 0.00 H new ATOM 0 HG SER A 91 -11.622 -2.228 -5.792 1.00 0.00 H new ATOM 1391 N SER A 92 -11.703 0.289 -7.471 1.00 0.00 N ATOM 1392 CA SER A 92 -12.029 1.129 -8.659 1.00 0.00 C ATOM 1393 C SER A 92 -13.162 2.089 -8.311 1.00 0.00 C ATOM 1394 O SER A 92 -13.308 3.139 -8.904 1.00 0.00 O ATOM 1395 CB SER A 92 -12.457 0.231 -9.820 1.00 0.00 C ATOM 1396 OG SER A 92 -13.607 -0.513 -9.438 1.00 0.00 O ATOM 0 H SER A 92 -11.895 -0.707 -7.580 1.00 0.00 H new ATOM 0 HA SER A 92 -11.148 1.700 -8.950 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.676 0.835 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.646 -0.445 -10.091 1.00 0.00 H new ATOM 0 HG SER A 92 -13.886 -1.089 -10.180 1.00 0.00 H new ATOM 1402 N ASP A 93 -13.957 1.738 -7.346 1.00 0.00 N ATOM 1403 CA ASP A 93 -15.075 2.622 -6.941 1.00 0.00 C ATOM 1404 C ASP A 93 -14.581 3.580 -5.857 1.00 0.00 C ATOM 1405 O ASP A 93 -15.355 4.177 -5.136 1.00 0.00 O ATOM 1406 CB ASP A 93 -16.235 1.780 -6.402 1.00 0.00 C ATOM 1407 CG ASP A 93 -15.760 0.957 -5.204 1.00 0.00 C ATOM 1408 OD1 ASP A 93 -14.695 1.254 -4.690 1.00 0.00 O ATOM 1409 OD2 ASP A 93 -16.471 0.042 -4.820 1.00 0.00 O ATOM 0 H ASP A 93 -13.879 0.870 -6.817 1.00 0.00 H new ATOM 0 HA ASP A 93 -15.425 3.190 -7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -17.061 2.427 -6.107 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -16.612 1.120 -7.183 1.00 0.00 H new ATOM 1414 N TRP A 94 -13.289 3.725 -5.746 1.00 0.00 N ATOM 1415 CA TRP A 94 -12.714 4.638 -4.723 1.00 0.00 C ATOM 1416 C TRP A 94 -12.991 4.095 -3.321 1.00 0.00 C ATOM 1417 O TRP A 94 -13.095 4.839 -2.366 1.00 0.00 O ATOM 1418 CB TRP A 94 -13.318 6.034 -4.871 1.00 0.00 C ATOM 1419 CG TRP A 94 -12.411 6.868 -5.717 1.00 0.00 C ATOM 1420 CD1 TRP A 94 -12.817 7.711 -6.694 1.00 0.00 C ATOM 1421 CD2 TRP A 94 -10.955 6.947 -5.686 1.00 0.00 C ATOM 1422 NE1 TRP A 94 -11.705 8.306 -7.261 1.00 0.00 N ATOM 1423 CE2 TRP A 94 -10.533 7.867 -6.675 1.00 0.00 C ATOM 1424 CE3 TRP A 94 -9.969 6.318 -4.903 1.00 0.00 C ATOM 1425 CZ2 TRP A 94 -9.182 8.151 -6.880 1.00 0.00 C ATOM 1426 CZ3 TRP A 94 -8.611 6.601 -5.108 1.00 0.00 C ATOM 1427 CH2 TRP A 94 -8.217 7.515 -6.095 1.00 0.00 C ATOM 0 H TRP A 94 -12.602 3.244 -6.327 1.00 0.00 H new ATOM 0 HA TRP A 94 -11.636 4.700 -4.871 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -14.306 5.971 -5.327 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -13.448 6.494 -3.891 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -13.842 7.890 -6.984 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -11.745 8.986 -8.020 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.260 5.612 -4.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.884 8.858 -7.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.864 6.111 -4.501 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.169 7.727 -6.248 1.00 0.00 H new ATOM 1438 N LEU A 95 -13.088 2.802 -3.186 1.00 0.00 N ATOM 1439 CA LEU A 95 -13.331 2.215 -1.841 1.00 0.00 C ATOM 1440 C LEU A 95 -11.990 2.125 -1.114 1.00 0.00 C ATOM 1441 O LEU A 95 -11.112 1.386 -1.514 1.00 0.00 O ATOM 1442 CB LEU A 95 -13.930 0.812 -1.989 1.00 0.00 C ATOM 1443 CG LEU A 95 -15.458 0.892 -1.955 1.00 0.00 C ATOM 1444 CD1 LEU A 95 -16.042 -0.522 -1.940 1.00 0.00 C ATOM 1445 CD2 LEU A 95 -15.906 1.638 -0.696 1.00 0.00 C ATOM 0 H LEU A 95 -13.010 2.128 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.028 2.836 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -13.601 0.364 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.573 0.168 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.811 1.425 -2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.130 -0.466 -1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -15.726 -1.056 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.686 -1.053 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.994 1.694 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -15.552 1.106 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -15.491 2.646 -0.703 1.00 0.00 H new ATOM 1457 N ILE A 96 -11.813 2.884 -0.066 1.00 0.00 N ATOM 1458 CA ILE A 96 -10.513 2.847 0.661 1.00 0.00 C ATOM 1459 C ILE A 96 -10.683 2.168 2.022 1.00 0.00 C ATOM 1460 O ILE A 96 -11.361 2.666 2.902 1.00 0.00 O ATOM 1461 CB ILE A 96 -10.001 4.274 0.864 1.00 0.00 C ATOM 1462 CG1 ILE A 96 -10.365 5.127 -0.355 1.00 0.00 C ATOM 1463 CG2 ILE A 96 -8.481 4.250 1.030 1.00 0.00 C ATOM 1464 CD1 ILE A 96 -9.614 6.459 -0.290 1.00 0.00 C ATOM 0 H ILE A 96 -12.509 3.525 0.316 1.00 0.00 H new ATOM 0 HA ILE A 96 -9.795 2.278 0.070 1.00 0.00 H new ATOM 0 HB ILE A 96 -10.460 4.700 1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -10.108 4.597 -1.272 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -11.440 5.305 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.115 5.266 1.175 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.219 3.643 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.024 3.823 0.137 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -9.873 7.066 -1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.893 6.990 0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.540 6.271 -0.286 1.00 0.00 H new ATOM 1476 N TYR A 97 -10.053 1.039 2.200 1.00 0.00 N ATOM 1477 CA TYR A 97 -10.145 0.314 3.497 1.00 0.00 C ATOM 1478 C TYR A 97 -8.736 0.156 4.066 1.00 0.00 C ATOM 1479 O TYR A 97 -7.882 -0.459 3.463 1.00 0.00 O ATOM 1480 CB TYR A 97 -10.754 -1.069 3.267 1.00 0.00 C ATOM 1481 CG TYR A 97 -12.246 -0.944 3.082 1.00 0.00 C ATOM 1482 CD1 TYR A 97 -12.761 -0.357 1.920 1.00 0.00 C ATOM 1483 CD2 TYR A 97 -13.113 -1.420 4.070 1.00 0.00 C ATOM 1484 CE1 TYR A 97 -14.145 -0.246 1.747 1.00 0.00 C ATOM 1485 CE2 TYR A 97 -14.498 -1.310 3.898 1.00 0.00 C ATOM 1486 CZ TYR A 97 -15.014 -0.722 2.736 1.00 0.00 C ATOM 1487 OH TYR A 97 -16.379 -0.613 2.566 1.00 0.00 O ATOM 0 H TYR A 97 -9.473 0.584 1.495 1.00 0.00 H new ATOM 0 HA TYR A 97 -10.772 0.872 4.192 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.306 -1.532 2.388 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -10.536 -1.718 4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -12.090 0.010 1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.714 -1.873 4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -14.543 0.207 0.851 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -15.168 -1.678 4.661 1.00 0.00 H new ATOM 0 HH TYR A 97 -16.837 -0.993 3.345 1.00 0.00 H new ATOM 1497 N LYS A 98 -8.478 0.709 5.215 1.00 0.00 N ATOM 1498 CA LYS A 98 -7.110 0.592 5.798 1.00 0.00 C ATOM 1499 C LYS A 98 -6.629 -0.516 6.680 1.00 0.00 C ATOM 1500 O LYS A 98 -7.336 -0.702 7.650 1.00 0.00 O ATOM 1501 CB LYS A 98 -6.820 1.821 6.660 1.00 0.00 C ATOM 1502 CG LYS A 98 -7.785 2.181 7.547 1.00 0.00 C ATOM 1503 CD LYS A 98 -7.252 2.522 8.939 1.00 0.00 C ATOM 1504 CE LYS A 98 -6.909 4.011 9.006 1.00 0.00 C ATOM 1505 NZ LYS A 98 -8.000 4.742 9.710 1.00 0.00 N ATOM 0 H LYS A 98 -9.149 1.235 5.775 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.605 0.416 4.848 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.898 1.640 7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.633 2.666 5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.323 3.044 7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.506 1.368 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.997 2.276 9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.367 1.924 9.157 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -5.964 4.154 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -6.779 4.411 8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.844 5.767 9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.916 4.494 9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.003 4.477 10.716 1.00 0.00 H new ATOM 1519 N THR A 99 -5.661 -1.340 6.377 1.00 0.00 N ATOM 1520 CA THR A 99 -5.406 -2.536 7.228 1.00 0.00 C ATOM 1521 C THR A 99 -4.105 -2.326 8.006 1.00 0.00 C ATOM 1522 O THR A 99 -3.091 -1.953 7.448 1.00 0.00 O ATOM 1523 CB THR A 99 -5.274 -3.786 6.352 1.00 0.00 C ATOM 1524 OG1 THR A 99 -4.593 -4.799 7.078 1.00 0.00 O ATOM 1525 CG2 THR A 99 -4.487 -3.448 5.086 1.00 0.00 C ATOM 0 H THR A 99 -5.037 -1.235 5.577 1.00 0.00 H new ATOM 0 HA THR A 99 -6.239 -2.671 7.918 1.00 0.00 H new ATOM 0 HB THR A 99 -6.267 -4.140 6.074 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.091 -5.006 7.896 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.395 -4.340 4.466 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.010 -2.671 4.529 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.494 -3.092 5.359 1.00 0.00 H new ATOM 1533 N THR A 100 -4.125 -2.558 9.290 1.00 0.00 N ATOM 1534 CA THR A 100 -2.889 -2.367 10.100 1.00 0.00 C ATOM 1535 C THR A 100 -2.431 -3.714 10.663 1.00 0.00 C ATOM 1536 O THR A 100 -1.659 -3.774 11.599 1.00 0.00 O ATOM 1537 CB THR A 100 -3.181 -1.403 11.253 1.00 0.00 C ATOM 1538 OG1 THR A 100 -4.487 -1.651 11.756 1.00 0.00 O ATOM 1539 CG2 THR A 100 -3.092 0.039 10.750 1.00 0.00 C ATOM 0 H THR A 100 -4.943 -2.871 9.813 1.00 0.00 H new ATOM 0 HA THR A 100 -2.102 -1.953 9.470 1.00 0.00 H new ATOM 0 HB THR A 100 -2.450 -1.554 12.047 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.675 -1.036 12.495 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.300 0.724 11.572 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.090 0.229 10.364 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.822 0.193 9.955 1.00 0.00 H new ATOM 1547 N ASP A 101 -2.899 -4.795 10.102 1.00 0.00 N ATOM 1548 CA ASP A 101 -2.485 -6.133 10.609 1.00 0.00 C ATOM 1549 C ASP A 101 -2.241 -7.078 9.430 1.00 0.00 C ATOM 1550 O ASP A 101 -2.311 -8.283 9.565 1.00 0.00 O ATOM 1551 CB ASP A 101 -3.586 -6.707 11.503 1.00 0.00 C ATOM 1552 CG ASP A 101 -4.953 -6.245 10.996 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.148 -6.246 9.793 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -5.782 -5.898 11.822 1.00 0.00 O ATOM 0 H ASP A 101 -3.549 -4.809 9.316 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.566 -6.030 11.186 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -3.537 -7.796 11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.439 -6.380 12.532 1.00 0.00 H new ATOM 1559 N HIS A 102 -1.954 -6.539 8.274 1.00 0.00 N ATOM 1560 CA HIS A 102 -1.702 -7.406 7.086 1.00 0.00 C ATOM 1561 C HIS A 102 -3.034 -7.899 6.520 1.00 0.00 C ATOM 1562 O HIS A 102 -3.373 -9.062 6.623 1.00 0.00 O ATOM 1563 CB HIS A 102 -0.844 -8.606 7.496 1.00 0.00 C ATOM 1564 CG HIS A 102 0.090 -8.963 6.373 1.00 0.00 C ATOM 1565 ND1 HIS A 102 0.290 -10.273 5.966 1.00 0.00 N ATOM 1566 CD2 HIS A 102 0.887 -8.194 5.562 1.00 0.00 C ATOM 1567 CE1 HIS A 102 1.175 -10.252 4.954 1.00 0.00 C ATOM 1568 NE2 HIS A 102 1.572 -9.010 4.667 1.00 0.00 N ATOM 0 H HIS A 102 -1.883 -5.536 8.102 1.00 0.00 H new ATOM 0 HA HIS A 102 -1.176 -6.830 6.325 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -0.275 -8.369 8.395 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -1.481 -9.457 7.737 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.970 -7.118 5.611 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.523 -11.133 4.436 1.00 0.00 H new ATOM 0 HE2 HIS A 102 2.234 -8.722 3.947 1.00 0.00 H new ATOM 1576 N TYR A 103 -3.790 -7.023 5.921 1.00 0.00 N ATOM 1577 CA TYR A 103 -5.101 -7.435 5.343 1.00 0.00 C ATOM 1578 C TYR A 103 -5.908 -8.211 6.388 1.00 0.00 C ATOM 1579 O TYR A 103 -6.816 -8.948 6.061 1.00 0.00 O ATOM 1580 CB TYR A 103 -4.862 -8.318 4.118 1.00 0.00 C ATOM 1581 CG TYR A 103 -3.765 -7.716 3.272 1.00 0.00 C ATOM 1582 CD1 TYR A 103 -3.915 -6.428 2.745 1.00 0.00 C ATOM 1583 CD2 TYR A 103 -2.598 -8.445 3.015 1.00 0.00 C ATOM 1584 CE1 TYR A 103 -2.899 -5.868 1.961 1.00 0.00 C ATOM 1585 CE2 TYR A 103 -1.581 -7.886 2.232 1.00 0.00 C ATOM 1586 CZ TYR A 103 -1.732 -6.598 1.705 1.00 0.00 C ATOM 1587 OH TYR A 103 -0.729 -6.046 0.932 1.00 0.00 O ATOM 0 H TYR A 103 -3.557 -6.037 5.806 1.00 0.00 H new ATOM 0 HA TYR A 103 -5.660 -6.547 5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.585 -9.325 4.430 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.779 -8.406 3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -4.815 -5.866 2.943 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -2.482 -9.439 3.421 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -3.015 -4.874 1.554 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.680 -8.448 2.035 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.974 -6.107 -0.015 1.00 0.00 H new ATOM 1597 N GLN A 104 -5.592 -8.046 7.644 1.00 0.00 N ATOM 1598 CA GLN A 104 -6.352 -8.768 8.704 1.00 0.00 C ATOM 1599 C GLN A 104 -7.492 -7.877 9.196 1.00 0.00 C ATOM 1600 O GLN A 104 -8.416 -8.324 9.845 1.00 0.00 O ATOM 1601 CB GLN A 104 -5.419 -9.099 9.869 1.00 0.00 C ATOM 1602 CG GLN A 104 -4.840 -10.501 9.676 1.00 0.00 C ATOM 1603 CD GLN A 104 -4.683 -11.182 11.037 1.00 0.00 C ATOM 1604 OE1 GLN A 104 -5.473 -12.031 11.399 1.00 0.00 O ATOM 1605 NE2 GLN A 104 -3.690 -10.842 11.812 1.00 0.00 N ATOM 0 H GLN A 104 -4.841 -7.443 7.981 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.759 -9.694 8.298 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.614 -8.366 9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.964 -9.045 10.812 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -5.496 -11.091 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.874 -10.441 9.174 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -3.027 -10.129 11.508 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.577 -11.289 12.722 1.00 0.00 H new ATOM 1614 N THR A 105 -7.428 -6.617 8.878 1.00 0.00 N ATOM 1615 CA THR A 105 -8.496 -5.672 9.302 1.00 0.00 C ATOM 1616 C THR A 105 -8.621 -4.578 8.244 1.00 0.00 C ATOM 1617 O THR A 105 -7.648 -4.181 7.638 1.00 0.00 O ATOM 1618 CB THR A 105 -8.124 -5.045 10.649 1.00 0.00 C ATOM 1619 OG1 THR A 105 -9.248 -4.351 11.173 1.00 0.00 O ATOM 1620 CG2 THR A 105 -6.965 -4.067 10.456 1.00 0.00 C ATOM 0 H THR A 105 -6.673 -6.196 8.336 1.00 0.00 H new ATOM 0 HA THR A 105 -9.443 -6.201 9.408 1.00 0.00 H new ATOM 0 HB THR A 105 -7.823 -5.829 11.344 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.012 -3.951 12.036 1.00 0.00 H new ATOM 0 HG21 THR A 105 -6.701 -3.622 11.415 1.00 0.00 H new ATOM 0 HG22 THR A 105 -6.103 -4.599 10.054 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.263 -3.282 9.761 1.00 0.00 H new ATOM 1628 N PHE A 106 -9.805 -4.090 8.003 1.00 0.00 N ATOM 1629 CA PHE A 106 -9.962 -3.031 6.968 1.00 0.00 C ATOM 1630 C PHE A 106 -10.885 -1.926 7.481 1.00 0.00 C ATOM 1631 O PHE A 106 -12.072 -2.120 7.647 1.00 0.00 O ATOM 1632 CB PHE A 106 -10.559 -3.644 5.702 1.00 0.00 C ATOM 1633 CG PHE A 106 -9.724 -4.827 5.279 1.00 0.00 C ATOM 1634 CD1 PHE A 106 -10.008 -6.101 5.785 1.00 0.00 C ATOM 1635 CD2 PHE A 106 -8.666 -4.651 4.380 1.00 0.00 C ATOM 1636 CE1 PHE A 106 -9.234 -7.199 5.392 1.00 0.00 C ATOM 1637 CE2 PHE A 106 -7.891 -5.749 3.986 1.00 0.00 C ATOM 1638 CZ PHE A 106 -8.176 -7.024 4.493 1.00 0.00 C ATOM 0 H PHE A 106 -10.664 -4.375 8.473 1.00 0.00 H new ATOM 0 HA PHE A 106 -8.985 -2.603 6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -11.587 -3.957 5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.589 -2.902 4.904 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.825 -6.237 6.479 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -8.447 -3.668 3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -9.453 -8.182 5.783 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -7.075 -5.613 3.292 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.579 -7.872 4.190 1.00 0.00 H new ATOM 1648 N THR A 107 -10.346 -0.763 7.721 1.00 0.00 N ATOM 1649 CA THR A 107 -11.189 0.361 8.209 1.00 0.00 C ATOM 1650 C THR A 107 -11.555 1.257 7.024 1.00 0.00 C ATOM 1651 O THR A 107 -10.709 1.636 6.238 1.00 0.00 O ATOM 1652 CB THR A 107 -10.412 1.175 9.247 1.00 0.00 C ATOM 1653 OG1 THR A 107 -9.619 0.298 10.035 1.00 0.00 O ATOM 1654 CG2 THR A 107 -11.392 1.928 10.146 1.00 0.00 C ATOM 0 H THR A 107 -9.357 -0.543 7.600 1.00 0.00 H new ATOM 0 HA THR A 107 -12.095 -0.031 8.670 1.00 0.00 H new ATOM 0 HB THR A 107 -9.767 1.892 8.739 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.245 0.790 10.796 1.00 0.00 H new ATOM 0 HG21 THR A 107 -10.837 2.507 10.884 1.00 0.00 H new ATOM 0 HG22 THR A 107 -11.999 2.600 9.540 1.00 0.00 H new ATOM 0 HG23 THR A 107 -12.039 1.215 10.656 1.00 0.00 H new ATOM 1662 N LYS A 108 -12.808 1.592 6.885 1.00 0.00 N ATOM 1663 CA LYS A 108 -13.225 2.457 5.745 1.00 0.00 C ATOM 1664 C LYS A 108 -12.911 3.919 6.070 1.00 0.00 C ATOM 1665 O LYS A 108 -13.373 4.460 7.054 1.00 0.00 O ATOM 1666 CB LYS A 108 -14.728 2.299 5.510 1.00 0.00 C ATOM 1667 CG LYS A 108 -15.205 3.361 4.517 1.00 0.00 C ATOM 1668 CD LYS A 108 -16.729 3.303 4.401 1.00 0.00 C ATOM 1669 CE LYS A 108 -17.186 4.178 3.232 1.00 0.00 C ATOM 1670 NZ LYS A 108 -18.666 4.076 3.084 1.00 0.00 N ATOM 0 H LYS A 108 -13.561 1.305 7.511 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.682 2.161 4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.944 1.303 5.124 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.267 2.399 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.892 4.351 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.749 3.193 3.541 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.054 2.274 4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.188 3.647 5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.898 5.215 3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.695 3.860 2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.977 4.671 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -18.929 3.087 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.126 4.399 3.959 1.00 0.00 H new ATOM 1684 N ILE A 109 -12.130 4.564 5.247 1.00 0.00 N ATOM 1685 CA ILE A 109 -11.792 5.991 5.510 1.00 0.00 C ATOM 1686 C ILE A 109 -12.275 6.853 4.343 1.00 0.00 C ATOM 1687 O ILE A 109 -11.874 7.989 4.190 1.00 0.00 O ATOM 1688 CB ILE A 109 -10.277 6.137 5.663 1.00 0.00 C ATOM 1689 CG1 ILE A 109 -9.583 5.570 4.423 1.00 0.00 C ATOM 1690 CG2 ILE A 109 -9.812 5.369 6.902 1.00 0.00 C ATOM 1691 CD1 ILE A 109 -8.069 5.568 4.641 1.00 0.00 C ATOM 0 H ILE A 109 -11.712 4.166 4.406 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.281 6.317 6.428 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.023 7.191 5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -9.934 4.557 4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -9.834 6.168 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.732 5.473 7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -10.306 5.771 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.066 4.315 6.793 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.575 5.164 3.758 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.725 6.588 4.815 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.827 4.951 5.506 1.00 0.00 H new ATOM 1703 N ARG A 110 -13.136 6.322 3.519 1.00 0.00 N ATOM 1704 CA ARG A 110 -13.646 7.110 2.362 1.00 0.00 C ATOM 1705 C ARG A 110 -14.759 6.328 1.663 1.00 0.00 C ATOM 1706 O ARG A 110 -14.662 5.112 1.618 1.00 0.00 O ATOM 1707 CB ARG A 110 -12.505 7.367 1.376 1.00 0.00 C ATOM 1708 CG ARG A 110 -12.262 8.873 1.259 1.00 0.00 C ATOM 1709 CD ARG A 110 -10.784 9.173 1.514 1.00 0.00 C ATOM 1710 NE ARG A 110 -10.662 10.427 2.310 1.00 0.00 N ATOM 1711 CZ ARG A 110 -9.534 10.721 2.897 1.00 0.00 C ATOM 1712 NH1 ARG A 110 -8.994 9.875 3.731 1.00 0.00 N ATOM 1713 NH2 ARG A 110 -8.947 11.860 2.650 1.00 0.00 N ATOM 1714 OXT ARG A 110 -15.689 6.957 1.186 1.00 0.00 O ATOM 0 H ARG A 110 -13.509 5.376 3.597 1.00 0.00 H new ATOM 0 HA ARG A 110 -14.040 8.062 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.598 6.867 1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -12.753 6.951 0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -12.549 9.222 0.267 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.882 9.409 1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.321 8.344 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -10.254 9.278 0.567 1.00 0.00 H new ATOM 0 HE ARG A 110 -11.460 11.056 2.396 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -9.453 8.985 3.924 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.112 10.104 4.190 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.370 12.521 1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.065 12.090 3.109 1.00 0.00 H new