USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 36:sc= -0.356 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -160:sc= 0.206 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0578 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0748 USER MOD Single : A 38 SER OG : rot 64:sc= 0.587 USER MOD Single : A 39 HIS : no HD1:sc= -0.625 K(o=-0.62,f=-1.5) USER MOD Single : A 40 MET CE :methyl -175:sc= 0 (180deg=-0.0609) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0241 F(o=-0.81,f=-0.024) USER MOD Single : A 45 SER OG : rot 89:sc= 1.16 USER MOD Single : A 49 HIS :FLIP no HD1:sc= -0.0154 F(o=-0.85,f=-0.015) USER MOD Single : A 50 TYR OH : rot 166:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -138:sc= -2.91! (180deg=-4.63!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.122 K(o=-0.12,f=-3.2!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= -1.01 (180deg=-3.01!) USER MOD Single : A 64 ASN : amide:sc= -0.803 K(o=-0.8,f=-2.8!) USER MOD Single : A 74 LYS NZ :NH3+ -179:sc= 0.186 (180deg=0.185) USER MOD Single : A 75 LYS NZ :NH3+ 175:sc= 0.633 (180deg=0.574) USER MOD Single : A 79 LYS NZ :NH3+ -119:sc= 0.115 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -10.976 4.557 6.758 1.00 0.00 N ATOM 21 CA PRO A 2 -11.045 6.007 6.487 1.00 0.00 C ATOM 22 C PRO A 2 -9.747 6.501 5.821 1.00 0.00 C ATOM 23 O PRO A 2 -9.349 7.650 5.998 1.00 0.00 O ATOM 24 CB PRO A 2 -11.211 6.558 7.919 1.00 0.00 C ATOM 25 CG PRO A 2 -10.313 5.676 8.754 1.00 0.00 C ATOM 26 CD PRO A 2 -10.290 4.309 8.060 1.00 0.00 C ATOM 0 HA PRO A 2 -11.835 6.314 5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.913 7.605 7.981 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.248 6.501 8.251 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.309 6.095 8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.691 5.589 9.773 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.270 3.952 7.913 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.810 3.553 8.648 1.00 0.00 H new ATOM 34 N THR A 3 -9.145 5.616 5.009 1.00 0.00 N ATOM 35 CA THR A 3 -7.740 5.707 4.600 1.00 0.00 C ATOM 36 C THR A 3 -7.443 7.000 3.807 1.00 0.00 C ATOM 37 O THR A 3 -6.538 7.734 4.179 1.00 0.00 O ATOM 38 CB THR A 3 -7.311 4.447 3.775 1.00 0.00 C ATOM 39 OG1 THR A 3 -7.885 3.262 4.358 1.00 0.00 O ATOM 40 CG2 THR A 3 -5.776 4.291 3.726 1.00 0.00 C ATOM 0 H THR A 3 -9.629 4.809 4.615 1.00 0.00 H new ATOM 0 HA THR A 3 -7.148 5.743 5.515 1.00 0.00 H new ATOM 0 HB THR A 3 -7.675 4.582 2.757 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.615 2.477 3.837 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.519 3.406 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.335 5.172 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.389 4.185 4.739 1.00 0.00 H new ATOM 48 N LEU A 4 -8.258 7.292 2.767 1.00 0.00 N ATOM 49 CA LEU A 4 -8.065 8.470 1.881 1.00 0.00 C ATOM 50 C LEU A 4 -8.059 9.786 2.684 1.00 0.00 C ATOM 51 O LEU A 4 -7.110 10.572 2.590 1.00 0.00 O ATOM 52 CB LEU A 4 -9.184 8.538 0.806 1.00 0.00 C ATOM 53 CG LEU A 4 -9.214 7.389 -0.251 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.465 7.503 -1.140 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.930 7.389 -1.115 1.00 0.00 C ATOM 0 H LEU A 4 -9.066 6.722 2.517 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.097 8.350 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.146 8.554 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.089 9.485 0.276 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.256 6.441 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.468 6.694 -1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.359 7.436 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.456 8.461 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.980 6.578 -1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.844 8.341 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.060 7.248 -0.474 1.00 0.00 H new ATOM 67 N ASP A 5 -9.115 9.990 3.493 1.00 0.00 N ATOM 68 CA ASP A 5 -9.309 11.241 4.254 1.00 0.00 C ATOM 69 C ASP A 5 -8.323 11.349 5.434 1.00 0.00 C ATOM 70 O ASP A 5 -7.959 12.457 5.835 1.00 0.00 O ATOM 71 CB ASP A 5 -10.780 11.392 4.725 1.00 0.00 C ATOM 72 CG ASP A 5 -11.256 10.277 5.670 1.00 0.00 C ATOM 73 OD1 ASP A 5 -11.116 10.418 6.904 1.00 0.00 O ATOM 74 OD2 ASP A 5 -11.786 9.256 5.180 1.00 0.00 O ATOM 0 H ASP A 5 -9.852 9.300 3.638 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.093 12.069 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.892 12.352 5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.430 11.413 3.850 1.00 0.00 H new ATOM 79 N ALA A 6 -7.900 10.195 5.988 1.00 0.00 N ATOM 80 CA ALA A 6 -6.859 10.133 7.040 1.00 0.00 C ATOM 81 C ALA A 6 -5.475 10.489 6.466 1.00 0.00 C ATOM 82 O ALA A 6 -4.631 11.075 7.159 1.00 0.00 O ATOM 83 CB ALA A 6 -6.830 8.735 7.683 1.00 0.00 C ATOM 0 H ALA A 6 -8.267 9.281 5.722 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.107 10.866 7.808 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.060 8.705 8.454 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.800 8.520 8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.609 7.988 6.920 1.00 0.00 H new ATOM 89 N LEU A 7 -5.257 10.114 5.190 1.00 0.00 N ATOM 90 CA LEU A 7 -4.040 10.455 4.440 1.00 0.00 C ATOM 91 C LEU A 7 -4.048 11.955 4.067 1.00 0.00 C ATOM 92 O LEU A 7 -2.991 12.554 3.967 1.00 0.00 O ATOM 93 CB LEU A 7 -3.917 9.583 3.148 1.00 0.00 C ATOM 94 CG LEU A 7 -3.604 8.060 3.325 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.681 7.311 1.969 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.233 7.850 3.999 1.00 0.00 C ATOM 0 H LEU A 7 -5.926 9.563 4.651 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.179 10.249 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.851 9.671 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.135 10.016 2.525 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.366 7.638 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.459 6.255 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.683 7.414 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.955 7.737 1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.042 6.783 4.109 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.453 8.297 3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.235 8.322 4.982 1.00 0.00 H new ATOM 108 N THR A 8 -5.252 12.558 3.896 1.00 0.00 N ATOM 109 CA THR A 8 -5.390 13.948 3.378 1.00 0.00 C ATOM 110 C THR A 8 -4.569 15.015 4.186 1.00 0.00 C ATOM 111 O THR A 8 -3.854 15.788 3.554 1.00 0.00 O ATOM 112 CB THR A 8 -6.891 14.375 3.241 1.00 0.00 C ATOM 113 OG1 THR A 8 -7.607 13.396 2.470 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.048 15.742 2.558 1.00 0.00 C ATOM 0 H THR A 8 -6.141 12.106 4.108 1.00 0.00 H new ATOM 0 HA THR A 8 -4.949 13.923 2.381 1.00 0.00 H new ATOM 0 HB THR A 8 -7.295 14.447 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.263 12.502 2.676 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.106 15.994 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.533 16.503 3.144 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.616 15.701 1.558 1.00 0.00 H new ATOM 122 N PRO A 9 -4.621 15.071 5.578 1.00 0.00 N ATOM 123 CA PRO A 9 -3.776 16.010 6.374 1.00 0.00 C ATOM 124 C PRO A 9 -2.256 15.755 6.217 1.00 0.00 C ATOM 125 O PRO A 9 -1.463 16.685 6.377 1.00 0.00 O ATOM 126 CB PRO A 9 -4.245 15.784 7.843 1.00 0.00 C ATOM 127 CG PRO A 9 -4.869 14.426 7.834 1.00 0.00 C ATOM 128 CD PRO A 9 -5.516 14.291 6.476 1.00 0.00 C ATOM 0 HA PRO A 9 -3.901 17.039 6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.407 15.831 8.538 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.959 16.547 8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.121 13.649 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.605 14.327 8.632 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.583 13.248 6.167 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.530 14.690 6.475 1.00 0.00 H new ATOM 136 N ILE A 10 -1.867 14.501 5.893 1.00 0.00 N ATOM 137 CA ILE A 10 -0.447 14.137 5.642 1.00 0.00 C ATOM 138 C ILE A 10 0.044 14.843 4.364 1.00 0.00 C ATOM 139 O ILE A 10 1.087 15.504 4.352 1.00 0.00 O ATOM 140 CB ILE A 10 -0.248 12.576 5.461 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.878 11.762 6.643 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.248 12.211 5.242 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.287 12.037 8.014 1.00 0.00 C ATOM 0 H ILE A 10 -2.516 13.720 5.798 1.00 0.00 H new ATOM 0 HA ILE A 10 0.126 14.454 6.513 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.787 12.289 4.558 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.947 11.974 6.678 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.771 10.699 6.427 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.345 11.132 5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.617 12.711 4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.831 12.534 6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.794 11.423 8.758 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.776 11.796 8.007 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.418 13.090 8.262 1.00 0.00 H new ATOM 155 N PHE A 11 -0.774 14.715 3.304 1.00 0.00 N ATOM 156 CA PHE A 11 -0.471 15.229 1.957 1.00 0.00 C ATOM 157 C PHE A 11 -0.529 16.770 1.947 1.00 0.00 C ATOM 158 O PHE A 11 0.352 17.430 1.393 1.00 0.00 O ATOM 159 CB PHE A 11 -1.460 14.598 0.919 1.00 0.00 C ATOM 160 CG PHE A 11 -1.244 13.089 0.650 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.161 12.163 1.692 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.099 12.602 -0.645 1.00 0.00 C ATOM 163 CE1 PHE A 11 -0.952 10.818 1.450 1.00 0.00 C ATOM 164 CE2 PHE A 11 -0.888 11.252 -0.886 1.00 0.00 C ATOM 165 CZ PHE A 11 -0.814 10.363 0.160 1.00 0.00 C ATOM 0 H PHE A 11 -1.677 14.245 3.360 1.00 0.00 H new ATOM 0 HA PHE A 11 0.542 14.942 1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.480 14.747 1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.368 15.137 -0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.262 12.506 2.711 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.152 13.287 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.897 10.124 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.781 10.898 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.648 9.313 -0.031 1.00 0.00 H new ATOM 175 N ARG A 12 -1.551 17.325 2.624 1.00 0.00 N ATOM 176 CA ARG A 12 -1.711 18.782 2.818 1.00 0.00 C ATOM 177 C ARG A 12 -0.493 19.385 3.539 1.00 0.00 C ATOM 178 O ARG A 12 -0.010 20.452 3.146 1.00 0.00 O ATOM 179 CB ARG A 12 -3.004 19.086 3.621 1.00 0.00 C ATOM 180 CG ARG A 12 -4.315 18.903 2.831 1.00 0.00 C ATOM 181 CD ARG A 12 -5.558 19.248 3.675 1.00 0.00 C ATOM 182 NE ARG A 12 -6.791 19.210 2.874 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.032 19.117 3.364 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.251 18.998 4.665 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.049 19.110 2.532 1.00 0.00 N ATOM 0 H ARG A 12 -2.294 16.775 3.055 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.788 19.241 1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.031 18.438 4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.956 20.112 3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.294 19.536 1.944 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.388 17.872 2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.641 18.545 4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.438 20.240 4.110 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.691 19.259 1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.465 18.976 5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.206 18.929 5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.886 19.175 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.001 19.040 2.891 1.00 0.00 H new ATOM 199 N GLN A 13 -0.003 18.670 4.576 1.00 0.00 N ATOM 200 CA GLN A 13 1.164 19.089 5.382 1.00 0.00 C ATOM 201 C GLN A 13 2.410 19.248 4.486 1.00 0.00 C ATOM 202 O GLN A 13 3.080 20.291 4.526 1.00 0.00 O ATOM 203 CB GLN A 13 1.430 18.047 6.515 1.00 0.00 C ATOM 204 CG GLN A 13 2.612 18.366 7.462 1.00 0.00 C ATOM 205 CD GLN A 13 2.422 19.653 8.275 1.00 0.00 C ATOM 206 OE1 GLN A 13 2.817 20.742 7.850 1.00 0.00 O ATOM 207 NE2 GLN A 13 1.789 19.538 9.434 1.00 0.00 N ATOM 0 H GLN A 13 -0.407 17.784 4.878 1.00 0.00 H new ATOM 0 HA GLN A 13 0.949 20.055 5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.525 17.952 7.115 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.611 17.076 6.054 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.752 17.531 8.148 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.525 18.451 6.873 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.476 18.622 9.755 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.615 20.366 10.004 1.00 0.00 H new ATOM 216 N VAL A 14 2.663 18.213 3.655 1.00 0.00 N ATOM 217 CA VAL A 14 3.795 18.168 2.706 1.00 0.00 C ATOM 218 C VAL A 14 3.812 19.391 1.765 1.00 0.00 C ATOM 219 O VAL A 14 4.821 20.083 1.660 1.00 0.00 O ATOM 220 CB VAL A 14 3.762 16.846 1.844 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.816 16.869 0.697 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.939 15.599 2.749 1.00 0.00 C ATOM 0 H VAL A 14 2.080 17.377 3.625 1.00 0.00 H new ATOM 0 HA VAL A 14 4.704 18.185 3.308 1.00 0.00 H new ATOM 0 HB VAL A 14 2.783 16.788 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.757 15.940 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.615 17.711 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.814 16.972 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.913 14.698 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.896 15.658 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.132 15.563 3.481 1.00 0.00 H new ATOM 232 N PHE A 15 2.680 19.649 1.099 1.00 0.00 N ATOM 233 CA PHE A 15 2.589 20.680 0.035 1.00 0.00 C ATOM 234 C PHE A 15 2.193 22.060 0.588 1.00 0.00 C ATOM 235 O PHE A 15 2.065 23.009 -0.192 1.00 0.00 O ATOM 236 CB PHE A 15 1.592 20.207 -1.065 1.00 0.00 C ATOM 237 CG PHE A 15 2.032 18.902 -1.721 1.00 0.00 C ATOM 238 CD1 PHE A 15 3.095 18.890 -2.618 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.428 17.687 -1.406 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.529 17.713 -3.177 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.872 16.507 -1.957 1.00 0.00 C ATOM 242 CZ PHE A 15 2.921 16.522 -2.842 1.00 0.00 C ATOM 0 H PHE A 15 1.803 19.158 1.274 1.00 0.00 H new ATOM 0 HA PHE A 15 3.580 20.800 -0.404 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.604 20.075 -0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.500 20.981 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.585 19.817 -2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.596 17.671 -0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.348 17.721 -3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.397 15.573 -1.694 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.271 15.598 -3.277 1.00 0.00 H new ATOM 252 N ASP A 16 2.024 22.161 1.935 1.00 0.00 N ATOM 253 CA ASP A 16 1.535 23.383 2.636 1.00 0.00 C ATOM 254 C ASP A 16 0.127 23.806 2.109 1.00 0.00 C ATOM 255 O ASP A 16 -0.331 24.930 2.308 1.00 0.00 O ATOM 256 CB ASP A 16 2.606 24.525 2.528 1.00 0.00 C ATOM 257 CG ASP A 16 2.320 25.740 3.434 1.00 0.00 C ATOM 258 OD1 ASP A 16 2.471 25.616 4.668 1.00 0.00 O ATOM 259 OD2 ASP A 16 1.943 26.820 2.923 1.00 0.00 O ATOM 0 H ASP A 16 2.225 21.390 2.571 1.00 0.00 H new ATOM 0 HA ASP A 16 1.403 23.166 3.696 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.584 24.117 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.660 24.861 1.493 1.00 0.00 H new ATOM 264 N ASP A 17 -0.587 22.839 1.506 1.00 0.00 N ATOM 265 CA ASP A 17 -1.837 23.082 0.758 1.00 0.00 C ATOM 266 C ASP A 17 -3.062 22.693 1.615 1.00 0.00 C ATOM 267 O ASP A 17 -2.908 22.141 2.704 1.00 0.00 O ATOM 268 CB ASP A 17 -1.776 22.275 -0.575 1.00 0.00 C ATOM 269 CG ASP A 17 -2.749 22.791 -1.649 1.00 0.00 C ATOM 270 OD1 ASP A 17 -3.910 22.344 -1.686 1.00 0.00 O ATOM 271 OD2 ASP A 17 -2.358 23.666 -2.452 1.00 0.00 O ATOM 0 H ASP A 17 -0.311 21.857 1.523 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.942 24.141 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.760 22.313 -0.968 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.998 21.228 -0.367 1.00 0.00 H new ATOM 276 N ASP A 18 -4.270 22.998 1.119 1.00 0.00 N ATOM 277 CA ASP A 18 -5.544 22.731 1.831 1.00 0.00 C ATOM 278 C ASP A 18 -6.657 22.326 0.836 1.00 0.00 C ATOM 279 O ASP A 18 -7.624 21.649 1.207 1.00 0.00 O ATOM 280 CB ASP A 18 -5.945 23.988 2.639 1.00 0.00 C ATOM 281 CG ASP A 18 -7.238 23.814 3.452 1.00 0.00 C ATOM 282 OD1 ASP A 18 -7.236 23.001 4.397 1.00 0.00 O ATOM 283 OD2 ASP A 18 -8.244 24.505 3.174 1.00 0.00 O ATOM 0 H ASP A 18 -4.399 23.439 0.209 1.00 0.00 H new ATOM 0 HA ASP A 18 -5.407 21.896 2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.132 24.248 3.317 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.068 24.826 1.953 1.00 0.00 H new ATOM 288 N SER A 19 -6.479 22.714 -0.442 1.00 0.00 N ATOM 289 CA SER A 19 -7.433 22.417 -1.530 1.00 0.00 C ATOM 290 C SER A 19 -7.303 20.949 -1.980 1.00 0.00 C ATOM 291 O SER A 19 -8.204 20.418 -2.637 1.00 0.00 O ATOM 292 CB SER A 19 -7.196 23.372 -2.722 1.00 0.00 C ATOM 293 OG SER A 19 -7.365 24.715 -2.319 1.00 0.00 O ATOM 0 H SER A 19 -5.665 23.245 -0.751 1.00 0.00 H new ATOM 0 HA SER A 19 -8.445 22.570 -1.156 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.190 23.228 -3.117 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.891 23.137 -3.528 1.00 0.00 H new ATOM 0 HG SER A 19 -7.210 25.308 -3.084 1.00 0.00 H new ATOM 299 N ILE A 20 -6.161 20.307 -1.627 1.00 0.00 N ATOM 300 CA ILE A 20 -5.936 18.877 -1.864 1.00 0.00 C ATOM 301 C ILE A 20 -6.868 18.065 -0.945 1.00 0.00 C ATOM 302 O ILE A 20 -6.675 18.018 0.268 1.00 0.00 O ATOM 303 CB ILE A 20 -4.421 18.470 -1.630 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.490 19.191 -2.667 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.226 16.926 -1.680 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.000 18.875 -2.539 1.00 0.00 C ATOM 0 H ILE A 20 -5.377 20.774 -1.171 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.163 18.657 -2.907 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.139 18.798 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.816 18.922 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.626 20.268 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.175 16.686 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.831 16.458 -0.904 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.535 16.552 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.445 19.423 -3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.649 19.171 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.842 17.805 -2.674 1.00 0.00 H new ATOM 318 N VAL A 21 -7.911 17.481 -1.547 1.00 0.00 N ATOM 319 CA VAL A 21 -8.857 16.576 -0.881 1.00 0.00 C ATOM 320 C VAL A 21 -8.740 15.225 -1.593 1.00 0.00 C ATOM 321 O VAL A 21 -9.100 15.117 -2.777 1.00 0.00 O ATOM 322 CB VAL A 21 -10.343 17.104 -0.942 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.325 16.123 -0.250 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.454 18.524 -0.337 1.00 0.00 C ATOM 0 H VAL A 21 -8.126 17.628 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.612 16.500 0.178 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.627 17.163 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.339 16.519 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.283 15.154 -0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.044 16.005 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.488 18.863 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.134 18.502 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.817 19.209 -0.897 1.00 0.00 H new ATOM 334 N LEU A 22 -8.205 14.213 -0.889 1.00 0.00 N ATOM 335 CA LEU A 22 -7.858 12.926 -1.503 1.00 0.00 C ATOM 336 C LEU A 22 -9.101 12.099 -1.831 1.00 0.00 C ATOM 337 O LEU A 22 -10.069 12.046 -1.063 1.00 0.00 O ATOM 338 CB LEU A 22 -6.901 12.121 -0.605 1.00 0.00 C ATOM 339 CG LEU A 22 -5.535 12.802 -0.275 1.00 0.00 C ATOM 340 CD1 LEU A 22 -4.665 11.862 0.552 1.00 0.00 C ATOM 341 CD2 LEU A 22 -4.796 13.272 -1.547 1.00 0.00 C ATOM 0 H LEU A 22 -8.004 14.265 0.110 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.348 13.149 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.412 11.904 0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.700 11.165 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.743 13.696 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.715 12.348 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.176 11.618 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.481 10.947 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.852 13.739 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.600 12.415 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.414 13.994 -2.081 1.00 0.00 H new ATOM 353 N THR A 23 -9.022 11.461 -2.992 1.00 0.00 N ATOM 354 CA THR A 23 -10.056 10.610 -3.562 1.00 0.00 C ATOM 355 C THR A 23 -9.336 9.405 -4.218 1.00 0.00 C ATOM 356 O THR A 23 -8.092 9.390 -4.297 1.00 0.00 O ATOM 357 CB THR A 23 -10.918 11.413 -4.614 1.00 0.00 C ATOM 358 OG1 THR A 23 -11.002 12.799 -4.228 1.00 0.00 O ATOM 359 CG2 THR A 23 -12.349 10.851 -4.751 1.00 0.00 C ATOM 0 H THR A 23 -8.197 11.527 -3.588 1.00 0.00 H new ATOM 0 HA THR A 23 -10.748 10.263 -2.795 1.00 0.00 H new ATOM 0 HB THR A 23 -10.417 11.311 -5.577 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.537 13.290 -4.886 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.901 11.437 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.302 9.812 -5.077 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.856 10.907 -3.787 1.00 0.00 H new ATOM 367 N ARG A 24 -10.105 8.404 -4.669 1.00 0.00 N ATOM 368 CA ARG A 24 -9.564 7.146 -5.238 1.00 0.00 C ATOM 369 C ARG A 24 -8.635 7.366 -6.469 1.00 0.00 C ATOM 370 O ARG A 24 -7.728 6.565 -6.707 1.00 0.00 O ATOM 371 CB ARG A 24 -10.748 6.211 -5.606 1.00 0.00 C ATOM 372 CG ARG A 24 -11.599 6.721 -6.786 1.00 0.00 C ATOM 373 CD ARG A 24 -12.801 5.826 -7.126 1.00 0.00 C ATOM 374 NE ARG A 24 -13.410 6.226 -8.414 1.00 0.00 N ATOM 375 CZ ARG A 24 -14.721 6.403 -8.661 1.00 0.00 C ATOM 376 NH1 ARG A 24 -15.626 6.311 -7.693 1.00 0.00 N ATOM 377 NH2 ARG A 24 -15.115 6.695 -9.892 1.00 0.00 N ATOM 0 H ARG A 24 -11.124 8.437 -4.653 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.935 6.687 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.357 5.224 -5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.389 6.091 -4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.960 7.723 -6.553 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.964 6.808 -7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.481 4.785 -7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.545 5.892 -6.332 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.771 6.384 -9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.333 6.102 -6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.614 6.449 -7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.427 6.783 -10.640 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.106 6.831 -10.091 1.00 0.00 H new ATOM 391 N GLU A 25 -8.852 8.454 -7.243 1.00 0.00 N ATOM 392 CA GLU A 25 -8.047 8.738 -8.463 1.00 0.00 C ATOM 393 C GLU A 25 -7.266 10.063 -8.354 1.00 0.00 C ATOM 394 O GLU A 25 -6.691 10.522 -9.349 1.00 0.00 O ATOM 395 CB GLU A 25 -8.922 8.720 -9.757 1.00 0.00 C ATOM 396 CG GLU A 25 -9.960 9.856 -9.902 1.00 0.00 C ATOM 397 CD GLU A 25 -11.139 9.724 -8.935 1.00 0.00 C ATOM 398 OE1 GLU A 25 -12.080 8.960 -9.241 1.00 0.00 O ATOM 399 OE2 GLU A 25 -11.121 10.352 -7.856 1.00 0.00 O ATOM 0 H GLU A 25 -9.573 9.149 -7.049 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.318 7.932 -8.539 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.257 8.753 -10.620 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.450 7.767 -9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.467 10.813 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.337 9.866 -10.925 1.00 0.00 H new ATOM 406 N THR A 26 -7.244 10.685 -7.158 1.00 0.00 N ATOM 407 CA THR A 26 -6.326 11.808 -6.876 1.00 0.00 C ATOM 408 C THR A 26 -4.874 11.331 -7.041 1.00 0.00 C ATOM 409 O THR A 26 -4.533 10.259 -6.563 1.00 0.00 O ATOM 410 CB THR A 26 -6.535 12.366 -5.434 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.908 12.725 -5.257 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.639 13.588 -5.136 1.00 0.00 C ATOM 0 H THR A 26 -7.847 10.431 -6.376 1.00 0.00 H new ATOM 0 HA THR A 26 -6.539 12.611 -7.581 1.00 0.00 H new ATOM 0 HB THR A 26 -6.252 11.579 -4.735 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.989 13.350 -4.506 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.825 13.936 -4.120 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.591 13.304 -5.237 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.868 14.387 -5.841 1.00 0.00 H new ATOM 420 N SER A 27 -4.044 12.118 -7.721 1.00 0.00 N ATOM 421 CA SER A 27 -2.679 11.709 -8.085 1.00 0.00 C ATOM 422 C SER A 27 -1.771 12.921 -8.283 1.00 0.00 C ATOM 423 O SER A 27 -2.213 14.081 -8.222 1.00 0.00 O ATOM 424 CB SER A 27 -2.712 10.858 -9.378 1.00 0.00 C ATOM 425 OG SER A 27 -3.220 11.597 -10.482 1.00 0.00 O ATOM 0 H SER A 27 -4.292 13.055 -8.037 1.00 0.00 H new ATOM 0 HA SER A 27 -2.274 11.113 -7.267 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.706 10.506 -9.608 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.330 9.975 -9.216 1.00 0.00 H new ATOM 0 HG SER A 27 -3.225 11.030 -11.281 1.00 0.00 H new ATOM 431 N ALA A 28 -0.493 12.629 -8.544 1.00 0.00 N ATOM 432 CA ALA A 28 0.530 13.638 -8.818 1.00 0.00 C ATOM 433 C ALA A 28 0.386 14.264 -10.215 1.00 0.00 C ATOM 434 O ALA A 28 1.045 15.262 -10.516 1.00 0.00 O ATOM 435 CB ALA A 28 1.909 13.015 -8.616 1.00 0.00 C ATOM 0 H ALA A 28 -0.138 11.673 -8.571 1.00 0.00 H new ATOM 0 HA ALA A 28 0.399 14.461 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.678 13.760 -8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.003 12.666 -7.588 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.031 12.173 -9.298 1.00 0.00 H new ATOM 441 N ASN A 29 -0.483 13.676 -11.051 1.00 0.00 N ATOM 442 CA ASN A 29 -0.824 14.208 -12.381 1.00 0.00 C ATOM 443 C ASN A 29 -2.114 15.053 -12.271 1.00 0.00 C ATOM 444 O ASN A 29 -2.300 16.029 -13.002 1.00 0.00 O ATOM 445 CB ASN A 29 -1.014 13.030 -13.369 1.00 0.00 C ATOM 446 CG ASN A 29 -1.260 13.463 -14.816 1.00 0.00 C ATOM 447 OD1 ASN A 29 -2.401 13.668 -15.235 1.00 0.00 O ATOM 448 ND2 ASN A 29 -0.191 13.612 -15.586 1.00 0.00 N ATOM 0 H ASN A 29 -0.973 12.811 -10.822 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.021 14.844 -12.753 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.128 12.396 -13.336 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.854 12.421 -13.035 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.299 13.905 -16.557 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.739 13.434 -15.207 1.00 0.00 H new ATOM 455 N ASP A 30 -3.001 14.637 -11.341 1.00 0.00 N ATOM 456 CA ASP A 30 -4.289 15.306 -11.036 1.00 0.00 C ATOM 457 C ASP A 30 -4.093 16.731 -10.451 1.00 0.00 C ATOM 458 O ASP A 30 -4.957 17.595 -10.615 1.00 0.00 O ATOM 459 CB ASP A 30 -5.078 14.403 -10.042 1.00 0.00 C ATOM 460 CG ASP A 30 -6.427 14.974 -9.561 1.00 0.00 C ATOM 461 OD1 ASP A 30 -7.418 14.917 -10.323 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.511 15.462 -8.409 1.00 0.00 O ATOM 0 H ASP A 30 -2.840 13.809 -10.768 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.848 15.436 -11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.259 13.439 -10.518 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.450 14.215 -9.171 1.00 0.00 H new ATOM 467 N ILE A 31 -2.939 16.974 -9.791 1.00 0.00 N ATOM 468 CA ILE A 31 -2.672 18.229 -9.044 1.00 0.00 C ATOM 469 C ILE A 31 -1.352 18.866 -9.535 1.00 0.00 C ATOM 470 O ILE A 31 -0.315 18.196 -9.568 1.00 0.00 O ATOM 471 CB ILE A 31 -2.604 17.944 -7.490 1.00 0.00 C ATOM 472 CG1 ILE A 31 -3.940 17.296 -6.994 1.00 0.00 C ATOM 473 CG2 ILE A 31 -2.278 19.230 -6.681 1.00 0.00 C ATOM 474 CD1 ILE A 31 -3.937 16.849 -5.547 1.00 0.00 C ATOM 0 H ILE A 31 -2.166 16.309 -9.759 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.488 18.927 -9.228 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.790 17.240 -7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.748 18.013 -7.135 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.164 16.435 -7.624 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.240 18.991 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.313 19.625 -6.999 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.052 19.977 -6.858 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.905 16.414 -5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.155 16.104 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.748 17.707 -4.902 1.00 0.00 H new ATOM 486 N ASP A 32 -1.420 20.161 -9.939 1.00 0.00 N ATOM 487 CA ASP A 32 -0.250 20.949 -10.404 1.00 0.00 C ATOM 488 C ASP A 32 0.736 21.230 -9.255 1.00 0.00 C ATOM 489 O ASP A 32 1.952 21.264 -9.471 1.00 0.00 O ATOM 490 CB ASP A 32 -0.711 22.296 -11.030 1.00 0.00 C ATOM 491 CG ASP A 32 -1.555 22.109 -12.303 1.00 0.00 C ATOM 492 OD1 ASP A 32 -2.765 21.819 -12.187 1.00 0.00 O ATOM 493 OD2 ASP A 32 -1.017 22.246 -13.424 1.00 0.00 O ATOM 0 H ASP A 32 -2.292 20.690 -9.951 1.00 0.00 H new ATOM 0 HA ASP A 32 0.261 20.353 -11.160 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.291 22.853 -10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.165 22.899 -11.267 1.00 0.00 H new ATOM 498 N ALA A 33 0.192 21.435 -8.036 1.00 0.00 N ATOM 499 CA ALA A 33 0.986 21.674 -6.804 1.00 0.00 C ATOM 500 C ALA A 33 1.829 20.442 -6.396 1.00 0.00 C ATOM 501 O ALA A 33 2.746 20.554 -5.577 1.00 0.00 O ATOM 502 CB ALA A 33 0.054 22.088 -5.645 1.00 0.00 C ATOM 0 H ALA A 33 -0.815 21.440 -7.875 1.00 0.00 H new ATOM 0 HA ALA A 33 1.683 22.483 -7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.646 22.261 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.475 23.003 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.668 21.293 -5.457 1.00 0.00 H new ATOM 508 N TRP A 34 1.504 19.272 -6.968 1.00 0.00 N ATOM 509 CA TRP A 34 2.160 18.001 -6.642 1.00 0.00 C ATOM 510 C TRP A 34 3.379 17.795 -7.567 1.00 0.00 C ATOM 511 O TRP A 34 3.246 17.822 -8.796 1.00 0.00 O ATOM 512 CB TRP A 34 1.144 16.843 -6.788 1.00 0.00 C ATOM 513 CG TRP A 34 1.466 15.592 -6.004 1.00 0.00 C ATOM 514 CD1 TRP A 34 2.688 15.004 -5.790 1.00 0.00 C ATOM 515 CD2 TRP A 34 0.507 14.746 -5.381 1.00 0.00 C ATOM 516 NE1 TRP A 34 2.534 13.872 -5.042 1.00 0.00 N ATOM 517 CE2 TRP A 34 1.200 13.685 -4.790 1.00 0.00 C ATOM 518 CE3 TRP A 34 -0.882 14.801 -5.269 1.00 0.00 C ATOM 519 CZ2 TRP A 34 0.550 12.681 -4.092 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -1.530 13.803 -4.585 1.00 0.00 C ATOM 521 CH2 TRP A 34 -0.813 12.755 -4.006 1.00 0.00 C ATOM 0 H TRP A 34 0.773 19.183 -7.674 1.00 0.00 H new ATOM 0 HA TRP A 34 2.514 18.018 -5.611 1.00 0.00 H new ATOM 0 HB2 TRP A 34 0.163 17.203 -6.478 1.00 0.00 H new ATOM 0 HB3 TRP A 34 1.068 16.580 -7.843 1.00 0.00 H new ATOM 0 HD1 TRP A 34 3.631 15.381 -6.158 1.00 0.00 H new ATOM 0 HE1 TRP A 34 3.289 13.265 -4.723 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -1.438 15.614 -5.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.098 11.871 -3.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -2.606 13.829 -4.494 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.349 11.982 -3.476 1.00 0.00 H new ATOM 532 N ASP A 35 4.551 17.605 -6.947 1.00 0.00 N ATOM 533 CA ASP A 35 5.839 17.369 -7.633 1.00 0.00 C ATOM 534 C ASP A 35 6.395 15.976 -7.274 1.00 0.00 C ATOM 535 O ASP A 35 6.256 15.522 -6.127 1.00 0.00 O ATOM 536 CB ASP A 35 6.838 18.513 -7.253 1.00 0.00 C ATOM 537 CG ASP A 35 8.328 18.115 -7.313 1.00 0.00 C ATOM 538 OD1 ASP A 35 8.883 17.958 -8.417 1.00 0.00 O ATOM 539 OD2 ASP A 35 8.941 17.946 -6.243 1.00 0.00 O ATOM 0 H ASP A 35 4.638 17.610 -5.931 1.00 0.00 H new ATOM 0 HA ASP A 35 5.693 17.384 -8.713 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.674 19.357 -7.923 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.608 18.857 -6.245 1.00 0.00 H new ATOM 544 N SER A 36 6.957 15.297 -8.301 1.00 0.00 N ATOM 545 CA SER A 36 7.731 14.038 -8.193 1.00 0.00 C ATOM 546 C SER A 36 8.611 13.945 -6.918 1.00 0.00 C ATOM 547 O SER A 36 8.443 13.035 -6.113 1.00 0.00 O ATOM 548 CB SER A 36 8.644 13.905 -9.446 1.00 0.00 C ATOM 549 OG SER A 36 8.026 14.461 -10.631 1.00 0.00 O ATOM 0 H SER A 36 6.881 15.623 -9.264 1.00 0.00 H new ATOM 0 HA SER A 36 7.005 13.228 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.591 14.412 -9.260 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.874 12.853 -9.617 1.00 0.00 H new ATOM 0 HG SER A 36 8.632 14.359 -11.394 1.00 0.00 H new ATOM 554 N LEU A 37 9.570 14.885 -6.786 1.00 0.00 N ATOM 555 CA LEU A 37 10.555 14.901 -5.671 1.00 0.00 C ATOM 556 C LEU A 37 9.869 15.053 -4.291 1.00 0.00 C ATOM 557 O LEU A 37 10.374 14.544 -3.281 1.00 0.00 O ATOM 558 CB LEU A 37 11.622 16.027 -5.881 1.00 0.00 C ATOM 559 CG LEU A 37 12.653 15.839 -7.048 1.00 0.00 C ATOM 560 CD1 LEU A 37 13.401 14.503 -6.902 1.00 0.00 C ATOM 561 CD2 LEU A 37 12.000 16.000 -8.444 1.00 0.00 C ATOM 0 H LEU A 37 9.688 15.655 -7.445 1.00 0.00 H new ATOM 0 HA LEU A 37 11.062 13.936 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.093 16.965 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.182 16.137 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 37 13.389 16.640 -6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.111 14.392 -7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.937 14.488 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.686 13.681 -6.928 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.755 15.861 -9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.214 15.255 -8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.571 16.998 -8.532 1.00 0.00 H new ATOM 573 N SER A 38 8.701 15.722 -4.264 1.00 0.00 N ATOM 574 CA SER A 38 7.941 15.965 -3.022 1.00 0.00 C ATOM 575 C SER A 38 7.235 14.682 -2.516 1.00 0.00 C ATOM 576 O SER A 38 6.856 14.618 -1.341 1.00 0.00 O ATOM 577 CB SER A 38 6.928 17.100 -3.239 1.00 0.00 C ATOM 578 OG SER A 38 7.575 18.291 -3.643 1.00 0.00 O ATOM 0 H SER A 38 8.259 16.108 -5.098 1.00 0.00 H new ATOM 0 HA SER A 38 8.648 16.265 -2.249 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.201 16.803 -3.995 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.374 17.278 -2.317 1.00 0.00 H new ATOM 0 HG SER A 38 8.006 18.151 -4.512 1.00 0.00 H new ATOM 584 N HIS A 39 7.074 13.672 -3.411 1.00 0.00 N ATOM 585 CA HIS A 39 6.591 12.310 -3.039 1.00 0.00 C ATOM 586 C HIS A 39 7.399 11.700 -1.875 1.00 0.00 C ATOM 587 O HIS A 39 6.834 11.008 -1.039 1.00 0.00 O ATOM 588 CB HIS A 39 6.635 11.322 -4.247 1.00 0.00 C ATOM 589 CG HIS A 39 5.415 11.311 -5.135 1.00 0.00 C ATOM 590 ND1 HIS A 39 4.176 11.048 -4.615 1.00 0.00 N ATOM 591 CD2 HIS A 39 5.317 11.385 -6.484 1.00 0.00 C ATOM 592 CE1 HIS A 39 3.365 10.951 -5.645 1.00 0.00 C ATOM 593 NE2 HIS A 39 4.006 11.142 -6.805 1.00 0.00 N ATOM 0 H HIS A 39 7.273 13.775 -4.406 1.00 0.00 H new ATOM 0 HA HIS A 39 5.557 12.446 -2.722 1.00 0.00 H new ATOM 0 HB2 HIS A 39 7.504 11.565 -4.859 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.789 10.314 -3.862 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.119 11.595 -7.176 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.308 10.742 -5.565 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.600 11.113 -7.740 1.00 0.00 H new ATOM 601 N MET A 40 8.719 11.965 -1.831 1.00 0.00 N ATOM 602 CA MET A 40 9.612 11.397 -0.795 1.00 0.00 C ATOM 603 C MET A 40 9.210 11.839 0.626 1.00 0.00 C ATOM 604 O MET A 40 9.364 11.068 1.587 1.00 0.00 O ATOM 605 CB MET A 40 11.090 11.751 -1.087 1.00 0.00 C ATOM 606 CG MET A 40 11.618 11.145 -2.399 1.00 0.00 C ATOM 607 SD MET A 40 11.273 9.366 -2.531 1.00 0.00 S ATOM 608 CE MET A 40 12.099 8.694 -1.084 1.00 0.00 C ATOM 0 H MET A 40 9.194 12.570 -2.501 1.00 0.00 H new ATOM 0 HA MET A 40 9.502 10.313 -0.836 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.194 12.835 -1.129 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.709 11.403 -0.260 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.164 11.664 -3.244 1.00 0.00 H new ATOM 0 HG3 MET A 40 12.694 11.309 -2.465 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.036 7.606 -1.101 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.146 8.997 -1.089 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.617 9.071 -0.182 1.00 0.00 H new ATOM 618 N ASN A 41 8.654 13.064 0.732 1.00 0.00 N ATOM 619 CA ASN A 41 8.093 13.588 1.996 1.00 0.00 C ATOM 620 C ASN A 41 6.879 12.754 2.432 1.00 0.00 C ATOM 621 O ASN A 41 6.698 12.508 3.627 1.00 0.00 O ATOM 622 CB ASN A 41 7.686 15.070 1.867 1.00 0.00 C ATOM 623 CG ASN A 41 8.850 15.993 1.511 1.00 0.00 C ATOM 624 OD1 ASN A 41 9.097 16.161 0.222 1.00 0.00 O flip ATOM 625 ND2 ASN A 41 9.529 16.540 2.378 1.00 0.00 N flip ATOM 0 H ASN A 41 8.581 13.714 -0.050 1.00 0.00 H new ATOM 0 HA ASN A 41 8.874 13.514 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.914 15.161 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.245 15.401 2.807 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.314 16.391 3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.307 17.143 2.111 1.00 0.00 H new ATOM 632 N LEU A 42 6.082 12.280 1.445 1.00 0.00 N ATOM 633 CA LEU A 42 4.917 11.419 1.709 1.00 0.00 C ATOM 634 C LEU A 42 5.379 10.095 2.286 1.00 0.00 C ATOM 635 O LEU A 42 4.956 9.754 3.371 1.00 0.00 O ATOM 636 CB LEU A 42 4.043 11.153 0.436 1.00 0.00 C ATOM 637 CG LEU A 42 3.114 12.308 -0.020 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.200 12.743 1.125 1.00 0.00 C ATOM 639 CD2 LEU A 42 3.907 13.490 -0.563 1.00 0.00 C ATOM 0 H LEU A 42 6.230 12.484 0.457 1.00 0.00 H new ATOM 0 HA LEU A 42 4.289 11.954 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.710 10.905 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.427 10.273 0.623 1.00 0.00 H new ATOM 0 HG LEU A 42 2.495 11.933 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.555 13.554 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.587 11.899 1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.806 13.086 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.220 14.278 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.570 13.871 0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.499 13.168 -1.420 1.00 0.00 H new ATOM 651 N ILE A 43 6.298 9.402 1.571 1.00 0.00 N ATOM 652 CA ILE A 43 6.769 8.049 1.938 1.00 0.00 C ATOM 653 C ILE A 43 7.223 8.022 3.407 1.00 0.00 C ATOM 654 O ILE A 43 6.616 7.318 4.204 1.00 0.00 O ATOM 655 CB ILE A 43 7.911 7.527 0.958 1.00 0.00 C ATOM 656 CG1 ILE A 43 7.320 6.965 -0.386 1.00 0.00 C ATOM 657 CG2 ILE A 43 8.829 6.457 1.625 1.00 0.00 C ATOM 658 CD1 ILE A 43 6.523 7.943 -1.228 1.00 0.00 C ATOM 0 H ILE A 43 6.732 9.768 0.724 1.00 0.00 H new ATOM 0 HA ILE A 43 5.931 7.361 1.827 1.00 0.00 H new ATOM 0 HB ILE A 43 8.525 8.398 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.144 6.585 -0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.680 6.115 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.590 6.136 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.312 6.888 2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.228 5.599 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.167 7.442 -2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.671 8.307 -0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.158 8.784 -1.508 1.00 0.00 H new ATOM 670 N VAL A 44 8.202 8.879 3.767 1.00 0.00 N ATOM 671 CA VAL A 44 8.765 8.906 5.131 1.00 0.00 C ATOM 672 C VAL A 44 7.689 9.242 6.198 1.00 0.00 C ATOM 673 O VAL A 44 7.732 8.702 7.308 1.00 0.00 O ATOM 674 CB VAL A 44 9.992 9.889 5.235 1.00 0.00 C ATOM 675 CG1 VAL A 44 11.160 9.410 4.331 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.590 11.348 4.898 1.00 0.00 C ATOM 0 H VAL A 44 8.618 9.560 3.132 1.00 0.00 H new ATOM 0 HA VAL A 44 9.127 7.899 5.340 1.00 0.00 H new ATOM 0 HB VAL A 44 10.334 9.879 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.996 10.104 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.479 8.416 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.826 9.374 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.464 11.995 4.981 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.201 11.393 3.881 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.822 11.684 5.595 1.00 0.00 H new ATOM 686 N SER A 45 6.705 10.098 5.827 1.00 0.00 N ATOM 687 CA SER A 45 5.570 10.452 6.704 1.00 0.00 C ATOM 688 C SER A 45 4.597 9.264 6.885 1.00 0.00 C ATOM 689 O SER A 45 4.105 9.037 7.980 1.00 0.00 O ATOM 690 CB SER A 45 4.820 11.689 6.159 1.00 0.00 C ATOM 691 OG SER A 45 5.657 12.832 6.150 1.00 0.00 O ATOM 0 H SER A 45 6.679 10.558 4.917 1.00 0.00 H new ATOM 0 HA SER A 45 5.979 10.698 7.684 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.465 11.487 5.148 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.940 11.884 6.772 1.00 0.00 H new ATOM 0 HG SER A 45 6.143 12.875 5.300 1.00 0.00 H new ATOM 697 N LEU A 46 4.353 8.494 5.816 1.00 0.00 N ATOM 698 CA LEU A 46 3.419 7.345 5.847 1.00 0.00 C ATOM 699 C LEU A 46 4.020 6.198 6.689 1.00 0.00 C ATOM 700 O LEU A 46 3.303 5.526 7.441 1.00 0.00 O ATOM 701 CB LEU A 46 3.077 6.853 4.404 1.00 0.00 C ATOM 702 CG LEU A 46 2.459 7.909 3.414 1.00 0.00 C ATOM 703 CD1 LEU A 46 2.025 7.255 2.083 1.00 0.00 C ATOM 704 CD2 LEU A 46 1.304 8.701 4.063 1.00 0.00 C ATOM 0 H LEU A 46 4.791 8.643 4.907 1.00 0.00 H new ATOM 0 HA LEU A 46 2.489 7.672 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.990 6.462 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.380 6.019 4.487 1.00 0.00 H new ATOM 0 HG LEU A 46 3.245 8.627 3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.603 8.015 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.891 6.799 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.275 6.490 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.906 9.419 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.514 8.012 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.675 9.232 4.940 1.00 0.00 H new ATOM 716 N GLU A 47 5.354 6.036 6.575 1.00 0.00 N ATOM 717 CA GLU A 47 6.136 5.027 7.313 1.00 0.00 C ATOM 718 C GLU A 47 6.029 5.257 8.827 1.00 0.00 C ATOM 719 O GLU A 47 5.726 4.339 9.575 1.00 0.00 O ATOM 720 CB GLU A 47 7.633 5.082 6.885 1.00 0.00 C ATOM 721 CG GLU A 47 7.913 4.802 5.393 1.00 0.00 C ATOM 722 CD GLU A 47 7.630 3.361 4.959 1.00 0.00 C ATOM 723 OE1 GLU A 47 6.478 3.046 4.597 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.575 2.532 4.975 1.00 0.00 O ATOM 0 H GLU A 47 5.926 6.612 5.958 1.00 0.00 H new ATOM 0 HA GLU A 47 5.728 4.045 7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.026 6.069 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.189 4.359 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.307 5.477 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.957 5.035 5.181 1.00 0.00 H new ATOM 731 N VAL A 48 6.309 6.495 9.271 1.00 0.00 N ATOM 732 CA VAL A 48 6.347 6.827 10.704 1.00 0.00 C ATOM 733 C VAL A 48 4.932 6.981 11.332 1.00 0.00 C ATOM 734 O VAL A 48 4.697 6.470 12.432 1.00 0.00 O ATOM 735 CB VAL A 48 7.237 8.095 10.977 1.00 0.00 C ATOM 736 CG1 VAL A 48 8.708 7.832 10.557 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.681 9.366 10.287 1.00 0.00 C ATOM 0 H VAL A 48 6.512 7.283 8.656 1.00 0.00 H new ATOM 0 HA VAL A 48 6.810 5.975 11.201 1.00 0.00 H new ATOM 0 HB VAL A 48 7.209 8.282 12.050 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.307 8.721 10.754 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.105 6.993 11.128 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.746 7.597 9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.331 10.213 10.506 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.643 9.208 9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.678 9.573 10.659 1.00 0.00 H new ATOM 747 N HIS A 49 4.001 7.670 10.623 1.00 0.00 N ATOM 748 CA HIS A 49 2.623 7.944 11.132 1.00 0.00 C ATOM 749 C HIS A 49 1.799 6.644 11.239 1.00 0.00 C ATOM 750 O HIS A 49 1.156 6.394 12.261 1.00 0.00 O ATOM 751 CB HIS A 49 1.866 8.983 10.232 1.00 0.00 C ATOM 752 CG HIS A 49 2.297 10.424 10.407 1.00 0.00 C ATOM 753 ND1 HIS A 49 3.476 11.042 10.166 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 1.449 11.413 10.862 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 3.314 12.364 10.476 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 2.084 12.562 10.891 1.00 0.00 N flip ATOM 0 H HIS A 49 4.177 8.049 9.693 1.00 0.00 H new ATOM 0 HA HIS A 49 2.734 8.373 12.128 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.005 8.704 9.188 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.799 8.912 10.442 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.419 11.264 11.151 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.076 13.124 10.393 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.689 13.455 11.185 1.00 0.00 H new ATOM 765 N TYR A 50 1.818 5.831 10.163 1.00 0.00 N ATOM 766 CA TYR A 50 1.024 4.579 10.085 1.00 0.00 C ATOM 767 C TYR A 50 1.825 3.341 10.526 1.00 0.00 C ATOM 768 O TYR A 50 1.259 2.245 10.628 1.00 0.00 O ATOM 769 CB TYR A 50 0.456 4.395 8.658 1.00 0.00 C ATOM 770 CG TYR A 50 -0.561 5.483 8.287 1.00 0.00 C ATOM 771 CD1 TYR A 50 -0.160 6.693 7.713 1.00 0.00 C ATOM 772 CD2 TYR A 50 -1.924 5.307 8.550 1.00 0.00 C ATOM 773 CE1 TYR A 50 -1.081 7.676 7.414 1.00 0.00 C ATOM 774 CE2 TYR A 50 -2.844 6.288 8.254 1.00 0.00 C ATOM 775 CZ TYR A 50 -2.418 7.465 7.687 1.00 0.00 C ATOM 776 OH TYR A 50 -3.336 8.443 7.402 1.00 0.00 O ATOM 0 H TYR A 50 2.376 6.017 9.330 1.00 0.00 H new ATOM 0 HA TYR A 50 0.196 4.675 10.787 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.276 4.408 7.939 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.019 3.417 8.583 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.886 6.861 7.501 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.262 4.382 8.994 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.758 8.605 6.969 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.892 6.134 8.466 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.239 8.063 7.434 1.00 0.00 H new ATOM 786 N LYS A 51 3.131 3.537 10.808 1.00 0.00 N ATOM 787 CA LYS A 51 4.065 2.473 11.277 1.00 0.00 C ATOM 788 C LYS A 51 4.184 1.343 10.231 1.00 0.00 C ATOM 789 O LYS A 51 4.537 0.213 10.561 1.00 0.00 O ATOM 790 CB LYS A 51 3.693 1.899 12.687 1.00 0.00 C ATOM 791 CG LYS A 51 3.809 2.893 13.879 1.00 0.00 C ATOM 792 CD LYS A 51 2.652 3.926 13.987 1.00 0.00 C ATOM 793 CE LYS A 51 1.296 3.313 14.409 1.00 0.00 C ATOM 794 NZ LYS A 51 0.703 2.408 13.387 1.00 0.00 N ATOM 0 H LYS A 51 3.579 4.449 10.717 1.00 0.00 H new ATOM 0 HA LYS A 51 5.039 2.949 11.391 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.669 1.527 12.648 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.336 1.042 12.890 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.854 2.322 14.806 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.752 3.433 13.792 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.931 4.694 14.708 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.531 4.422 13.024 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.432 2.758 15.337 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.593 4.119 14.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.319 2.586 13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.149 2.586 12.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.864 1.419 13.664 1.00 0.00 H new ATOM 808 N ILE A 52 3.963 1.687 8.954 1.00 0.00 N ATOM 809 CA ILE A 52 3.936 0.714 7.847 1.00 0.00 C ATOM 810 C ILE A 52 5.277 0.760 7.106 1.00 0.00 C ATOM 811 O ILE A 52 6.157 1.559 7.470 1.00 0.00 O ATOM 812 CB ILE A 52 2.732 0.999 6.873 1.00 0.00 C ATOM 813 CG1 ILE A 52 2.833 2.431 6.250 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.387 0.785 7.619 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.685 2.806 5.328 1.00 0.00 C ATOM 0 H ILE A 52 3.797 2.649 8.657 1.00 0.00 H new ATOM 0 HA ILE A 52 3.788 -0.288 8.251 1.00 0.00 H new ATOM 0 HB ILE A 52 2.776 0.293 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.885 3.161 7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.767 2.505 5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.558 0.984 6.939 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.327 -0.244 7.973 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.330 1.465 8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.841 3.814 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.642 2.103 4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.747 2.770 5.882 1.00 0.00 H new ATOM 827 N LYS A 53 5.442 -0.100 6.089 1.00 0.00 N ATOM 828 CA LYS A 53 6.703 -0.196 5.344 1.00 0.00 C ATOM 829 C LYS A 53 6.452 -0.575 3.877 1.00 0.00 C ATOM 830 O LYS A 53 6.084 -1.715 3.574 1.00 0.00 O ATOM 831 CB LYS A 53 7.662 -1.196 6.041 1.00 0.00 C ATOM 832 CG LYS A 53 9.102 -1.204 5.480 1.00 0.00 C ATOM 833 CD LYS A 53 10.072 -2.020 6.366 1.00 0.00 C ATOM 834 CE LYS A 53 11.500 -2.076 5.807 1.00 0.00 C ATOM 835 NZ LYS A 53 12.410 -2.829 6.708 1.00 0.00 N ATOM 0 H LYS A 53 4.716 -0.739 5.765 1.00 0.00 H new ATOM 0 HA LYS A 53 7.182 0.783 5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.702 -0.960 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.246 -2.200 5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.095 -1.621 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.463 -0.179 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.097 -1.583 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.690 -3.035 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.488 -2.547 4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.878 -1.063 5.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.366 -2.847 6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.440 -2.365 7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.062 -3.803 6.818 1.00 0.00 H new ATOM 849 N PHE A 54 6.615 0.414 2.978 1.00 0.00 N ATOM 850 CA PHE A 54 6.579 0.197 1.524 1.00 0.00 C ATOM 851 C PHE A 54 7.964 -0.244 1.036 1.00 0.00 C ATOM 852 O PHE A 54 8.995 0.237 1.523 1.00 0.00 O ATOM 853 CB PHE A 54 6.167 1.485 0.747 1.00 0.00 C ATOM 854 CG PHE A 54 4.778 2.043 1.066 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.635 1.558 0.419 1.00 0.00 C ATOM 856 CD2 PHE A 54 4.615 3.065 1.999 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.390 2.081 0.699 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.369 3.586 2.269 1.00 0.00 C ATOM 859 CZ PHE A 54 2.257 3.091 1.624 1.00 0.00 C ATOM 0 H PHE A 54 6.775 1.386 3.242 1.00 0.00 H new ATOM 0 HA PHE A 54 5.833 -0.574 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.905 2.261 0.952 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.215 1.273 -0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.729 0.765 -0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.478 3.454 2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.518 1.697 0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.263 4.385 2.988 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.280 3.496 1.844 1.00 0.00 H new ATOM 869 N ALA A 55 7.966 -1.177 0.087 1.00 0.00 N ATOM 870 CA ALA A 55 9.123 -1.470 -0.764 1.00 0.00 C ATOM 871 C ALA A 55 8.996 -0.601 -2.025 1.00 0.00 C ATOM 872 O ALA A 55 7.894 -0.129 -2.339 1.00 0.00 O ATOM 873 CB ALA A 55 9.167 -2.969 -1.119 1.00 0.00 C ATOM 0 H ALA A 55 7.155 -1.760 -0.118 1.00 0.00 H new ATOM 0 HA ALA A 55 10.054 -1.241 -0.245 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.032 -3.168 -1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.243 -3.557 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.257 -3.243 -1.653 1.00 0.00 H new ATOM 879 N LEU A 56 10.106 -0.381 -2.745 1.00 0.00 N ATOM 880 CA LEU A 56 10.090 0.369 -4.024 1.00 0.00 C ATOM 881 C LEU A 56 9.211 -0.375 -5.068 1.00 0.00 C ATOM 882 O LEU A 56 8.625 0.254 -5.941 1.00 0.00 O ATOM 883 CB LEU A 56 11.556 0.591 -4.538 1.00 0.00 C ATOM 884 CG LEU A 56 11.860 1.930 -5.300 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.155 2.020 -6.672 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.523 3.148 -4.410 1.00 0.00 C ATOM 0 H LEU A 56 11.031 -0.710 -2.468 1.00 0.00 H new ATOM 0 HA LEU A 56 9.647 1.352 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.226 0.532 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 56 11.810 -0.238 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 56 12.929 1.938 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.405 2.968 -7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.486 1.197 -7.306 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.076 1.958 -6.531 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.740 4.067 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.466 3.124 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.125 3.113 -3.502 1.00 0.00 H new ATOM 898 N GLY A 57 9.084 -1.711 -4.915 1.00 0.00 N ATOM 899 CA GLY A 57 8.166 -2.514 -5.731 1.00 0.00 C ATOM 900 C GLY A 57 6.696 -2.132 -5.526 1.00 0.00 C ATOM 901 O GLY A 57 5.902 -2.191 -6.467 1.00 0.00 O ATOM 0 H GLY A 57 9.611 -2.252 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.424 -2.394 -6.783 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.299 -3.568 -5.488 1.00 0.00 H new ATOM 905 N GLU A 58 6.348 -1.730 -4.279 1.00 0.00 N ATOM 906 CA GLU A 58 5.005 -1.205 -3.939 1.00 0.00 C ATOM 907 C GLU A 58 4.808 0.171 -4.599 1.00 0.00 C ATOM 908 O GLU A 58 3.745 0.445 -5.164 1.00 0.00 O ATOM 909 CB GLU A 58 4.840 -1.079 -2.395 1.00 0.00 C ATOM 910 CG GLU A 58 5.200 -2.355 -1.594 1.00 0.00 C ATOM 911 CD GLU A 58 4.200 -3.521 -1.725 1.00 0.00 C ATOM 912 OE1 GLU A 58 4.139 -4.157 -2.803 1.00 0.00 O ATOM 913 OE2 GLU A 58 3.498 -3.837 -0.735 1.00 0.00 O ATOM 0 H GLU A 58 6.988 -1.761 -3.485 1.00 0.00 H new ATOM 0 HA GLU A 58 4.252 -1.900 -4.311 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.465 -0.258 -2.043 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.807 -0.809 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.181 -2.702 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.287 -2.090 -0.540 1.00 0.00 H new ATOM 920 N LEU A 59 5.881 1.002 -4.539 1.00 0.00 N ATOM 921 CA LEU A 59 5.936 2.353 -5.153 1.00 0.00 C ATOM 922 C LEU A 59 5.589 2.306 -6.651 1.00 0.00 C ATOM 923 O LEU A 59 4.785 3.106 -7.129 1.00 0.00 O ATOM 924 CB LEU A 59 7.349 2.997 -4.938 1.00 0.00 C ATOM 925 CG LEU A 59 7.567 3.819 -3.628 1.00 0.00 C ATOM 926 CD1 LEU A 59 6.796 5.138 -3.693 1.00 0.00 C ATOM 927 CD2 LEU A 59 7.186 3.023 -2.365 1.00 0.00 C ATOM 0 H LEU A 59 6.743 0.748 -4.056 1.00 0.00 H new ATOM 0 HA LEU A 59 5.188 2.973 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.091 2.199 -4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.555 3.651 -5.785 1.00 0.00 H new ATOM 0 HG LEU A 59 8.633 4.035 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.958 5.700 -2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.148 5.724 -4.542 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.732 4.932 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.356 3.639 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.134 2.743 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.798 2.123 -2.303 1.00 0.00 H new ATOM 939 N GLN A 60 6.187 1.334 -7.358 1.00 0.00 N ATOM 940 CA GLN A 60 5.957 1.092 -8.804 1.00 0.00 C ATOM 941 C GLN A 60 4.462 0.891 -9.147 1.00 0.00 C ATOM 942 O GLN A 60 4.038 1.145 -10.277 1.00 0.00 O ATOM 943 CB GLN A 60 6.762 -0.158 -9.255 1.00 0.00 C ATOM 944 CG GLN A 60 8.293 -0.078 -9.061 1.00 0.00 C ATOM 945 CD GLN A 60 9.026 0.895 -9.996 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.473 1.890 -10.471 1.00 0.00 O ATOM 947 NE2 GLN A 60 10.303 0.631 -10.232 1.00 0.00 N ATOM 0 H GLN A 60 6.853 0.683 -6.943 1.00 0.00 H new ATOM 0 HA GLN A 60 6.295 1.981 -9.337 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.390 -1.024 -8.707 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.557 -0.337 -10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.497 0.212 -8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.712 -1.074 -9.200 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.736 -0.199 -9.827 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.853 1.258 -10.819 1.00 0.00 H new ATOM 956 N LYS A 61 3.680 0.425 -8.168 1.00 0.00 N ATOM 957 CA LYS A 61 2.251 0.092 -8.352 1.00 0.00 C ATOM 958 C LYS A 61 1.325 1.244 -7.894 1.00 0.00 C ATOM 959 O LYS A 61 0.118 1.214 -8.157 1.00 0.00 O ATOM 960 CB LYS A 61 1.933 -1.225 -7.587 1.00 0.00 C ATOM 961 CG LYS A 61 2.936 -2.375 -7.857 1.00 0.00 C ATOM 962 CD LYS A 61 3.115 -2.690 -9.371 1.00 0.00 C ATOM 963 CE LYS A 61 4.258 -3.686 -9.640 1.00 0.00 C ATOM 964 NZ LYS A 61 4.011 -5.006 -9.013 1.00 0.00 N ATOM 0 H LYS A 61 4.016 0.265 -7.218 1.00 0.00 H new ATOM 0 HA LYS A 61 2.060 -0.052 -9.416 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.917 -1.016 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.932 -1.559 -7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.904 -2.112 -7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.595 -3.274 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.184 -3.097 -9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.312 -1.763 -9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.380 -3.814 -10.716 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.193 -3.275 -9.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.806 -5.643 -9.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.920 -4.890 -7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.133 -5.413 -9.394 1.00 0.00 H new ATOM 978 N LEU A 62 1.903 2.270 -7.239 1.00 0.00 N ATOM 979 CA LEU A 62 1.146 3.428 -6.713 1.00 0.00 C ATOM 980 C LEU A 62 0.940 4.459 -7.837 1.00 0.00 C ATOM 981 O LEU A 62 1.794 5.314 -8.041 1.00 0.00 O ATOM 982 CB LEU A 62 1.900 4.084 -5.512 1.00 0.00 C ATOM 983 CG LEU A 62 2.225 3.149 -4.303 1.00 0.00 C ATOM 984 CD1 LEU A 62 3.072 3.874 -3.238 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.949 2.534 -3.690 1.00 0.00 C ATOM 0 H LEU A 62 2.906 2.321 -7.059 1.00 0.00 H new ATOM 0 HA LEU A 62 0.176 3.082 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.836 4.501 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.301 4.919 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 62 2.823 2.324 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.279 3.193 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.012 4.202 -3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.525 4.740 -2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.221 1.891 -2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.294 3.331 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.430 1.945 -4.446 1.00 0.00 H new ATOM 997 N LYS A 63 -0.166 4.331 -8.598 1.00 0.00 N ATOM 998 CA LYS A 63 -0.502 5.263 -9.704 1.00 0.00 C ATOM 999 C LYS A 63 -1.312 6.460 -9.170 1.00 0.00 C ATOM 1000 O LYS A 63 -1.198 7.581 -9.678 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.305 4.521 -10.809 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.691 5.386 -12.029 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.481 4.623 -13.131 1.00 0.00 C ATOM 1004 CE LYS A 63 -1.622 3.639 -13.957 1.00 0.00 C ATOM 1005 NZ LYS A 63 -1.136 2.464 -13.178 1.00 0.00 N ATOM 0 H LYS A 63 -0.850 3.585 -8.468 1.00 0.00 H new ATOM 0 HA LYS A 63 0.426 5.636 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.716 3.672 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.216 4.118 -10.366 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.291 6.229 -11.686 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.783 5.798 -12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.296 4.072 -12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.934 5.349 -13.807 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.207 3.284 -14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.764 4.174 -14.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.162 1.615 -13.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.160 2.636 -12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.747 2.321 -12.349 1.00 0.00 H new ATOM 1019 N ASN A 64 -2.137 6.197 -8.149 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.984 7.209 -7.485 1.00 0.00 C ATOM 1021 C ASN A 64 -2.999 6.932 -5.971 1.00 0.00 C ATOM 1022 O ASN A 64 -2.439 5.933 -5.499 1.00 0.00 O ATOM 1023 CB ASN A 64 -4.454 7.189 -8.029 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.581 7.304 -9.552 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -4.703 8.396 -10.099 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.546 6.174 -10.249 1.00 0.00 N ATOM 0 H ASN A 64 -2.240 5.263 -7.751 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.565 8.193 -7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.932 6.263 -7.708 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.007 8.009 -7.570 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.621 6.199 -11.266 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.444 5.281 -9.767 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.668 7.826 -5.232 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.889 7.709 -3.778 1.00 0.00 C ATOM 1035 C VAL A 65 -4.871 6.557 -3.450 1.00 0.00 C ATOM 1036 O VAL A 65 -4.924 6.094 -2.313 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.408 9.074 -3.185 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.622 9.002 -1.653 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.439 10.230 -3.542 1.00 0.00 C ATOM 0 H VAL A 65 -4.080 8.669 -5.632 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.933 7.472 -3.311 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.378 9.272 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.980 9.965 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.359 8.232 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.678 8.758 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.816 11.163 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.453 10.019 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.366 10.322 -4.626 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.622 6.078 -4.463 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.456 4.882 -4.303 1.00 0.00 C ATOM 1051 C GLY A 66 -5.596 3.637 -4.114 1.00 0.00 C ATOM 1052 O GLY A 66 -5.930 2.752 -3.313 1.00 0.00 O ATOM 0 H GLY A 66 -5.664 6.501 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.116 5.007 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.093 4.759 -5.179 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.461 3.588 -4.850 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.431 2.544 -4.686 1.00 0.00 C ATOM 1058 C ASP A 67 -2.792 2.628 -3.290 1.00 0.00 C ATOM 1059 O ASP A 67 -2.558 1.594 -2.663 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.334 2.656 -5.771 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.857 2.421 -7.194 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.052 1.252 -7.575 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.075 3.399 -7.941 1.00 0.00 O ATOM 0 H ASP A 67 -4.237 4.272 -5.573 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.925 1.579 -4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.880 3.646 -5.718 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.547 1.933 -5.557 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.511 3.868 -2.810 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.057 4.093 -1.417 1.00 0.00 C ATOM 1070 C LEU A 68 -3.093 3.541 -0.434 1.00 0.00 C ATOM 1071 O LEU A 68 -2.734 2.826 0.478 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.782 5.603 -1.096 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.386 6.172 -1.494 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.757 5.327 -0.890 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.245 6.332 -3.024 1.00 0.00 C ATOM 0 H LEU A 68 -2.591 4.720 -3.365 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.110 3.564 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.545 6.199 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.914 5.750 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.307 7.172 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.717 5.749 -1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.678 5.332 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.684 4.302 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.742 6.731 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.367 5.361 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.010 7.017 -3.390 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.382 3.833 -0.677 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.483 3.406 0.203 1.00 0.00 C ATOM 1089 C ALA A 69 -5.521 1.875 0.334 1.00 0.00 C ATOM 1090 O ALA A 69 -5.803 1.357 1.412 1.00 0.00 O ATOM 1091 CB ALA A 69 -6.822 3.940 -0.310 1.00 0.00 C ATOM 0 H ALA A 69 -4.690 4.371 -1.487 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.305 3.824 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.622 3.613 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.794 5.029 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.005 3.558 -1.314 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.186 1.179 -0.772 1.00 0.00 N ATOM 1098 CA ASP A 70 -5.062 -0.284 -0.795 1.00 0.00 C ATOM 1099 C ASP A 70 -3.885 -0.738 0.086 1.00 0.00 C ATOM 1100 O ASP A 70 -4.097 -1.450 1.063 1.00 0.00 O ATOM 1101 CB ASP A 70 -4.875 -0.814 -2.244 1.00 0.00 C ATOM 1102 CG ASP A 70 -4.775 -2.357 -2.320 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -3.662 -2.916 -2.168 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -5.812 -3.023 -2.517 1.00 0.00 O ATOM 0 H ASP A 70 -4.995 1.620 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.988 -0.700 -0.397 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.712 -0.480 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.973 -0.376 -2.671 1.00 0.00 H new ATOM 1109 N LEU A 71 -2.655 -0.295 -0.255 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.414 -0.802 0.384 1.00 0.00 C ATOM 1111 C LEU A 71 -1.347 -0.443 1.879 1.00 0.00 C ATOM 1112 O LEU A 71 -1.015 -1.302 2.695 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.121 -0.324 -0.359 1.00 0.00 C ATOM 1114 CG LEU A 71 0.320 -1.131 -1.630 1.00 0.00 C ATOM 1115 CD1 LEU A 71 0.391 -2.645 -1.341 1.00 0.00 C ATOM 1116 CD2 LEU A 71 -0.567 -0.824 -2.848 1.00 0.00 C ATOM 0 H LEU A 71 -2.492 0.414 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.455 -1.888 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.266 0.715 -0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.703 -0.341 0.354 1.00 0.00 H new ATOM 0 HG LEU A 71 1.327 -0.800 -1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.699 -3.174 -2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.114 -2.830 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.590 -3.002 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.224 -1.405 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.600 -1.087 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.507 0.239 -3.084 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.651 0.826 2.220 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.735 1.300 3.621 1.00 0.00 C ATOM 1130 C VAL A 72 -2.729 0.418 4.424 1.00 0.00 C ATOM 1131 O VAL A 72 -2.396 -0.039 5.511 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.142 2.833 3.706 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.284 3.305 5.172 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.134 3.738 2.937 1.00 0.00 C ATOM 0 H VAL A 72 -1.846 1.554 1.532 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.743 1.209 4.064 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.116 2.928 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.563 4.358 5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.055 2.717 5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.334 3.173 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.445 4.779 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.139 3.622 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.111 3.446 1.887 1.00 0.00 H new ATOM 1144 N ASP A 73 -3.906 0.121 3.822 1.00 0.00 N ATOM 1145 CA ASP A 73 -4.938 -0.777 4.421 1.00 0.00 C ATOM 1146 C ASP A 73 -4.394 -2.204 4.677 1.00 0.00 C ATOM 1147 O ASP A 73 -4.680 -2.798 5.717 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.178 -0.841 3.482 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.197 -1.949 3.817 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -7.958 -1.794 4.795 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.235 -2.981 3.101 1.00 0.00 O ATOM 0 H ASP A 73 -4.172 0.493 2.910 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.221 -0.361 5.388 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.688 0.122 3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.832 -0.985 2.458 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.616 -2.724 3.712 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.058 -4.103 3.771 1.00 0.00 C ATOM 1158 C LYS A 74 -2.015 -4.232 4.891 1.00 0.00 C ATOM 1159 O LYS A 74 -1.964 -5.238 5.608 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.434 -4.527 2.409 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.406 -4.474 1.214 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.704 -5.282 1.449 1.00 0.00 C ATOM 1163 CE LYS A 74 -5.770 -4.999 0.386 1.00 0.00 C ATOM 1164 NZ LYS A 74 -6.137 -3.568 0.375 1.00 0.00 N ATOM 0 H LYS A 74 -3.353 -2.211 2.871 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.889 -4.774 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.583 -3.880 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.048 -5.542 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.664 -3.435 1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.902 -4.858 0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.470 -6.347 1.451 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.105 -5.042 2.434 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.397 -5.290 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.655 -5.604 0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.873 -3.404 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.498 -3.295 1.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.299 -2.996 0.147 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.208 -3.182 5.046 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.118 -3.131 6.027 1.00 0.00 C ATOM 1180 C LYS A 75 -0.664 -2.788 7.433 1.00 0.00 C ATOM 1181 O LYS A 75 -0.072 -3.176 8.443 1.00 0.00 O ATOM 1182 CB LYS A 75 0.937 -2.107 5.535 1.00 0.00 C ATOM 1183 CG LYS A 75 1.530 -2.454 4.147 1.00 0.00 C ATOM 1184 CD LYS A 75 2.490 -1.375 3.590 1.00 0.00 C ATOM 1185 CE LYS A 75 3.001 -1.720 2.173 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.755 -3.003 2.139 1.00 0.00 N ATOM 0 H LYS A 75 -1.292 -2.332 4.488 1.00 0.00 H new ATOM 0 HA LYS A 75 0.360 -4.107 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.480 -1.119 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.746 -2.051 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.065 -3.401 4.217 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.714 -2.601 3.440 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.977 -0.414 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.340 -1.265 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.154 -1.781 1.489 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.643 -0.915 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.004 -3.234 1.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.624 -2.910 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.165 -3.763 2.534 1.00 0.00 H new ATOM 1200 N LEU A 76 -1.816 -2.082 7.480 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.567 -1.823 8.730 1.00 0.00 C ATOM 1202 C LEU A 76 -3.451 -3.031 9.102 1.00 0.00 C ATOM 1203 O LEU A 76 -3.940 -3.118 10.221 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.444 -0.545 8.602 1.00 0.00 C ATOM 1205 CG LEU A 76 -2.685 0.819 8.523 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -3.675 1.996 8.342 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -1.772 1.029 9.754 1.00 0.00 C ATOM 0 H LEU A 76 -2.252 -1.675 6.652 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.837 -1.665 9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.062 -0.644 7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.121 -0.509 9.456 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.041 0.791 7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.121 2.933 8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.241 1.857 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.362 2.027 9.188 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.259 1.987 9.667 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.377 1.022 10.661 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.036 0.226 9.802 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.719 -3.911 8.120 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.302 -5.248 8.373 1.00 0.00 C ATOM 1221 C ALA A 77 -3.264 -6.148 9.059 1.00 0.00 C ATOM 1222 O ALA A 77 -3.600 -6.976 9.900 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.809 -5.883 7.067 1.00 0.00 C ATOM 0 H ALA A 77 -3.540 -3.720 7.134 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.159 -5.137 9.037 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.233 -6.864 7.280 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.575 -5.245 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.979 -5.990 6.368 1.00 0.00 H new ATOM 1229 N ARG A 78 -1.990 -5.960 8.686 1.00 0.00 N ATOM 1230 CA ARG A 78 -0.861 -6.681 9.303 1.00 0.00 C ATOM 1231 C ARG A 78 -0.494 -6.098 10.678 1.00 0.00 C ATOM 1232 O ARG A 78 0.015 -6.821 11.530 1.00 0.00 O ATOM 1233 CB ARG A 78 0.360 -6.667 8.348 1.00 0.00 C ATOM 1234 CG ARG A 78 0.129 -7.466 7.045 1.00 0.00 C ATOM 1235 CD ARG A 78 -0.157 -8.952 7.330 1.00 0.00 C ATOM 1236 NE ARG A 78 -0.480 -9.722 6.113 1.00 0.00 N ATOM 1237 CZ ARG A 78 -1.037 -10.943 6.103 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -1.355 -11.555 7.239 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -1.279 -11.539 4.949 1.00 0.00 N ATOM 0 H ARG A 78 -1.711 -5.308 7.953 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.168 -7.714 9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.602 -5.635 8.095 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.224 -7.078 8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.708 -7.033 6.497 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.008 -7.381 6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.712 -9.397 7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.987 -9.028 8.032 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.264 -9.294 5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.176 -11.097 8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.778 -12.483 7.217 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.043 -11.071 4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.702 -12.467 4.933 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.757 -4.795 10.888 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.496 -4.119 12.182 1.00 0.00 C ATOM 1255 C LYS A 79 -1.682 -4.314 13.153 1.00 0.00 C ATOM 1256 O LYS A 79 -1.507 -4.831 14.269 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.196 -2.597 11.964 1.00 0.00 C ATOM 1258 CG LYS A 79 1.232 -2.290 11.441 1.00 0.00 C ATOM 1259 CD LYS A 79 2.324 -2.809 12.412 1.00 0.00 C ATOM 1260 CE LYS A 79 3.738 -2.327 12.061 1.00 0.00 C ATOM 1261 NZ LYS A 79 4.187 -2.781 10.720 1.00 0.00 N ATOM 0 H LYS A 79 -1.153 -4.182 10.176 1.00 0.00 H new ATOM 0 HA LYS A 79 0.386 -4.576 12.631 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.922 -2.194 11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.344 -2.072 12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.367 -2.750 10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.347 -1.214 11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.081 -2.487 13.425 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.310 -3.899 12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.765 -1.238 12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.437 -2.689 12.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.036 -3.374 10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.430 -3.334 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.410 -1.954 10.130 1.00 0.00 H new