USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=20 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 Set 1.1: A 27 SER OG : rot 90:sc= 0.197 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 165:sc= 0.541 (180deg=0) USER MOD Set 2.1: A 23 THR OG1 : rot -13:sc= 0.939 USER MOD Set 2.2: A 26 THR OG1 : rot -146:sc= 1.48 USER MOD Single : A 3 THR OG1 : rot -150:sc= -0.0205 USER MOD Single : A 8 THR OG1 : rot 60:sc= 1.14 USER MOD Single : A 13 GLN : amide:sc= -0.246 X(o=-0.25,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0289 USER MOD Single : A 38 SER OG : rot -175:sc= 0.9 USER MOD Single : A 39 HIS : no HE2:sc= -2.16 X(o=-2.2,f=-2.4) USER MOD Single : A 40 MET CE :methyl -172:sc= -0.0178 (180deg=-0.151) USER MOD Single : A 41 ASN : amide:sc= -0.506 X(o=-0.51,f=-0.26) USER MOD Single : A 45 SER OG : rot 80:sc= 0.555 USER MOD Single : A 49 HIS :FLIP no HE2:sc= 0.101 F(o=-0.43,f=0.1) USER MOD Single : A 50 TYR OH : rot 97:sc= -0.0189 USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= 1.1 (180deg=0.727) USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0.575 (180deg=0.561) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0975 F(o=-3!,f=-0.097) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.341 K(o=-0.34,f=-3!) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc=-0.00584 (180deg=-0.083) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= 0.552 (180deg=0.273) USER MOD Single : A 79 LYS NZ :NH3+ -109:sc= 0.941 (180deg=-0.125) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -11.140 4.631 6.919 1.00 0.00 N ATOM 21 CA PRO A 2 -10.944 6.073 6.701 1.00 0.00 C ATOM 22 C PRO A 2 -9.594 6.347 6.028 1.00 0.00 C ATOM 23 O PRO A 2 -8.838 7.216 6.454 1.00 0.00 O ATOM 24 CB PRO A 2 -10.997 6.592 8.155 1.00 0.00 C ATOM 25 CG PRO A 2 -10.292 5.525 8.951 1.00 0.00 C ATOM 26 CD PRO A 2 -10.455 4.219 8.170 1.00 0.00 C ATOM 0 HA PRO A 2 -11.669 6.546 6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.499 7.557 8.252 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.024 6.728 8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.238 5.771 9.080 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -10.723 5.437 9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -9.491 3.755 7.963 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.045 3.492 8.727 1.00 0.00 H new ATOM 34 N THR A 3 -9.336 5.599 4.951 1.00 0.00 N ATOM 35 CA THR A 3 -8.041 5.571 4.270 1.00 0.00 C ATOM 36 C THR A 3 -7.701 6.951 3.669 1.00 0.00 C ATOM 37 O THR A 3 -6.772 7.611 4.141 1.00 0.00 O ATOM 38 CB THR A 3 -8.047 4.452 3.185 1.00 0.00 C ATOM 39 OG1 THR A 3 -9.138 4.664 2.273 1.00 0.00 O ATOM 40 CG2 THR A 3 -8.184 3.052 3.819 1.00 0.00 C ATOM 0 H THR A 3 -10.031 4.988 4.523 1.00 0.00 H new ATOM 0 HA THR A 3 -7.260 5.342 4.995 1.00 0.00 H new ATOM 0 HB THR A 3 -7.097 4.499 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.444 3.801 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.185 2.296 3.034 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.346 2.874 4.493 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.118 2.996 4.378 1.00 0.00 H new ATOM 48 N LEU A 4 -8.519 7.408 2.694 1.00 0.00 N ATOM 49 CA LEU A 4 -8.373 8.738 2.061 1.00 0.00 C ATOM 50 C LEU A 4 -8.518 9.859 3.107 1.00 0.00 C ATOM 51 O LEU A 4 -7.788 10.842 3.062 1.00 0.00 O ATOM 52 CB LEU A 4 -9.437 8.948 0.954 1.00 0.00 C ATOM 53 CG LEU A 4 -9.433 7.932 -0.225 1.00 0.00 C ATOM 54 CD1 LEU A 4 -10.601 8.210 -1.193 1.00 0.00 C ATOM 55 CD2 LEU A 4 -8.077 7.934 -0.969 1.00 0.00 C ATOM 0 H LEU A 4 -9.299 6.865 2.324 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.378 8.778 1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.422 8.923 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.305 9.948 0.541 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.572 6.936 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.577 7.487 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.546 8.122 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.506 9.217 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.109 7.213 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.884 8.929 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.281 7.661 -0.276 1.00 0.00 H new ATOM 67 N ASP A 5 -9.474 9.668 4.046 1.00 0.00 N ATOM 68 CA ASP A 5 -9.766 10.626 5.146 1.00 0.00 C ATOM 69 C ASP A 5 -8.521 10.919 5.996 1.00 0.00 C ATOM 70 O ASP A 5 -8.272 12.068 6.374 1.00 0.00 O ATOM 71 CB ASP A 5 -10.899 10.085 6.064 1.00 0.00 C ATOM 72 CG ASP A 5 -12.234 9.924 5.329 1.00 0.00 C ATOM 73 OD1 ASP A 5 -12.451 8.869 4.690 1.00 0.00 O ATOM 74 OD2 ASP A 5 -13.062 10.861 5.358 1.00 0.00 O ATOM 0 H ASP A 5 -10.070 8.840 4.065 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.089 11.555 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.598 9.122 6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.033 10.764 6.906 1.00 0.00 H new ATOM 79 N ALA A 6 -7.754 9.858 6.284 1.00 0.00 N ATOM 80 CA ALA A 6 -6.510 9.934 7.071 1.00 0.00 C ATOM 81 C ALA A 6 -5.344 10.461 6.217 1.00 0.00 C ATOM 82 O ALA A 6 -4.472 11.170 6.724 1.00 0.00 O ATOM 83 CB ALA A 6 -6.174 8.552 7.668 1.00 0.00 C ATOM 0 H ALA A 6 -7.980 8.913 5.975 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.663 10.638 7.888 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.253 8.620 8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.988 8.228 8.317 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.043 7.830 6.862 1.00 0.00 H new ATOM 89 N LEU A 7 -5.344 10.110 4.915 1.00 0.00 N ATOM 90 CA LEU A 7 -4.292 10.529 3.967 1.00 0.00 C ATOM 91 C LEU A 7 -4.396 12.036 3.649 1.00 0.00 C ATOM 92 O LEU A 7 -3.377 12.682 3.455 1.00 0.00 O ATOM 93 CB LEU A 7 -4.358 9.695 2.653 1.00 0.00 C ATOM 94 CG LEU A 7 -4.021 8.172 2.780 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.197 7.441 1.426 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.606 7.957 3.364 1.00 0.00 C ATOM 0 H LEU A 7 -6.070 9.531 4.493 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.329 10.345 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.361 9.790 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.671 10.138 1.932 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.732 7.733 3.480 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.955 6.385 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.229 7.540 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.531 7.882 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.402 6.889 3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.868 8.422 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.549 8.408 4.354 1.00 0.00 H new ATOM 108 N THR A 8 -5.630 12.587 3.634 1.00 0.00 N ATOM 109 CA THR A 8 -5.885 13.998 3.246 1.00 0.00 C ATOM 110 C THR A 8 -5.008 15.014 4.062 1.00 0.00 C ATOM 111 O THR A 8 -4.263 15.769 3.436 1.00 0.00 O ATOM 112 CB THR A 8 -7.422 14.358 3.306 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.161 13.523 2.393 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.703 15.826 2.959 1.00 0.00 C ATOM 0 H THR A 8 -6.474 12.073 3.888 1.00 0.00 H new ATOM 0 HA THR A 8 -5.576 14.094 2.205 1.00 0.00 H new ATOM 0 HB THR A 8 -7.739 14.187 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.040 12.582 2.639 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.775 16.015 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.182 16.473 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.352 16.035 1.948 1.00 0.00 H new ATOM 122 N PRO A 9 -5.019 15.014 5.452 1.00 0.00 N ATOM 123 CA PRO A 9 -4.157 15.925 6.253 1.00 0.00 C ATOM 124 C PRO A 9 -2.640 15.623 6.101 1.00 0.00 C ATOM 125 O PRO A 9 -1.815 16.528 6.282 1.00 0.00 O ATOM 126 CB PRO A 9 -4.643 15.701 7.709 1.00 0.00 C ATOM 127 CG PRO A 9 -5.214 14.320 7.704 1.00 0.00 C ATOM 128 CD PRO A 9 -5.860 14.166 6.347 1.00 0.00 C ATOM 0 HA PRO A 9 -4.248 16.960 5.924 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.821 15.788 8.420 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.392 16.439 7.996 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.437 13.571 7.858 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.943 14.192 8.504 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.865 13.125 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.897 14.502 6.357 1.00 0.00 H new ATOM 136 N ILE A 10 -2.286 14.357 5.759 1.00 0.00 N ATOM 137 CA ILE A 10 -0.873 13.948 5.538 1.00 0.00 C ATOM 138 C ILE A 10 -0.305 14.675 4.309 1.00 0.00 C ATOM 139 O ILE A 10 0.729 15.324 4.400 1.00 0.00 O ATOM 140 CB ILE A 10 -0.715 12.388 5.345 1.00 0.00 C ATOM 141 CG1 ILE A 10 -1.257 11.611 6.584 1.00 0.00 C ATOM 142 CG2 ILE A 10 0.756 11.987 5.033 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.514 11.862 7.886 1.00 0.00 C ATOM 0 H ILE A 10 -2.959 13.602 5.630 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.317 14.225 6.434 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.316 12.108 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.305 11.874 6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.223 10.544 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.820 10.906 4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.080 12.478 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.400 12.295 5.857 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.969 11.275 8.684 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.530 11.570 7.771 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.569 12.921 8.138 1.00 0.00 H new ATOM 155 N PHE A 11 -1.031 14.579 3.182 1.00 0.00 N ATOM 156 CA PHE A 11 -0.639 15.199 1.901 1.00 0.00 C ATOM 157 C PHE A 11 -0.631 16.737 2.033 1.00 0.00 C ATOM 158 O PHE A 11 0.286 17.405 1.548 1.00 0.00 O ATOM 159 CB PHE A 11 -1.600 14.748 0.757 1.00 0.00 C ATOM 160 CG PHE A 11 -1.441 13.287 0.295 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.514 12.225 1.195 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.230 12.977 -1.049 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.383 10.913 0.776 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.100 11.669 -1.466 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.178 10.634 -0.556 1.00 0.00 C ATOM 0 H PHE A 11 -1.912 14.067 3.132 1.00 0.00 H new ATOM 0 HA PHE A 11 0.368 14.869 1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.627 14.896 1.090 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.446 15.401 -0.102 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.676 12.431 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.167 13.775 -1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.442 10.108 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -0.936 11.453 -2.511 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.079 9.611 -0.887 1.00 0.00 H new ATOM 175 N ARG A 12 -1.641 17.274 2.742 1.00 0.00 N ATOM 176 CA ARG A 12 -1.752 18.726 3.013 1.00 0.00 C ATOM 177 C ARG A 12 -0.553 19.258 3.825 1.00 0.00 C ATOM 178 O ARG A 12 -0.201 20.432 3.710 1.00 0.00 O ATOM 179 CB ARG A 12 -3.086 19.042 3.736 1.00 0.00 C ATOM 180 CG ARG A 12 -4.342 18.844 2.855 1.00 0.00 C ATOM 181 CD ARG A 12 -5.645 19.154 3.605 1.00 0.00 C ATOM 182 NE ARG A 12 -6.820 18.991 2.740 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.015 19.560 2.931 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.210 20.414 3.933 1.00 0.00 N ATOM 185 NH2 ARG A 12 -8.992 19.309 2.079 1.00 0.00 N ATOM 0 H ARG A 12 -2.400 16.722 3.142 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.742 19.239 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.169 18.406 4.617 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.061 20.073 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.271 19.487 1.978 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.370 17.815 2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.734 18.494 4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.612 20.175 3.986 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.716 18.391 1.922 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.443 20.641 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.126 20.841 4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.830 18.687 1.287 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.908 19.737 2.213 1.00 0.00 H new ATOM 199 N GLN A 13 0.056 18.387 4.649 1.00 0.00 N ATOM 200 CA GLN A 13 1.279 18.715 5.400 1.00 0.00 C ATOM 201 C GLN A 13 2.519 18.640 4.476 1.00 0.00 C ATOM 202 O GLN A 13 3.283 19.609 4.382 1.00 0.00 O ATOM 203 CB GLN A 13 1.434 17.757 6.625 1.00 0.00 C ATOM 204 CG GLN A 13 2.687 18.013 7.507 1.00 0.00 C ATOM 205 CD GLN A 13 2.770 19.433 8.105 1.00 0.00 C ATOM 206 OE1 GLN A 13 3.857 19.976 8.310 1.00 0.00 O ATOM 207 NE2 GLN A 13 1.632 20.038 8.423 1.00 0.00 N ATOM 0 H GLN A 13 -0.285 17.440 4.812 1.00 0.00 H new ATOM 0 HA GLN A 13 1.199 19.736 5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.545 17.844 7.250 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.468 16.730 6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.696 17.289 8.321 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.580 17.832 6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.741 19.574 8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.649 20.967 8.844 1.00 0.00 H new ATOM 216 N VAL A 14 2.680 17.484 3.792 1.00 0.00 N ATOM 217 CA VAL A 14 3.834 17.179 2.901 1.00 0.00 C ATOM 218 C VAL A 14 4.081 18.286 1.857 1.00 0.00 C ATOM 219 O VAL A 14 5.172 18.874 1.791 1.00 0.00 O ATOM 220 CB VAL A 14 3.603 15.802 2.161 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.661 15.532 1.059 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.559 14.636 3.176 1.00 0.00 C ATOM 0 H VAL A 14 2.004 16.722 3.841 1.00 0.00 H new ATOM 0 HA VAL A 14 4.717 17.119 3.537 1.00 0.00 H new ATOM 0 HB VAL A 14 2.637 15.870 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.454 14.573 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.618 16.324 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.655 15.508 1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.399 13.697 2.645 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.503 14.590 3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.743 14.798 3.881 1.00 0.00 H new ATOM 232 N PHE A 15 3.045 18.583 1.074 1.00 0.00 N ATOM 233 CA PHE A 15 3.121 19.564 -0.021 1.00 0.00 C ATOM 234 C PHE A 15 2.922 20.998 0.518 1.00 0.00 C ATOM 235 O PHE A 15 3.187 21.975 -0.198 1.00 0.00 O ATOM 236 CB PHE A 15 2.074 19.219 -1.108 1.00 0.00 C ATOM 237 CG PHE A 15 2.184 17.791 -1.653 1.00 0.00 C ATOM 238 CD1 PHE A 15 3.200 17.439 -2.533 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.282 16.799 -1.266 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.301 16.147 -3.005 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.391 15.509 -1.736 1.00 0.00 C ATOM 242 CZ PHE A 15 2.400 15.183 -2.606 1.00 0.00 C ATOM 0 H PHE A 15 2.126 18.153 1.177 1.00 0.00 H new ATOM 0 HA PHE A 15 4.112 19.519 -0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.076 19.362 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.180 19.921 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.916 18.183 -2.850 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.482 17.048 -0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.092 15.888 -3.693 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.684 14.756 -1.420 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.488 14.173 -2.978 1.00 0.00 H new ATOM 252 N ASP A 16 2.463 21.094 1.792 1.00 0.00 N ATOM 253 CA ASP A 16 2.223 22.361 2.506 1.00 0.00 C ATOM 254 C ASP A 16 1.164 23.191 1.766 1.00 0.00 C ATOM 255 O ASP A 16 1.443 24.257 1.200 1.00 0.00 O ATOM 256 CB ASP A 16 3.545 23.141 2.760 1.00 0.00 C ATOM 257 CG ASP A 16 3.356 24.403 3.627 1.00 0.00 C ATOM 258 OD1 ASP A 16 3.169 24.263 4.854 1.00 0.00 O ATOM 259 OD2 ASP A 16 3.404 25.542 3.097 1.00 0.00 O ATOM 0 H ASP A 16 2.247 20.273 2.357 1.00 0.00 H new ATOM 0 HA ASP A 16 1.825 22.136 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 16 4.261 22.479 3.247 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.978 23.429 1.802 1.00 0.00 H new ATOM 264 N ASP A 17 -0.048 22.628 1.732 1.00 0.00 N ATOM 265 CA ASP A 17 -1.209 23.237 1.090 1.00 0.00 C ATOM 266 C ASP A 17 -2.485 22.530 1.572 1.00 0.00 C ATOM 267 O ASP A 17 -2.662 21.337 1.336 1.00 0.00 O ATOM 268 CB ASP A 17 -1.104 23.179 -0.461 1.00 0.00 C ATOM 269 CG ASP A 17 -2.315 23.824 -1.151 1.00 0.00 C ATOM 270 OD1 ASP A 17 -2.506 25.049 -1.007 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.095 23.121 -1.816 1.00 0.00 O ATOM 0 H ASP A 17 -0.249 21.723 2.157 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.246 24.290 1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.194 23.686 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.018 22.140 -0.779 1.00 0.00 H new ATOM 276 N ASP A 18 -3.380 23.290 2.226 1.00 0.00 N ATOM 277 CA ASP A 18 -4.639 22.767 2.792 1.00 0.00 C ATOM 278 C ASP A 18 -5.753 22.744 1.715 1.00 0.00 C ATOM 279 O ASP A 18 -6.827 22.180 1.934 1.00 0.00 O ATOM 280 CB ASP A 18 -5.060 23.613 4.031 1.00 0.00 C ATOM 281 CG ASP A 18 -6.284 23.041 4.781 1.00 0.00 C ATOM 282 OD1 ASP A 18 -6.131 22.040 5.526 1.00 0.00 O ATOM 283 OD2 ASP A 18 -7.407 23.572 4.623 1.00 0.00 O ATOM 0 H ASP A 18 -3.251 24.290 2.379 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.481 21.740 3.122 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.218 23.676 4.721 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -5.284 24.629 3.708 1.00 0.00 H new ATOM 288 N SER A 19 -5.485 23.341 0.543 1.00 0.00 N ATOM 289 CA SER A 19 -6.443 23.361 -0.577 1.00 0.00 C ATOM 290 C SER A 19 -6.436 22.024 -1.355 1.00 0.00 C ATOM 291 O SER A 19 -7.312 21.794 -2.197 1.00 0.00 O ATOM 292 CB SER A 19 -6.136 24.557 -1.501 1.00 0.00 C ATOM 293 OG SER A 19 -6.149 25.772 -0.769 1.00 0.00 O ATOM 0 H SER A 19 -4.607 23.820 0.344 1.00 0.00 H new ATOM 0 HA SER A 19 -7.448 23.482 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.162 24.420 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.873 24.602 -2.303 1.00 0.00 H new ATOM 0 HG SER A 19 -5.951 26.519 -1.371 1.00 0.00 H new ATOM 299 N ILE A 20 -5.436 21.158 -1.071 1.00 0.00 N ATOM 300 CA ILE A 20 -5.370 19.788 -1.619 1.00 0.00 C ATOM 301 C ILE A 20 -6.611 18.975 -1.198 1.00 0.00 C ATOM 302 O ILE A 20 -6.839 18.743 -0.011 1.00 0.00 O ATOM 303 CB ILE A 20 -4.068 19.033 -1.148 1.00 0.00 C ATOM 304 CG1 ILE A 20 -2.793 19.790 -1.618 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.041 17.551 -1.629 1.00 0.00 C ATOM 306 CD1 ILE A 20 -1.487 19.206 -1.118 1.00 0.00 C ATOM 0 H ILE A 20 -4.655 21.391 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.343 19.878 -2.705 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.082 19.016 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.776 19.802 -2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.861 20.827 -1.289 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.126 17.072 -1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.904 17.022 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.074 17.521 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.655 19.799 -1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.476 19.219 -0.028 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.390 18.179 -1.469 1.00 0.00 H new ATOM 318 N VAL A 21 -7.400 18.546 -2.186 1.00 0.00 N ATOM 319 CA VAL A 21 -8.588 17.713 -1.975 1.00 0.00 C ATOM 320 C VAL A 21 -8.353 16.405 -2.744 1.00 0.00 C ATOM 321 O VAL A 21 -8.355 16.394 -3.979 1.00 0.00 O ATOM 322 CB VAL A 21 -9.909 18.430 -2.456 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.150 17.521 -2.276 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.105 19.785 -1.719 1.00 0.00 C ATOM 0 H VAL A 21 -7.231 18.770 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.729 17.522 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.802 18.632 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.040 18.049 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.021 16.610 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.263 17.264 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.022 20.260 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.173 19.609 -0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.257 20.438 -1.926 1.00 0.00 H new ATOM 334 N LEU A 22 -8.078 15.324 -1.999 1.00 0.00 N ATOM 335 CA LEU A 22 -7.739 14.018 -2.579 1.00 0.00 C ATOM 336 C LEU A 22 -8.983 13.295 -3.100 1.00 0.00 C ATOM 337 O LEU A 22 -10.052 13.344 -2.493 1.00 0.00 O ATOM 338 CB LEU A 22 -7.023 13.116 -1.537 1.00 0.00 C ATOM 339 CG LEU A 22 -5.634 13.612 -1.029 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.038 12.615 -0.012 1.00 0.00 C ATOM 341 CD2 LEU A 22 -4.656 13.864 -2.207 1.00 0.00 C ATOM 0 H LEU A 22 -8.085 15.331 -0.979 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.067 14.207 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.681 13.001 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.893 12.126 -1.974 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.784 14.565 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.069 12.979 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.711 12.519 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.912 11.642 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.698 14.209 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.510 12.938 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.072 14.623 -2.870 1.00 0.00 H new ATOM 353 N THR A 23 -8.801 12.624 -4.230 1.00 0.00 N ATOM 354 CA THR A 23 -9.714 11.608 -4.752 1.00 0.00 C ATOM 355 C THR A 23 -8.882 10.328 -4.913 1.00 0.00 C ATOM 356 O THR A 23 -7.663 10.342 -4.652 1.00 0.00 O ATOM 357 CB THR A 23 -10.357 12.029 -6.120 1.00 0.00 C ATOM 358 OG1 THR A 23 -9.328 12.335 -7.076 1.00 0.00 O ATOM 359 CG2 THR A 23 -11.298 13.243 -5.968 1.00 0.00 C ATOM 0 H THR A 23 -7.989 12.774 -4.829 1.00 0.00 H new ATOM 0 HA THR A 23 -10.550 11.465 -4.067 1.00 0.00 H new ATOM 0 HB THR A 23 -10.952 11.186 -6.472 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.468 12.420 -6.615 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.721 13.500 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.103 12.995 -5.276 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.736 14.093 -5.581 1.00 0.00 H new ATOM 367 N ARG A 24 -9.507 9.224 -5.323 1.00 0.00 N ATOM 368 CA ARG A 24 -8.770 7.979 -5.559 1.00 0.00 C ATOM 369 C ARG A 24 -7.851 8.112 -6.780 1.00 0.00 C ATOM 370 O ARG A 24 -6.668 7.827 -6.689 1.00 0.00 O ATOM 371 CB ARG A 24 -9.727 6.775 -5.693 1.00 0.00 C ATOM 372 CG ARG A 24 -10.588 6.560 -4.433 1.00 0.00 C ATOM 373 CD ARG A 24 -11.319 5.220 -4.408 1.00 0.00 C ATOM 374 NE ARG A 24 -12.189 5.030 -5.575 1.00 0.00 N ATOM 375 CZ ARG A 24 -12.336 3.882 -6.254 1.00 0.00 C ATOM 376 NH1 ARG A 24 -11.658 2.784 -5.911 1.00 0.00 N ATOM 377 NH2 ARG A 24 -13.174 3.840 -7.275 1.00 0.00 N ATOM 0 H ARG A 24 -10.510 9.164 -5.497 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.140 7.791 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.379 6.928 -6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.146 5.874 -5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.950 6.632 -3.552 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.320 7.364 -4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.588 4.412 -4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.917 5.153 -3.499 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.725 5.836 -5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.014 2.808 -5.120 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.784 1.921 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.699 4.674 -7.538 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.295 2.974 -7.800 1.00 0.00 H new ATOM 391 N GLU A 25 -8.373 8.669 -7.882 1.00 0.00 N ATOM 392 CA GLU A 25 -7.636 8.745 -9.162 1.00 0.00 C ATOM 393 C GLU A 25 -6.578 9.887 -9.170 1.00 0.00 C ATOM 394 O GLU A 25 -5.949 10.136 -10.207 1.00 0.00 O ATOM 395 CB GLU A 25 -8.649 8.886 -10.333 1.00 0.00 C ATOM 396 CG GLU A 25 -9.592 7.669 -10.486 1.00 0.00 C ATOM 397 CD GLU A 25 -10.671 7.847 -11.574 1.00 0.00 C ATOM 398 OE1 GLU A 25 -10.366 7.642 -12.772 1.00 0.00 O ATOM 399 OE2 GLU A 25 -11.829 8.195 -11.240 1.00 0.00 O ATOM 0 H GLU A 25 -9.307 9.077 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.073 7.820 -9.290 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.249 9.783 -10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.099 9.028 -11.263 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.996 6.787 -10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.081 7.479 -9.531 1.00 0.00 H new ATOM 406 N THR A 26 -6.382 10.558 -8.008 1.00 0.00 N ATOM 407 CA THR A 26 -5.319 11.565 -7.808 1.00 0.00 C ATOM 408 C THR A 26 -3.917 10.931 -7.942 1.00 0.00 C ATOM 409 O THR A 26 -3.401 10.317 -7.006 1.00 0.00 O ATOM 410 CB THR A 26 -5.471 12.259 -6.408 1.00 0.00 C ATOM 411 OG1 THR A 26 -6.735 12.924 -6.343 1.00 0.00 O ATOM 412 CG2 THR A 26 -4.350 13.277 -6.111 1.00 0.00 C ATOM 0 H THR A 26 -6.962 10.412 -7.181 1.00 0.00 H new ATOM 0 HA THR A 26 -5.426 12.320 -8.586 1.00 0.00 H new ATOM 0 HB THR A 26 -5.401 11.473 -5.656 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.649 13.738 -5.804 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.513 13.721 -5.129 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.385 12.770 -6.124 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.359 14.060 -6.869 1.00 0.00 H new ATOM 420 N SER A 27 -3.345 11.031 -9.141 1.00 0.00 N ATOM 421 CA SER A 27 -1.972 10.592 -9.419 1.00 0.00 C ATOM 422 C SER A 27 -1.012 11.777 -9.219 1.00 0.00 C ATOM 423 O SER A 27 -1.441 12.896 -8.904 1.00 0.00 O ATOM 424 CB SER A 27 -1.896 10.046 -10.866 1.00 0.00 C ATOM 425 OG SER A 27 -2.927 9.091 -11.102 1.00 0.00 O ATOM 0 H SER A 27 -3.822 11.421 -9.954 1.00 0.00 H new ATOM 0 HA SER A 27 -1.681 9.795 -8.735 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.987 10.869 -11.575 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.922 9.586 -11.035 1.00 0.00 H new ATOM 0 HG SER A 27 -3.725 9.548 -11.439 1.00 0.00 H new ATOM 431 N ALA A 28 0.295 11.529 -9.374 1.00 0.00 N ATOM 432 CA ALA A 28 1.299 12.608 -9.402 1.00 0.00 C ATOM 433 C ALA A 28 1.106 13.580 -10.588 1.00 0.00 C ATOM 434 O ALA A 28 1.700 14.661 -10.606 1.00 0.00 O ATOM 435 CB ALA A 28 2.690 12.003 -9.408 1.00 0.00 C ATOM 0 H ALA A 28 0.685 10.593 -9.482 1.00 0.00 H new ATOM 0 HA ALA A 28 1.166 13.208 -8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.433 12.800 -9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.829 11.401 -8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.809 11.373 -10.289 1.00 0.00 H new ATOM 441 N ASN A 29 0.281 13.175 -11.574 1.00 0.00 N ATOM 442 CA ASN A 29 -0.123 14.026 -12.711 1.00 0.00 C ATOM 443 C ASN A 29 -1.203 15.042 -12.271 1.00 0.00 C ATOM 444 O ASN A 29 -1.275 16.156 -12.807 1.00 0.00 O ATOM 445 CB ASN A 29 -0.650 13.140 -13.866 1.00 0.00 C ATOM 446 CG ASN A 29 -0.961 13.912 -15.158 1.00 0.00 C ATOM 447 OD1 ASN A 29 -0.083 14.111 -16.000 1.00 0.00 O ATOM 448 ND2 ASN A 29 -2.208 14.341 -15.334 1.00 0.00 N ATOM 0 H ASN A 29 -0.127 12.241 -11.604 1.00 0.00 H new ATOM 0 HA ASN A 29 0.745 14.584 -13.061 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.089 12.370 -14.085 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.554 12.629 -13.534 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.458 14.849 -16.183 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.914 14.162 -14.620 1.00 0.00 H new ATOM 455 N ASP A 30 -2.033 14.644 -11.282 1.00 0.00 N ATOM 456 CA ASP A 30 -3.129 15.480 -10.733 1.00 0.00 C ATOM 457 C ASP A 30 -2.573 16.679 -9.945 1.00 0.00 C ATOM 458 O ASP A 30 -3.176 17.757 -9.922 1.00 0.00 O ATOM 459 CB ASP A 30 -4.039 14.615 -9.819 1.00 0.00 C ATOM 460 CG ASP A 30 -5.215 15.394 -9.200 1.00 0.00 C ATOM 461 OD1 ASP A 30 -6.260 15.533 -9.866 1.00 0.00 O ATOM 462 OD2 ASP A 30 -5.102 15.876 -8.052 1.00 0.00 O ATOM 0 H ASP A 30 -1.963 13.728 -10.838 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.715 15.869 -11.566 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.433 13.780 -10.399 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.435 14.190 -9.018 1.00 0.00 H new ATOM 467 N ILE A 31 -1.399 16.486 -9.325 1.00 0.00 N ATOM 468 CA ILE A 31 -0.751 17.498 -8.478 1.00 0.00 C ATOM 469 C ILE A 31 0.580 17.873 -9.150 1.00 0.00 C ATOM 470 O ILE A 31 1.493 17.050 -9.220 1.00 0.00 O ATOM 471 CB ILE A 31 -0.522 16.973 -7.002 1.00 0.00 C ATOM 472 CG1 ILE A 31 -1.889 16.603 -6.324 1.00 0.00 C ATOM 473 CG2 ILE A 31 0.271 18.002 -6.149 1.00 0.00 C ATOM 474 CD1 ILE A 31 -1.792 16.122 -4.880 1.00 0.00 C ATOM 0 H ILE A 31 -0.869 15.617 -9.398 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.394 18.374 -8.387 1.00 0.00 H new ATOM 0 HB ILE A 31 0.081 16.067 -7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.539 17.477 -6.355 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.371 15.826 -6.917 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.410 17.609 -5.142 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.244 18.181 -6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.284 18.939 -6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.789 15.893 -4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.173 15.226 -4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.344 16.903 -4.266 1.00 0.00 H new ATOM 486 N ASP A 32 0.661 19.112 -9.677 1.00 0.00 N ATOM 487 CA ASP A 32 1.841 19.599 -10.436 1.00 0.00 C ATOM 488 C ASP A 32 3.079 19.742 -9.538 1.00 0.00 C ATOM 489 O ASP A 32 4.212 19.665 -10.018 1.00 0.00 O ATOM 490 CB ASP A 32 1.537 20.947 -11.143 1.00 0.00 C ATOM 491 CG ASP A 32 0.404 20.834 -12.175 1.00 0.00 C ATOM 492 OD1 ASP A 32 0.593 20.159 -13.210 1.00 0.00 O ATOM 493 OD2 ASP A 32 -0.689 21.398 -11.957 1.00 0.00 O ATOM 0 H ASP A 32 -0.084 19.804 -9.591 1.00 0.00 H new ATOM 0 HA ASP A 32 2.060 18.848 -11.195 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.268 21.692 -10.395 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.440 21.304 -11.638 1.00 0.00 H new ATOM 498 N ALA A 33 2.844 19.962 -8.240 1.00 0.00 N ATOM 499 CA ALA A 33 3.913 20.053 -7.233 1.00 0.00 C ATOM 500 C ALA A 33 4.451 18.662 -6.818 1.00 0.00 C ATOM 501 O ALA A 33 5.491 18.582 -6.172 1.00 0.00 O ATOM 502 CB ALA A 33 3.401 20.821 -6.003 1.00 0.00 C ATOM 0 H ALA A 33 1.907 20.082 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 33 4.747 20.593 -7.682 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.195 20.887 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 33 3.099 21.825 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.546 20.296 -5.576 1.00 0.00 H new ATOM 508 N TRP A 34 3.745 17.574 -7.198 1.00 0.00 N ATOM 509 CA TRP A 34 4.089 16.193 -6.784 1.00 0.00 C ATOM 510 C TRP A 34 5.194 15.606 -7.697 1.00 0.00 C ATOM 511 O TRP A 34 4.939 14.742 -8.541 1.00 0.00 O ATOM 512 CB TRP A 34 2.796 15.318 -6.783 1.00 0.00 C ATOM 513 CG TRP A 34 2.840 14.020 -6.000 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.926 13.397 -5.444 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.711 13.190 -5.685 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.537 12.239 -4.819 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.186 12.090 -4.955 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.344 13.272 -5.962 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.349 11.082 -4.495 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.490 12.271 -5.505 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.015 11.188 -4.780 1.00 0.00 C ATOM 0 H TRP A 34 2.922 17.627 -7.799 1.00 0.00 H new ATOM 0 HA TRP A 34 4.493 16.202 -5.772 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.979 15.923 -6.390 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.548 15.081 -7.817 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.941 13.764 -5.491 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.157 11.593 -4.331 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.054 14.104 -6.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.737 10.245 -3.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.549 12.326 -5.711 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.662 10.419 -4.438 1.00 0.00 H new ATOM 532 N ASP A 35 6.419 16.141 -7.532 1.00 0.00 N ATOM 533 CA ASP A 35 7.650 15.612 -8.156 1.00 0.00 C ATOM 534 C ASP A 35 8.067 14.296 -7.456 1.00 0.00 C ATOM 535 O ASP A 35 7.538 13.969 -6.393 1.00 0.00 O ATOM 536 CB ASP A 35 8.774 16.692 -8.053 1.00 0.00 C ATOM 537 CG ASP A 35 10.094 16.285 -8.735 1.00 0.00 C ATOM 538 OD1 ASP A 35 10.161 16.321 -9.978 1.00 0.00 O ATOM 539 OD2 ASP A 35 11.046 15.874 -8.036 1.00 0.00 O ATOM 0 H ASP A 35 6.585 16.965 -6.954 1.00 0.00 H new ATOM 0 HA ASP A 35 7.475 15.389 -9.209 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.416 17.619 -8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.969 16.900 -7.001 1.00 0.00 H new ATOM 544 N SER A 36 9.010 13.544 -8.063 1.00 0.00 N ATOM 545 CA SER A 36 9.593 12.312 -7.481 1.00 0.00 C ATOM 546 C SER A 36 10.143 12.550 -6.046 1.00 0.00 C ATOM 547 O SER A 36 10.040 11.680 -5.176 1.00 0.00 O ATOM 548 CB SER A 36 10.725 11.803 -8.398 1.00 0.00 C ATOM 549 OG SER A 36 10.390 11.957 -9.788 1.00 0.00 O ATOM 0 H SER A 36 9.393 13.776 -8.980 1.00 0.00 H new ATOM 0 HA SER A 36 8.802 11.566 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.643 12.350 -8.182 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.922 10.752 -8.185 1.00 0.00 H new ATOM 0 HG SER A 36 11.129 11.627 -10.341 1.00 0.00 H new ATOM 554 N LEU A 37 10.736 13.741 -5.845 1.00 0.00 N ATOM 555 CA LEU A 37 11.248 14.205 -4.537 1.00 0.00 C ATOM 556 C LEU A 37 10.081 14.361 -3.534 1.00 0.00 C ATOM 557 O LEU A 37 10.211 14.019 -2.352 1.00 0.00 O ATOM 558 CB LEU A 37 12.023 15.553 -4.738 1.00 0.00 C ATOM 559 CG LEU A 37 12.948 16.085 -3.575 1.00 0.00 C ATOM 560 CD1 LEU A 37 12.164 16.762 -2.433 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.867 14.964 -3.037 1.00 0.00 C ATOM 0 H LEU A 37 10.876 14.419 -6.594 1.00 0.00 H new ATOM 0 HA LEU A 37 11.938 13.469 -4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.642 15.447 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.286 16.327 -4.953 1.00 0.00 H new ATOM 0 HG LEU A 37 13.573 16.863 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.860 17.104 -1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.610 17.614 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.467 16.047 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.493 15.359 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.257 14.147 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.500 14.594 -3.844 1.00 0.00 H new ATOM 573 N SER A 38 8.941 14.864 -4.035 1.00 0.00 N ATOM 574 CA SER A 38 7.718 15.065 -3.234 1.00 0.00 C ATOM 575 C SER A 38 7.099 13.705 -2.813 1.00 0.00 C ATOM 576 O SER A 38 6.473 13.619 -1.759 1.00 0.00 O ATOM 577 CB SER A 38 6.703 15.895 -4.041 1.00 0.00 C ATOM 578 OG SER A 38 7.317 17.023 -4.641 1.00 0.00 O ATOM 0 H SER A 38 8.839 15.144 -5.010 1.00 0.00 H new ATOM 0 HA SER A 38 7.980 15.606 -2.325 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.252 15.271 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.897 16.224 -3.385 1.00 0.00 H new ATOM 0 HG SER A 38 6.634 17.575 -5.076 1.00 0.00 H new ATOM 584 N HIS A 39 7.272 12.665 -3.673 1.00 0.00 N ATOM 585 CA HIS A 39 6.919 11.252 -3.340 1.00 0.00 C ATOM 586 C HIS A 39 7.727 10.758 -2.141 1.00 0.00 C ATOM 587 O HIS A 39 7.189 10.080 -1.270 1.00 0.00 O ATOM 588 CB HIS A 39 7.157 10.282 -4.531 1.00 0.00 C ATOM 589 CG HIS A 39 6.183 10.434 -5.650 1.00 0.00 C ATOM 590 ND1 HIS A 39 5.019 9.715 -5.678 1.00 0.00 N ATOM 591 CD2 HIS A 39 6.248 11.210 -6.746 1.00 0.00 C ATOM 592 CE1 HIS A 39 4.417 10.056 -6.791 1.00 0.00 C ATOM 593 NE2 HIS A 39 5.119 10.970 -7.466 1.00 0.00 N ATOM 0 H HIS A 39 7.657 12.778 -4.611 1.00 0.00 H new ATOM 0 HA HIS A 39 5.855 11.254 -3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.164 10.440 -4.917 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.114 9.257 -4.164 1.00 0.00 H new ATOM 0 HD1 HIS A 39 4.688 9.051 -4.978 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.044 11.893 -7.005 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.472 9.649 -7.121 1.00 0.00 H new ATOM 601 N MET A 40 9.028 11.100 -2.120 1.00 0.00 N ATOM 602 CA MET A 40 9.933 10.721 -1.021 1.00 0.00 C ATOM 603 C MET A 40 9.458 11.328 0.302 1.00 0.00 C ATOM 604 O MET A 40 9.356 10.624 1.309 1.00 0.00 O ATOM 605 CB MET A 40 11.390 11.146 -1.320 1.00 0.00 C ATOM 606 CG MET A 40 11.993 10.465 -2.547 1.00 0.00 C ATOM 607 SD MET A 40 11.798 8.667 -2.519 1.00 0.00 S ATOM 608 CE MET A 40 12.586 8.218 -0.970 1.00 0.00 C ATOM 0 H MET A 40 9.478 11.642 -2.858 1.00 0.00 H new ATOM 0 HA MET A 40 9.913 9.635 -0.933 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.421 12.226 -1.464 1.00 0.00 H new ATOM 0 HB3 MET A 40 12.009 10.922 -0.451 1.00 0.00 H new ATOM 0 HG2 MET A 40 11.522 10.863 -3.446 1.00 0.00 H new ATOM 0 HG3 MET A 40 13.053 10.710 -2.608 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.660 7.133 -0.901 1.00 0.00 H new ATOM 0 HE2 MET A 40 13.584 8.653 -0.930 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.992 8.595 -0.137 1.00 0.00 H new ATOM 618 N ASN A 41 9.122 12.629 0.246 1.00 0.00 N ATOM 619 CA ASN A 41 8.566 13.390 1.386 1.00 0.00 C ATOM 620 C ASN A 41 7.242 12.756 1.866 1.00 0.00 C ATOM 621 O ASN A 41 7.003 12.603 3.069 1.00 0.00 O ATOM 622 CB ASN A 41 8.312 14.864 0.971 1.00 0.00 C ATOM 623 CG ASN A 41 9.549 15.600 0.466 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.671 15.300 0.855 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.347 16.564 -0.414 1.00 0.00 N ATOM 0 H ASN A 41 9.229 13.190 -0.599 1.00 0.00 H new ATOM 0 HA ASN A 41 9.289 13.362 2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.550 14.883 0.192 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.907 15.405 1.826 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.139 17.084 -0.791 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.399 16.788 -0.716 1.00 0.00 H new ATOM 632 N LEU A 42 6.411 12.379 0.881 1.00 0.00 N ATOM 633 CA LEU A 42 5.072 11.798 1.090 1.00 0.00 C ATOM 634 C LEU A 42 5.161 10.454 1.835 1.00 0.00 C ATOM 635 O LEU A 42 4.455 10.233 2.827 1.00 0.00 O ATOM 636 CB LEU A 42 4.364 11.665 -0.307 1.00 0.00 C ATOM 637 CG LEU A 42 2.825 11.376 -0.341 1.00 0.00 C ATOM 638 CD1 LEU A 42 2.488 9.881 -0.142 1.00 0.00 C ATOM 639 CD2 LEU A 42 2.087 12.266 0.681 1.00 0.00 C ATOM 0 H LEU A 42 6.655 12.471 -0.105 1.00 0.00 H new ATOM 0 HA LEU A 42 4.474 12.452 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.540 12.590 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.863 10.867 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 42 2.473 11.630 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.407 9.744 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.953 9.295 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.866 9.548 0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.019 12.053 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.464 12.060 1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.256 13.315 0.439 1.00 0.00 H new ATOM 651 N ILE A 43 6.055 9.580 1.359 1.00 0.00 N ATOM 652 CA ILE A 43 6.202 8.218 1.884 1.00 0.00 C ATOM 653 C ILE A 43 6.798 8.238 3.288 1.00 0.00 C ATOM 654 O ILE A 43 6.238 7.608 4.175 1.00 0.00 O ATOM 655 CB ILE A 43 7.045 7.308 0.911 1.00 0.00 C ATOM 656 CG1 ILE A 43 6.254 7.064 -0.413 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.460 5.959 1.563 1.00 0.00 C ATOM 658 CD1 ILE A 43 4.892 6.390 -0.236 1.00 0.00 C ATOM 0 H ILE A 43 6.698 9.798 0.598 1.00 0.00 H new ATOM 0 HA ILE A 43 5.207 7.779 1.950 1.00 0.00 H new ATOM 0 HB ILE A 43 7.969 7.841 0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.107 8.021 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.864 6.449 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.038 5.372 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.066 6.154 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.567 5.404 1.850 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.419 6.263 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.027 5.415 0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.258 7.011 0.397 1.00 0.00 H new ATOM 670 N VAL A 44 7.889 8.999 3.504 1.00 0.00 N ATOM 671 CA VAL A 44 8.552 9.061 4.823 1.00 0.00 C ATOM 672 C VAL A 44 7.630 9.670 5.907 1.00 0.00 C ATOM 673 O VAL A 44 7.799 9.392 7.100 1.00 0.00 O ATOM 674 CB VAL A 44 9.926 9.813 4.765 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.916 9.090 3.815 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.767 11.299 4.381 1.00 0.00 C ATOM 0 H VAL A 44 8.328 9.576 2.787 1.00 0.00 H new ATOM 0 HA VAL A 44 8.760 8.030 5.108 1.00 0.00 H new ATOM 0 HB VAL A 44 10.343 9.792 5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.861 9.632 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 44 11.088 8.075 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.495 9.054 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.747 11.775 4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.301 11.373 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.140 11.800 5.118 1.00 0.00 H new ATOM 686 N SER A 45 6.652 10.499 5.471 1.00 0.00 N ATOM 687 CA SER A 45 5.540 10.962 6.326 1.00 0.00 C ATOM 688 C SER A 45 4.632 9.775 6.729 1.00 0.00 C ATOM 689 O SER A 45 4.288 9.625 7.901 1.00 0.00 O ATOM 690 CB SER A 45 4.699 12.038 5.609 1.00 0.00 C ATOM 691 OG SER A 45 5.464 13.208 5.371 1.00 0.00 O ATOM 0 H SER A 45 6.614 10.863 4.519 1.00 0.00 H new ATOM 0 HA SER A 45 5.975 11.401 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.328 11.644 4.663 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.827 12.286 6.215 1.00 0.00 H new ATOM 0 HG SER A 45 6.030 13.074 4.582 1.00 0.00 H new ATOM 697 N LEU A 46 4.269 8.922 5.752 1.00 0.00 N ATOM 698 CA LEU A 46 3.419 7.733 6.003 1.00 0.00 C ATOM 699 C LEU A 46 4.124 6.741 6.957 1.00 0.00 C ATOM 700 O LEU A 46 3.481 6.148 7.834 1.00 0.00 O ATOM 701 CB LEU A 46 3.043 7.030 4.664 1.00 0.00 C ATOM 702 CG LEU A 46 2.216 7.884 3.649 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.965 7.119 2.336 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.893 8.373 4.272 1.00 0.00 C ATOM 0 H LEU A 46 4.550 9.031 4.778 1.00 0.00 H new ATOM 0 HA LEU A 46 2.501 8.072 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.963 6.710 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.476 6.129 4.897 1.00 0.00 H new ATOM 0 HG LEU A 46 2.812 8.764 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.387 7.744 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.919 6.866 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.410 6.205 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.342 8.964 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.292 7.514 4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.108 8.988 5.146 1.00 0.00 H new ATOM 716 N GLU A 47 5.461 6.632 6.796 1.00 0.00 N ATOM 717 CA GLU A 47 6.317 5.749 7.603 1.00 0.00 C ATOM 718 C GLU A 47 6.267 6.163 9.087 1.00 0.00 C ATOM 719 O GLU A 47 5.963 5.343 9.945 1.00 0.00 O ATOM 720 CB GLU A 47 7.791 5.784 7.088 1.00 0.00 C ATOM 721 CG GLU A 47 7.982 5.442 5.593 1.00 0.00 C ATOM 722 CD GLU A 47 7.617 4.005 5.204 1.00 0.00 C ATOM 723 OE1 GLU A 47 6.441 3.747 4.895 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.519 3.129 5.197 1.00 0.00 O ATOM 0 H GLU A 47 5.977 7.162 6.094 1.00 0.00 H new ATOM 0 HA GLU A 47 5.941 4.731 7.507 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.197 6.779 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.381 5.085 7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.378 6.128 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.023 5.621 5.325 1.00 0.00 H new ATOM 731 N VAL A 48 6.554 7.445 9.377 1.00 0.00 N ATOM 732 CA VAL A 48 6.636 7.941 10.761 1.00 0.00 C ATOM 733 C VAL A 48 5.242 8.041 11.442 1.00 0.00 C ATOM 734 O VAL A 48 5.092 7.622 12.597 1.00 0.00 O ATOM 735 CB VAL A 48 7.413 9.308 10.850 1.00 0.00 C ATOM 736 CG1 VAL A 48 8.880 9.139 10.386 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.707 10.432 10.054 1.00 0.00 C ATOM 0 H VAL A 48 6.733 8.157 8.669 1.00 0.00 H new ATOM 0 HA VAL A 48 7.209 7.198 11.317 1.00 0.00 H new ATOM 0 HB VAL A 48 7.415 9.610 11.897 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.396 10.096 10.456 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.381 8.409 11.022 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.897 8.793 9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.278 11.356 10.144 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.640 10.148 9.004 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.704 10.585 10.453 1.00 0.00 H new ATOM 747 N HIS A 49 4.234 8.576 10.718 1.00 0.00 N ATOM 748 CA HIS A 49 2.867 8.788 11.261 1.00 0.00 C ATOM 749 C HIS A 49 2.151 7.454 11.574 1.00 0.00 C ATOM 750 O HIS A 49 1.699 7.240 12.704 1.00 0.00 O ATOM 751 CB HIS A 49 2.006 9.654 10.287 1.00 0.00 C ATOM 752 CG HIS A 49 2.327 11.137 10.292 1.00 0.00 C ATOM 753 ND1 HIS A 49 3.321 11.847 9.706 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 1.552 12.070 10.954 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 3.127 13.166 10.017 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 2.051 13.274 10.769 1.00 0.00 N flip ATOM 0 H HIS A 49 4.340 8.872 9.748 1.00 0.00 H new ATOM 0 HA HIS A 49 2.980 9.327 12.201 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.137 9.273 9.274 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.954 9.525 10.543 1.00 0.00 H new ATOM 0 HD1 HIS A 49 4.077 11.467 9.136 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.670 11.845 11.535 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.754 13.985 9.698 1.00 0.00 H new ATOM 765 N TYR A 50 2.066 6.559 10.571 1.00 0.00 N ATOM 766 CA TYR A 50 1.297 5.289 10.688 1.00 0.00 C ATOM 767 C TYR A 50 2.174 4.115 11.164 1.00 0.00 C ATOM 768 O TYR A 50 1.654 3.013 11.396 1.00 0.00 O ATOM 769 CB TYR A 50 0.647 4.931 9.334 1.00 0.00 C ATOM 770 CG TYR A 50 -0.318 5.988 8.792 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.664 6.002 9.170 1.00 0.00 C ATOM 772 CD2 TYR A 50 0.116 6.969 7.899 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.532 6.952 8.672 1.00 0.00 C ATOM 774 CE2 TYR A 50 -0.749 7.918 7.407 1.00 0.00 C ATOM 775 CZ TYR A 50 -2.067 7.904 7.795 1.00 0.00 C ATOM 776 OH TYR A 50 -2.926 8.847 7.294 1.00 0.00 O ATOM 0 H TYR A 50 2.519 6.686 9.666 1.00 0.00 H new ATOM 0 HA TYR A 50 0.525 5.453 11.439 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.435 4.767 8.599 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.110 3.989 9.441 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.030 5.258 9.862 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.150 6.983 7.589 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.570 6.948 8.969 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.394 8.671 6.719 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.851 9.670 7.820 1.00 0.00 H new ATOM 786 N LYS A 51 3.498 4.366 11.303 1.00 0.00 N ATOM 787 CA LYS A 51 4.507 3.353 11.706 1.00 0.00 C ATOM 788 C LYS A 51 4.589 2.197 10.667 1.00 0.00 C ATOM 789 O LYS A 51 5.010 1.085 10.999 1.00 0.00 O ATOM 790 CB LYS A 51 4.275 2.818 13.166 1.00 0.00 C ATOM 791 CG LYS A 51 4.436 3.864 14.312 1.00 0.00 C ATOM 792 CD LYS A 51 3.231 4.828 14.449 1.00 0.00 C ATOM 793 CE LYS A 51 3.429 5.895 15.540 1.00 0.00 C ATOM 794 NZ LYS A 51 4.586 6.782 15.250 1.00 0.00 N ATOM 0 H LYS A 51 3.901 5.288 11.137 1.00 0.00 H new ATOM 0 HA LYS A 51 5.475 3.854 11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.271 2.399 13.222 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.973 2.000 13.347 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.578 3.337 15.256 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.339 4.448 14.135 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.059 5.323 13.493 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.335 4.250 14.674 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.524 6.497 15.627 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.580 5.406 16.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.483 7.671 15.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.467 6.309 15.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.619 6.987 14.231 1.00 0.00 H new ATOM 808 N ILE A 52 4.259 2.504 9.385 1.00 0.00 N ATOM 809 CA ILE A 52 4.126 1.490 8.309 1.00 0.00 C ATOM 810 C ILE A 52 5.363 1.487 7.390 1.00 0.00 C ATOM 811 O ILE A 52 6.340 2.196 7.653 1.00 0.00 O ATOM 812 CB ILE A 52 2.794 1.690 7.477 1.00 0.00 C ATOM 813 CG1 ILE A 52 2.747 3.090 6.784 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.549 1.460 8.372 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.460 3.374 6.016 1.00 0.00 C ATOM 0 H ILE A 52 4.079 3.457 9.071 1.00 0.00 H new ATOM 0 HA ILE A 52 4.064 0.513 8.789 1.00 0.00 H new ATOM 0 HB ILE A 52 2.784 0.943 6.684 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.880 3.861 7.543 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.590 3.170 6.097 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.644 1.602 7.781 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.568 0.444 8.768 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.558 2.171 9.198 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.515 4.366 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.332 2.628 5.231 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.612 3.331 6.699 1.00 0.00 H new ATOM 827 N LYS A 53 5.321 0.659 6.333 1.00 0.00 N ATOM 828 CA LYS A 53 6.460 0.425 5.427 1.00 0.00 C ATOM 829 C LYS A 53 6.001 0.507 3.961 1.00 0.00 C ATOM 830 O LYS A 53 4.982 -0.070 3.610 1.00 0.00 O ATOM 831 CB LYS A 53 7.087 -0.969 5.764 1.00 0.00 C ATOM 832 CG LYS A 53 8.210 -1.477 4.813 1.00 0.00 C ATOM 833 CD LYS A 53 7.690 -2.329 3.621 1.00 0.00 C ATOM 834 CE LYS A 53 8.816 -2.795 2.690 1.00 0.00 C ATOM 835 NZ LYS A 53 8.297 -3.601 1.557 1.00 0.00 N ATOM 0 H LYS A 53 4.488 0.128 6.080 1.00 0.00 H new ATOM 0 HA LYS A 53 7.220 1.194 5.566 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.491 -0.925 6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.287 -1.709 5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.757 -0.619 4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.919 -2.071 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.159 -3.200 4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.970 -1.744 3.049 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.351 -1.927 2.304 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.535 -3.386 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.082 -3.854 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.853 -4.468 1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.592 -3.046 1.031 1.00 0.00 H new ATOM 849 N PHE A 54 6.749 1.245 3.116 1.00 0.00 N ATOM 850 CA PHE A 54 6.643 1.150 1.640 1.00 0.00 C ATOM 851 C PHE A 54 8.030 0.931 1.046 1.00 0.00 C ATOM 852 O PHE A 54 9.027 1.486 1.527 1.00 0.00 O ATOM 853 CB PHE A 54 6.008 2.410 0.993 1.00 0.00 C ATOM 854 CG PHE A 54 4.584 2.679 1.446 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.495 2.044 0.837 1.00 0.00 C ATOM 856 CD2 PHE A 54 4.328 3.555 2.497 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.208 2.287 1.270 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.045 3.784 2.921 1.00 0.00 C ATOM 859 CZ PHE A 54 1.984 3.152 2.307 1.00 0.00 C ATOM 0 H PHE A 54 7.442 1.923 3.433 1.00 0.00 H new ATOM 0 HA PHE A 54 5.985 0.308 1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.624 3.278 1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.019 2.295 -0.091 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.664 1.358 0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.149 4.060 2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.376 1.794 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.864 4.463 3.741 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.975 3.340 2.645 1.00 0.00 H new ATOM 869 N ALA A 55 8.071 0.106 -0.003 1.00 0.00 N ATOM 870 CA ALA A 55 9.257 -0.107 -0.832 1.00 0.00 C ATOM 871 C ALA A 55 9.037 0.608 -2.168 1.00 0.00 C ATOM 872 O ALA A 55 7.894 0.752 -2.601 1.00 0.00 O ATOM 873 CB ALA A 55 9.500 -1.607 -1.041 1.00 0.00 C ATOM 0 H ALA A 55 7.265 -0.442 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 55 10.141 0.299 -0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.386 -1.749 -1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.651 -2.089 -0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.636 -2.050 -1.537 1.00 0.00 H new ATOM 879 N LEU A 56 10.125 1.019 -2.831 1.00 0.00 N ATOM 880 CA LEU A 56 10.056 1.805 -4.090 1.00 0.00 C ATOM 881 C LEU A 56 9.458 0.923 -5.214 1.00 0.00 C ATOM 882 O LEU A 56 8.796 1.437 -6.114 1.00 0.00 O ATOM 883 CB LEU A 56 11.478 2.366 -4.456 1.00 0.00 C ATOM 884 CG LEU A 56 11.586 3.573 -5.471 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.391 3.154 -6.943 1.00 0.00 C ATOM 886 CD2 LEU A 56 10.633 4.722 -5.077 1.00 0.00 C ATOM 0 H LEU A 56 11.077 0.823 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 56 9.400 2.666 -3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.960 2.672 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.063 1.541 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 56 12.610 3.940 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.478 4.030 -7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.154 2.426 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.404 2.709 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.730 5.537 -5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.605 4.359 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.890 5.082 -4.081 1.00 0.00 H new ATOM 898 N GLY A 57 9.667 -0.409 -5.114 1.00 0.00 N ATOM 899 CA GLY A 57 9.010 -1.376 -6.005 1.00 0.00 C ATOM 900 C GLY A 57 7.483 -1.308 -5.918 1.00 0.00 C ATOM 901 O GLY A 57 6.789 -1.397 -6.942 1.00 0.00 O ATOM 0 H GLY A 57 10.286 -0.833 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.321 -1.188 -7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.341 -2.383 -5.751 1.00 0.00 H new ATOM 905 N GLU A 58 6.971 -1.119 -4.677 1.00 0.00 N ATOM 906 CA GLU A 58 5.528 -0.912 -4.420 1.00 0.00 C ATOM 907 C GLU A 58 5.065 0.427 -5.035 1.00 0.00 C ATOM 908 O GLU A 58 3.995 0.490 -5.637 1.00 0.00 O ATOM 909 CB GLU A 58 5.215 -0.934 -2.894 1.00 0.00 C ATOM 910 CG GLU A 58 5.630 -2.231 -2.173 1.00 0.00 C ATOM 911 CD GLU A 58 5.228 -2.250 -0.687 1.00 0.00 C ATOM 912 OE1 GLU A 58 4.020 -2.363 -0.404 1.00 0.00 O ATOM 913 OE2 GLU A 58 6.103 -2.134 0.203 1.00 0.00 O ATOM 0 H GLU A 58 7.544 -1.106 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 58 4.983 -1.731 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.721 -0.093 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.145 -0.782 -2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.174 -3.082 -2.678 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.710 -2.355 -2.253 1.00 0.00 H new ATOM 920 N LEU A 59 5.915 1.472 -4.902 1.00 0.00 N ATOM 921 CA LEU A 59 5.658 2.838 -5.441 1.00 0.00 C ATOM 922 C LEU A 59 5.445 2.835 -6.969 1.00 0.00 C ATOM 923 O LEU A 59 4.638 3.614 -7.490 1.00 0.00 O ATOM 924 CB LEU A 59 6.830 3.813 -5.074 1.00 0.00 C ATOM 925 CG LEU A 59 6.726 4.564 -3.715 1.00 0.00 C ATOM 926 CD1 LEU A 59 5.543 5.534 -3.737 1.00 0.00 C ATOM 927 CD2 LEU A 59 6.635 3.595 -2.522 1.00 0.00 C ATOM 0 H LEU A 59 6.807 1.395 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 59 4.736 3.187 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.758 3.242 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.912 4.557 -5.866 1.00 0.00 H new ATOM 0 HG LEU A 59 7.643 5.137 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.481 6.053 -2.781 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.684 6.261 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.621 4.979 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.564 4.164 -1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.751 2.967 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.525 2.967 -2.495 1.00 0.00 H new ATOM 939 N GLN A 60 6.172 1.959 -7.673 1.00 0.00 N ATOM 940 CA GLN A 60 6.049 1.811 -9.135 1.00 0.00 C ATOM 941 C GLN A 60 4.697 1.177 -9.525 1.00 0.00 C ATOM 942 O GLN A 60 4.223 1.363 -10.645 1.00 0.00 O ATOM 943 CB GLN A 60 7.235 0.979 -9.684 1.00 0.00 C ATOM 944 CG GLN A 60 8.649 1.520 -9.336 1.00 0.00 C ATOM 945 CD GLN A 60 9.108 2.823 -10.043 1.00 0.00 C ATOM 946 OE1 GLN A 60 8.220 3.774 -10.339 1.00 0.00 O flip ATOM 947 NE2 GLN A 60 10.304 2.990 -10.296 1.00 0.00 N flip ATOM 0 H GLN A 60 6.859 1.334 -7.252 1.00 0.00 H new ATOM 0 HA GLN A 60 6.081 2.803 -9.585 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.150 -0.038 -9.302 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.144 0.921 -10.769 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.690 1.688 -8.260 1.00 0.00 H new ATOM 0 HG3 GLN A 60 9.374 0.739 -9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.980 2.261 -10.068 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.617 3.857 -10.733 1.00 0.00 H new ATOM 956 N LYS A 61 4.095 0.434 -8.582 1.00 0.00 N ATOM 957 CA LYS A 61 2.756 -0.176 -8.748 1.00 0.00 C ATOM 958 C LYS A 61 1.649 0.720 -8.142 1.00 0.00 C ATOM 959 O LYS A 61 0.460 0.456 -8.335 1.00 0.00 O ATOM 960 CB LYS A 61 2.740 -1.590 -8.103 1.00 0.00 C ATOM 961 CG LYS A 61 3.815 -2.556 -8.653 1.00 0.00 C ATOM 962 CD LYS A 61 3.716 -2.750 -10.183 1.00 0.00 C ATOM 963 CE LYS A 61 4.818 -3.658 -10.745 1.00 0.00 C ATOM 964 NZ LYS A 61 4.734 -3.763 -12.222 1.00 0.00 N ATOM 0 H LYS A 61 4.522 0.236 -7.677 1.00 0.00 H new ATOM 0 HA LYS A 61 2.549 -0.270 -9.814 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.879 -1.487 -7.027 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.757 -2.035 -8.256 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.804 -2.173 -8.403 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.714 -3.523 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.743 -3.175 -10.427 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.770 -1.777 -10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.794 -3.265 -10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.734 -4.651 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.493 -4.384 -12.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.811 -4.161 -12.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.839 -2.818 -12.644 1.00 0.00 H new ATOM 978 N LEU A 62 2.053 1.769 -7.401 1.00 0.00 N ATOM 979 CA LEU A 62 1.134 2.785 -6.863 1.00 0.00 C ATOM 980 C LEU A 62 0.972 3.883 -7.913 1.00 0.00 C ATOM 981 O LEU A 62 1.880 4.688 -8.102 1.00 0.00 O ATOM 982 CB LEU A 62 1.675 3.371 -5.522 1.00 0.00 C ATOM 983 CG LEU A 62 1.802 2.351 -4.352 1.00 0.00 C ATOM 984 CD1 LEU A 62 2.411 2.995 -3.084 1.00 0.00 C ATOM 985 CD2 LEU A 62 0.445 1.678 -4.063 1.00 0.00 C ATOM 0 H LEU A 62 3.030 1.935 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 62 0.166 2.333 -6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.655 3.811 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.016 4.180 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 62 2.498 1.573 -4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.481 2.247 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.406 3.376 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.775 3.816 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.558 0.970 -3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.287 2.438 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.104 1.150 -4.954 1.00 0.00 H new ATOM 997 N LYS A 63 -0.161 3.869 -8.628 1.00 0.00 N ATOM 998 CA LYS A 63 -0.424 4.807 -9.732 1.00 0.00 C ATOM 999 C LYS A 63 -1.112 6.078 -9.193 1.00 0.00 C ATOM 1000 O LYS A 63 -0.943 7.159 -9.757 1.00 0.00 O ATOM 1001 CB LYS A 63 -1.257 4.085 -10.847 1.00 0.00 C ATOM 1002 CG LYS A 63 -1.263 4.760 -12.251 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.279 5.916 -12.390 1.00 0.00 C ATOM 1004 CE LYS A 63 -2.162 6.667 -13.727 1.00 0.00 C ATOM 1005 NZ LYS A 63 -3.154 7.767 -13.813 1.00 0.00 N ATOM 0 H LYS A 63 -0.921 3.209 -8.459 1.00 0.00 H new ATOM 0 HA LYS A 63 0.513 5.128 -10.187 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.874 3.070 -10.957 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.288 4.001 -10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.264 5.141 -12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.483 4.004 -13.005 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.289 5.518 -12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.133 6.620 -11.571 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.156 7.072 -13.833 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.314 5.971 -14.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.896 8.407 -14.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.098 7.370 -13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.164 8.296 -12.918 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.857 5.951 -8.082 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.611 7.073 -7.485 1.00 0.00 C ATOM 1021 C ASN A 64 -2.914 6.835 -5.989 1.00 0.00 C ATOM 1022 O ASN A 64 -2.551 5.799 -5.434 1.00 0.00 O ATOM 1023 CB ASN A 64 -3.923 7.325 -8.286 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.727 6.056 -8.551 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -5.505 5.592 -7.714 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.545 5.481 -9.729 1.00 0.00 N ATOM 0 H ASN A 64 -1.955 5.073 -7.572 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.985 7.963 -7.544 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.545 8.032 -7.736 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.674 7.793 -9.238 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.055 4.630 -9.965 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.894 5.889 -10.400 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.585 7.828 -5.356 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.954 7.809 -3.913 1.00 0.00 C ATOM 1035 C VAL A 65 -5.027 6.722 -3.618 1.00 0.00 C ATOM 1036 O VAL A 65 -5.228 6.326 -2.468 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.467 9.235 -3.438 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.757 9.280 -1.914 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.463 10.346 -3.818 1.00 0.00 C ATOM 0 H VAL A 65 -3.890 8.675 -5.835 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.055 7.560 -3.349 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.407 9.414 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.105 10.276 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.525 8.547 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.845 9.049 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.842 11.310 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.503 10.147 -3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.335 10.366 -4.900 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.691 6.240 -4.677 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.637 5.130 -4.583 1.00 0.00 C ATOM 1051 C GLY A 66 -5.923 3.819 -4.368 1.00 0.00 C ATOM 1052 O GLY A 66 -6.391 2.964 -3.608 1.00 0.00 O ATOM 0 H GLY A 66 -5.585 6.611 -5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.330 5.308 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.231 5.078 -5.495 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.766 3.672 -5.038 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.841 2.562 -4.784 1.00 0.00 C ATOM 1058 C ASP A 67 -3.307 2.667 -3.354 1.00 0.00 C ATOM 1059 O ASP A 67 -3.212 1.660 -2.671 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.665 2.551 -5.792 1.00 0.00 C ATOM 1061 CG ASP A 67 -3.131 2.329 -7.235 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.526 1.201 -7.572 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -3.095 3.269 -8.040 1.00 0.00 O ATOM 0 H ASP A 67 -4.451 4.315 -5.764 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.387 1.627 -4.910 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.128 3.497 -5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.961 1.766 -5.516 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.980 3.908 -2.910 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.566 4.185 -1.511 1.00 0.00 C ATOM 1070 C LEU A 68 -3.701 3.886 -0.510 1.00 0.00 C ATOM 1071 O LEU A 68 -3.422 3.513 0.612 1.00 0.00 O ATOM 1072 CB LEU A 68 -2.060 5.661 -1.315 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.559 5.956 -1.629 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.368 5.079 -0.763 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.257 5.821 -3.136 1.00 0.00 C ATOM 0 H LEU A 68 -2.996 4.736 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.732 3.513 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.669 6.312 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.250 5.947 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.357 6.994 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.408 5.304 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.184 5.286 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.168 4.027 -0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.797 6.034 -3.316 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.484 4.806 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.870 6.528 -3.695 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.975 4.059 -0.908 1.00 0.00 N ATOM 1088 CA ALA A 69 -6.121 3.785 -0.012 1.00 0.00 C ATOM 1089 C ALA A 69 -6.147 2.295 0.359 1.00 0.00 C ATOM 1090 O ALA A 69 -6.149 1.936 1.540 1.00 0.00 O ATOM 1091 CB ALA A 69 -7.448 4.222 -0.650 1.00 0.00 C ATOM 0 H ALA A 69 -5.239 4.385 -1.838 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.996 4.370 0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.269 4.007 0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.418 5.292 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.600 3.678 -1.582 1.00 0.00 H new ATOM 1097 N ASP A 70 -6.080 1.447 -0.682 1.00 0.00 N ATOM 1098 CA ASP A 70 -6.006 -0.015 -0.525 1.00 0.00 C ATOM 1099 C ASP A 70 -4.684 -0.430 0.151 1.00 0.00 C ATOM 1100 O ASP A 70 -4.690 -1.275 1.040 1.00 0.00 O ATOM 1101 CB ASP A 70 -6.153 -0.735 -1.891 1.00 0.00 C ATOM 1102 CG ASP A 70 -7.567 -0.615 -2.474 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -8.453 -1.428 -2.115 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -7.809 0.307 -3.271 1.00 0.00 O ATOM 0 H ASP A 70 -6.076 1.756 -1.654 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.836 -0.317 0.114 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.436 -0.316 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.902 -1.789 -1.771 1.00 0.00 H new ATOM 1109 N LEU A 71 -3.567 0.217 -0.240 1.00 0.00 N ATOM 1110 CA LEU A 71 -2.197 -0.197 0.171 1.00 0.00 C ATOM 1111 C LEU A 71 -1.969 0.097 1.670 1.00 0.00 C ATOM 1112 O LEU A 71 -1.611 -0.804 2.428 1.00 0.00 O ATOM 1113 CB LEU A 71 -1.106 0.502 -0.715 1.00 0.00 C ATOM 1114 CG LEU A 71 0.146 -0.356 -1.106 1.00 0.00 C ATOM 1115 CD1 LEU A 71 0.937 -0.827 0.106 1.00 0.00 C ATOM 1116 CD2 LEU A 71 -0.245 -1.544 -2.002 1.00 0.00 C ATOM 0 H LEU A 71 -3.582 1.037 -0.846 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.106 -1.272 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.583 0.844 -1.633 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.758 1.390 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 71 0.802 0.301 -1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.792 -1.416 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.288 0.037 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.298 -1.440 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.646 -2.118 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.950 -2.184 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.709 -1.173 -2.916 1.00 0.00 H new ATOM 1128 N VAL A 72 -2.182 1.372 2.073 1.00 0.00 N ATOM 1129 CA VAL A 72 -2.129 1.806 3.490 1.00 0.00 C ATOM 1130 C VAL A 72 -3.090 0.952 4.350 1.00 0.00 C ATOM 1131 O VAL A 72 -2.745 0.589 5.463 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.456 3.350 3.658 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.500 3.786 5.148 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -1.441 4.231 2.876 1.00 0.00 C ATOM 0 H VAL A 72 -2.396 2.130 1.424 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.107 1.654 3.838 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.451 3.500 3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.727 4.850 5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.271 3.220 5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.532 3.594 5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.692 5.283 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.434 4.047 3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.484 3.981 1.816 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.264 0.593 3.785 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.249 -0.296 4.450 1.00 0.00 C ATOM 1146 C ASP A 73 -4.659 -1.702 4.705 1.00 0.00 C ATOM 1147 O ASP A 73 -4.874 -2.282 5.769 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.534 -0.409 3.591 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.622 -1.292 4.219 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.435 -0.769 5.008 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.665 -2.514 3.947 1.00 0.00 O ATOM 0 H ASP A 73 -4.557 0.908 2.860 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.498 0.146 5.415 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.939 0.589 3.427 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -6.272 -0.812 2.613 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.900 -2.217 3.718 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.247 -3.544 3.819 1.00 0.00 C ATOM 1158 C LYS A 74 -2.200 -3.523 4.949 1.00 0.00 C ATOM 1159 O LYS A 74 -2.095 -4.477 5.735 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.579 -3.979 2.479 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.535 -4.139 1.273 1.00 0.00 C ATOM 1162 CD LYS A 74 -4.678 -5.156 1.506 1.00 0.00 C ATOM 1163 CE LYS A 74 -4.180 -6.598 1.692 1.00 0.00 C ATOM 1164 NZ LYS A 74 -3.470 -7.101 0.488 1.00 0.00 N ATOM 0 H LYS A 74 -3.722 -1.735 2.837 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.023 -4.276 4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.816 -3.245 2.220 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.066 -4.927 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.969 -3.168 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.957 -4.451 0.403 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.246 -4.858 2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.363 -5.122 0.659 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.512 -6.643 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.027 -7.248 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.285 -8.119 0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.059 -6.942 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.568 -6.595 0.380 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.469 -2.394 5.044 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.423 -2.178 6.055 1.00 0.00 C ATOM 1180 C LYS A 75 -1.045 -2.058 7.459 1.00 0.00 C ATOM 1181 O LYS A 75 -0.567 -2.688 8.399 1.00 0.00 O ATOM 1182 CB LYS A 75 0.367 -0.883 5.722 1.00 0.00 C ATOM 1183 CG LYS A 75 1.019 -0.858 4.324 1.00 0.00 C ATOM 1184 CD LYS A 75 2.164 -1.880 4.167 1.00 0.00 C ATOM 1185 CE LYS A 75 2.733 -1.902 2.742 1.00 0.00 C ATOM 1186 NZ LYS A 75 4.004 -2.652 2.636 1.00 0.00 N ATOM 0 H LYS A 75 -1.592 -1.601 4.414 1.00 0.00 H new ATOM 0 HA LYS A 75 0.254 -3.032 6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.308 -0.032 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.146 -0.748 6.472 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.256 -1.058 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.405 0.142 4.128 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.961 -1.640 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.799 -2.874 4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.998 -2.347 2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.893 -0.878 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.165 -2.924 1.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.789 -2.053 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.953 -3.507 3.226 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.129 -1.260 7.565 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.848 -1.016 8.837 1.00 0.00 C ATOM 1202 C LEU A 76 -3.490 -2.316 9.351 1.00 0.00 C ATOM 1203 O LEU A 76 -3.499 -2.569 10.553 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.925 0.101 8.680 1.00 0.00 C ATOM 1205 CG LEU A 76 -3.391 1.543 8.390 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -4.557 2.544 8.214 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -2.389 2.009 9.480 1.00 0.00 C ATOM 0 H LEU A 76 -2.532 -0.765 6.770 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.118 -0.672 9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.598 -0.184 7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.520 0.134 9.593 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.844 1.512 7.448 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.156 3.538 8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.183 2.230 7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.154 2.571 9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.039 3.014 9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.884 2.014 10.451 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.540 1.327 9.509 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.987 -3.138 8.410 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.543 -4.475 8.702 1.00 0.00 C ATOM 1221 C ALA A 77 -3.483 -5.383 9.345 1.00 0.00 C ATOM 1222 O ALA A 77 -3.793 -6.171 10.242 1.00 0.00 O ATOM 1223 CB ALA A 77 -5.103 -5.112 7.419 1.00 0.00 C ATOM 0 H ALA A 77 -4.015 -2.894 7.420 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.359 -4.359 9.415 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.509 -6.097 7.649 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.893 -4.479 7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.304 -5.212 6.684 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.227 -5.250 8.871 1.00 0.00 N ATOM 1230 CA ARG A 78 -1.064 -5.939 9.462 1.00 0.00 C ATOM 1231 C ARG A 78 -0.711 -5.353 10.849 1.00 0.00 C ATOM 1232 O ARG A 78 -0.293 -6.091 11.746 1.00 0.00 O ATOM 1233 CB ARG A 78 0.173 -5.867 8.522 1.00 0.00 C ATOM 1234 CG ARG A 78 0.007 -6.559 7.151 1.00 0.00 C ATOM 1235 CD ARG A 78 -0.470 -8.016 7.283 1.00 0.00 C ATOM 1236 NE ARG A 78 0.418 -8.839 8.144 1.00 0.00 N ATOM 1237 CZ ARG A 78 0.021 -9.842 8.960 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -1.263 -10.177 9.072 1.00 0.00 N ATOM 1239 NH2 ARG A 78 0.918 -10.508 9.661 1.00 0.00 N ATOM 0 H ARG A 78 -1.992 -4.664 8.070 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.340 -6.986 9.589 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.419 -4.819 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.024 -6.315 9.035 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.708 -5.999 6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.958 -6.538 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.479 -8.027 7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.526 -8.466 6.292 1.00 0.00 H new ATOM 0 HE ARG A 78 1.416 -8.629 8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.970 -9.674 8.536 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.539 -10.937 9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.906 -10.266 9.586 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.624 -11.265 10.278 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.905 -4.022 11.013 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.592 -3.291 12.271 1.00 0.00 C ATOM 1255 C LYS A 79 -1.562 -3.658 13.404 1.00 0.00 C ATOM 1256 O LYS A 79 -1.287 -3.373 14.578 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.580 -1.751 12.028 1.00 0.00 C ATOM 1258 CG LYS A 79 0.509 -1.287 11.041 1.00 0.00 C ATOM 1259 CD LYS A 79 1.929 -1.683 11.500 1.00 0.00 C ATOM 1260 CE LYS A 79 2.996 -1.403 10.442 1.00 0.00 C ATOM 1261 NZ LYS A 79 4.357 -1.674 10.951 1.00 0.00 N ATOM 0 H LYS A 79 -1.283 -3.423 10.279 1.00 0.00 H new ATOM 0 HA LYS A 79 0.405 -3.599 12.586 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.555 -1.444 11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.434 -1.243 12.981 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.314 -1.719 10.060 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.456 -0.204 10.928 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.176 -1.138 12.411 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.942 -2.744 11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.807 -2.019 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.928 -0.363 10.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.863 -0.775 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.294 -2.175 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.873 -2.263 10.266 1.00 0.00 H new