USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 733 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 80 LYS NZ :NH3+ -150:sc= -0.676 (180deg=-3.11!) USER MOD Set 1.2: A 82 ASN : amide:sc= -1.37 K(o=-2,f=-12!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 127:sc= 0.0312 USER MOD Single : A 10 GLN : amide:sc= -0.603 K(o=-0.6,f=-4.1!) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 0.149 (180deg=0.0732) USER MOD Single : A 36 GLN : amide:sc= -0.827 X(o=-0.83,f=-0.5) USER MOD Single : A 38 ASN : amide:sc= -2.62 K(o=-2.6,f=-5.9!) USER MOD Single : A 39 MET CE :methyl -161:sc= -2.39 (180deg=-3.69) USER MOD Single : A 43 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.06) USER MOD Single : A 45 SER OG : rot -81:sc= 0.851 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -15:sc= -3.22! USER MOD Single : A 55 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-0.6) USER MOD Single : A 63 SER OG : rot -154:sc= 0.792 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -146:sc= -0.174 (180deg=-0.778) USER MOD Single : A 73 CYS SG : rot 50:sc= 0.681 USER MOD Single : A 75 ASN : amide:sc= 0.624 K(o=0.62,f=0.1) USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= -0.498 (180deg=-0.973) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -0.788 K(o=-0.79,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.00723 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N THR A 3 5.065 -2.606 -3.966 1.00 0.00 N ATOM 28 CA THR A 3 6.189 -2.489 -4.886 1.00 0.00 C ATOM 29 C THR A 3 7.518 -2.553 -4.142 1.00 0.00 C ATOM 30 O THR A 3 7.647 -2.083 -3.011 1.00 0.00 O ATOM 31 CB THR A 3 6.125 -1.174 -5.687 1.00 0.00 C ATOM 32 OG1 THR A 3 7.385 -0.925 -6.321 1.00 0.00 O ATOM 33 CG2 THR A 3 5.768 -0.006 -4.781 1.00 0.00 C ATOM 0 HA THR A 3 6.121 -3.330 -5.576 1.00 0.00 H new ATOM 0 HB THR A 3 5.350 -1.274 -6.447 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.336 -0.089 -6.829 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.729 0.911 -5.368 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.796 -0.185 -4.322 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.524 0.094 -4.002 1.00 0.00 H new ATOM 41 N PRO A 4 8.532 -3.147 -4.789 1.00 0.00 N ATOM 42 CA PRO A 4 9.870 -3.285 -4.206 1.00 0.00 C ATOM 43 C PRO A 4 10.595 -1.947 -4.096 1.00 0.00 C ATOM 44 O PRO A 4 11.129 -1.606 -3.041 1.00 0.00 O ATOM 45 CB PRO A 4 10.593 -4.205 -5.193 1.00 0.00 C ATOM 46 CG PRO A 4 9.887 -4.001 -6.489 1.00 0.00 C ATOM 47 CD PRO A 4 8.450 -3.729 -6.139 1.00 0.00 C ATOM 0 HA PRO A 4 9.834 -3.673 -3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 4 11.649 -3.948 -5.273 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.542 -5.246 -4.874 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.319 -3.167 -7.042 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.974 -4.883 -7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.988 -3.040 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 4 7.855 -4.642 -6.148 1.00 0.00 H new ATOM 55 N ARG A 5 10.609 -1.195 -5.192 1.00 0.00 N ATOM 56 CA ARG A 5 11.269 0.104 -5.217 1.00 0.00 C ATOM 57 C ARG A 5 10.679 0.993 -6.309 1.00 0.00 C ATOM 58 O ARG A 5 10.185 0.501 -7.324 1.00 0.00 O ATOM 59 CB ARG A 5 12.772 -0.068 -5.443 1.00 0.00 C ATOM 60 CG ARG A 5 13.572 -0.182 -4.155 1.00 0.00 C ATOM 61 CD ARG A 5 14.074 -1.600 -3.935 1.00 0.00 C ATOM 62 NE ARG A 5 15.026 -1.679 -2.830 1.00 0.00 N ATOM 63 CZ ARG A 5 16.308 -1.350 -2.940 1.00 0.00 C ATOM 64 NH1 ARG A 5 16.790 -0.923 -4.099 1.00 0.00 N ATOM 65 NH2 ARG A 5 17.112 -1.448 -1.889 1.00 0.00 N ATOM 0 H ARG A 5 10.171 -1.463 -6.073 1.00 0.00 H new ATOM 0 HA ARG A 5 11.106 0.585 -4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 5 12.941 -0.960 -6.046 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.144 0.780 -6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 5 14.419 0.504 -4.189 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.951 0.120 -3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.228 -2.257 -3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.547 -1.963 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 5 14.688 -2.005 -1.924 1.00 0.00 H new ATOM 0 HH11 ARG A 5 16.176 -0.846 -4.910 1.00 0.00 H new ATOM 0 HH12 ARG A 5 17.775 -0.671 -4.180 1.00 0.00 H new ATOM 0 HH21 ARG A 5 16.746 -1.776 -0.995 1.00 0.00 H new ATOM 0 HH22 ARG A 5 18.096 -1.195 -1.975 1.00 0.00 H new ATOM 79 N PHE A 6 10.733 2.303 -6.092 1.00 0.00 N ATOM 80 CA PHE A 6 10.202 3.260 -7.056 1.00 0.00 C ATOM 81 C PHE A 6 10.666 4.676 -6.728 1.00 0.00 C ATOM 82 O PHE A 6 10.687 5.080 -5.565 1.00 0.00 O ATOM 83 CB PHE A 6 8.673 3.203 -7.074 1.00 0.00 C ATOM 84 CG PHE A 6 8.038 3.744 -5.825 1.00 0.00 C ATOM 85 CD1 PHE A 6 7.812 2.919 -4.734 1.00 0.00 C ATOM 86 CD2 PHE A 6 7.669 5.076 -5.740 1.00 0.00 C ATOM 87 CE1 PHE A 6 7.227 3.414 -3.584 1.00 0.00 C ATOM 88 CE2 PHE A 6 7.084 5.577 -4.592 1.00 0.00 C ATOM 89 CZ PHE A 6 6.864 4.745 -3.512 1.00 0.00 C ATOM 0 H PHE A 6 11.139 2.726 -5.257 1.00 0.00 H new ATOM 0 HA PHE A 6 10.580 2.992 -8.043 1.00 0.00 H new ATOM 0 HB2 PHE A 6 8.306 3.767 -7.932 1.00 0.00 H new ATOM 0 HB3 PHE A 6 8.358 2.169 -7.214 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.096 1.878 -4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.840 5.732 -6.581 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.054 2.761 -2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 6 6.799 6.618 -4.540 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.409 5.134 -2.613 1.00 0.00 H new ATOM 99 N SER A 7 11.037 5.425 -7.761 1.00 0.00 N ATOM 100 CA SER A 7 11.505 6.794 -7.584 1.00 0.00 C ATOM 101 C SER A 7 10.680 7.763 -8.426 1.00 0.00 C ATOM 102 O SER A 7 10.324 7.464 -9.566 1.00 0.00 O ATOM 103 CB SER A 7 12.983 6.904 -7.962 1.00 0.00 C ATOM 104 OG SER A 7 13.766 7.299 -6.849 1.00 0.00 O ATOM 0 H SER A 7 11.022 5.106 -8.730 1.00 0.00 H new ATOM 0 HA SER A 7 11.386 7.059 -6.534 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.338 5.944 -8.338 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.102 7.627 -8.769 1.00 0.00 H new ATOM 0 HG SER A 7 14.707 7.360 -7.116 1.00 0.00 H new ATOM 110 N ILE A 8 10.381 8.926 -7.856 1.00 0.00 N ATOM 111 CA ILE A 8 9.600 9.939 -8.553 1.00 0.00 C ATOM 112 C ILE A 8 10.459 11.148 -8.908 1.00 0.00 C ATOM 113 O ILE A 8 11.323 11.560 -8.132 1.00 0.00 O ATOM 114 CB ILE A 8 8.401 10.407 -7.707 1.00 0.00 C ATOM 115 CG1 ILE A 8 7.750 9.214 -7.003 1.00 0.00 C ATOM 116 CG2 ILE A 8 7.387 11.132 -8.580 1.00 0.00 C ATOM 117 CD1 ILE A 8 6.538 9.588 -6.178 1.00 0.00 C ATOM 0 H ILE A 8 10.668 9.189 -6.913 1.00 0.00 H new ATOM 0 HA ILE A 8 9.230 9.477 -9.468 1.00 0.00 H new ATOM 0 HB ILE A 8 8.760 11.102 -6.948 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.457 8.477 -7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.487 8.737 -6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.546 11.456 -7.968 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.858 12.001 -9.039 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.030 10.458 -9.359 1.00 0.00 H new ATOM 0 HD11 ILE A 8 6.128 8.694 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.829 10.302 -5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.783 10.037 -6.823 1.00 0.00 H new ATOM 129 N THR A 9 10.216 11.715 -10.086 1.00 0.00 N ATOM 130 CA THR A 9 10.967 12.877 -10.544 1.00 0.00 C ATOM 131 C THR A 9 10.032 13.991 -11.000 1.00 0.00 C ATOM 132 O THR A 9 8.956 13.729 -11.536 1.00 0.00 O ATOM 133 CB THR A 9 11.915 12.513 -11.701 1.00 0.00 C ATOM 134 OG1 THR A 9 12.378 11.166 -11.550 1.00 0.00 O ATOM 135 CG2 THR A 9 13.104 13.461 -11.746 1.00 0.00 C ATOM 0 H THR A 9 9.505 11.388 -10.740 1.00 0.00 H new ATOM 0 HA THR A 9 11.557 13.226 -9.697 1.00 0.00 H new ATOM 0 HB THR A 9 11.362 12.604 -12.636 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.205 10.666 -12.375 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.759 13.184 -12.572 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.750 14.482 -11.891 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.655 13.398 -10.808 1.00 0.00 H new ATOM 143 N GLN A 10 10.449 15.234 -10.783 1.00 0.00 N ATOM 144 CA GLN A 10 9.647 16.388 -11.172 1.00 0.00 C ATOM 145 C GLN A 10 10.306 17.147 -12.319 1.00 0.00 C ATOM 146 O GLN A 10 11.532 17.246 -12.387 1.00 0.00 O ATOM 147 CB GLN A 10 9.444 17.321 -9.977 1.00 0.00 C ATOM 148 CG GLN A 10 9.287 16.589 -8.654 1.00 0.00 C ATOM 149 CD GLN A 10 10.613 16.348 -7.960 1.00 0.00 C ATOM 150 OE1 GLN A 10 11.670 16.365 -8.592 1.00 0.00 O ATOM 151 NE2 GLN A 10 10.565 16.120 -6.652 1.00 0.00 N ATOM 0 H GLN A 10 11.337 15.468 -10.340 1.00 0.00 H new ATOM 0 HA GLN A 10 8.676 16.026 -11.510 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.294 18.000 -9.908 1.00 0.00 H new ATOM 0 HB3 GLN A 10 8.559 17.934 -10.151 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.638 17.168 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 10 8.793 15.633 -8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.667 16.115 -6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.426 15.950 -6.132 1.00 0.00 H new ATOM 160 N ASP A 11 9.486 17.681 -13.217 1.00 0.00 N ATOM 161 CA ASP A 11 9.989 18.433 -14.361 1.00 0.00 C ATOM 162 C ASP A 11 9.394 19.837 -14.393 1.00 0.00 C ATOM 163 O ASP A 11 8.797 20.290 -13.418 1.00 0.00 O ATOM 164 CB ASP A 11 9.666 17.698 -15.663 1.00 0.00 C ATOM 165 CG ASP A 11 10.823 17.720 -16.642 1.00 0.00 C ATOM 166 OD1 ASP A 11 11.636 18.665 -16.579 1.00 0.00 O ATOM 167 OD2 ASP A 11 10.914 16.792 -17.473 1.00 0.00 O ATOM 0 H ASP A 11 8.470 17.607 -13.175 1.00 0.00 H new ATOM 0 HA ASP A 11 11.071 18.519 -14.261 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.404 16.664 -15.438 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.792 18.155 -16.127 1.00 0.00 H new ATOM 172 N GLU A 12 9.563 20.520 -15.521 1.00 0.00 N ATOM 173 CA GLU A 12 9.044 21.873 -15.679 1.00 0.00 C ATOM 174 C GLU A 12 7.803 21.880 -16.568 1.00 0.00 C ATOM 175 O GLU A 12 7.450 22.905 -17.149 1.00 0.00 O ATOM 176 CB GLU A 12 10.116 22.789 -16.274 1.00 0.00 C ATOM 177 CG GLU A 12 10.473 22.453 -17.712 1.00 0.00 C ATOM 178 CD GLU A 12 11.692 23.210 -18.202 1.00 0.00 C ATOM 179 OE1 GLU A 12 12.810 22.894 -17.745 1.00 0.00 O ATOM 180 OE2 GLU A 12 11.527 24.118 -19.043 1.00 0.00 O ATOM 0 H GLU A 12 10.055 20.159 -16.338 1.00 0.00 H new ATOM 0 HA GLU A 12 8.766 22.245 -14.693 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.768 23.821 -16.226 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.015 22.728 -15.661 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.657 21.382 -17.796 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.624 22.682 -18.356 1.00 0.00 H new ATOM 187 N GLU A 13 7.147 20.728 -16.667 1.00 0.00 N ATOM 188 CA GLU A 13 5.948 20.601 -17.486 1.00 0.00 C ATOM 189 C GLU A 13 5.018 19.528 -16.926 1.00 0.00 C ATOM 190 O GLU A 13 3.798 19.697 -16.906 1.00 0.00 O ATOM 191 CB GLU A 13 6.323 20.263 -18.931 1.00 0.00 C ATOM 192 CG GLU A 13 7.612 19.469 -19.055 1.00 0.00 C ATOM 193 CD GLU A 13 7.933 19.098 -20.490 1.00 0.00 C ATOM 194 OE1 GLU A 13 7.206 19.552 -21.397 1.00 0.00 O ATOM 195 OE2 GLU A 13 8.912 18.353 -20.704 1.00 0.00 O ATOM 0 H GLU A 13 7.426 19.870 -16.191 1.00 0.00 H new ATOM 0 HA GLU A 13 5.424 21.557 -17.469 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.511 19.695 -19.385 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.420 21.189 -19.498 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.435 20.052 -18.642 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.534 18.561 -18.458 1.00 0.00 H new ATOM 202 N PHE A 14 5.602 18.424 -16.473 1.00 0.00 N ATOM 203 CA PHE A 14 4.827 17.323 -15.914 1.00 0.00 C ATOM 204 C PHE A 14 5.665 16.514 -14.928 1.00 0.00 C ATOM 205 O PHE A 14 6.818 16.849 -14.656 1.00 0.00 O ATOM 206 CB PHE A 14 4.315 16.413 -17.032 1.00 0.00 C ATOM 207 CG PHE A 14 5.406 15.866 -17.908 1.00 0.00 C ATOM 208 CD1 PHE A 14 5.901 16.610 -18.967 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.938 14.609 -17.671 1.00 0.00 C ATOM 210 CE1 PHE A 14 6.904 16.109 -19.775 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.942 14.103 -18.475 1.00 0.00 C ATOM 212 CZ PHE A 14 7.427 14.855 -19.527 1.00 0.00 C ATOM 0 H PHE A 14 6.610 18.268 -16.482 1.00 0.00 H new ATOM 0 HA PHE A 14 3.976 17.745 -15.380 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.765 15.583 -16.590 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.610 16.970 -17.649 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.498 17.593 -19.163 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.564 14.018 -16.848 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.278 16.697 -20.600 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.347 13.121 -18.281 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.214 14.463 -20.155 1.00 0.00 H new ATOM 222 N ILE A 15 5.076 15.449 -14.396 1.00 0.00 N ATOM 223 CA ILE A 15 5.767 14.591 -13.441 1.00 0.00 C ATOM 224 C ILE A 15 6.164 13.265 -14.080 1.00 0.00 C ATOM 225 O ILE A 15 5.423 12.707 -14.890 1.00 0.00 O ATOM 226 CB ILE A 15 4.896 14.311 -12.202 1.00 0.00 C ATOM 227 CG1 ILE A 15 4.961 15.490 -11.229 1.00 0.00 C ATOM 228 CG2 ILE A 15 5.344 13.028 -11.519 1.00 0.00 C ATOM 229 CD1 ILE A 15 6.307 15.647 -10.559 1.00 0.00 C ATOM 0 H ILE A 15 4.122 15.159 -14.610 1.00 0.00 H new ATOM 0 HA ILE A 15 6.665 15.125 -13.130 1.00 0.00 H new ATOM 0 HB ILE A 15 3.862 14.186 -12.523 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.723 16.408 -11.767 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.196 15.361 -10.463 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.719 12.844 -10.645 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.251 12.194 -12.214 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.384 13.126 -11.207 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.280 16.502 -9.884 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.539 14.745 -9.993 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.074 15.808 -11.317 1.00 0.00 H new ATOM 241 N PHE A 16 7.337 12.763 -13.709 1.00 0.00 N ATOM 242 CA PHE A 16 7.832 11.501 -14.245 1.00 0.00 C ATOM 243 C PHE A 16 8.075 10.492 -13.125 1.00 0.00 C ATOM 244 O PHE A 16 9.100 10.539 -12.443 1.00 0.00 O ATOM 245 CB PHE A 16 9.125 11.728 -15.031 1.00 0.00 C ATOM 246 CG PHE A 16 9.951 10.485 -15.200 1.00 0.00 C ATOM 247 CD1 PHE A 16 9.383 9.322 -15.693 1.00 0.00 C ATOM 248 CD2 PHE A 16 11.296 10.480 -14.865 1.00 0.00 C ATOM 249 CE1 PHE A 16 10.140 8.176 -15.849 1.00 0.00 C ATOM 250 CE2 PHE A 16 12.058 9.338 -15.019 1.00 0.00 C ATOM 251 CZ PHE A 16 11.480 8.185 -15.513 1.00 0.00 C ATOM 0 H PHE A 16 7.962 13.211 -13.039 1.00 0.00 H new ATOM 0 HA PHE A 16 7.073 11.098 -14.916 1.00 0.00 H new ATOM 0 HB2 PHE A 16 8.877 12.126 -16.015 1.00 0.00 H new ATOM 0 HB3 PHE A 16 9.722 12.485 -14.522 1.00 0.00 H new ATOM 0 HD1 PHE A 16 8.336 9.310 -15.959 1.00 0.00 H new ATOM 0 HD2 PHE A 16 11.753 11.379 -14.479 1.00 0.00 H new ATOM 0 HE1 PHE A 16 9.685 7.275 -16.233 1.00 0.00 H new ATOM 0 HE2 PHE A 16 13.105 9.347 -14.753 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.075 7.292 -15.636 1.00 0.00 H new ATOM 261 N LEU A 17 7.126 9.582 -12.941 1.00 0.00 N ATOM 262 CA LEU A 17 7.235 8.562 -11.904 1.00 0.00 C ATOM 263 C LEU A 17 7.875 7.291 -12.455 1.00 0.00 C ATOM 264 O LEU A 17 7.396 6.715 -13.432 1.00 0.00 O ATOM 265 CB LEU A 17 5.854 8.242 -11.328 1.00 0.00 C ATOM 266 CG LEU A 17 5.702 6.870 -10.670 1.00 0.00 C ATOM 267 CD1 LEU A 17 6.640 6.743 -9.479 1.00 0.00 C ATOM 268 CD2 LEU A 17 4.260 6.640 -10.244 1.00 0.00 C ATOM 0 H LEU A 17 6.272 9.529 -13.496 1.00 0.00 H new ATOM 0 HA LEU A 17 7.872 8.953 -11.110 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.604 9.006 -10.591 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.121 8.321 -12.131 1.00 0.00 H new ATOM 0 HG LEU A 17 5.970 6.106 -11.400 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.518 5.760 -9.023 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.671 6.863 -9.813 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.404 7.515 -8.746 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.170 5.659 -9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.964 7.409 -9.531 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.610 6.687 -11.118 1.00 0.00 H new ATOM 280 N LYS A 18 8.960 6.859 -11.821 1.00 0.00 N ATOM 281 CA LYS A 18 9.665 5.655 -12.244 1.00 0.00 C ATOM 282 C LYS A 18 9.465 4.526 -11.238 1.00 0.00 C ATOM 283 O LYS A 18 9.575 4.732 -10.029 1.00 0.00 O ATOM 284 CB LYS A 18 11.158 5.945 -12.410 1.00 0.00 C ATOM 285 CG LYS A 18 12.022 4.697 -12.428 1.00 0.00 C ATOM 286 CD LYS A 18 13.447 5.010 -12.855 1.00 0.00 C ATOM 287 CE LYS A 18 14.083 6.053 -11.949 1.00 0.00 C ATOM 288 NZ LYS A 18 15.554 5.855 -11.823 1.00 0.00 N ATOM 0 H LYS A 18 9.370 7.325 -11.012 1.00 0.00 H new ATOM 0 HA LYS A 18 9.253 5.341 -13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.311 6.496 -13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.486 6.592 -11.597 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.030 4.245 -11.436 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.590 3.964 -13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.043 4.097 -12.835 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.449 5.370 -13.884 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.883 7.049 -12.345 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.624 6.005 -10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.948 6.575 -11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.745 4.908 -11.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 15.998 5.943 -12.759 1.00 0.00 H new ATOM 302 N ILE A 19 9.172 3.333 -11.745 1.00 0.00 N ATOM 303 CA ILE A 19 8.960 2.171 -10.891 1.00 0.00 C ATOM 304 C ILE A 19 9.935 1.051 -11.234 1.00 0.00 C ATOM 305 O ILE A 19 10.065 0.659 -12.394 1.00 0.00 O ATOM 306 CB ILE A 19 7.520 1.638 -11.012 1.00 0.00 C ATOM 307 CG1 ILE A 19 6.514 2.769 -10.789 1.00 0.00 C ATOM 308 CG2 ILE A 19 7.287 0.511 -10.018 1.00 0.00 C ATOM 309 CD1 ILE A 19 5.883 3.277 -12.066 1.00 0.00 C ATOM 0 H ILE A 19 9.076 3.146 -12.743 1.00 0.00 H new ATOM 0 HA ILE A 19 9.133 2.498 -9.866 1.00 0.00 H new ATOM 0 HB ILE A 19 7.378 1.244 -12.018 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.728 2.419 -10.119 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.015 3.596 -10.287 1.00 0.00 H new ATOM 0 HG21 ILE A 19 6.265 0.145 -10.116 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.984 -0.302 -10.220 1.00 0.00 H new ATOM 0 HG23 ILE A 19 7.444 0.881 -9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.181 4.077 -11.832 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.660 3.658 -12.729 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.353 2.462 -12.559 1.00 0.00 H new ATOM 321 N PHE A 20 10.619 0.536 -10.217 1.00 0.00 N ATOM 322 CA PHE A 20 11.583 -0.541 -10.411 1.00 0.00 C ATOM 323 C PHE A 20 10.929 -1.902 -10.191 1.00 0.00 C ATOM 324 O PHE A 20 10.469 -2.211 -9.091 1.00 0.00 O ATOM 325 CB PHE A 20 12.768 -0.371 -9.458 1.00 0.00 C ATOM 326 CG PHE A 20 13.425 0.976 -9.551 1.00 0.00 C ATOM 327 CD1 PHE A 20 14.219 1.300 -10.640 1.00 0.00 C ATOM 328 CD2 PHE A 20 13.249 1.918 -8.551 1.00 0.00 C ATOM 329 CE1 PHE A 20 14.825 2.539 -10.729 1.00 0.00 C ATOM 330 CE2 PHE A 20 13.852 3.159 -8.636 1.00 0.00 C ATOM 331 CZ PHE A 20 14.642 3.469 -9.726 1.00 0.00 C ATOM 0 H PHE A 20 10.523 0.847 -9.250 1.00 0.00 H new ATOM 0 HA PHE A 20 11.943 -0.493 -11.439 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.427 -0.530 -8.435 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.508 -1.143 -9.670 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.366 0.576 -11.428 1.00 0.00 H new ATOM 0 HD2 PHE A 20 12.634 1.680 -7.696 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.441 2.779 -11.583 1.00 0.00 H new ATOM 0 HE2 PHE A 20 13.706 3.886 -7.851 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.116 4.437 -9.793 1.00 0.00 H new ATOM 341 N ILE A 21 10.890 -2.710 -11.244 1.00 0.00 N ATOM 342 CA ILE A 21 10.294 -4.038 -11.167 1.00 0.00 C ATOM 343 C ILE A 21 11.145 -5.067 -11.902 1.00 0.00 C ATOM 344 O ILE A 21 11.954 -4.719 -12.761 1.00 0.00 O ATOM 345 CB ILE A 21 8.870 -4.050 -11.755 1.00 0.00 C ATOM 346 CG1 ILE A 21 8.903 -3.663 -13.235 1.00 0.00 C ATOM 347 CG2 ILE A 21 7.966 -3.107 -10.975 1.00 0.00 C ATOM 348 CD1 ILE A 21 7.613 -3.962 -13.967 1.00 0.00 C ATOM 0 H ILE A 21 11.264 -2.468 -12.162 1.00 0.00 H new ATOM 0 HA ILE A 21 10.245 -4.301 -10.110 1.00 0.00 H new ATOM 0 HB ILE A 21 8.467 -5.059 -11.671 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.120 -2.598 -13.319 1.00 0.00 H new ATOM 0 HG13 ILE A 21 9.720 -4.195 -13.723 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.964 -3.127 -11.403 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.922 -3.424 -9.933 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.364 -2.094 -11.030 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.709 -3.662 -15.010 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.404 -5.030 -13.914 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.795 -3.409 -13.504 1.00 0.00 H new ATOM 492 N LEU A 31 -2.692 -3.764 -16.629 1.00 0.00 N ATOM 493 CA LEU A 31 -2.017 -2.471 -16.657 1.00 0.00 C ATOM 494 C LEU A 31 -3.007 -1.347 -16.945 1.00 0.00 C ATOM 495 O LEU A 31 -3.621 -1.305 -18.010 1.00 0.00 O ATOM 496 CB LEU A 31 -0.910 -2.474 -17.713 1.00 0.00 C ATOM 497 CG LEU A 31 -0.124 -3.777 -17.857 1.00 0.00 C ATOM 498 CD1 LEU A 31 0.964 -3.631 -18.910 1.00 0.00 C ATOM 499 CD2 LEU A 31 0.477 -4.189 -16.521 1.00 0.00 C ATOM 0 HA LEU A 31 -1.574 -2.298 -15.676 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.355 -2.233 -18.678 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.208 -1.674 -17.477 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.811 -4.559 -18.180 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.513 -4.569 -18.998 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.511 -3.384 -19.870 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.649 -2.836 -18.617 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.033 -5.119 -16.643 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.150 -3.408 -16.168 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.321 -4.336 -15.793 1.00 0.00 H new ATOM 511 N GLU A 32 -3.155 -0.436 -15.987 1.00 0.00 N ATOM 512 CA GLU A 32 -4.069 0.689 -16.140 1.00 0.00 C ATOM 513 C GLU A 32 -3.948 1.652 -14.962 1.00 0.00 C ATOM 514 O GLU A 32 -4.714 1.574 -14.001 1.00 0.00 O ATOM 515 CB GLU A 32 -5.511 0.191 -16.258 1.00 0.00 C ATOM 516 CG GLU A 32 -6.464 1.219 -16.846 1.00 0.00 C ATOM 517 CD GLU A 32 -6.453 1.225 -18.362 1.00 0.00 C ATOM 518 OE1 GLU A 32 -6.877 0.214 -18.962 1.00 0.00 O ATOM 519 OE2 GLU A 32 -6.021 2.238 -18.949 1.00 0.00 O ATOM 0 H GLU A 32 -2.654 -0.456 -15.099 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.800 1.221 -17.052 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.528 -0.704 -16.879 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.868 -0.100 -15.270 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.475 1.014 -16.495 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.194 2.210 -16.481 1.00 0.00 H new ATOM 526 N ILE A 33 -2.980 2.559 -15.044 1.00 0.00 N ATOM 527 CA ILE A 33 -2.758 3.537 -13.987 1.00 0.00 C ATOM 528 C ILE A 33 -3.729 4.706 -14.106 1.00 0.00 C ATOM 529 O ILE A 33 -3.909 5.268 -15.187 1.00 0.00 O ATOM 530 CB ILE A 33 -1.316 4.077 -14.013 1.00 0.00 C ATOM 531 CG1 ILE A 33 -0.316 2.934 -13.832 1.00 0.00 C ATOM 532 CG2 ILE A 33 -1.125 5.132 -12.933 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.129 3.376 -13.910 1.00 0.00 C ATOM 0 H ILE A 33 -2.337 2.636 -15.832 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.927 3.022 -13.041 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.136 4.541 -14.983 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.490 2.459 -12.867 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.498 2.179 -14.596 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.101 5.504 -12.965 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.816 5.957 -13.104 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.321 4.692 -11.955 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.781 2.513 -13.773 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.320 3.824 -14.885 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.328 4.109 -13.128 1.00 0.00 H new ATOM 545 N ILE A 34 -4.352 5.068 -12.989 1.00 0.00 N ATOM 546 CA ILE A 34 -5.302 6.172 -12.969 1.00 0.00 C ATOM 547 C ILE A 34 -4.924 7.204 -11.911 1.00 0.00 C ATOM 548 O ILE A 34 -4.521 6.852 -10.802 1.00 0.00 O ATOM 549 CB ILE A 34 -6.735 5.677 -12.696 1.00 0.00 C ATOM 550 CG1 ILE A 34 -7.689 6.864 -12.546 1.00 0.00 C ATOM 551 CG2 ILE A 34 -6.766 4.805 -11.450 1.00 0.00 C ATOM 552 CD1 ILE A 34 -7.899 7.292 -11.111 1.00 0.00 C ATOM 0 H ILE A 34 -4.215 4.612 -12.087 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.267 6.635 -13.955 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.063 5.076 -13.544 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.299 7.708 -13.115 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.653 6.603 -12.984 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.785 4.463 -11.270 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.114 3.943 -11.593 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.421 5.383 -10.593 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.586 8.138 -11.080 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.319 6.463 -10.542 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -6.944 7.585 -10.675 1.00 0.00 H new ATOM 564 N ILE A 35 -5.057 8.479 -12.262 1.00 0.00 N ATOM 565 CA ILE A 35 -4.732 9.561 -11.342 1.00 0.00 C ATOM 566 C ILE A 35 -5.992 10.144 -10.711 1.00 0.00 C ATOM 567 O ILE A 35 -6.946 10.486 -11.409 1.00 0.00 O ATOM 568 CB ILE A 35 -3.958 10.689 -12.050 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.670 10.142 -12.670 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.646 11.812 -11.073 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.637 10.240 -14.179 1.00 0.00 C ATOM 0 H ILE A 35 -5.387 8.787 -13.176 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.102 9.133 -10.562 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.581 11.091 -12.848 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.819 10.686 -12.260 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.551 9.098 -12.379 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.099 12.601 -11.589 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.576 12.216 -10.674 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.039 11.424 -10.255 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.696 9.834 -14.549 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.467 9.672 -14.599 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.724 11.285 -14.478 1.00 0.00 H new ATOM 583 N GLN A 36 -5.987 10.255 -9.386 1.00 0.00 N ATOM 584 CA GLN A 36 -7.130 10.798 -8.661 1.00 0.00 C ATOM 585 C GLN A 36 -7.193 12.315 -8.801 1.00 0.00 C ATOM 586 O GLN A 36 -6.413 12.912 -9.544 1.00 0.00 O ATOM 587 CB GLN A 36 -7.052 10.413 -7.183 1.00 0.00 C ATOM 588 CG GLN A 36 -7.740 9.097 -6.860 1.00 0.00 C ATOM 589 CD GLN A 36 -9.173 9.052 -7.351 1.00 0.00 C ATOM 590 OE1 GLN A 36 -9.613 8.057 -7.928 1.00 0.00 O ATOM 591 NE2 GLN A 36 -9.912 10.132 -7.124 1.00 0.00 N ATOM 0 H GLN A 36 -5.205 9.976 -8.793 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.037 10.374 -9.092 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.005 10.348 -6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.503 11.205 -6.585 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.180 8.278 -7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.724 8.938 -5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.507 10.935 -6.642 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.884 10.159 -7.431 1.00 0.00 H new ATOM 600 N GLU A 37 -8.125 12.933 -8.083 1.00 0.00 N ATOM 601 CA GLU A 37 -8.290 14.381 -8.130 1.00 0.00 C ATOM 602 C GLU A 37 -6.952 15.087 -7.932 1.00 0.00 C ATOM 603 O GLU A 37 -6.684 16.116 -8.551 1.00 0.00 O ATOM 604 CB GLU A 37 -9.284 14.838 -7.060 1.00 0.00 C ATOM 605 CG GLU A 37 -9.100 14.142 -5.722 1.00 0.00 C ATOM 606 CD GLU A 37 -9.508 15.015 -4.550 1.00 0.00 C ATOM 607 OE1 GLU A 37 -10.181 16.041 -4.779 1.00 0.00 O ATOM 608 OE2 GLU A 37 -9.153 14.670 -3.403 1.00 0.00 O ATOM 0 H GLU A 37 -8.777 12.454 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.679 14.646 -9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.182 15.914 -6.917 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.298 14.658 -7.417 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.689 13.225 -5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.056 13.852 -5.608 1.00 0.00 H new ATOM 615 N ASN A 38 -6.117 14.527 -7.063 1.00 0.00 N ATOM 616 CA ASN A 38 -4.807 15.103 -6.782 1.00 0.00 C ATOM 617 C ASN A 38 -3.738 14.016 -6.712 1.00 0.00 C ATOM 618 O ASN A 38 -2.714 14.094 -7.390 1.00 0.00 O ATOM 619 CB ASN A 38 -4.842 15.884 -5.467 1.00 0.00 C ATOM 620 CG ASN A 38 -5.410 15.066 -4.323 1.00 0.00 C ATOM 621 OD1 ASN A 38 -6.625 14.906 -4.204 1.00 0.00 O ATOM 622 ND2 ASN A 38 -4.532 14.544 -3.475 1.00 0.00 N ATOM 0 H ASN A 38 -6.324 13.675 -6.541 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.555 15.784 -7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.833 16.207 -5.213 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.441 16.785 -5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.856 13.984 -2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -3.534 14.703 -3.612 1.00 0.00 H new ATOM 629 N MET A 39 -3.985 13.003 -5.888 1.00 0.00 N ATOM 630 CA MET A 39 -3.045 11.899 -5.732 1.00 0.00 C ATOM 631 C MET A 39 -3.090 10.971 -6.941 1.00 0.00 C ATOM 632 O MET A 39 -3.981 11.078 -7.785 1.00 0.00 O ATOM 633 CB MET A 39 -3.358 11.111 -4.458 1.00 0.00 C ATOM 634 CG MET A 39 -4.091 9.805 -4.716 1.00 0.00 C ATOM 635 SD MET A 39 -4.725 9.053 -3.204 1.00 0.00 S ATOM 636 CE MET A 39 -3.231 8.960 -2.221 1.00 0.00 C ATOM 0 H MET A 39 -4.827 12.924 -5.318 1.00 0.00 H new ATOM 0 HA MET A 39 -2.042 12.318 -5.655 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.426 10.898 -3.934 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.961 11.732 -3.795 1.00 0.00 H new ATOM 0 HG2 MET A 39 -4.919 9.987 -5.401 1.00 0.00 H new ATOM 0 HG3 MET A 39 -3.416 9.106 -5.210 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.368 8.234 -1.419 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.398 8.650 -2.853 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.016 9.939 -1.792 1.00 0.00 H new ATOM 646 N ILE A 40 -2.124 10.061 -7.020 1.00 0.00 N ATOM 647 CA ILE A 40 -2.055 9.115 -8.126 1.00 0.00 C ATOM 648 C ILE A 40 -2.202 7.680 -7.632 1.00 0.00 C ATOM 649 O ILE A 40 -1.622 7.301 -6.614 1.00 0.00 O ATOM 650 CB ILE A 40 -0.729 9.247 -8.898 1.00 0.00 C ATOM 651 CG1 ILE A 40 -0.597 10.650 -9.493 1.00 0.00 C ATOM 652 CG2 ILE A 40 -0.645 8.192 -9.991 1.00 0.00 C ATOM 653 CD1 ILE A 40 0.770 10.934 -10.075 1.00 0.00 C ATOM 0 H ILE A 40 -1.379 9.960 -6.331 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.881 9.352 -8.796 1.00 0.00 H new ATOM 0 HB ILE A 40 0.096 9.089 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.348 10.777 -10.272 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.813 11.386 -8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.298 8.298 -10.528 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.698 7.199 -9.544 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.475 8.321 -10.686 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.790 11.946 -10.479 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.525 10.839 -9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.981 10.221 -10.872 1.00 0.00 H new ATOM 665 N ILE A 41 -2.980 6.886 -8.360 1.00 0.00 N ATOM 666 CA ILE A 41 -3.201 5.492 -7.997 1.00 0.00 C ATOM 667 C ILE A 41 -2.488 4.553 -8.964 1.00 0.00 C ATOM 668 O ILE A 41 -2.765 4.552 -10.164 1.00 0.00 O ATOM 669 CB ILE A 41 -4.702 5.146 -7.977 1.00 0.00 C ATOM 670 CG1 ILE A 41 -5.437 6.031 -6.968 1.00 0.00 C ATOM 671 CG2 ILE A 41 -4.902 3.675 -7.644 1.00 0.00 C ATOM 672 CD1 ILE A 41 -4.899 5.916 -5.559 1.00 0.00 C ATOM 0 H ILE A 41 -3.468 7.184 -9.205 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.792 5.358 -6.995 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.117 5.334 -8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.369 7.070 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.494 5.766 -6.967 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.968 3.446 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.406 3.061 -8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.476 3.463 -6.664 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.467 6.571 -4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.992 4.885 -5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.849 6.209 -5.545 1.00 0.00 H new ATOM 684 N PHE A 42 -1.569 3.753 -8.434 1.00 0.00 N ATOM 685 CA PHE A 42 -0.816 2.807 -9.250 1.00 0.00 C ATOM 686 C PHE A 42 -1.459 1.424 -9.212 1.00 0.00 C ATOM 687 O PHE A 42 -1.373 0.714 -8.209 1.00 0.00 O ATOM 688 CB PHE A 42 0.633 2.722 -8.763 1.00 0.00 C ATOM 689 CG PHE A 42 1.457 1.713 -9.510 1.00 0.00 C ATOM 690 CD1 PHE A 42 1.981 2.014 -10.758 1.00 0.00 C ATOM 691 CD2 PHE A 42 1.710 0.465 -8.965 1.00 0.00 C ATOM 692 CE1 PHE A 42 2.739 1.087 -11.447 1.00 0.00 C ATOM 693 CE2 PHE A 42 2.468 -0.466 -9.650 1.00 0.00 C ATOM 694 CZ PHE A 42 2.984 -0.154 -10.892 1.00 0.00 C ATOM 0 H PHE A 42 -1.327 3.741 -7.443 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.826 3.165 -10.280 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.099 3.703 -8.859 1.00 0.00 H new ATOM 0 HB3 PHE A 42 0.638 2.470 -7.703 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.795 2.983 -11.196 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.310 0.216 -7.993 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.140 1.333 -12.419 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.656 -1.436 -9.214 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.578 -0.879 -11.429 1.00 0.00 H new ATOM 704 N HIS A 43 -2.103 1.048 -10.312 1.00 0.00 N ATOM 705 CA HIS A 43 -2.762 -0.251 -10.406 1.00 0.00 C ATOM 706 C HIS A 43 -1.950 -1.210 -11.272 1.00 0.00 C ATOM 707 O HIS A 43 -2.140 -2.425 -11.215 1.00 0.00 O ATOM 708 CB HIS A 43 -4.169 -0.092 -10.981 1.00 0.00 C ATOM 709 CG HIS A 43 -5.176 -1.013 -10.364 1.00 0.00 C ATOM 710 ND1 HIS A 43 -6.532 -0.910 -10.595 1.00 0.00 N ATOM 711 CD2 HIS A 43 -5.018 -2.060 -9.521 1.00 0.00 C ATOM 712 CE1 HIS A 43 -7.164 -1.853 -9.920 1.00 0.00 C ATOM 713 NE2 HIS A 43 -6.268 -2.565 -9.260 1.00 0.00 N ATOM 0 H HIS A 43 -2.183 1.623 -11.150 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.834 -0.669 -9.402 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.496 0.938 -10.839 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.136 -0.271 -12.056 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.083 -2.430 -9.127 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -8.232 -2.015 -9.909 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.472 -3.361 -8.655 1.00 0.00 H new ATOM 721 N LEU A 44 -1.047 -0.656 -12.073 1.00 0.00 N ATOM 722 CA LEU A 44 -0.207 -1.462 -12.951 1.00 0.00 C ATOM 723 C LEU A 44 0.542 -2.530 -12.160 1.00 0.00 C ATOM 724 O LEU A 44 0.744 -2.395 -10.953 1.00 0.00 O ATOM 725 CB LEU A 44 0.789 -0.571 -13.696 1.00 0.00 C ATOM 726 CG LEU A 44 1.060 -0.940 -15.155 1.00 0.00 C ATOM 727 CD1 LEU A 44 1.181 0.313 -16.009 1.00 0.00 C ATOM 728 CD2 LEU A 44 2.319 -1.787 -15.265 1.00 0.00 C ATOM 0 H LEU A 44 -0.878 0.348 -12.133 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.853 -1.959 -13.675 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.422 0.455 -13.664 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.736 -0.588 -13.156 1.00 0.00 H new ATOM 0 HG LEU A 44 0.218 -1.526 -15.524 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.374 0.031 -17.044 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.252 0.881 -15.955 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.004 0.926 -15.641 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.497 -2.041 -16.310 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.170 -1.226 -14.878 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.194 -2.702 -14.686 1.00 0.00 H new ATOM 740 N SER A 45 0.953 -3.590 -12.849 1.00 0.00 N ATOM 741 CA SER A 45 1.678 -4.682 -12.210 1.00 0.00 C ATOM 742 C SER A 45 0.814 -5.363 -11.153 1.00 0.00 C ATOM 743 O SER A 45 -0.230 -4.853 -10.746 1.00 0.00 O ATOM 744 CB SER A 45 2.968 -4.162 -11.573 1.00 0.00 C ATOM 745 OG SER A 45 2.942 -4.321 -10.165 1.00 0.00 O ATOM 0 H SER A 45 0.796 -3.716 -13.849 1.00 0.00 H new ATOM 0 HA SER A 45 1.929 -5.415 -12.976 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.823 -4.697 -11.987 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.101 -3.109 -11.821 1.00 0.00 H new ATOM 0 HG SER A 45 2.430 -3.589 -9.763 1.00 0.00 H new ATOM 751 N PRO A 46 1.259 -6.543 -10.697 1.00 0.00 N ATOM 752 CA PRO A 46 0.542 -7.320 -9.681 1.00 0.00 C ATOM 753 C PRO A 46 0.589 -6.660 -8.307 1.00 0.00 C ATOM 754 O PRO A 46 -0.050 -7.125 -7.363 1.00 0.00 O ATOM 755 CB PRO A 46 1.293 -8.654 -9.660 1.00 0.00 C ATOM 756 CG PRO A 46 2.664 -8.325 -10.143 1.00 0.00 C ATOM 757 CD PRO A 46 2.496 -7.210 -11.137 1.00 0.00 C ATOM 0 HA PRO A 46 -0.519 -7.416 -9.914 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.318 -9.078 -8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.812 -9.389 -10.305 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.306 -8.018 -9.317 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.134 -9.193 -10.606 1.00 0.00 H new ATOM 0 HD2 PRO A 46 3.346 -6.528 -11.124 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.408 -7.589 -12.155 1.00 0.00 H new ATOM 765 N TYR A 47 1.349 -5.576 -8.202 1.00 0.00 N ATOM 766 CA TYR A 47 1.480 -4.853 -6.943 1.00 0.00 C ATOM 767 C TYR A 47 0.803 -3.488 -7.024 1.00 0.00 C ATOM 768 O TYR A 47 1.048 -2.716 -7.951 1.00 0.00 O ATOM 769 CB TYR A 47 2.956 -4.682 -6.580 1.00 0.00 C ATOM 770 CG TYR A 47 3.784 -5.927 -6.808 1.00 0.00 C ATOM 771 CD1 TYR A 47 3.381 -7.156 -6.300 1.00 0.00 C ATOM 772 CD2 TYR A 47 4.969 -5.874 -7.532 1.00 0.00 C ATOM 773 CE1 TYR A 47 4.135 -8.295 -6.505 1.00 0.00 C ATOM 774 CE2 TYR A 47 5.728 -7.009 -7.743 1.00 0.00 C ATOM 775 CZ TYR A 47 5.307 -8.217 -7.227 1.00 0.00 C ATOM 776 OH TYR A 47 6.060 -9.350 -7.435 1.00 0.00 O ATOM 0 H TYR A 47 1.884 -5.178 -8.974 1.00 0.00 H new ATOM 0 HA TYR A 47 0.987 -5.437 -6.166 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.374 -3.865 -7.168 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.033 -4.392 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.463 -7.222 -5.735 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.302 -4.930 -7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.808 -9.242 -6.102 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.646 -6.951 -8.309 1.00 0.00 H new ATOM 0 HH TYR A 47 6.854 -9.123 -7.963 1.00 0.00 H new ATOM 786 N TYR A 48 -0.049 -3.199 -6.047 1.00 0.00 N ATOM 787 CA TYR A 48 -0.763 -1.928 -6.007 1.00 0.00 C ATOM 788 C TYR A 48 -0.030 -0.918 -5.130 1.00 0.00 C ATOM 789 O TYR A 48 0.344 -1.220 -3.995 1.00 0.00 O ATOM 790 CB TYR A 48 -2.186 -2.136 -5.486 1.00 0.00 C ATOM 791 CG TYR A 48 -2.970 -0.851 -5.337 1.00 0.00 C ATOM 792 CD1 TYR A 48 -2.829 -0.056 -4.207 1.00 0.00 C ATOM 793 CD2 TYR A 48 -3.850 -0.432 -6.328 1.00 0.00 C ATOM 794 CE1 TYR A 48 -3.543 1.118 -4.066 1.00 0.00 C ATOM 795 CE2 TYR A 48 -4.567 0.741 -6.196 1.00 0.00 C ATOM 796 CZ TYR A 48 -4.411 1.512 -5.064 1.00 0.00 C ATOM 797 OH TYR A 48 -5.123 2.682 -4.928 1.00 0.00 O ATOM 0 H TYR A 48 -0.262 -3.827 -5.272 1.00 0.00 H new ATOM 0 HA TYR A 48 -0.809 -1.533 -7.022 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.719 -2.801 -6.166 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.140 -2.638 -4.520 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.149 -0.361 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.975 -1.034 -7.216 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.423 1.724 -3.180 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.246 1.053 -6.976 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.088 2.980 -3.995 1.00 0.00 H new ATOM 807 N LEU A 49 0.171 0.282 -5.662 1.00 0.00 N ATOM 808 CA LEU A 49 0.858 1.339 -4.929 1.00 0.00 C ATOM 809 C LEU A 49 0.048 2.631 -4.948 1.00 0.00 C ATOM 810 O LEU A 49 -0.673 2.909 -5.907 1.00 0.00 O ATOM 811 CB LEU A 49 2.244 1.584 -5.528 1.00 0.00 C ATOM 812 CG LEU A 49 3.125 2.593 -4.791 1.00 0.00 C ATOM 813 CD1 LEU A 49 3.556 2.040 -3.441 1.00 0.00 C ATOM 814 CD2 LEU A 49 4.339 2.957 -5.633 1.00 0.00 C ATOM 0 H LEU A 49 -0.132 0.548 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 49 0.968 1.016 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.773 0.632 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.119 1.924 -6.556 1.00 0.00 H new ATOM 0 HG LEU A 49 2.542 3.498 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.182 2.772 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.674 1.832 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.121 1.119 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.954 3.676 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.923 2.060 -5.836 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.010 3.397 -6.575 1.00 0.00 H new ATOM 826 N ARG A 50 0.172 3.417 -3.884 1.00 0.00 N ATOM 827 CA ARG A 50 -0.548 4.680 -3.779 1.00 0.00 C ATOM 828 C ARG A 50 0.414 5.835 -3.514 1.00 0.00 C ATOM 829 O ARG A 50 1.238 5.773 -2.601 1.00 0.00 O ATOM 830 CB ARG A 50 -1.592 4.606 -2.663 1.00 0.00 C ATOM 831 CG ARG A 50 -2.517 5.811 -2.612 1.00 0.00 C ATOM 832 CD ARG A 50 -3.901 5.430 -2.112 1.00 0.00 C ATOM 833 NE ARG A 50 -3.896 5.095 -0.691 1.00 0.00 N ATOM 834 CZ ARG A 50 -4.897 4.471 -0.079 1.00 0.00 C ATOM 835 NH1 ARG A 50 -5.977 4.116 -0.762 1.00 0.00 N ATOM 836 NH2 ARG A 50 -4.819 4.201 1.218 1.00 0.00 N ATOM 0 H ARG A 50 0.764 3.201 -3.082 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.053 4.861 -4.728 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.191 3.705 -2.796 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.081 4.510 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.090 6.572 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.597 6.252 -3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.590 6.256 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.272 4.579 -2.684 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.079 5.354 -0.138 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.040 4.322 -1.759 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.744 3.637 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.990 4.473 1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.588 3.722 1.686 1.00 0.00 H new ATOM 850 N LEU A 51 0.304 6.886 -4.318 1.00 0.00 N ATOM 851 CA LEU A 51 1.165 8.055 -4.171 1.00 0.00 C ATOM 852 C LEU A 51 0.348 9.290 -3.805 1.00 0.00 C ATOM 853 O LEU A 51 -0.592 9.656 -4.512 1.00 0.00 O ATOM 854 CB LEU A 51 1.941 8.307 -5.465 1.00 0.00 C ATOM 855 CG LEU A 51 2.942 7.225 -5.869 1.00 0.00 C ATOM 856 CD1 LEU A 51 3.573 7.556 -7.213 1.00 0.00 C ATOM 857 CD2 LEU A 51 4.013 7.063 -4.800 1.00 0.00 C ATOM 0 H LEU A 51 -0.372 6.953 -5.078 1.00 0.00 H new ATOM 0 HA LEU A 51 1.871 7.857 -3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.224 8.432 -6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.477 9.251 -5.366 1.00 0.00 H new ATOM 0 HG LEU A 51 2.407 6.280 -5.965 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.283 6.774 -7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.795 7.620 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.094 8.511 -7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.717 6.289 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.544 8.006 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.546 6.778 -3.857 1.00 0.00 H new ATOM 869 N ARG A 52 0.714 9.929 -2.699 1.00 0.00 N ATOM 870 CA ARG A 52 0.016 11.124 -2.241 1.00 0.00 C ATOM 871 C ARG A 52 0.957 12.325 -2.208 1.00 0.00 C ATOM 872 O ARG A 52 1.801 12.441 -1.319 1.00 0.00 O ATOM 873 CB ARG A 52 -0.580 10.891 -0.851 1.00 0.00 C ATOM 874 CG ARG A 52 -1.754 11.802 -0.531 1.00 0.00 C ATOM 875 CD ARG A 52 -1.297 13.227 -0.262 1.00 0.00 C ATOM 876 NE ARG A 52 -0.269 13.286 0.774 1.00 0.00 N ATOM 877 CZ ARG A 52 -0.533 13.238 2.075 1.00 0.00 C ATOM 878 NH1 ARG A 52 -1.785 13.130 2.497 1.00 0.00 N ATOM 879 NH2 ARG A 52 0.457 13.297 2.957 1.00 0.00 N ATOM 0 H ARG A 52 1.490 9.639 -2.104 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.790 11.335 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.905 9.853 -0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.198 11.038 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.458 11.796 -1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.286 11.419 0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.909 13.663 -1.183 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.152 13.831 0.041 1.00 0.00 H new ATOM 0 HE ARG A 52 0.705 13.369 0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.548 13.084 1.822 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.985 13.093 3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.422 13.379 2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.253 13.260 3.956 1.00 0.00 H new ATOM 893 N PHE A 53 0.805 13.215 -3.182 1.00 0.00 N ATOM 894 CA PHE A 53 1.642 14.407 -3.266 1.00 0.00 C ATOM 895 C PHE A 53 0.957 15.600 -2.606 1.00 0.00 C ATOM 896 O PHE A 53 -0.267 15.656 -2.484 1.00 0.00 O ATOM 897 CB PHE A 53 1.961 14.730 -4.727 1.00 0.00 C ATOM 898 CG PHE A 53 2.532 13.568 -5.488 1.00 0.00 C ATOM 899 CD1 PHE A 53 3.236 12.571 -4.831 1.00 0.00 C ATOM 900 CD2 PHE A 53 2.364 13.471 -6.859 1.00 0.00 C ATOM 901 CE1 PHE A 53 3.762 11.501 -5.529 1.00 0.00 C ATOM 902 CE2 PHE A 53 2.888 12.403 -7.563 1.00 0.00 C ATOM 903 CZ PHE A 53 3.587 11.416 -6.896 1.00 0.00 C ATOM 0 H PHE A 53 0.110 13.134 -3.925 1.00 0.00 H new ATOM 0 HA PHE A 53 2.572 14.206 -2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.051 15.067 -5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.668 15.559 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.375 12.631 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.817 14.239 -7.385 1.00 0.00 H new ATOM 0 HE1 PHE A 53 4.310 10.731 -5.006 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.751 12.340 -8.632 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.996 10.579 -7.443 1.00 0.00 H new ATOM 913 N PRO A 54 1.765 16.579 -2.170 1.00 0.00 N ATOM 914 CA PRO A 54 1.259 17.789 -1.516 1.00 0.00 C ATOM 915 C PRO A 54 0.513 18.702 -2.483 1.00 0.00 C ATOM 916 O PRO A 54 -0.098 19.690 -2.073 1.00 0.00 O ATOM 917 CB PRO A 54 2.530 18.474 -1.007 1.00 0.00 C ATOM 918 CG PRO A 54 3.611 17.985 -1.908 1.00 0.00 C ATOM 919 CD PRO A 54 3.233 16.579 -2.283 1.00 0.00 C ATOM 0 HA PRO A 54 0.539 17.558 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.439 19.559 -1.050 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.732 18.212 0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.696 18.615 -2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.578 18.008 -1.406 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.558 16.331 -3.293 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.688 15.849 -1.614 1.00 0.00 H new ATOM 927 N HIS A 55 0.566 18.366 -3.768 1.00 0.00 N ATOM 928 CA HIS A 55 -0.107 19.155 -4.793 1.00 0.00 C ATOM 929 C HIS A 55 -1.258 18.370 -5.415 1.00 0.00 C ATOM 930 O HIS A 55 -1.615 17.293 -4.939 1.00 0.00 O ATOM 931 CB HIS A 55 0.886 19.573 -5.878 1.00 0.00 C ATOM 932 CG HIS A 55 2.006 20.426 -5.368 1.00 0.00 C ATOM 933 ND1 HIS A 55 1.953 21.804 -5.344 1.00 0.00 N ATOM 934 CD2 HIS A 55 3.214 20.089 -4.859 1.00 0.00 C ATOM 935 CE1 HIS A 55 3.080 22.277 -4.845 1.00 0.00 C ATOM 936 NE2 HIS A 55 3.863 21.257 -4.542 1.00 0.00 N ATOM 0 H HIS A 55 1.068 17.553 -4.124 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.514 20.048 -4.320 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.303 18.679 -6.341 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.352 20.116 -6.658 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.596 19.088 -4.727 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.321 23.321 -4.708 1.00 0.00 H new ATOM 0 HE2 HIS A 55 4.797 21.326 -4.138 1.00 0.00 H new ATOM 944 N GLU A 56 -1.835 18.919 -6.480 1.00 0.00 N ATOM 945 CA GLU A 56 -2.946 18.270 -7.165 1.00 0.00 C ATOM 946 C GLU A 56 -2.640 18.090 -8.649 1.00 0.00 C ATOM 947 O GLU A 56 -2.384 19.060 -9.364 1.00 0.00 O ATOM 948 CB GLU A 56 -4.228 19.087 -6.993 1.00 0.00 C ATOM 949 CG GLU A 56 -4.024 20.583 -7.170 1.00 0.00 C ATOM 950 CD GLU A 56 -3.618 21.273 -5.882 1.00 0.00 C ATOM 951 OE1 GLU A 56 -4.446 21.320 -4.949 1.00 0.00 O ATOM 952 OE2 GLU A 56 -2.473 21.765 -5.808 1.00 0.00 O ATOM 0 H GLU A 56 -1.551 19.811 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.089 17.286 -6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.969 18.742 -7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.638 18.899 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.258 20.754 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.946 21.030 -7.542 1.00 0.00 H new ATOM 959 N LEU A 57 -2.668 16.843 -9.106 1.00 0.00 N ATOM 960 CA LEU A 57 -2.393 16.534 -10.505 1.00 0.00 C ATOM 961 C LEU A 57 -3.689 16.320 -11.280 1.00 0.00 C ATOM 962 O LEU A 57 -4.782 16.463 -10.732 1.00 0.00 O ATOM 963 CB LEU A 57 -1.512 15.288 -10.609 1.00 0.00 C ATOM 964 CG LEU A 57 -0.277 15.261 -9.707 1.00 0.00 C ATOM 965 CD1 LEU A 57 -0.058 13.866 -9.143 1.00 0.00 C ATOM 966 CD2 LEU A 57 0.952 15.729 -10.472 1.00 0.00 C ATOM 0 H LEU A 57 -2.878 16.029 -8.528 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.866 17.382 -10.942 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.123 14.415 -10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.184 15.185 -11.643 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.444 15.944 -8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.825 13.866 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.929 13.569 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.087 13.161 -9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.821 15.703 -9.815 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.122 15.071 -11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.794 16.748 -10.825 1.00 0.00 H new ATOM 978 N ILE A 58 -3.559 15.975 -12.557 1.00 0.00 N ATOM 979 CA ILE A 58 -4.720 15.739 -13.406 1.00 0.00 C ATOM 980 C ILE A 58 -4.418 14.687 -14.468 1.00 0.00 C ATOM 981 O ILE A 58 -3.304 14.616 -14.987 1.00 0.00 O ATOM 982 CB ILE A 58 -5.184 17.034 -14.098 1.00 0.00 C ATOM 983 CG1 ILE A 58 -6.372 16.748 -15.018 1.00 0.00 C ATOM 984 CG2 ILE A 58 -4.038 17.656 -14.881 1.00 0.00 C ATOM 985 CD1 ILE A 58 -6.961 17.990 -15.648 1.00 0.00 C ATOM 0 H ILE A 58 -2.661 15.853 -13.026 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.518 15.378 -12.757 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.503 17.743 -13.334 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.054 16.066 -15.807 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.148 16.237 -14.448 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.382 18.570 -15.364 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.218 17.891 -14.202 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.691 16.953 -15.639 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.799 17.711 -16.287 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.310 18.664 -14.866 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.199 18.491 -16.246 1.00 0.00 H new ATOM 997 N ASP A 59 -5.419 13.875 -14.789 1.00 0.00 N ATOM 998 CA ASP A 59 -5.262 12.829 -15.793 1.00 0.00 C ATOM 999 C ASP A 59 -5.907 13.241 -17.113 1.00 0.00 C ATOM 1000 O ASP A 59 -7.132 13.299 -17.225 1.00 0.00 O ATOM 1001 CB ASP A 59 -5.879 11.520 -15.297 1.00 0.00 C ATOM 1002 CG ASP A 59 -6.336 10.627 -16.434 1.00 0.00 C ATOM 1003 OD1 ASP A 59 -5.538 10.400 -17.367 1.00 0.00 O ATOM 1004 OD2 ASP A 59 -7.493 10.157 -16.391 1.00 0.00 O ATOM 0 H ASP A 59 -6.347 13.921 -14.369 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.196 12.679 -15.962 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.149 10.985 -14.690 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.728 11.744 -14.651 1.00 0.00 H new ATOM 1009 N ASP A 60 -5.075 13.527 -18.108 1.00 0.00 N ATOM 1010 CA ASP A 60 -5.564 13.934 -19.420 1.00 0.00 C ATOM 1011 C ASP A 60 -5.103 12.958 -20.498 1.00 0.00 C ATOM 1012 O ASP A 60 -4.604 11.875 -20.195 1.00 0.00 O ATOM 1013 CB ASP A 60 -5.079 15.346 -19.753 1.00 0.00 C ATOM 1014 CG ASP A 60 -6.176 16.210 -20.342 1.00 0.00 C ATOM 1015 OD1 ASP A 60 -7.231 16.356 -19.691 1.00 0.00 O ATOM 1016 OD2 ASP A 60 -5.980 16.741 -21.456 1.00 0.00 O ATOM 0 H ASP A 60 -4.059 13.485 -18.031 1.00 0.00 H new ATOM 0 HA ASP A 60 -6.654 13.929 -19.392 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.695 15.818 -18.849 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.250 15.286 -20.458 1.00 0.00 H new ATOM 1021 N GLU A 61 -5.276 13.350 -21.757 1.00 0.00 N ATOM 1022 CA GLU A 61 -4.879 12.507 -22.879 1.00 0.00 C ATOM 1023 C GLU A 61 -3.361 12.375 -22.950 1.00 0.00 C ATOM 1024 O GLU A 61 -2.837 11.371 -23.434 1.00 0.00 O ATOM 1025 CB GLU A 61 -5.414 13.084 -24.192 1.00 0.00 C ATOM 1026 CG GLU A 61 -4.884 14.473 -24.507 1.00 0.00 C ATOM 1027 CD GLU A 61 -5.653 15.152 -25.624 1.00 0.00 C ATOM 1028 OE1 GLU A 61 -6.318 14.440 -26.405 1.00 0.00 O ATOM 1029 OE2 GLU A 61 -5.591 16.396 -25.715 1.00 0.00 O ATOM 0 H GLU A 61 -5.688 14.244 -22.025 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.305 11.516 -22.725 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.152 12.411 -25.008 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.502 13.121 -24.146 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.935 15.089 -23.609 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.833 14.402 -24.786 1.00 0.00 H new ATOM 1036 N ARG A 62 -2.660 13.395 -22.465 1.00 0.00 N ATOM 1037 CA ARG A 62 -1.202 13.393 -22.475 1.00 0.00 C ATOM 1038 C ARG A 62 -0.653 12.388 -21.467 1.00 0.00 C ATOM 1039 O ARG A 62 0.376 11.755 -21.705 1.00 0.00 O ATOM 1040 CB ARG A 62 -0.668 14.792 -22.159 1.00 0.00 C ATOM 1041 CG ARG A 62 -1.325 15.436 -20.950 1.00 0.00 C ATOM 1042 CD ARG A 62 -2.090 16.693 -21.336 1.00 0.00 C ATOM 1043 NE ARG A 62 -1.276 17.896 -21.191 1.00 0.00 N ATOM 1044 CZ ARG A 62 -0.644 18.482 -22.203 1.00 0.00 C ATOM 1045 NH1 ARG A 62 -0.734 17.978 -23.426 1.00 0.00 N ATOM 1046 NH2 ARG A 62 0.078 19.575 -21.992 1.00 0.00 N ATOM 0 H ARG A 62 -3.078 14.233 -22.060 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.870 13.100 -23.471 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.407 14.731 -21.988 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -0.817 15.433 -23.028 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.005 14.724 -20.482 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.564 15.684 -20.210 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -2.430 16.608 -22.368 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.980 16.781 -20.713 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.187 18.309 -20.263 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.289 17.139 -23.592 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.248 18.430 -24.201 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.148 19.966 -21.053 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.563 20.024 -22.769 1.00 0.00 H new ATOM 1060 N SER A 63 -1.345 12.247 -20.341 1.00 0.00 N ATOM 1061 CA SER A 63 -0.925 11.322 -19.296 1.00 0.00 C ATOM 1062 C SER A 63 -0.896 9.889 -19.818 1.00 0.00 C ATOM 1063 O SER A 63 -1.838 9.431 -20.465 1.00 0.00 O ATOM 1064 CB SER A 63 -1.863 11.419 -18.091 1.00 0.00 C ATOM 1065 OG SER A 63 -2.963 10.536 -18.229 1.00 0.00 O ATOM 0 H SER A 63 -2.200 12.762 -20.129 1.00 0.00 H new ATOM 0 HA SER A 63 0.083 11.598 -18.986 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.315 11.182 -17.179 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.224 12.442 -17.989 1.00 0.00 H new ATOM 0 HG SER A 63 -3.725 10.880 -17.717 1.00 0.00 H new ATOM 1071 N THR A 64 0.194 9.183 -19.531 1.00 0.00 N ATOM 1072 CA THR A 64 0.348 7.802 -19.972 1.00 0.00 C ATOM 1073 C THR A 64 1.621 7.184 -19.405 1.00 0.00 C ATOM 1074 O THR A 64 2.487 7.887 -18.886 1.00 0.00 O ATOM 1075 CB THR A 64 0.383 7.703 -21.508 1.00 0.00 C ATOM 1076 OG1 THR A 64 0.515 6.335 -21.908 1.00 0.00 O ATOM 1077 CG2 THR A 64 1.536 8.517 -22.077 1.00 0.00 C ATOM 0 H THR A 64 0.983 9.545 -18.995 1.00 0.00 H new ATOM 0 HA THR A 64 -0.517 7.253 -19.600 1.00 0.00 H new ATOM 0 HB THR A 64 -0.552 8.106 -21.897 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.535 6.281 -22.886 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.540 8.432 -23.164 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.416 9.563 -21.796 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.478 8.140 -21.680 1.00 0.00 H new ATOM 1085 N ALA A 65 1.729 5.863 -19.509 1.00 0.00 N ATOM 1086 CA ALA A 65 2.898 5.150 -19.010 1.00 0.00 C ATOM 1087 C ALA A 65 3.496 4.253 -20.088 1.00 0.00 C ATOM 1088 O ALA A 65 2.771 3.658 -20.885 1.00 0.00 O ATOM 1089 CB ALA A 65 2.531 4.330 -17.782 1.00 0.00 C ATOM 0 H ALA A 65 1.021 5.265 -19.935 1.00 0.00 H new ATOM 0 HA ALA A 65 3.650 5.887 -18.730 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.413 3.803 -17.420 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.158 4.992 -17.001 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.759 3.607 -18.045 1.00 0.00 H new ATOM 1095 N GLN A 66 4.822 4.161 -20.106 1.00 0.00 N ATOM 1096 CA GLN A 66 5.516 3.337 -21.088 1.00 0.00 C ATOM 1097 C GLN A 66 6.381 2.285 -20.402 1.00 0.00 C ATOM 1098 O GLN A 66 7.116 2.588 -19.461 1.00 0.00 O ATOM 1099 CB GLN A 66 6.381 4.210 -21.998 1.00 0.00 C ATOM 1100 CG GLN A 66 5.663 5.446 -22.516 1.00 0.00 C ATOM 1101 CD GLN A 66 6.026 5.773 -23.951 1.00 0.00 C ATOM 1102 OE1 GLN A 66 7.189 5.682 -24.346 1.00 0.00 O ATOM 1103 NE2 GLN A 66 5.030 6.157 -24.741 1.00 0.00 N ATOM 0 H GLN A 66 5.436 4.646 -19.452 1.00 0.00 H new ATOM 0 HA GLN A 66 4.765 2.827 -21.692 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.272 4.520 -21.451 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.719 3.614 -22.846 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.586 5.293 -22.443 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.908 6.297 -21.880 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.081 6.219 -24.372 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.214 6.390 -25.717 1.00 0.00 H new ATOM 1112 N TYR A 67 6.289 1.048 -20.877 1.00 0.00 N ATOM 1113 CA TYR A 67 7.061 -0.050 -20.308 1.00 0.00 C ATOM 1114 C TYR A 67 8.439 -0.141 -20.956 1.00 0.00 C ATOM 1115 O TYR A 67 8.558 -0.199 -22.180 1.00 0.00 O ATOM 1116 CB TYR A 67 6.313 -1.373 -20.484 1.00 0.00 C ATOM 1117 CG TYR A 67 7.159 -2.590 -20.189 1.00 0.00 C ATOM 1118 CD1 TYR A 67 8.047 -2.602 -19.120 1.00 0.00 C ATOM 1119 CD2 TYR A 67 7.070 -3.730 -20.978 1.00 0.00 C ATOM 1120 CE1 TYR A 67 8.822 -3.712 -18.847 1.00 0.00 C ATOM 1121 CE2 TYR A 67 7.840 -4.846 -20.712 1.00 0.00 C ATOM 1122 CZ TYR A 67 8.715 -4.831 -19.646 1.00 0.00 C ATOM 1123 OH TYR A 67 9.485 -5.940 -19.376 1.00 0.00 O ATOM 0 H TYR A 67 5.687 0.780 -21.656 1.00 0.00 H new ATOM 0 HA TYR A 67 7.193 0.146 -19.244 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.442 -1.378 -19.828 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.942 -1.438 -21.507 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.133 -1.728 -18.492 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.387 -3.744 -21.814 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.508 -3.704 -18.013 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.757 -5.724 -21.335 1.00 0.00 H new ATOM 0 HH TYR A 67 9.289 -6.642 -20.031 1.00 0.00 H new ATOM 1133 N ASP A 68 9.476 -0.153 -20.127 1.00 0.00 N ATOM 1134 CA ASP A 68 10.847 -0.239 -20.617 1.00 0.00 C ATOM 1135 C ASP A 68 11.452 -1.603 -20.302 1.00 0.00 C ATOM 1136 O ASP A 68 11.540 -2.001 -19.140 1.00 0.00 O ATOM 1137 CB ASP A 68 11.703 0.868 -19.999 1.00 0.00 C ATOM 1138 CG ASP A 68 11.657 2.152 -20.804 1.00 0.00 C ATOM 1139 OD1 ASP A 68 11.315 2.089 -22.003 1.00 0.00 O ATOM 1140 OD2 ASP A 68 11.962 3.220 -20.233 1.00 0.00 O ATOM 0 H ASP A 68 9.394 -0.104 -19.111 1.00 0.00 H new ATOM 0 HA ASP A 68 10.828 -0.111 -21.699 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.358 1.066 -18.984 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.735 0.526 -19.924 1.00 0.00 H new ATOM 1145 N SER A 69 11.868 -2.316 -21.344 1.00 0.00 N ATOM 1146 CA SER A 69 12.461 -3.638 -21.179 1.00 0.00 C ATOM 1147 C SER A 69 13.969 -3.534 -20.970 1.00 0.00 C ATOM 1148 O SER A 69 14.568 -4.351 -20.271 1.00 0.00 O ATOM 1149 CB SER A 69 12.162 -4.510 -22.400 1.00 0.00 C ATOM 1150 OG SER A 69 12.719 -3.950 -23.576 1.00 0.00 O ATOM 0 H SER A 69 11.805 -2.000 -22.312 1.00 0.00 H new ATOM 0 HA SER A 69 12.020 -4.100 -20.295 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.565 -5.510 -22.244 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.084 -4.616 -22.520 1.00 0.00 H new ATOM 0 HG SER A 69 12.515 -4.527 -24.341 1.00 0.00 H new ATOM 1156 N LYS A 70 14.577 -2.524 -21.583 1.00 0.00 N ATOM 1157 CA LYS A 70 16.014 -2.310 -21.465 1.00 0.00 C ATOM 1158 C LYS A 70 16.438 -2.255 -20.001 1.00 0.00 C ATOM 1159 O LYS A 70 17.574 -2.587 -19.661 1.00 0.00 O ATOM 1160 CB LYS A 70 16.418 -1.015 -22.173 1.00 0.00 C ATOM 1161 CG LYS A 70 15.649 0.204 -21.696 1.00 0.00 C ATOM 1162 CD LYS A 70 16.398 0.941 -20.598 1.00 0.00 C ATOM 1163 CE LYS A 70 15.463 1.816 -19.776 1.00 0.00 C ATOM 1164 NZ LYS A 70 16.211 2.695 -18.835 1.00 0.00 N ATOM 0 H LYS A 70 14.096 -1.840 -22.167 1.00 0.00 H new ATOM 0 HA LYS A 70 16.521 -3.150 -21.940 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.484 -0.845 -22.020 1.00 0.00 H new ATOM 0 HB3 LYS A 70 16.265 -1.134 -23.246 1.00 0.00 H new ATOM 0 HG2 LYS A 70 15.476 0.878 -22.535 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.670 -0.103 -21.327 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.891 0.220 -19.946 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.180 1.558 -21.040 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.859 2.430 -20.444 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.775 1.185 -19.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.657 2.821 -17.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.126 2.257 -18.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.373 3.621 -19.280 1.00 0.00 H new ATOM 1178 N ASP A 71 15.518 -1.835 -19.139 1.00 0.00 N ATOM 1179 CA ASP A 71 15.796 -1.739 -17.711 1.00 0.00 C ATOM 1180 C ASP A 71 14.728 -2.465 -16.899 1.00 0.00 C ATOM 1181 O ASP A 71 14.765 -2.468 -15.669 1.00 0.00 O ATOM 1182 CB ASP A 71 15.872 -0.273 -17.282 1.00 0.00 C ATOM 1183 CG ASP A 71 16.447 -0.106 -15.889 1.00 0.00 C ATOM 1184 OD1 ASP A 71 16.982 -1.095 -15.345 1.00 0.00 O ATOM 1185 OD2 ASP A 71 16.364 1.013 -15.343 1.00 0.00 O ATOM 0 H ASP A 71 14.574 -1.556 -19.405 1.00 0.00 H new ATOM 0 HA ASP A 71 16.758 -2.216 -17.520 1.00 0.00 H new ATOM 0 HB2 ASP A 71 16.486 0.279 -17.994 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.874 0.164 -17.315 1.00 0.00 H new ATOM 1190 N GLU A 72 13.776 -3.077 -17.597 1.00 0.00 N ATOM 1191 CA GLU A 72 12.696 -3.804 -16.940 1.00 0.00 C ATOM 1192 C GLU A 72 11.966 -2.909 -15.942 1.00 0.00 C ATOM 1193 O GLU A 72 11.443 -3.385 -14.933 1.00 0.00 O ATOM 1194 CB GLU A 72 13.244 -5.041 -16.226 1.00 0.00 C ATOM 1195 CG GLU A 72 13.986 -5.996 -17.146 1.00 0.00 C ATOM 1196 CD GLU A 72 14.972 -6.875 -16.403 1.00 0.00 C ATOM 1197 OE1 GLU A 72 15.497 -6.428 -15.361 1.00 0.00 O ATOM 1198 OE2 GLU A 72 15.220 -8.010 -16.862 1.00 0.00 O ATOM 0 H GLU A 72 13.731 -3.084 -18.616 1.00 0.00 H new ATOM 0 HA GLU A 72 11.987 -4.120 -17.705 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.916 -4.722 -15.429 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.418 -5.573 -15.753 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.265 -6.626 -17.667 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.517 -5.423 -17.906 1.00 0.00 H new ATOM 1205 N CYS A 73 11.936 -1.613 -16.230 1.00 0.00 N ATOM 1206 CA CYS A 73 11.272 -0.651 -15.358 1.00 0.00 C ATOM 1207 C CYS A 73 10.024 -0.083 -16.026 1.00 0.00 C ATOM 1208 O CYS A 73 9.785 -0.309 -17.212 1.00 0.00 O ATOM 1209 CB CYS A 73 12.230 0.483 -14.992 1.00 0.00 C ATOM 1210 SG CYS A 73 13.681 -0.050 -14.053 1.00 0.00 S ATOM 0 H CYS A 73 12.364 -1.204 -17.061 1.00 0.00 H new ATOM 0 HA CYS A 73 10.971 -1.170 -14.448 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.563 0.973 -15.907 1.00 0.00 H new ATOM 0 HB3 CYS A 73 11.688 1.229 -14.410 1.00 0.00 H new ATOM 0 HG CYS A 73 14.239 -1.060 -14.652 1.00 0.00 H new ATOM 1216 N ILE A 74 9.230 0.654 -15.256 1.00 0.00 N ATOM 1217 CA ILE A 74 8.006 1.253 -15.773 1.00 0.00 C ATOM 1218 C ILE A 74 8.027 2.770 -15.614 1.00 0.00 C ATOM 1219 O ILE A 74 8.366 3.288 -14.551 1.00 0.00 O ATOM 1220 CB ILE A 74 6.761 0.691 -15.063 1.00 0.00 C ATOM 1221 CG1 ILE A 74 6.716 -0.833 -15.194 1.00 0.00 C ATOM 1222 CG2 ILE A 74 5.497 1.315 -15.637 1.00 0.00 C ATOM 1223 CD1 ILE A 74 6.431 -1.310 -16.601 1.00 0.00 C ATOM 0 H ILE A 74 9.413 0.850 -14.272 1.00 0.00 H new ATOM 0 HA ILE A 74 7.954 1.002 -16.832 1.00 0.00 H new ATOM 0 HB ILE A 74 6.820 0.944 -14.004 1.00 0.00 H new ATOM 0 HG12 ILE A 74 7.669 -1.246 -14.865 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.951 -1.225 -14.524 1.00 0.00 H new ATOM 0 HG21 ILE A 74 4.625 0.908 -15.125 1.00 0.00 H new ATOM 0 HG22 ILE A 74 5.528 2.395 -15.496 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.431 1.089 -16.701 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.414 -2.400 -16.619 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.464 -0.926 -16.926 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.210 -0.948 -17.273 1.00 0.00 H new ATOM 1235 N ASN A 75 7.661 3.476 -16.678 1.00 0.00 N ATOM 1236 CA ASN A 75 7.636 4.934 -16.657 1.00 0.00 C ATOM 1237 C ASN A 75 6.202 5.454 -16.668 1.00 0.00 C ATOM 1238 O ASN A 75 5.419 5.129 -17.560 1.00 0.00 O ATOM 1239 CB ASN A 75 8.403 5.496 -17.856 1.00 0.00 C ATOM 1240 CG ASN A 75 9.753 4.830 -18.041 1.00 0.00 C ATOM 1241 OD1 ASN A 75 10.782 5.362 -17.624 1.00 0.00 O ATOM 1242 ND2 ASN A 75 9.755 3.661 -18.670 1.00 0.00 N ATOM 0 H ASN A 75 7.377 3.062 -17.566 1.00 0.00 H new ATOM 0 HA ASN A 75 8.118 5.267 -15.738 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.808 5.363 -18.760 1.00 0.00 H new ATOM 0 HB3 ASN A 75 8.545 6.569 -17.723 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.634 3.167 -18.825 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.878 3.257 -18.999 1.00 0.00 H new ATOM 1249 N VAL A 76 5.864 6.264 -15.669 1.00 0.00 N ATOM 1250 CA VAL A 76 4.525 6.831 -15.564 1.00 0.00 C ATOM 1251 C VAL A 76 4.560 8.350 -15.688 1.00 0.00 C ATOM 1252 O VAL A 76 5.307 9.025 -14.979 1.00 0.00 O ATOM 1253 CB VAL A 76 3.858 6.451 -14.229 1.00 0.00 C ATOM 1254 CG1 VAL A 76 2.421 6.948 -14.189 1.00 0.00 C ATOM 1255 CG2 VAL A 76 3.915 4.946 -14.015 1.00 0.00 C ATOM 0 H VAL A 76 6.499 6.542 -14.921 1.00 0.00 H new ATOM 0 HA VAL A 76 3.940 6.416 -16.385 1.00 0.00 H new ATOM 0 HB VAL A 76 4.407 6.932 -13.419 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.966 6.670 -13.238 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.408 8.033 -14.294 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.857 6.498 -15.006 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.439 4.695 -13.067 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.392 4.443 -14.828 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.955 4.620 -13.996 1.00 0.00 H new ATOM 1265 N LYS A 77 3.747 8.883 -16.593 1.00 0.00 N ATOM 1266 CA LYS A 77 3.682 10.324 -16.810 1.00 0.00 C ATOM 1267 C LYS A 77 2.348 10.887 -16.328 1.00 0.00 C ATOM 1268 O LYS A 77 1.297 10.278 -16.527 1.00 0.00 O ATOM 1269 CB LYS A 77 3.877 10.646 -18.293 1.00 0.00 C ATOM 1270 CG LYS A 77 3.894 12.135 -18.595 1.00 0.00 C ATOM 1271 CD LYS A 77 2.516 12.638 -18.994 1.00 0.00 C ATOM 1272 CE LYS A 77 2.602 13.955 -19.750 1.00 0.00 C ATOM 1273 NZ LYS A 77 1.619 14.951 -19.241 1.00 0.00 N ATOM 0 H LYS A 77 3.123 8.339 -17.189 1.00 0.00 H new ATOM 0 HA LYS A 77 4.482 10.790 -16.235 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.814 10.204 -18.632 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.078 10.177 -18.866 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.242 12.681 -17.718 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.603 12.336 -19.398 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.021 11.892 -19.616 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.903 12.768 -18.102 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.610 14.360 -19.660 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.423 13.777 -20.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.475 15.693 -19.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.714 14.477 -19.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.981 15.379 -18.365 1.00 0.00 H new ATOM 1287 N VAL A 78 2.399 12.054 -15.694 1.00 0.00 N ATOM 1288 CA VAL A 78 1.195 12.701 -15.186 1.00 0.00 C ATOM 1289 C VAL A 78 1.235 14.205 -15.429 1.00 0.00 C ATOM 1290 O VAL A 78 2.230 14.866 -15.133 1.00 0.00 O ATOM 1291 CB VAL A 78 1.011 12.440 -13.679 1.00 0.00 C ATOM 1292 CG1 VAL A 78 -0.361 12.909 -13.220 1.00 0.00 C ATOM 1293 CG2 VAL A 78 1.211 10.965 -13.366 1.00 0.00 C ATOM 0 H VAL A 78 3.261 12.571 -15.520 1.00 0.00 H new ATOM 0 HA VAL A 78 0.352 12.271 -15.727 1.00 0.00 H new ATOM 0 HB VAL A 78 1.764 13.009 -13.134 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.473 12.717 -12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.462 13.978 -13.409 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.133 12.369 -13.769 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.077 10.799 -12.297 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.482 10.373 -13.919 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.218 10.665 -13.657 1.00 0.00 H new ATOM 1303 N ALA A 79 0.145 14.741 -15.970 1.00 0.00 N ATOM 1304 CA ALA A 79 0.054 16.168 -16.251 1.00 0.00 C ATOM 1305 C ALA A 79 -0.243 16.960 -14.982 1.00 0.00 C ATOM 1306 O ALA A 79 -1.117 16.590 -14.197 1.00 0.00 O ATOM 1307 CB ALA A 79 -1.013 16.433 -17.302 1.00 0.00 C ATOM 0 H ALA A 79 -0.687 14.208 -16.222 1.00 0.00 H new ATOM 0 HA ALA A 79 1.018 16.498 -16.637 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.069 17.503 -17.501 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.757 15.906 -18.221 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.978 16.080 -16.938 1.00 0.00 H new ATOM 1313 N LYS A 80 0.490 18.050 -14.785 1.00 0.00 N ATOM 1314 CA LYS A 80 0.306 18.895 -13.611 1.00 0.00 C ATOM 1315 C LYS A 80 -0.674 20.027 -13.904 1.00 0.00 C ATOM 1316 O LYS A 80 -0.788 20.484 -15.042 1.00 0.00 O ATOM 1317 CB LYS A 80 1.648 19.473 -13.156 1.00 0.00 C ATOM 1318 CG LYS A 80 2.209 18.803 -11.914 1.00 0.00 C ATOM 1319 CD LYS A 80 2.153 19.727 -10.709 1.00 0.00 C ATOM 1320 CE LYS A 80 0.722 20.121 -10.375 1.00 0.00 C ATOM 1321 NZ LYS A 80 0.627 20.790 -9.048 1.00 0.00 N ATOM 0 H LYS A 80 1.218 18.370 -15.424 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.106 18.278 -12.812 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.369 19.377 -13.968 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.528 20.539 -12.961 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.645 17.894 -11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.241 18.503 -12.096 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.606 19.233 -9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.741 20.623 -10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.340 20.789 -11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.090 19.233 -10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.304 20.595 -8.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.374 20.427 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.744 21.816 -9.168 1.00 0.00 H new ATOM 1335 N LEU A 81 -1.377 20.477 -12.871 1.00 0.00 N ATOM 1336 CA LEU A 81 -2.347 21.557 -13.018 1.00 0.00 C ATOM 1337 C LEU A 81 -1.646 22.882 -13.302 1.00 0.00 C ATOM 1338 O LEU A 81 -2.244 23.806 -13.853 1.00 0.00 O ATOM 1339 CB LEU A 81 -3.199 21.679 -11.753 1.00 0.00 C ATOM 1340 CG LEU A 81 -4.127 20.502 -11.453 1.00 0.00 C ATOM 1341 CD1 LEU A 81 -4.984 20.795 -10.231 1.00 0.00 C ATOM 1342 CD2 LEU A 81 -5.003 20.192 -12.659 1.00 0.00 C ATOM 0 H LEU A 81 -1.294 20.111 -11.923 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.994 21.320 -13.863 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.532 21.816 -10.902 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.804 22.582 -11.832 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.514 19.627 -11.240 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.638 19.946 -10.033 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.341 20.966 -9.368 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.588 21.683 -10.415 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.657 19.351 -12.427 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.607 21.065 -12.904 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.372 19.937 -13.511 1.00 0.00 H new ATOM 1354 N ASN A 82 -0.375 22.966 -12.925 1.00 0.00 N ATOM 1355 CA ASN A 82 0.408 24.178 -13.141 1.00 0.00 C ATOM 1356 C ASN A 82 1.790 23.841 -13.694 1.00 0.00 C ATOM 1357 O ASN A 82 2.423 22.875 -13.268 1.00 0.00 O ATOM 1358 CB ASN A 82 0.547 24.961 -11.834 1.00 0.00 C ATOM 1359 CG ASN A 82 0.412 24.073 -10.611 1.00 0.00 C ATOM 1360 OD1 ASN A 82 1.407 23.622 -10.045 1.00 0.00 O ATOM 1361 ND2 ASN A 82 -0.825 23.819 -10.199 1.00 0.00 N ATOM 0 H ASN A 82 0.135 22.210 -12.469 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.117 24.794 -13.871 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.516 25.459 -11.813 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -0.213 25.742 -11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.979 23.228 -9.382 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.621 24.215 -10.700 1.00 0.00 H new ATOM 1368 N LYS A 83 2.253 24.646 -14.645 1.00 0.00 N ATOM 1369 CA LYS A 83 3.560 24.436 -15.256 1.00 0.00 C ATOM 1370 C LYS A 83 4.671 24.978 -14.363 1.00 0.00 C ATOM 1371 O LYS A 83 4.426 25.803 -13.483 1.00 0.00 O ATOM 1372 CB LYS A 83 3.618 25.111 -16.628 1.00 0.00 C ATOM 1373 CG LYS A 83 4.743 24.598 -17.511 1.00 0.00 C ATOM 1374 CD LYS A 83 4.421 24.779 -18.985 1.00 0.00 C ATOM 1375 CE LYS A 83 5.305 23.903 -19.860 1.00 0.00 C ATOM 1376 NZ LYS A 83 6.521 24.627 -20.321 1.00 0.00 N ATOM 0 H LYS A 83 1.742 25.450 -15.009 1.00 0.00 H new ATOM 0 HA LYS A 83 3.708 23.363 -15.379 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.668 24.958 -17.139 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.737 26.186 -16.490 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.665 25.127 -17.271 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.918 23.542 -17.303 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.374 24.534 -19.163 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.555 25.825 -19.262 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.601 23.014 -19.303 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.736 23.562 -20.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.097 23.996 -20.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.239 25.461 -20.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.078 24.931 -19.497 1.00 0.00 H new ATOM 1390 N ASN A 84 5.893 24.511 -14.597 1.00 0.00 N ATOM 1391 CA ASN A 84 7.042 24.950 -13.814 1.00 0.00 C ATOM 1392 C ASN A 84 6.855 24.615 -12.338 1.00 0.00 C ATOM 1393 O ASN A 84 7.513 25.191 -11.472 1.00 0.00 O ATOM 1394 CB ASN A 84 7.256 26.456 -13.984 1.00 0.00 C ATOM 1395 CG ASN A 84 8.216 26.780 -15.112 1.00 0.00 C ATOM 1396 OD1 ASN A 84 9.110 27.613 -14.961 1.00 0.00 O ATOM 1397 ND2 ASN A 84 8.034 26.122 -16.251 1.00 0.00 N ATOM 0 H ASN A 84 6.113 23.829 -15.323 1.00 0.00 H new ATOM 0 HA ASN A 84 7.922 24.421 -14.179 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.297 26.937 -14.177 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.640 26.873 -13.053 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.648 26.299 -17.046 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.280 25.440 -16.331 1.00 0.00 H new ATOM 1404 N GLU A 85 5.953 23.679 -12.059 1.00 0.00 N ATOM 1405 CA GLU A 85 5.679 23.268 -10.687 1.00 0.00 C ATOM 1406 C GLU A 85 6.563 22.090 -10.285 1.00 0.00 C ATOM 1407 O GLU A 85 6.878 21.228 -11.106 1.00 0.00 O ATOM 1408 CB GLU A 85 4.205 22.890 -10.528 1.00 0.00 C ATOM 1409 CG GLU A 85 3.858 22.355 -9.149 1.00 0.00 C ATOM 1410 CD GLU A 85 3.903 23.428 -8.079 1.00 0.00 C ATOM 1411 OE1 GLU A 85 4.968 24.059 -7.916 1.00 0.00 O ATOM 1412 OE2 GLU A 85 2.873 23.637 -7.404 1.00 0.00 O ATOM 0 H GLU A 85 5.400 23.192 -12.764 1.00 0.00 H new ATOM 0 HA GLU A 85 5.903 24.110 -10.032 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.590 23.766 -10.734 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.949 22.138 -11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.861 21.914 -9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.553 21.557 -8.888 1.00 0.00 H new ATOM 1419 N TYR A 86 6.960 22.062 -9.018 1.00 0.00 N ATOM 1420 CA TYR A 86 7.810 20.993 -8.507 1.00 0.00 C ATOM 1421 C TYR A 86 7.225 20.394 -7.232 1.00 0.00 C ATOM 1422 O TYR A 86 6.183 20.835 -6.746 1.00 0.00 O ATOM 1423 CB TYR A 86 9.220 21.519 -8.236 1.00 0.00 C ATOM 1424 CG TYR A 86 9.328 22.338 -6.970 1.00 0.00 C ATOM 1425 CD1 TYR A 86 9.077 23.705 -6.980 1.00 0.00 C ATOM 1426 CD2 TYR A 86 9.681 21.747 -5.764 1.00 0.00 C ATOM 1427 CE1 TYR A 86 9.174 24.458 -5.826 1.00 0.00 C ATOM 1428 CE2 TYR A 86 9.780 22.491 -4.605 1.00 0.00 C ATOM 1429 CZ TYR A 86 9.526 23.847 -4.641 1.00 0.00 C ATOM 1430 OH TYR A 86 9.625 24.592 -3.489 1.00 0.00 O ATOM 0 H TYR A 86 6.707 22.767 -8.326 1.00 0.00 H new ATOM 0 HA TYR A 86 7.861 20.211 -9.264 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.907 20.675 -8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.540 22.128 -9.081 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.801 24.187 -7.906 1.00 0.00 H new ATOM 0 HD2 TYR A 86 9.882 20.686 -5.732 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.975 25.519 -5.852 1.00 0.00 H new ATOM 0 HE2 TYR A 86 10.055 22.014 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 86 9.881 24.009 -2.744 1.00 0.00 H new ATOM 1440 N PHE A 87 7.903 19.386 -6.694 1.00 0.00 N ATOM 1441 CA PHE A 87 7.452 18.725 -5.475 1.00 0.00 C ATOM 1442 C PHE A 87 8.588 18.619 -4.461 1.00 0.00 C ATOM 1443 O PHE A 87 9.761 18.580 -4.831 1.00 0.00 O ATOM 1444 CB PHE A 87 6.909 17.331 -5.796 1.00 0.00 C ATOM 1445 CG PHE A 87 5.674 17.351 -6.651 1.00 0.00 C ATOM 1446 CD1 PHE A 87 5.753 17.664 -7.998 1.00 0.00 C ATOM 1447 CD2 PHE A 87 4.434 17.057 -6.107 1.00 0.00 C ATOM 1448 CE1 PHE A 87 4.618 17.685 -8.786 1.00 0.00 C ATOM 1449 CE2 PHE A 87 3.295 17.075 -6.890 1.00 0.00 C ATOM 1450 CZ PHE A 87 3.388 17.388 -8.232 1.00 0.00 C ATOM 0 H PHE A 87 8.767 19.009 -7.083 1.00 0.00 H new ATOM 0 HA PHE A 87 6.654 19.327 -5.039 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.683 16.756 -6.304 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.687 16.813 -4.863 1.00 0.00 H new ATOM 0 HD1 PHE A 87 6.712 17.894 -8.437 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.356 16.811 -5.058 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.693 17.933 -9.834 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.334 16.845 -6.453 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.500 17.401 -8.847 1.00 0.00 H new ATOM 1460 N GLU A 88 8.229 18.574 -3.182 1.00 0.00 N ATOM 1461 CA GLU A 88 9.218 18.474 -2.115 1.00 0.00 C ATOM 1462 C GLU A 88 9.024 17.192 -1.311 1.00 0.00 C ATOM 1463 O GLU A 88 9.895 16.793 -0.538 1.00 0.00 O ATOM 1464 CB GLU A 88 9.127 19.689 -1.189 1.00 0.00 C ATOM 1465 CG GLU A 88 7.704 20.051 -0.799 1.00 0.00 C ATOM 1466 CD GLU A 88 7.643 20.936 0.431 1.00 0.00 C ATOM 1467 OE1 GLU A 88 8.163 22.069 0.373 1.00 0.00 O ATOM 1468 OE2 GLU A 88 7.074 20.494 1.451 1.00 0.00 O ATOM 0 H GLU A 88 7.262 18.605 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 88 10.207 18.449 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.703 19.491 -0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.589 20.545 -1.680 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.221 20.561 -1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.139 19.138 -0.613 1.00 0.00 H new ATOM 1475 N ASP A 89 7.875 16.552 -1.498 1.00 0.00 N ATOM 1476 CA ASP A 89 7.564 15.315 -0.791 1.00 0.00 C ATOM 1477 C ASP A 89 8.034 14.101 -1.588 1.00 0.00 C ATOM 1478 O ASP A 89 8.311 13.043 -1.022 1.00 0.00 O ATOM 1479 CB ASP A 89 6.061 15.216 -0.528 1.00 0.00 C ATOM 1480 CG ASP A 89 5.540 16.380 0.292 1.00 0.00 C ATOM 1481 OD1 ASP A 89 6.353 17.245 0.679 1.00 0.00 O ATOM 1482 OD2 ASP A 89 4.318 16.426 0.546 1.00 0.00 O ATOM 0 H ASP A 89 7.143 16.870 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 89 8.092 15.329 0.163 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.530 15.179 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.847 14.283 -0.007 1.00 0.00 H new ATOM 1487 N LEU A 90 8.121 14.261 -2.904 1.00 0.00 N ATOM 1488 CA LEU A 90 8.557 13.178 -3.779 1.00 0.00 C ATOM 1489 C LEU A 90 9.947 12.688 -3.388 1.00 0.00 C ATOM 1490 O LEU A 90 10.331 11.562 -3.706 1.00 0.00 O ATOM 1491 CB LEU A 90 8.558 13.643 -5.236 1.00 0.00 C ATOM 1492 CG LEU A 90 7.254 13.437 -6.008 1.00 0.00 C ATOM 1493 CD1 LEU A 90 6.075 13.986 -5.220 1.00 0.00 C ATOM 1494 CD2 LEU A 90 7.335 14.094 -7.378 1.00 0.00 C ATOM 0 H LEU A 90 7.896 15.130 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 90 7.857 12.350 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.806 14.704 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.355 13.119 -5.763 1.00 0.00 H new ATOM 0 HG LEU A 90 7.103 12.367 -6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.156 13.831 -5.785 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.005 13.469 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.218 15.053 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.398 13.937 -7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.510 15.163 -7.259 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.155 13.653 -7.945 1.00 0.00 H new ATOM 1506 N ASP A 91 10.696 13.540 -2.697 1.00 0.00 N ATOM 1507 CA ASP A 91 12.044 13.193 -2.260 1.00 0.00 C ATOM 1508 C ASP A 91 12.007 12.078 -1.219 1.00 0.00 C ATOM 1509 O ASP A 91 12.980 11.344 -1.046 1.00 0.00 O ATOM 1510 CB ASP A 91 12.749 14.422 -1.684 1.00 0.00 C ATOM 1511 CG ASP A 91 14.256 14.265 -1.657 1.00 0.00 C ATOM 1512 OD1 ASP A 91 14.762 13.559 -0.760 1.00 0.00 O ATOM 1513 OD2 ASP A 91 14.930 14.849 -2.531 1.00 0.00 O ATOM 0 H ASP A 91 10.393 14.476 -2.427 1.00 0.00 H new ATOM 0 HA ASP A 91 12.601 12.838 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.488 15.298 -2.278 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.387 14.604 -0.672 1.00 0.00 H new ATOM 1518 N LEU A 92 10.879 11.958 -0.528 1.00 0.00 N ATOM 1519 CA LEU A 92 10.715 10.933 0.497 1.00 0.00 C ATOM 1520 C LEU A 92 9.757 9.843 0.029 1.00 0.00 C ATOM 1521 O LEU A 92 8.573 10.083 -0.212 1.00 0.00 O ATOM 1522 CB LEU A 92 10.198 11.559 1.794 1.00 0.00 C ATOM 1523 CG LEU A 92 10.960 12.786 2.297 1.00 0.00 C ATOM 1524 CD1 LEU A 92 12.455 12.613 2.076 1.00 0.00 C ATOM 1525 CD2 LEU A 92 10.459 14.046 1.606 1.00 0.00 C ATOM 0 H LEU A 92 10.064 12.558 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 92 11.689 10.480 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.155 11.839 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.218 10.798 2.574 1.00 0.00 H new ATOM 0 HG LEU A 92 10.781 12.888 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.981 13.496 2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.804 11.734 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.653 12.486 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.013 14.909 1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.607 13.954 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.398 14.179 1.816 1.00 0.00 H new ATOM 1537 N PRO A 93 10.277 8.614 -0.102 1.00 0.00 N ATOM 1538 CA PRO A 93 9.485 7.461 -0.540 1.00 0.00 C ATOM 1539 C PRO A 93 8.468 7.025 0.509 1.00 0.00 C ATOM 1540 O PRO A 93 7.603 6.189 0.242 1.00 0.00 O ATOM 1541 CB PRO A 93 10.535 6.368 -0.753 1.00 0.00 C ATOM 1542 CG PRO A 93 11.666 6.751 0.139 1.00 0.00 C ATOM 1543 CD PRO A 93 11.680 8.255 0.167 1.00 0.00 C ATOM 0 HA PRO A 93 8.897 7.685 -1.430 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.142 5.385 -0.494 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.851 6.320 -1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 93 11.529 6.343 1.140 1.00 0.00 H new ATOM 0 HG3 PRO A 93 12.611 6.359 -0.238 1.00 0.00 H new ATOM 0 HD2 PRO A 93 12.014 8.636 1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 93 12.351 8.665 -0.587 1.00 0.00 H new ATOM 1551 N THR A 94 8.575 7.596 1.705 1.00 0.00 N ATOM 1552 CA THR A 94 7.665 7.266 2.794 1.00 0.00 C ATOM 1553 C THR A 94 6.545 8.294 2.906 1.00 0.00 C ATOM 1554 O THR A 94 5.417 7.962 3.272 1.00 0.00 O ATOM 1555 CB THR A 94 8.408 7.185 4.141 1.00 0.00 C ATOM 1556 OG1 THR A 94 9.268 8.320 4.296 1.00 0.00 O ATOM 1557 CG2 THR A 94 9.227 5.906 4.232 1.00 0.00 C ATOM 0 H THR A 94 9.284 8.290 1.944 1.00 0.00 H new ATOM 0 HA THR A 94 7.237 6.290 2.563 1.00 0.00 H new ATOM 0 HB THR A 94 7.666 7.180 4.940 1.00 0.00 H new ATOM 0 HG1 THR A 94 9.735 8.262 5.156 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.742 5.872 5.192 1.00 0.00 H new ATOM 0 HG22 THR A 94 8.566 5.044 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 94 9.960 5.885 3.426 1.00 0.00 H new ATOM 1565 N LYS A 95 6.862 9.545 2.588 1.00 0.00 N ATOM 1566 CA LYS A 95 5.882 10.622 2.650 1.00 0.00 C ATOM 1567 C LYS A 95 4.795 10.431 1.597 1.00 0.00 C ATOM 1568 O LYS A 95 3.720 11.024 1.685 1.00 0.00 O ATOM 1569 CB LYS A 95 6.568 11.976 2.451 1.00 0.00 C ATOM 1570 CG LYS A 95 7.511 12.352 3.581 1.00 0.00 C ATOM 1571 CD LYS A 95 6.790 13.116 4.678 1.00 0.00 C ATOM 1572 CE LYS A 95 7.748 13.555 5.774 1.00 0.00 C ATOM 1573 NZ LYS A 95 7.831 12.553 6.873 1.00 0.00 N ATOM 0 H LYS A 95 7.791 9.837 2.285 1.00 0.00 H new ATOM 0 HA LYS A 95 5.416 10.599 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.126 11.957 1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.806 12.749 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.958 11.450 3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.326 12.960 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.299 13.990 4.251 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.008 12.489 5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.740 13.710 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.421 14.513 6.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.494 12.889 7.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.890 12.423 7.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.167 11.646 6.491 1.00 0.00 H new ATOM 1587 N LEU A 96 5.082 9.599 0.602 1.00 0.00 N ATOM 1588 CA LEU A 96 4.129 9.328 -0.468 1.00 0.00 C ATOM 1589 C LEU A 96 3.249 8.131 -0.123 1.00 0.00 C ATOM 1590 O LEU A 96 2.036 8.155 -0.340 1.00 0.00 O ATOM 1591 CB LEU A 96 4.867 9.071 -1.783 1.00 0.00 C ATOM 1592 CG LEU A 96 6.007 10.035 -2.112 1.00 0.00 C ATOM 1593 CD1 LEU A 96 7.025 9.366 -3.024 1.00 0.00 C ATOM 1594 CD2 LEU A 96 5.465 11.303 -2.754 1.00 0.00 C ATOM 0 H LEU A 96 5.967 9.100 0.514 1.00 0.00 H new ATOM 0 HA LEU A 96 3.491 10.204 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.270 8.058 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.142 9.106 -2.596 1.00 0.00 H new ATOM 0 HG LEU A 96 6.506 10.308 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.829 10.067 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.437 8.488 -2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.539 9.063 -3.952 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.291 11.977 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.940 11.049 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.775 11.793 -2.067 1.00 0.00 H new ATOM 1606 N LEU A 97 3.866 7.086 0.417 1.00 0.00 N ATOM 1607 CA LEU A 97 3.139 5.879 0.795 1.00 0.00 C ATOM 1608 C LEU A 97 2.069 6.192 1.836 1.00 0.00 C ATOM 1609 O LEU A 97 0.967 5.646 1.791 1.00 0.00 O ATOM 1610 CB LEU A 97 4.106 4.827 1.341 1.00 0.00 C ATOM 1611 CG LEU A 97 5.133 4.281 0.349 1.00 0.00 C ATOM 1612 CD1 LEU A 97 6.206 3.485 1.076 1.00 0.00 C ATOM 1613 CD2 LEU A 97 4.452 3.422 -0.706 1.00 0.00 C ATOM 0 H LEU A 97 4.868 7.050 0.603 1.00 0.00 H new ATOM 0 HA LEU A 97 2.649 5.485 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.641 5.259 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.522 3.991 1.726 1.00 0.00 H new ATOM 0 HG LEU A 97 5.610 5.124 -0.151 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.928 3.104 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.715 4.130 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.745 2.650 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.199 3.042 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.947 2.585 -0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.722 4.023 -1.248 1.00 0.00 H new