USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 63 GLN : amide:sc= -1.84 K(o=-1.8,f=-4.3) USER MOD Single : A 66 HIS : no HD1:sc= -0.0717 X(o=-0.072,f=-0.24) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 13:sc= 1.27 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -34:sc= -2.69! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= -1.02 K(o=-1,f=-3) USER MOD Single : B 66 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.1) USER MOD Single : B 67 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : B 69 SER OG : rot 180:sc= -0.79 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 175:sc= 0 (180deg=-0.0292) USER MOD Single : B 87 THR OG1 : rot -37:sc= -2.07! USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= -0.06 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 5.009 -19.560 -10.800 1.00 0.00 N ATOM 2 CA ARG A 61 5.750 -18.513 -11.492 1.00 0.00 C ATOM 3 C ARG A 61 4.950 -17.214 -11.531 1.00 0.00 C ATOM 4 O ARG A 61 4.909 -16.527 -12.551 1.00 0.00 O ATOM 5 CB ARG A 61 6.091 -18.956 -12.916 1.00 0.00 C ATOM 6 CG ARG A 61 7.173 -20.022 -12.979 1.00 0.00 C ATOM 7 CD ARG A 61 7.339 -20.564 -14.390 1.00 0.00 C ATOM 8 NE ARG A 61 8.460 -21.496 -14.490 1.00 0.00 N ATOM 9 CZ ARG A 61 8.996 -21.879 -15.644 1.00 0.00 C ATOM 10 NH1 ARG A 61 8.517 -21.413 -16.789 1.00 0.00 N ATOM 11 NH2 ARG A 61 10.014 -22.730 -15.653 1.00 0.00 N ATOM 0 HA ARG A 61 6.674 -18.334 -10.942 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.189 -19.337 -13.395 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.414 -18.088 -13.490 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.119 -19.603 -12.635 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.921 -20.838 -12.302 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.421 -21.067 -14.696 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.494 -19.735 -15.081 1.00 0.00 H new ATOM 0 HE ARG A 61 8.852 -21.873 -13.627 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.735 -20.758 -16.786 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.931 -21.709 -17.673 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.385 -23.090 -14.774 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.425 -23.024 -16.539 1.00 0.00 H new ATOM 25 N VAL A 62 4.313 -16.884 -10.411 1.00 0.00 N ATOM 26 CA VAL A 62 3.514 -15.669 -10.316 1.00 0.00 C ATOM 27 C VAL A 62 3.623 -15.046 -8.929 1.00 0.00 C ATOM 28 O VAL A 62 3.804 -15.749 -7.936 1.00 0.00 O ATOM 29 CB VAL A 62 2.031 -15.946 -10.627 1.00 0.00 C ATOM 30 CG1 VAL A 62 1.249 -14.644 -10.705 1.00 0.00 C ATOM 31 CG2 VAL A 62 1.896 -16.738 -11.919 1.00 0.00 C ATOM 0 H VAL A 62 4.335 -17.442 -9.557 1.00 0.00 H new ATOM 0 HA VAL A 62 3.909 -14.973 -11.056 1.00 0.00 H new ATOM 0 HB VAL A 62 1.614 -16.544 -9.817 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.204 -14.860 -10.925 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.318 -14.120 -9.751 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.664 -14.017 -11.494 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.842 -16.925 -12.123 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.330 -16.169 -12.741 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.420 -17.689 -11.819 1.00 0.00 H new ATOM 41 N GLN A 63 3.512 -13.723 -8.870 1.00 0.00 N ATOM 42 CA GLN A 63 3.599 -13.005 -7.604 1.00 0.00 C ATOM 43 C GLN A 63 4.972 -13.191 -6.966 1.00 0.00 C ATOM 44 O GLN A 63 5.614 -14.228 -7.140 1.00 0.00 O ATOM 45 CB GLN A 63 2.509 -13.486 -6.645 1.00 0.00 C ATOM 46 CG GLN A 63 2.725 -13.043 -5.207 1.00 0.00 C ATOM 47 CD GLN A 63 3.602 -14.002 -4.426 1.00 0.00 C ATOM 48 OE1 GLN A 63 4.657 -13.622 -3.918 1.00 0.00 O ATOM 49 NE2 GLN A 63 3.169 -15.253 -4.326 1.00 0.00 N ATOM 0 H GLN A 63 3.362 -13.127 -9.684 1.00 0.00 H new ATOM 0 HA GLN A 63 3.453 -11.944 -7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.544 -13.115 -6.990 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.462 -14.574 -6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.181 -12.053 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.759 -12.953 -4.710 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.288 -15.524 -4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 63 3.717 -15.943 -3.812 1.00 0.00 H new ATOM 58 N LEU A 64 5.417 -12.181 -6.228 1.00 0.00 N ATOM 59 CA LEU A 64 6.715 -12.232 -5.563 1.00 0.00 C ATOM 60 C LEU A 64 6.826 -11.146 -4.499 1.00 0.00 C ATOM 61 O LEU A 64 6.074 -10.172 -4.511 1.00 0.00 O ATOM 62 CB LEU A 64 7.841 -12.075 -6.587 1.00 0.00 C ATOM 63 CG LEU A 64 7.777 -10.827 -7.468 1.00 0.00 C ATOM 64 CD1 LEU A 64 8.359 -9.627 -6.737 1.00 0.00 C ATOM 65 CD2 LEU A 64 8.512 -11.062 -8.780 1.00 0.00 C ATOM 0 H LEU A 64 4.899 -11.316 -6.074 1.00 0.00 H new ATOM 0 HA LEU A 64 6.807 -13.203 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.792 -12.071 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.842 -12.952 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 64 6.731 -10.618 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.305 -8.748 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.790 -9.445 -5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.400 -9.826 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.456 -10.163 -9.394 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.556 -11.297 -8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.051 -11.894 -9.312 1.00 0.00 H new ATOM 77 N ALA A 65 7.769 -11.319 -3.579 1.00 0.00 N ATOM 78 CA ALA A 65 7.981 -10.352 -2.510 1.00 0.00 C ATOM 79 C ALA A 65 9.371 -10.502 -1.901 1.00 0.00 C ATOM 80 O ALA A 65 9.548 -10.358 -0.691 1.00 0.00 O ATOM 81 CB ALA A 65 6.913 -10.508 -1.437 1.00 0.00 C ATOM 0 H ALA A 65 8.399 -12.121 -3.553 1.00 0.00 H new ATOM 0 HA ALA A 65 7.907 -9.353 -2.939 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.084 -9.779 -0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.929 -10.343 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.960 -11.514 -1.021 1.00 0.00 H new ATOM 87 N HIS A 66 10.354 -10.792 -2.746 1.00 0.00 N ATOM 88 CA HIS A 66 11.729 -10.962 -2.291 1.00 0.00 C ATOM 89 C HIS A 66 12.715 -10.684 -3.422 1.00 0.00 C ATOM 90 O HIS A 66 13.835 -11.195 -3.423 1.00 0.00 O ATOM 91 CB HIS A 66 11.939 -12.378 -1.753 1.00 0.00 C ATOM 92 CG HIS A 66 12.650 -12.418 -0.435 1.00 0.00 C ATOM 93 ND1 HIS A 66 12.267 -11.659 0.650 1.00 0.00 N ATOM 94 CD2 HIS A 66 13.725 -13.135 -0.030 1.00 0.00 C ATOM 95 CE1 HIS A 66 13.077 -11.905 1.665 1.00 0.00 C ATOM 96 NE2 HIS A 66 13.970 -12.798 1.278 1.00 0.00 N ATOM 0 H HIS A 66 10.224 -10.914 -3.750 1.00 0.00 H new ATOM 0 HA HIS A 66 11.911 -10.246 -1.490 1.00 0.00 H new ATOM 0 HB2 HIS A 66 10.970 -12.866 -1.649 1.00 0.00 H new ATOM 0 HB3 HIS A 66 12.509 -12.954 -2.482 1.00 0.00 H new ATOM 0 HD2 HIS A 66 14.285 -13.841 -0.625 1.00 0.00 H new ATOM 0 HE1 HIS A 66 13.019 -11.453 2.644 1.00 0.00 H new ATOM 0 HE2 HIS A 66 14.720 -13.176 1.857 1.00 0.00 H new ATOM 104 N HIS A 67 12.290 -9.871 -4.384 1.00 0.00 N ATOM 105 CA HIS A 67 13.135 -9.525 -5.521 1.00 0.00 C ATOM 106 C HIS A 67 12.405 -8.582 -6.473 1.00 0.00 C ATOM 107 O HIS A 67 12.580 -8.655 -7.690 1.00 0.00 O ATOM 108 CB HIS A 67 13.565 -10.789 -6.267 1.00 0.00 C ATOM 109 CG HIS A 67 15.030 -10.831 -6.578 1.00 0.00 C ATOM 110 ND1 HIS A 67 15.896 -11.734 -6.000 1.00 0.00 N ATOM 111 CD2 HIS A 67 15.779 -10.075 -7.415 1.00 0.00 C ATOM 112 CE1 HIS A 67 17.116 -11.531 -6.466 1.00 0.00 C ATOM 113 NE2 HIS A 67 17.072 -10.530 -7.327 1.00 0.00 N ATOM 0 H HIS A 67 11.366 -9.440 -4.399 1.00 0.00 H new ATOM 0 HA HIS A 67 14.021 -9.016 -5.142 1.00 0.00 H new ATOM 0 HB2 HIS A 67 13.304 -11.661 -5.668 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.002 -10.861 -7.198 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.426 -9.265 -8.036 1.00 0.00 H new ATOM 0 HE1 HIS A 67 17.999 -12.089 -6.190 1.00 0.00 H new ATOM 0 HE2 HIS A 67 17.869 -10.156 -7.843 1.00 0.00 H new ATOM 121 N PHE A 68 11.588 -7.698 -5.911 1.00 0.00 N ATOM 122 CA PHE A 68 10.830 -6.742 -6.710 1.00 0.00 C ATOM 123 C PHE A 68 11.764 -5.867 -7.542 1.00 0.00 C ATOM 124 O PHE A 68 12.793 -5.400 -7.054 1.00 0.00 O ATOM 125 CB PHE A 68 9.962 -5.864 -5.806 1.00 0.00 C ATOM 126 CG PHE A 68 10.690 -5.341 -4.600 1.00 0.00 C ATOM 127 CD1 PHE A 68 11.539 -4.252 -4.706 1.00 0.00 C ATOM 128 CD2 PHE A 68 10.524 -5.939 -3.362 1.00 0.00 C ATOM 129 CE1 PHE A 68 12.210 -3.770 -3.598 1.00 0.00 C ATOM 130 CE2 PHE A 68 11.192 -5.461 -2.250 1.00 0.00 C ATOM 131 CZ PHE A 68 12.035 -4.374 -2.369 1.00 0.00 C ATOM 0 H PHE A 68 11.434 -7.623 -4.906 1.00 0.00 H new ATOM 0 HA PHE A 68 10.186 -7.303 -7.387 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.584 -5.022 -6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.096 -6.439 -5.477 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.678 -3.774 -5.665 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.865 -6.789 -3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.871 -2.921 -3.694 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.055 -5.937 -1.290 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.557 -3.997 -1.502 1.00 0.00 H new ATOM 141 N SER A 69 11.397 -5.651 -8.801 1.00 0.00 N ATOM 142 CA SER A 69 12.204 -4.837 -9.703 1.00 0.00 C ATOM 143 C SER A 69 11.421 -4.487 -10.965 1.00 0.00 C ATOM 144 O SER A 69 10.246 -4.828 -11.093 1.00 0.00 O ATOM 145 CB SER A 69 13.492 -5.574 -10.076 1.00 0.00 C ATOM 146 OG SER A 69 14.460 -5.459 -9.048 1.00 0.00 O ATOM 0 H SER A 69 10.547 -6.028 -9.220 1.00 0.00 H new ATOM 0 HA SER A 69 12.460 -3.912 -9.187 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.273 -6.626 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.892 -5.166 -11.004 1.00 0.00 H new ATOM 0 HG SER A 69 14.037 -5.105 -8.238 1.00 0.00 H new ATOM 152 N GLU A 70 12.083 -3.804 -11.894 1.00 0.00 N ATOM 153 CA GLU A 70 11.449 -3.407 -13.146 1.00 0.00 C ATOM 154 C GLU A 70 12.495 -3.000 -14.180 1.00 0.00 C ATOM 155 O GLU A 70 12.599 -1.836 -14.569 1.00 0.00 O ATOM 156 CB GLU A 70 10.475 -2.252 -12.906 1.00 0.00 C ATOM 157 CG GLU A 70 11.026 -1.172 -11.990 1.00 0.00 C ATOM 158 CD GLU A 70 10.819 -1.491 -10.522 1.00 0.00 C ATOM 159 OE1 GLU A 70 9.650 -1.593 -10.096 1.00 0.00 O ATOM 160 OE2 GLU A 70 11.828 -1.639 -9.800 1.00 0.00 O ATOM 0 H GLU A 70 13.057 -3.514 -11.803 1.00 0.00 H new ATOM 0 HA GLU A 70 10.896 -4.264 -13.532 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.212 -1.804 -13.864 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.555 -2.647 -12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.091 -1.045 -12.184 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.544 -0.222 -12.223 1.00 0.00 H new ATOM 167 N PRO A 71 13.290 -3.980 -14.635 1.00 0.00 N ATOM 168 CA PRO A 71 14.342 -3.748 -15.629 1.00 0.00 C ATOM 169 C PRO A 71 13.775 -3.433 -17.010 1.00 0.00 C ATOM 170 O PRO A 71 14.438 -2.801 -17.832 1.00 0.00 O ATOM 171 CB PRO A 71 15.104 -5.076 -15.655 1.00 0.00 C ATOM 172 CG PRO A 71 14.111 -6.091 -15.204 1.00 0.00 C ATOM 173 CD PRO A 71 13.222 -5.389 -14.215 1.00 0.00 C ATOM 0 HA PRO A 71 14.962 -2.889 -15.373 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.474 -5.301 -16.655 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.970 -5.048 -14.994 1.00 0.00 H new ATOM 0 HG2 PRO A 71 13.533 -6.473 -16.046 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.608 -6.946 -14.745 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.201 -5.770 -14.251 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.576 -5.521 -13.192 1.00 0.00 H new ATOM 181 N GLU A 72 12.546 -3.875 -17.256 1.00 0.00 N ATOM 182 CA GLU A 72 11.892 -3.639 -18.537 1.00 0.00 C ATOM 183 C GLU A 72 11.355 -2.213 -18.619 1.00 0.00 C ATOM 184 O GLU A 72 10.197 -1.995 -18.977 1.00 0.00 O ATOM 185 CB GLU A 72 10.752 -4.638 -18.745 1.00 0.00 C ATOM 186 CG GLU A 72 11.154 -6.081 -18.490 1.00 0.00 C ATOM 187 CD GLU A 72 12.351 -6.509 -19.316 1.00 0.00 C ATOM 188 OE1 GLU A 72 13.466 -6.015 -19.047 1.00 0.00 O ATOM 189 OE2 GLU A 72 12.172 -7.339 -20.233 1.00 0.00 O ATOM 0 H GLU A 72 11.983 -4.398 -16.585 1.00 0.00 H new ATOM 0 HA GLU A 72 12.633 -3.776 -19.325 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.926 -4.377 -18.083 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.383 -4.548 -19.766 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.383 -6.209 -17.432 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.311 -6.734 -18.714 1.00 0.00 H new ATOM 196 N ILE A 73 12.203 -1.247 -18.285 1.00 0.00 N ATOM 197 CA ILE A 73 11.814 0.157 -18.320 1.00 0.00 C ATOM 198 C ILE A 73 11.453 0.591 -19.737 1.00 0.00 C ATOM 199 O ILE A 73 10.310 0.956 -20.015 1.00 0.00 O ATOM 200 CB ILE A 73 12.937 1.066 -17.788 1.00 0.00 C ATOM 201 CG1 ILE A 73 13.290 0.687 -16.348 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.520 2.527 -17.869 1.00 0.00 C ATOM 203 CD1 ILE A 73 12.160 0.917 -15.368 1.00 0.00 C ATOM 0 H ILE A 73 13.165 -1.411 -17.987 1.00 0.00 H new ATOM 0 HA ILE A 73 10.940 0.259 -17.676 1.00 0.00 H new ATOM 0 HB ILE A 73 13.822 0.926 -18.409 1.00 0.00 H new ATOM 0 HG12 ILE A 73 13.578 -0.364 -16.318 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.158 1.265 -16.031 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.325 3.157 -17.489 1.00 0.00 H new ATOM 0 HG22 ILE A 73 12.313 2.789 -18.907 1.00 0.00 H new ATOM 0 HG23 ILE A 73 11.623 2.683 -17.269 1.00 0.00 H new ATOM 0 HD11 ILE A 73 12.481 0.627 -14.368 1.00 0.00 H new ATOM 0 HD12 ILE A 73 11.886 1.972 -15.369 1.00 0.00 H new ATOM 0 HD13 ILE A 73 11.297 0.318 -15.660 1.00 0.00 H new ATOM 215 N THR A 74 12.435 0.548 -20.632 1.00 0.00 N ATOM 216 CA THR A 74 12.221 0.937 -22.020 1.00 0.00 C ATOM 217 C THR A 74 10.977 0.268 -22.593 1.00 0.00 C ATOM 218 O THR A 74 10.216 0.885 -23.340 1.00 0.00 O ATOM 219 CB THR A 74 13.434 0.575 -22.898 1.00 0.00 C ATOM 220 OG1 THR A 74 14.620 1.178 -22.368 1.00 0.00 O ATOM 221 CG2 THR A 74 13.222 1.036 -24.332 1.00 0.00 C ATOM 0 H THR A 74 13.386 0.248 -20.420 1.00 0.00 H new ATOM 0 HA THR A 74 12.085 2.018 -22.028 1.00 0.00 H new ATOM 0 HB THR A 74 13.546 -0.509 -22.895 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.387 0.942 -22.931 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.092 0.769 -24.932 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.336 0.552 -24.742 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.087 2.117 -24.350 1.00 0.00 H new ATOM 229 N LEU A 75 10.774 -0.996 -22.239 1.00 0.00 N ATOM 230 CA LEU A 75 9.620 -1.749 -22.717 1.00 0.00 C ATOM 231 C LEU A 75 8.318 -1.049 -22.341 1.00 0.00 C ATOM 232 O LEU A 75 7.475 -0.783 -23.197 1.00 0.00 O ATOM 233 CB LEU A 75 9.635 -3.166 -22.140 1.00 0.00 C ATOM 234 CG LEU A 75 10.604 -4.148 -22.798 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.491 -5.522 -22.155 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.341 -4.235 -24.295 1.00 0.00 C ATOM 0 H LEU A 75 11.394 -1.521 -21.622 1.00 0.00 H new ATOM 0 HA LEU A 75 9.680 -1.805 -23.804 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.878 -3.102 -21.079 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.628 -3.577 -22.212 1.00 0.00 H new ATOM 0 HG LEU A 75 11.620 -3.782 -22.648 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.188 -6.208 -22.637 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.729 -5.448 -21.094 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.474 -5.896 -22.273 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.040 -4.939 -24.747 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.320 -4.577 -24.466 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.474 -3.251 -24.746 1.00 0.00 H new ATOM 248 N ILE A 76 8.164 -0.750 -21.055 1.00 0.00 N ATOM 249 CA ILE A 76 6.967 -0.078 -20.566 1.00 0.00 C ATOM 250 C ILE A 76 6.737 1.238 -21.302 1.00 0.00 C ATOM 251 O ILE A 76 5.615 1.548 -21.706 1.00 0.00 O ATOM 252 CB ILE A 76 7.055 0.201 -19.054 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.138 -1.113 -18.275 1.00 0.00 C ATOM 254 CG2 ILE A 76 5.858 1.020 -18.596 1.00 0.00 C ATOM 255 CD1 ILE A 76 5.957 -2.029 -18.508 1.00 0.00 C ATOM 0 H ILE A 76 8.853 -0.963 -20.334 1.00 0.00 H new ATOM 0 HA ILE A 76 6.129 -0.749 -20.754 1.00 0.00 H new ATOM 0 HB ILE A 76 7.960 0.776 -18.858 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.053 -1.635 -18.555 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.211 -0.891 -17.210 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.935 1.209 -17.525 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.840 1.969 -19.132 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.940 0.470 -18.802 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.083 -2.941 -17.924 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.040 -1.526 -18.201 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.896 -2.281 -19.567 1.00 0.00 H new ATOM 267 N ILE A 77 7.806 2.008 -21.474 1.00 0.00 N ATOM 268 CA ILE A 77 7.721 3.289 -22.164 1.00 0.00 C ATOM 269 C ILE A 77 7.289 3.105 -23.615 1.00 0.00 C ATOM 270 O ILE A 77 6.372 3.775 -24.090 1.00 0.00 O ATOM 271 CB ILE A 77 9.067 4.036 -22.132 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.449 4.383 -20.691 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.996 5.295 -22.984 1.00 0.00 C ATOM 274 CD1 ILE A 77 8.576 5.454 -20.076 1.00 0.00 C ATOM 0 H ILE A 77 8.741 1.767 -21.145 1.00 0.00 H new ATOM 0 HA ILE A 77 6.973 3.882 -21.637 1.00 0.00 H new ATOM 0 HB ILE A 77 9.836 3.384 -22.546 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.389 3.482 -20.081 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.487 4.715 -20.669 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.955 5.811 -22.951 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.765 5.025 -24.014 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.217 5.952 -22.598 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.904 5.649 -19.055 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.655 6.369 -20.663 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.539 5.117 -20.066 1.00 0.00 H new ATOM 286 N PHE A 78 7.955 2.191 -24.313 1.00 0.00 N ATOM 287 CA PHE A 78 7.640 1.918 -25.710 1.00 0.00 C ATOM 288 C PHE A 78 6.165 1.563 -25.875 1.00 0.00 C ATOM 289 O PHE A 78 5.482 2.095 -26.750 1.00 0.00 O ATOM 290 CB PHE A 78 8.512 0.777 -26.238 1.00 0.00 C ATOM 291 CG PHE A 78 8.118 0.305 -27.608 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.594 0.948 -28.740 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.272 -0.780 -27.765 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.234 0.517 -30.003 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.909 -1.216 -29.025 1.00 0.00 C ATOM 296 CZ PHE A 78 7.389 -0.566 -30.145 1.00 0.00 C ATOM 0 H PHE A 78 8.716 1.627 -23.934 1.00 0.00 H new ATOM 0 HA PHE A 78 7.846 2.820 -26.286 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.551 1.105 -26.261 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.458 -0.062 -25.544 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.254 1.796 -28.634 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.892 -1.291 -26.893 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.613 1.026 -30.877 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.250 -2.065 -29.134 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.104 -0.904 -31.130 1.00 0.00 H new ATOM 306 N GLY A 79 5.680 0.660 -25.028 1.00 0.00 N ATOM 307 CA GLY A 79 4.290 0.249 -25.097 1.00 0.00 C ATOM 308 C GLY A 79 3.334 1.419 -24.987 1.00 0.00 C ATOM 309 O GLY A 79 2.470 1.608 -25.844 1.00 0.00 O ATOM 0 H GLY A 79 6.225 0.206 -24.295 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.115 -0.272 -26.038 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.084 -0.461 -24.296 1.00 0.00 H new ATOM 313 N VAL A 80 3.485 2.208 -23.927 1.00 0.00 N ATOM 314 CA VAL A 80 2.626 3.366 -23.707 1.00 0.00 C ATOM 315 C VAL A 80 2.784 4.388 -24.827 1.00 0.00 C ATOM 316 O VAL A 80 1.825 5.056 -25.212 1.00 0.00 O ATOM 317 CB VAL A 80 2.935 4.045 -22.360 1.00 0.00 C ATOM 318 CG1 VAL A 80 1.985 5.208 -22.118 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.856 3.036 -21.224 1.00 0.00 C ATOM 0 H VAL A 80 4.194 2.066 -23.208 1.00 0.00 H new ATOM 0 HA VAL A 80 1.599 3.001 -23.695 1.00 0.00 H new ATOM 0 HB VAL A 80 3.951 4.438 -22.396 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.219 5.676 -21.161 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.096 5.941 -22.917 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.958 4.842 -22.102 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.077 3.533 -20.280 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.853 2.611 -21.184 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.581 2.240 -21.393 1.00 0.00 H new ATOM 329 N MET A 81 4.002 4.503 -25.348 1.00 0.00 N ATOM 330 CA MET A 81 4.285 5.443 -26.426 1.00 0.00 C ATOM 331 C MET A 81 3.547 5.047 -27.701 1.00 0.00 C ATOM 332 O MET A 81 2.919 5.882 -28.351 1.00 0.00 O ATOM 333 CB MET A 81 5.790 5.507 -26.694 1.00 0.00 C ATOM 334 CG MET A 81 6.555 6.331 -25.670 1.00 0.00 C ATOM 335 SD MET A 81 6.598 8.085 -26.083 1.00 0.00 S ATOM 336 CE MET A 81 5.609 8.770 -24.755 1.00 0.00 C ATOM 0 H MET A 81 4.807 3.957 -25.041 1.00 0.00 H new ATOM 0 HA MET A 81 3.936 6.428 -26.116 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.192 4.494 -26.707 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.957 5.928 -27.685 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.095 6.204 -24.690 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.575 5.954 -25.595 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.542 9.852 -24.872 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.608 8.339 -24.787 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.074 8.536 -23.797 1.00 0.00 H new ATOM 346 N ALA A 82 3.628 3.768 -28.053 1.00 0.00 N ATOM 347 CA ALA A 82 2.966 3.261 -29.249 1.00 0.00 C ATOM 348 C ALA A 82 1.449 3.340 -29.112 1.00 0.00 C ATOM 349 O ALA A 82 0.755 3.774 -30.029 1.00 0.00 O ATOM 350 CB ALA A 82 3.399 1.829 -29.525 1.00 0.00 C ATOM 0 H ALA A 82 4.146 3.064 -27.527 1.00 0.00 H new ATOM 0 HA ALA A 82 3.262 3.887 -30.091 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.897 1.463 -30.421 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.478 1.798 -29.676 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.133 1.198 -28.677 1.00 0.00 H new ATOM 356 N GLY A 83 0.941 2.915 -27.959 1.00 0.00 N ATOM 357 CA GLY A 83 -0.491 2.945 -27.723 1.00 0.00 C ATOM 358 C GLY A 83 -1.057 4.350 -27.769 1.00 0.00 C ATOM 359 O GLY A 83 -2.031 4.613 -28.474 1.00 0.00 O ATOM 0 H GLY A 83 1.495 2.551 -27.184 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.992 2.330 -28.471 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.705 2.502 -26.750 1.00 0.00 H new ATOM 363 N VAL A 84 -0.445 5.258 -27.014 1.00 0.00 N ATOM 364 CA VAL A 84 -0.894 6.644 -26.971 1.00 0.00 C ATOM 365 C VAL A 84 -0.972 7.241 -28.372 1.00 0.00 C ATOM 366 O VAL A 84 -2.030 7.699 -28.804 1.00 0.00 O ATOM 367 CB VAL A 84 0.042 7.511 -26.108 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.265 8.988 -26.304 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.077 7.124 -24.641 1.00 0.00 C ATOM 0 H VAL A 84 0.363 5.058 -26.424 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.888 6.640 -26.525 1.00 0.00 H new ATOM 0 HB VAL A 84 1.069 7.333 -26.426 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.406 9.584 -25.686 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.125 9.253 -27.352 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.297 9.187 -26.014 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.591 7.746 -24.045 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.104 7.272 -24.308 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.197 6.076 -24.518 1.00 0.00 H new ATOM 379 N ILE A 85 0.154 7.230 -29.077 1.00 0.00 N ATOM 380 CA ILE A 85 0.213 7.769 -30.430 1.00 0.00 C ATOM 381 C ILE A 85 -0.826 7.108 -31.330 1.00 0.00 C ATOM 382 O ILE A 85 -1.472 7.771 -32.140 1.00 0.00 O ATOM 383 CB ILE A 85 1.609 7.579 -31.051 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.663 8.319 -30.225 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.619 8.068 -32.492 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.491 9.822 -30.232 1.00 0.00 C ATOM 0 H ILE A 85 1.038 6.854 -28.734 1.00 0.00 H new ATOM 0 HA ILE A 85 0.000 8.835 -30.355 1.00 0.00 H new ATOM 0 HB ILE A 85 1.851 6.516 -31.047 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.623 7.962 -29.196 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.653 8.073 -30.610 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.613 7.927 -32.917 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.892 7.501 -33.074 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.360 9.126 -32.519 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.273 10.281 -29.626 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.561 10.191 -31.255 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.515 10.078 -29.820 1.00 0.00 H new ATOM 398 N GLY A 86 -0.982 5.796 -31.181 1.00 0.00 N ATOM 399 CA GLY A 86 -1.944 5.067 -31.986 1.00 0.00 C ATOM 400 C GLY A 86 -3.357 5.588 -31.812 1.00 0.00 C ATOM 401 O GLY A 86 -4.040 5.894 -32.791 1.00 0.00 O ATOM 0 H GLY A 86 -0.459 5.225 -30.517 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.661 5.136 -33.036 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.913 4.011 -31.716 1.00 0.00 H new ATOM 405 N THR A 87 -3.801 5.687 -30.563 1.00 0.00 N ATOM 406 CA THR A 87 -5.143 6.171 -30.264 1.00 0.00 C ATOM 407 C THR A 87 -5.368 7.562 -30.846 1.00 0.00 C ATOM 408 O THR A 87 -6.412 7.835 -31.439 1.00 0.00 O ATOM 409 CB THR A 87 -5.399 6.215 -28.746 1.00 0.00 C ATOM 410 OG1 THR A 87 -4.834 5.057 -28.120 1.00 0.00 O ATOM 411 CG2 THR A 87 -6.890 6.281 -28.451 1.00 0.00 C ATOM 0 H THR A 87 -3.250 5.438 -29.741 1.00 0.00 H new ATOM 0 HA THR A 87 -5.841 5.471 -30.723 1.00 0.00 H new ATOM 0 HB THR A 87 -4.925 7.111 -28.345 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.906 4.290 -28.726 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.047 6.311 -27.373 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.311 7.178 -28.904 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.382 5.401 -28.865 1.00 0.00 H new ATOM 419 N ILE A 88 -4.382 8.437 -30.674 1.00 0.00 N ATOM 420 CA ILE A 88 -4.473 9.799 -31.185 1.00 0.00 C ATOM 421 C ILE A 88 -4.782 9.807 -32.678 1.00 0.00 C ATOM 422 O ILE A 88 -5.714 10.477 -33.127 1.00 0.00 O ATOM 423 CB ILE A 88 -3.170 10.581 -30.937 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.861 10.640 -29.439 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.276 11.984 -31.517 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.400 10.879 -29.133 1.00 0.00 C ATOM 0 H ILE A 88 -3.512 8.227 -30.185 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.287 10.285 -30.646 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.352 10.062 -31.437 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.454 11.434 -28.985 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.173 9.704 -28.975 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.347 12.525 -31.334 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.454 11.921 -32.591 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.103 12.512 -31.043 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.255 10.909 -28.053 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.803 10.072 -29.557 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.088 11.829 -29.568 1.00 0.00 H new ATOM 438 N LEU A 89 -3.996 9.058 -33.443 1.00 0.00 N ATOM 439 CA LEU A 89 -4.186 8.977 -34.887 1.00 0.00 C ATOM 440 C LEU A 89 -5.601 8.519 -35.225 1.00 0.00 C ATOM 441 O LEU A 89 -6.309 9.171 -35.994 1.00 0.00 O ATOM 442 CB LEU A 89 -3.166 8.016 -35.502 1.00 0.00 C ATOM 443 CG LEU A 89 -1.738 8.548 -35.634 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.737 7.403 -35.596 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.585 9.351 -36.917 1.00 0.00 C ATOM 0 H LEU A 89 -3.221 8.498 -33.088 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.037 9.973 -35.305 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.140 7.109 -34.897 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.519 7.729 -36.493 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.536 9.208 -34.790 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.274 7.800 -35.691 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.830 6.870 -34.650 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.937 6.718 -36.420 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.563 9.722 -36.994 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.806 8.714 -37.773 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.277 10.193 -36.904 1.00 0.00 H new ATOM 457 N LEU A 90 -6.008 7.395 -34.645 1.00 0.00 N ATOM 458 CA LEU A 90 -7.340 6.851 -34.882 1.00 0.00 C ATOM 459 C LEU A 90 -8.417 7.866 -34.514 1.00 0.00 C ATOM 460 O LEU A 90 -9.315 8.149 -35.308 1.00 0.00 O ATOM 461 CB LEU A 90 -7.538 5.565 -34.077 1.00 0.00 C ATOM 462 CG LEU A 90 -6.729 4.353 -34.539 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.848 3.217 -33.534 1.00 0.00 C ATOM 464 CD2 LEU A 90 -7.187 3.898 -35.917 1.00 0.00 C ATOM 0 H LEU A 90 -5.434 6.843 -34.007 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.429 6.625 -35.945 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.287 5.769 -33.036 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.596 5.302 -34.104 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.681 4.645 -34.605 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.266 2.363 -33.880 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.470 3.546 -32.566 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.894 2.927 -33.435 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.600 3.034 -36.229 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.241 3.625 -35.878 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.048 4.709 -36.632 1.00 0.00 H new ATOM 476 N ILE A 91 -8.321 8.411 -33.306 1.00 0.00 N ATOM 477 CA ILE A 91 -9.285 9.398 -32.835 1.00 0.00 C ATOM 478 C ILE A 91 -9.379 10.577 -33.796 1.00 0.00 C ATOM 479 O ILE A 91 -10.473 11.013 -34.154 1.00 0.00 O ATOM 480 CB ILE A 91 -8.916 9.920 -31.433 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.120 8.823 -30.386 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.746 11.148 -31.091 1.00 0.00 C ATOM 483 CD1 ILE A 91 -10.566 8.416 -30.212 1.00 0.00 C ATOM 0 H ILE A 91 -7.586 8.186 -32.636 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.251 8.896 -32.785 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.864 10.205 -31.432 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.536 7.948 -30.670 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.730 9.169 -29.428 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.474 11.506 -30.098 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.555 11.932 -31.824 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.804 10.888 -31.106 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.636 7.635 -29.455 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.152 9.280 -29.897 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.954 8.039 -31.158 1.00 0.00 H new ATOM 495 N SER A 92 -8.225 11.089 -34.212 1.00 0.00 N ATOM 496 CA SER A 92 -8.177 12.220 -35.131 1.00 0.00 C ATOM 497 C SER A 92 -8.969 11.923 -36.400 1.00 0.00 C ATOM 498 O SER A 92 -9.586 12.814 -36.984 1.00 0.00 O ATOM 499 CB SER A 92 -6.727 12.554 -35.487 1.00 0.00 C ATOM 500 OG SER A 92 -6.646 13.185 -36.753 1.00 0.00 O ATOM 0 H SER A 92 -7.311 10.738 -33.927 1.00 0.00 H new ATOM 0 HA SER A 92 -8.629 13.079 -34.635 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.303 13.207 -34.724 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.131 11.641 -35.493 1.00 0.00 H new ATOM 0 HG SER A 92 -5.710 13.390 -36.957 1.00 0.00 H new ATOM 506 N TYR A 93 -8.947 10.663 -36.822 1.00 0.00 N ATOM 507 CA TYR A 93 -9.661 10.247 -38.023 1.00 0.00 C ATOM 508 C TYR A 93 -11.169 10.266 -37.795 1.00 0.00 C ATOM 509 O TYR A 93 -11.940 10.599 -38.694 1.00 0.00 O ATOM 510 CB TYR A 93 -9.215 8.846 -38.447 1.00 0.00 C ATOM 511 CG TYR A 93 -7.786 8.787 -38.937 1.00 0.00 C ATOM 512 CD1 TYR A 93 -7.281 9.767 -39.784 1.00 0.00 C ATOM 513 CD2 TYR A 93 -6.942 7.752 -38.556 1.00 0.00 C ATOM 514 CE1 TYR A 93 -5.977 9.717 -40.235 1.00 0.00 C ATOM 515 CE2 TYR A 93 -5.635 7.695 -39.001 1.00 0.00 C ATOM 516 CZ TYR A 93 -5.158 8.680 -39.841 1.00 0.00 C ATOM 517 OH TYR A 93 -3.857 8.626 -40.288 1.00 0.00 O ATOM 0 H TYR A 93 -8.442 9.913 -36.350 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.424 10.953 -38.819 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -9.329 8.167 -37.602 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.876 8.487 -39.236 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -7.919 10.581 -40.094 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.314 6.978 -37.901 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.600 10.486 -40.893 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.991 6.885 -38.693 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.416 7.833 -39.917 1.00 0.00 H new ATOM 527 N GLY A 94 -11.583 9.907 -36.584 1.00 0.00 N ATOM 528 CA GLY A 94 -12.997 9.889 -36.257 1.00 0.00 C ATOM 529 C GLY A 94 -13.614 11.274 -36.280 1.00 0.00 C ATOM 530 O GLY A 94 -14.759 11.443 -36.699 1.00 0.00 O ATOM 0 H GLY A 94 -10.964 9.628 -35.823 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.523 9.248 -36.965 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.133 9.450 -35.269 1.00 0.00 H new ATOM 534 N ILE A 95 -12.855 12.266 -35.827 1.00 0.00 N ATOM 535 CA ILE A 95 -13.334 13.642 -35.796 1.00 0.00 C ATOM 536 C ILE A 95 -13.562 14.175 -37.207 1.00 0.00 C ATOM 537 O ILE A 95 -14.445 15.003 -37.433 1.00 0.00 O ATOM 538 CB ILE A 95 -12.345 14.567 -35.063 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.138 14.090 -33.624 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.848 16.003 -35.084 1.00 0.00 C ATOM 541 CD1 ILE A 95 -13.393 14.150 -32.782 1.00 0.00 C ATOM 0 H ILE A 95 -11.905 12.142 -35.476 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.280 13.635 -35.255 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.386 14.531 -35.579 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -11.769 13.065 -33.639 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.366 14.700 -33.155 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.138 16.645 -34.562 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.949 16.338 -36.116 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.818 16.056 -34.589 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.172 13.797 -31.774 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -13.752 15.178 -32.736 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -14.161 13.518 -33.228 1.00 0.00 H new ATOM 553 N ARG A 96 -12.761 13.695 -38.152 1.00 0.00 N ATOM 554 CA ARG A 96 -12.876 14.123 -39.541 1.00 0.00 C ATOM 555 C ARG A 96 -14.127 13.537 -40.189 1.00 0.00 C ATOM 556 O ARG A 96 -14.823 14.216 -40.945 1.00 0.00 O ATOM 557 CB ARG A 96 -11.635 13.703 -40.331 1.00 0.00 C ATOM 558 CG ARG A 96 -11.040 14.821 -41.170 1.00 0.00 C ATOM 559 CD ARG A 96 -10.254 14.274 -42.351 1.00 0.00 C ATOM 560 NE ARG A 96 -8.841 14.090 -42.031 1.00 0.00 N ATOM 561 CZ ARG A 96 -7.941 13.650 -42.904 1.00 0.00 C ATOM 562 NH1 ARG A 96 -8.306 13.349 -44.142 1.00 0.00 N ATOM 563 NH2 ARG A 96 -6.674 13.509 -42.537 1.00 0.00 N ATOM 0 H ARG A 96 -12.025 13.009 -37.981 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.956 15.210 -39.554 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.878 13.340 -39.636 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.895 12.869 -40.984 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.838 15.470 -41.532 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.387 15.435 -40.550 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.682 13.321 -42.661 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.348 14.956 -43.196 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.528 14.311 -41.086 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.280 13.455 -44.427 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -7.613 13.011 -44.810 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.390 13.738 -41.584 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.983 13.171 -43.207 1.00 0.00 H new ATOM 577 N ARG A 97 -14.407 12.273 -39.888 1.00 0.00 N ATOM 578 CA ARG A 97 -15.573 11.596 -40.442 1.00 0.00 C ATOM 579 C ARG A 97 -15.325 11.186 -41.891 1.00 0.00 C ATOM 580 O ARG A 97 -15.649 10.068 -42.295 1.00 0.00 O ATOM 581 CB ARG A 97 -16.802 12.502 -40.360 1.00 0.00 C ATOM 582 CG ARG A 97 -18.073 11.769 -39.961 1.00 0.00 C ATOM 583 CD ARG A 97 -18.100 11.472 -38.470 1.00 0.00 C ATOM 584 NE ARG A 97 -19.363 10.867 -38.055 1.00 0.00 N ATOM 585 CZ ARG A 97 -19.664 10.589 -36.792 1.00 0.00 C ATOM 586 NH1 ARG A 97 -18.798 10.861 -35.825 1.00 0.00 N ATOM 587 NH2 ARG A 97 -20.834 10.038 -36.493 1.00 0.00 N ATOM 0 H ARG A 97 -13.842 11.697 -39.264 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.754 10.697 -39.854 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.610 13.297 -39.639 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.956 12.979 -41.328 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.941 12.371 -40.229 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.147 10.836 -40.520 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -17.278 10.802 -38.219 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.940 12.396 -37.913 1.00 0.00 H new ATOM 0 HE ARG A 97 -20.051 10.646 -38.775 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -17.898 11.285 -36.051 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -19.032 10.646 -34.856 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -21.503 9.828 -37.234 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -21.064 9.825 -35.522 1.00 0.00 H new ATOM 601 N LEU A 98 -14.750 12.097 -42.668 1.00 0.00 N ATOM 602 CA LEU A 98 -14.459 11.830 -44.073 1.00 0.00 C ATOM 603 C LEU A 98 -15.694 11.298 -44.793 1.00 0.00 C ATOM 604 O LEU A 98 -16.053 11.827 -45.844 1.00 0.00 O ATOM 605 CB LEU A 98 -13.311 10.827 -44.195 1.00 0.00 C ATOM 606 CG LEU A 98 -12.860 10.494 -45.617 1.00 0.00 C ATOM 607 CD1 LEU A 98 -12.084 11.656 -46.218 1.00 0.00 C ATOM 608 CD2 LEU A 98 -12.017 9.226 -45.626 1.00 0.00 C ATOM 0 H LEU A 98 -14.476 13.027 -42.350 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.164 12.768 -44.542 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -12.454 11.217 -43.645 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.610 9.901 -43.704 1.00 0.00 H new ATOM 0 HG LEU A 98 -13.747 10.322 -46.227 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -11.771 11.400 -47.230 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -12.719 12.541 -46.247 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.204 11.861 -45.608 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.705 9.004 -46.646 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.136 9.370 -45.000 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.606 8.395 -45.238 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 18.368 -12.668 1.764 1.00 0.00 N ATOM 622 CA ARG B 61 19.159 -13.303 0.717 1.00 0.00 C ATOM 623 C ARG B 61 19.118 -12.481 -0.568 1.00 0.00 C ATOM 624 O ARG B 61 18.183 -11.715 -0.799 1.00 0.00 O ATOM 625 CB ARG B 61 18.646 -14.718 0.447 1.00 0.00 C ATOM 626 CG ARG B 61 19.728 -15.681 -0.014 1.00 0.00 C ATOM 627 CD ARG B 61 20.610 -16.123 1.143 1.00 0.00 C ATOM 628 NE ARG B 61 21.766 -15.247 1.316 1.00 0.00 N ATOM 629 CZ ARG B 61 22.760 -15.500 2.160 1.00 0.00 C ATOM 630 NH1 ARG B 61 22.740 -16.597 2.903 1.00 0.00 N ATOM 631 NH2 ARG B 61 23.778 -14.654 2.260 1.00 0.00 N ATOM 0 HA ARG B 61 20.192 -13.359 1.060 1.00 0.00 H new ATOM 0 HB2 ARG B 61 18.187 -15.108 1.355 1.00 0.00 H new ATOM 0 HB3 ARG B 61 17.864 -14.673 -0.311 1.00 0.00 H new ATOM 0 HG2 ARG B 61 19.267 -16.554 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG B 61 20.341 -15.203 -0.778 1.00 0.00 H new ATOM 0 HD2 ARG B 61 20.024 -16.135 2.062 1.00 0.00 H new ATOM 0 HD3 ARG B 61 20.951 -17.144 0.969 1.00 0.00 H new ATOM 0 HE ARG B 61 21.812 -14.394 0.758 1.00 0.00 H new ATOM 0 HH11 ARG B 61 21.960 -17.250 2.828 1.00 0.00 H new ATOM 0 HH12 ARG B 61 23.505 -16.789 3.550 1.00 0.00 H new ATOM 0 HH21 ARG B 61 23.797 -13.809 1.689 1.00 0.00 H new ATOM 0 HH22 ARG B 61 24.541 -14.849 2.908 1.00 0.00 H new ATOM 645 N VAL B 62 20.140 -12.646 -1.403 1.00 0.00 N ATOM 646 CA VAL B 62 20.221 -11.921 -2.665 1.00 0.00 C ATOM 647 C VAL B 62 20.998 -12.717 -3.707 1.00 0.00 C ATOM 648 O VAL B 62 21.966 -13.405 -3.382 1.00 0.00 O ATOM 649 CB VAL B 62 20.891 -10.546 -2.481 1.00 0.00 C ATOM 650 CG1 VAL B 62 22.325 -10.711 -2.000 1.00 0.00 C ATOM 651 CG2 VAL B 62 20.842 -9.753 -3.778 1.00 0.00 C ATOM 0 H VAL B 62 20.923 -13.276 -1.228 1.00 0.00 H new ATOM 0 HA VAL B 62 19.198 -11.775 -3.012 1.00 0.00 H new ATOM 0 HB VAL B 62 20.341 -9.991 -1.721 1.00 0.00 H new ATOM 0 HG11 VAL B 62 22.782 -9.729 -1.876 1.00 0.00 H new ATOM 0 HG12 VAL B 62 22.330 -11.237 -1.046 1.00 0.00 H new ATOM 0 HG13 VAL B 62 22.891 -11.285 -2.734 1.00 0.00 H new ATOM 0 HG21 VAL B 62 21.320 -8.784 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL B 62 21.368 -10.301 -4.560 1.00 0.00 H new ATOM 0 HG23 VAL B 62 19.804 -9.604 -4.074 1.00 0.00 H new ATOM 661 N GLN B 63 20.569 -12.618 -4.961 1.00 0.00 N ATOM 662 CA GLN B 63 21.225 -13.330 -6.051 1.00 0.00 C ATOM 663 C GLN B 63 21.134 -14.839 -5.849 1.00 0.00 C ATOM 664 O GLN B 63 21.094 -15.323 -4.718 1.00 0.00 O ATOM 665 CB GLN B 63 22.691 -12.905 -6.156 1.00 0.00 C ATOM 666 CG GLN B 63 23.517 -13.793 -7.073 1.00 0.00 C ATOM 667 CD GLN B 63 23.035 -13.759 -8.509 1.00 0.00 C ATOM 668 OE1 GLN B 63 22.177 -12.953 -8.869 1.00 0.00 O ATOM 669 NE2 GLN B 63 23.585 -14.637 -9.340 1.00 0.00 N ATOM 0 H GLN B 63 19.770 -12.052 -5.247 1.00 0.00 H new ATOM 0 HA GLN B 63 20.712 -13.075 -6.978 1.00 0.00 H new ATOM 0 HB2 GLN B 63 22.738 -11.878 -6.519 1.00 0.00 H new ATOM 0 HB3 GLN B 63 23.135 -12.912 -5.161 1.00 0.00 H new ATOM 0 HG2 GLN B 63 24.559 -13.476 -7.036 1.00 0.00 H new ATOM 0 HG3 GLN B 63 23.482 -14.819 -6.707 1.00 0.00 H new ATOM 0 HE21 GLN B 63 24.293 -15.287 -8.999 1.00 0.00 H new ATOM 0 HE22 GLN B 63 23.299 -14.661 -10.319 1.00 0.00 H new ATOM 678 N LEU B 64 21.100 -15.577 -6.953 1.00 0.00 N ATOM 679 CA LEU B 64 21.013 -17.033 -6.898 1.00 0.00 C ATOM 680 C LEU B 64 19.822 -17.475 -6.054 1.00 0.00 C ATOM 681 O LEU B 64 19.974 -17.829 -4.885 1.00 0.00 O ATOM 682 CB LEU B 64 22.305 -17.619 -6.325 1.00 0.00 C ATOM 683 CG LEU B 64 23.420 -17.898 -7.333 1.00 0.00 C ATOM 684 CD1 LEU B 64 24.728 -18.189 -6.615 1.00 0.00 C ATOM 685 CD2 LEU B 64 23.039 -19.058 -8.242 1.00 0.00 C ATOM 0 H LEU B 64 21.131 -15.192 -7.897 1.00 0.00 H new ATOM 0 HA LEU B 64 20.873 -17.403 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU B 64 22.688 -16.932 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU B 64 22.063 -18.551 -5.814 1.00 0.00 H new ATOM 0 HG LEU B 64 23.557 -17.009 -7.949 1.00 0.00 H new ATOM 0 HD11 LEU B 64 25.510 -18.385 -7.349 1.00 0.00 H new ATOM 0 HD12 LEU B 64 25.008 -17.329 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU B 64 24.605 -19.062 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU B 64 23.844 -19.243 -8.953 1.00 0.00 H new ATOM 0 HD22 LEU B 64 22.874 -19.952 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU B 64 22.126 -18.811 -8.784 1.00 0.00 H new ATOM 697 N ALA B 65 18.637 -17.455 -6.655 1.00 0.00 N ATOM 698 CA ALA B 65 17.421 -17.858 -5.960 1.00 0.00 C ATOM 699 C ALA B 65 16.296 -18.149 -6.947 1.00 0.00 C ATOM 700 O ALA B 65 15.237 -17.522 -6.900 1.00 0.00 O ATOM 701 CB ALA B 65 16.994 -16.780 -4.974 1.00 0.00 C ATOM 0 H ALA B 65 18.493 -17.164 -7.622 1.00 0.00 H new ATOM 0 HA ALA B 65 17.634 -18.775 -5.410 1.00 0.00 H new ATOM 0 HB1 ALA B 65 16.084 -17.095 -4.462 1.00 0.00 H new ATOM 0 HB2 ALA B 65 17.786 -16.622 -4.242 1.00 0.00 H new ATOM 0 HB3 ALA B 65 16.805 -15.850 -5.511 1.00 0.00 H new ATOM 707 N HIS B 66 16.531 -19.104 -7.841 1.00 0.00 N ATOM 708 CA HIS B 66 15.537 -19.479 -8.841 1.00 0.00 C ATOM 709 C HIS B 66 14.940 -18.241 -9.503 1.00 0.00 C ATOM 710 O HIS B 66 13.882 -17.757 -9.100 1.00 0.00 O ATOM 711 CB HIS B 66 14.428 -20.313 -8.199 1.00 0.00 C ATOM 712 CG HIS B 66 13.274 -20.581 -9.116 1.00 0.00 C ATOM 713 ND1 HIS B 66 13.422 -21.130 -10.372 1.00 0.00 N ATOM 714 CD2 HIS B 66 11.946 -20.374 -8.952 1.00 0.00 C ATOM 715 CE1 HIS B 66 12.236 -21.247 -10.942 1.00 0.00 C ATOM 716 NE2 HIS B 66 11.323 -20.796 -10.100 1.00 0.00 N ATOM 0 H HIS B 66 17.402 -19.633 -7.894 1.00 0.00 H new ATOM 0 HA HIS B 66 16.033 -20.075 -9.606 1.00 0.00 H new ATOM 0 HB2 HIS B 66 14.845 -21.263 -7.866 1.00 0.00 H new ATOM 0 HB3 HIS B 66 14.064 -19.796 -7.311 1.00 0.00 H new ATOM 0 HD2 HIS B 66 11.466 -19.955 -8.080 1.00 0.00 H new ATOM 0 HE1 HIS B 66 12.045 -21.644 -11.928 1.00 0.00 H new ATOM 0 HE2 HIS B 66 10.319 -20.766 -10.275 1.00 0.00 H new ATOM 724 N HIS B 67 15.626 -17.732 -10.522 1.00 0.00 N ATOM 725 CA HIS B 67 15.164 -16.550 -11.241 1.00 0.00 C ATOM 726 C HIS B 67 13.712 -16.715 -11.680 1.00 0.00 C ATOM 727 O HIS B 67 13.397 -17.563 -12.515 1.00 0.00 O ATOM 728 CB HIS B 67 16.050 -16.289 -12.459 1.00 0.00 C ATOM 729 CG HIS B 67 16.132 -14.843 -12.840 1.00 0.00 C ATOM 730 ND1 HIS B 67 17.211 -14.300 -13.507 1.00 0.00 N ATOM 731 CD2 HIS B 67 15.261 -13.825 -12.647 1.00 0.00 C ATOM 732 CE1 HIS B 67 17.000 -13.011 -13.706 1.00 0.00 C ATOM 733 NE2 HIS B 67 15.824 -12.698 -13.193 1.00 0.00 N ATOM 0 H HIS B 67 16.504 -18.120 -10.868 1.00 0.00 H new ATOM 0 HA HIS B 67 15.227 -15.697 -10.566 1.00 0.00 H new ATOM 0 HB2 HIS B 67 17.054 -16.660 -12.254 1.00 0.00 H new ATOM 0 HB3 HIS B 67 15.667 -16.858 -13.306 1.00 0.00 H new ATOM 0 HD2 HIS B 67 14.302 -13.888 -12.155 1.00 0.00 H new ATOM 0 HE1 HIS B 67 17.674 -12.330 -14.203 1.00 0.00 H new ATOM 0 HE2 HIS B 67 15.402 -11.769 -13.201 1.00 0.00 H new ATOM 741 N PHE B 68 12.831 -15.898 -11.111 1.00 0.00 N ATOM 742 CA PHE B 68 11.412 -15.955 -11.442 1.00 0.00 C ATOM 743 C PHE B 68 11.195 -15.758 -12.940 1.00 0.00 C ATOM 744 O PHE B 68 12.112 -15.377 -13.666 1.00 0.00 O ATOM 745 CB PHE B 68 10.641 -14.890 -10.660 1.00 0.00 C ATOM 746 CG PHE B 68 9.364 -15.398 -10.055 1.00 0.00 C ATOM 747 CD1 PHE B 68 9.386 -16.391 -9.089 1.00 0.00 C ATOM 748 CD2 PHE B 68 8.140 -14.882 -10.451 1.00 0.00 C ATOM 749 CE1 PHE B 68 8.212 -16.861 -8.530 1.00 0.00 C ATOM 750 CE2 PHE B 68 6.964 -15.347 -9.895 1.00 0.00 C ATOM 751 CZ PHE B 68 7.000 -16.338 -8.934 1.00 0.00 C ATOM 0 H PHE B 68 13.075 -15.189 -10.419 1.00 0.00 H new ATOM 0 HA PHE B 68 11.039 -16.941 -11.165 1.00 0.00 H new ATOM 0 HB2 PHE B 68 11.279 -14.500 -9.867 1.00 0.00 H new ATOM 0 HB3 PHE B 68 10.413 -14.057 -11.325 1.00 0.00 H new ATOM 0 HD1 PHE B 68 10.332 -16.803 -8.769 1.00 0.00 H new ATOM 0 HD2 PHE B 68 8.105 -14.107 -11.203 1.00 0.00 H new ATOM 0 HE1 PHE B 68 8.243 -17.636 -7.779 1.00 0.00 H new ATOM 0 HE2 PHE B 68 6.017 -14.936 -10.212 1.00 0.00 H new ATOM 0 HZ PHE B 68 6.081 -16.703 -8.499 1.00 0.00 H new ATOM 761 N SER B 69 9.974 -16.022 -13.394 1.00 0.00 N ATOM 762 CA SER B 69 9.636 -15.879 -14.806 1.00 0.00 C ATOM 763 C SER B 69 9.845 -14.441 -15.271 1.00 0.00 C ATOM 764 O SER B 69 9.892 -13.517 -14.461 1.00 0.00 O ATOM 765 CB SER B 69 8.186 -16.301 -15.050 1.00 0.00 C ATOM 766 OG SER B 69 7.581 -15.494 -16.046 1.00 0.00 O ATOM 0 H SER B 69 9.203 -16.336 -12.805 1.00 0.00 H new ATOM 0 HA SER B 69 10.297 -16.528 -15.381 1.00 0.00 H new ATOM 0 HB2 SER B 69 8.155 -17.347 -15.356 1.00 0.00 H new ATOM 0 HB3 SER B 69 7.620 -16.224 -14.122 1.00 0.00 H new ATOM 0 HG SER B 69 6.655 -15.785 -16.185 1.00 0.00 H new ATOM 772 N GLU B 70 9.968 -14.262 -16.583 1.00 0.00 N ATOM 773 CA GLU B 70 10.173 -12.937 -17.156 1.00 0.00 C ATOM 774 C GLU B 70 9.034 -12.574 -18.105 1.00 0.00 C ATOM 775 O GLU B 70 9.186 -12.577 -19.327 1.00 0.00 O ATOM 776 CB GLU B 70 11.509 -12.880 -17.900 1.00 0.00 C ATOM 777 CG GLU B 70 12.679 -12.475 -17.019 1.00 0.00 C ATOM 778 CD GLU B 70 13.969 -12.316 -17.799 1.00 0.00 C ATOM 779 OE1 GLU B 70 14.368 -13.278 -18.488 1.00 0.00 O ATOM 780 OE2 GLU B 70 14.580 -11.230 -17.722 1.00 0.00 O ATOM 0 H GLU B 70 9.929 -15.017 -17.268 1.00 0.00 H new ATOM 0 HA GLU B 70 10.189 -12.214 -16.340 1.00 0.00 H new ATOM 0 HB2 GLU B 70 11.715 -13.858 -18.336 1.00 0.00 H new ATOM 0 HB3 GLU B 70 11.425 -12.174 -18.726 1.00 0.00 H new ATOM 0 HG2 GLU B 70 12.444 -11.536 -16.518 1.00 0.00 H new ATOM 0 HG3 GLU B 70 12.820 -13.225 -16.241 1.00 0.00 H new ATOM 787 N PRO B 71 7.865 -12.253 -17.530 1.00 0.00 N ATOM 788 CA PRO B 71 6.678 -11.881 -18.305 1.00 0.00 C ATOM 789 C PRO B 71 6.830 -10.523 -18.982 1.00 0.00 C ATOM 790 O PRO B 71 6.291 -9.522 -18.512 1.00 0.00 O ATOM 791 CB PRO B 71 5.568 -11.833 -17.252 1.00 0.00 C ATOM 792 CG PRO B 71 6.274 -11.554 -15.971 1.00 0.00 C ATOM 793 CD PRO B 71 7.613 -12.228 -16.080 1.00 0.00 C ATOM 0 HA PRO B 71 6.484 -12.583 -19.116 1.00 0.00 H new ATOM 0 HB2 PRO B 71 4.839 -11.055 -17.480 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.024 -12.776 -17.207 1.00 0.00 H new ATOM 0 HG2 PRO B 71 6.389 -10.481 -15.814 1.00 0.00 H new ATOM 0 HG3 PRO B 71 5.710 -11.941 -15.122 1.00 0.00 H new ATOM 0 HD2 PRO B 71 8.386 -11.674 -15.547 1.00 0.00 H new ATOM 0 HD3 PRO B 71 7.593 -13.233 -15.658 1.00 0.00 H new ATOM 801 N GLU B 72 7.565 -10.498 -20.089 1.00 0.00 N ATOM 802 CA GLU B 72 7.787 -9.261 -20.830 1.00 0.00 C ATOM 803 C GLU B 72 6.539 -8.866 -21.615 1.00 0.00 C ATOM 804 O GLU B 72 6.160 -7.695 -21.650 1.00 0.00 O ATOM 805 CB GLU B 72 8.974 -9.418 -21.783 1.00 0.00 C ATOM 806 CG GLU B 72 8.818 -10.565 -22.767 1.00 0.00 C ATOM 807 CD GLU B 72 10.131 -11.265 -23.060 1.00 0.00 C ATOM 808 OE1 GLU B 72 10.764 -11.763 -22.106 1.00 0.00 O ATOM 809 OE2 GLU B 72 10.525 -11.313 -24.244 1.00 0.00 O ATOM 0 H GLU B 72 8.017 -11.319 -20.492 1.00 0.00 H new ATOM 0 HA GLU B 72 8.009 -8.472 -20.112 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.108 -8.490 -22.338 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.881 -9.573 -21.198 1.00 0.00 H new ATOM 0 HG2 GLU B 72 8.107 -11.288 -22.367 1.00 0.00 H new ATOM 0 HG3 GLU B 72 8.397 -10.185 -23.698 1.00 0.00 H new ATOM 816 N ILE B 73 5.906 -9.851 -22.243 1.00 0.00 N ATOM 817 CA ILE B 73 4.702 -9.607 -23.027 1.00 0.00 C ATOM 818 C ILE B 73 3.680 -8.804 -22.229 1.00 0.00 C ATOM 819 O ILE B 73 3.212 -7.756 -22.675 1.00 0.00 O ATOM 820 CB ILE B 73 4.054 -10.926 -23.489 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.040 -11.736 -24.333 1.00 0.00 C ATOM 822 CG2 ILE B 73 2.782 -10.644 -24.276 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.688 -13.204 -24.431 1.00 0.00 C ATOM 0 H ILE B 73 6.207 -10.825 -22.224 1.00 0.00 H new ATOM 0 HA ILE B 73 5.007 -9.035 -23.903 1.00 0.00 H new ATOM 0 HB ILE B 73 3.791 -11.512 -22.609 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.080 -11.313 -25.337 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.038 -11.638 -23.906 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.336 -11.586 -24.596 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.076 -10.103 -23.645 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.022 -10.041 -25.151 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.430 -13.716 -25.044 1.00 0.00 H new ATOM 0 HD12 ILE B 73 4.676 -13.643 -23.433 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.704 -13.313 -24.887 1.00 0.00 H new ATOM 835 N THR B 74 3.339 -9.302 -21.044 1.00 0.00 N ATOM 836 CA THR B 74 2.373 -8.631 -20.183 1.00 0.00 C ATOM 837 C THR B 74 2.709 -7.152 -20.028 1.00 0.00 C ATOM 838 O THR B 74 1.837 -6.291 -20.151 1.00 0.00 O ATOM 839 CB THR B 74 2.318 -9.282 -18.788 1.00 0.00 C ATOM 840 OG1 THR B 74 2.029 -10.679 -18.910 1.00 0.00 O ATOM 841 CG2 THR B 74 1.261 -8.614 -17.921 1.00 0.00 C ATOM 0 H THR B 74 3.718 -10.167 -20.659 1.00 0.00 H new ATOM 0 HA THR B 74 1.399 -8.731 -20.662 1.00 0.00 H new ATOM 0 HB THR B 74 3.290 -9.153 -18.312 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.998 -11.086 -18.019 1.00 0.00 H new ATOM 0 HG21 THR B 74 1.240 -9.090 -16.941 1.00 0.00 H new ATOM 0 HG22 THR B 74 1.500 -7.557 -17.806 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.285 -8.716 -18.395 1.00 0.00 H new ATOM 849 N LEU B 75 3.977 -6.863 -19.760 1.00 0.00 N ATOM 850 CA LEU B 75 4.429 -5.486 -19.589 1.00 0.00 C ATOM 851 C LEU B 75 4.089 -4.646 -20.816 1.00 0.00 C ATOM 852 O LEU B 75 3.526 -3.557 -20.699 1.00 0.00 O ATOM 853 CB LEU B 75 5.937 -5.451 -19.334 1.00 0.00 C ATOM 854 CG LEU B 75 6.405 -6.027 -17.997 1.00 0.00 C ATOM 855 CD1 LEU B 75 7.921 -5.979 -17.897 1.00 0.00 C ATOM 856 CD2 LEU B 75 5.767 -5.274 -16.839 1.00 0.00 C ATOM 0 H LEU B 75 4.711 -7.563 -19.656 1.00 0.00 H new ATOM 0 HA LEU B 75 3.912 -5.064 -18.727 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.434 -5.997 -20.136 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.272 -4.416 -19.398 1.00 0.00 H new ATOM 0 HG LEU B 75 6.091 -7.069 -17.942 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.236 -6.393 -16.939 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.358 -6.564 -18.706 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.258 -4.945 -17.974 1.00 0.00 H new ATOM 0 HD21 LEU B 75 6.112 -5.698 -15.896 1.00 0.00 H new ATOM 0 HD22 LEU B 75 6.049 -4.222 -16.889 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.682 -5.362 -16.901 1.00 0.00 H new ATOM 868 N ILE B 76 4.434 -5.160 -21.992 1.00 0.00 N ATOM 869 CA ILE B 76 4.162 -4.458 -23.241 1.00 0.00 C ATOM 870 C ILE B 76 2.679 -4.131 -23.376 1.00 0.00 C ATOM 871 O ILE B 76 2.310 -3.008 -23.721 1.00 0.00 O ATOM 872 CB ILE B 76 4.608 -5.286 -24.460 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.076 -5.694 -24.319 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.392 -4.498 -25.743 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.032 -4.521 -24.328 1.00 0.00 C ATOM 0 H ILE B 76 4.902 -6.059 -22.106 1.00 0.00 H new ATOM 0 HA ILE B 76 4.734 -3.531 -23.214 1.00 0.00 H new ATOM 0 HB ILE B 76 4.003 -6.191 -24.506 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.203 -6.249 -23.389 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.336 -6.371 -25.133 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.712 -5.097 -26.596 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.335 -4.255 -25.847 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.974 -3.577 -25.707 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.054 -4.884 -24.224 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.933 -3.978 -25.268 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.798 -3.854 -23.498 1.00 0.00 H new ATOM 887 N ILE B 77 1.834 -5.119 -23.101 1.00 0.00 N ATOM 888 CA ILE B 77 0.390 -4.935 -23.190 1.00 0.00 C ATOM 889 C ILE B 77 -0.093 -3.892 -22.188 1.00 0.00 C ATOM 890 O ILE B 77 -0.824 -2.967 -22.542 1.00 0.00 O ATOM 891 CB ILE B 77 -0.362 -6.256 -22.942 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.129 -7.336 -23.909 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.861 -6.047 -23.090 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.665 -8.621 -23.833 1.00 0.00 C ATOM 0 H ILE B 77 2.124 -6.054 -22.815 1.00 0.00 H new ATOM 0 HA ILE B 77 0.177 -4.590 -24.202 1.00 0.00 H new ATOM 0 HB ILE B 77 -0.160 -6.587 -21.923 1.00 0.00 H new ATOM 0 HG12 ILE B 77 0.082 -6.949 -24.927 1.00 0.00 H new ATOM 0 HG13 ILE B 77 1.176 -7.552 -23.698 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.379 -6.989 -22.912 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -2.198 -5.305 -22.366 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.082 -5.697 -24.098 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.262 -9.341 -24.545 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.598 -9.031 -22.825 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -1.709 -8.419 -24.074 1.00 0.00 H new ATOM 906 N PHE B 78 0.320 -4.048 -20.934 1.00 0.00 N ATOM 907 CA PHE B 78 -0.070 -3.119 -19.880 1.00 0.00 C ATOM 908 C PHE B 78 0.277 -1.684 -20.263 1.00 0.00 C ATOM 909 O PHE B 78 -0.541 -0.776 -20.121 1.00 0.00 O ATOM 910 CB PHE B 78 0.619 -3.489 -18.565 1.00 0.00 C ATOM 911 CG PHE B 78 0.488 -2.435 -17.503 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.589 -2.441 -16.631 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.442 -1.438 -17.376 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.712 -1.472 -15.652 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.325 -0.468 -16.399 1.00 0.00 C ATOM 916 CZ PHE B 78 0.246 -0.484 -15.537 1.00 0.00 C ATOM 0 H PHE B 78 0.924 -4.809 -20.623 1.00 0.00 H new ATOM 0 HA PHE B 78 -1.150 -3.190 -19.749 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.197 -4.423 -18.193 1.00 0.00 H new ATOM 0 HB3 PHE B 78 1.676 -3.671 -18.757 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -1.341 -3.211 -16.717 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.287 -1.419 -18.049 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.556 -1.488 -14.978 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.077 0.302 -16.309 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.152 0.275 -14.774 1.00 0.00 H new ATOM 926 N GLY B 79 1.499 -1.486 -20.749 1.00 0.00 N ATOM 927 CA GLY B 79 1.935 -0.160 -21.144 1.00 0.00 C ATOM 928 C GLY B 79 1.031 0.460 -22.191 1.00 0.00 C ATOM 929 O GLY B 79 0.535 1.573 -22.015 1.00 0.00 O ATOM 0 H GLY B 79 2.195 -2.221 -20.876 1.00 0.00 H new ATOM 0 HA2 GLY B 79 1.965 0.486 -20.266 1.00 0.00 H new ATOM 0 HA3 GLY B 79 2.952 -0.216 -21.533 1.00 0.00 H new ATOM 933 N VAL B 80 0.815 -0.262 -23.287 1.00 0.00 N ATOM 934 CA VAL B 80 -0.035 0.223 -24.367 1.00 0.00 C ATOM 935 C VAL B 80 -1.470 0.422 -23.890 1.00 0.00 C ATOM 936 O VAL B 80 -2.162 1.335 -24.338 1.00 0.00 O ATOM 937 CB VAL B 80 -0.033 -0.748 -25.562 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.859 -0.185 -26.709 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.392 -1.036 -26.011 1.00 0.00 C ATOM 0 H VAL B 80 1.218 -1.185 -23.450 1.00 0.00 H new ATOM 0 HA VAL B 80 0.375 1.181 -24.686 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.487 -1.687 -25.246 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -0.846 -0.885 -27.545 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.886 -0.034 -26.378 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.437 0.768 -27.028 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.375 -1.724 -26.856 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.874 -0.105 -26.310 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.949 -1.485 -25.189 1.00 0.00 H new ATOM 949 N MET B 81 -1.909 -0.440 -22.979 1.00 0.00 N ATOM 950 CA MET B 81 -3.262 -0.358 -22.440 1.00 0.00 C ATOM 951 C MET B 81 -3.448 0.923 -21.631 1.00 0.00 C ATOM 952 O MET B 81 -4.442 1.630 -21.791 1.00 0.00 O ATOM 953 CB MET B 81 -3.559 -1.576 -21.563 1.00 0.00 C ATOM 954 CG MET B 81 -3.881 -2.831 -22.357 1.00 0.00 C ATOM 955 SD MET B 81 -4.136 -4.273 -21.304 1.00 0.00 S ATOM 956 CE MET B 81 -5.775 -3.939 -20.664 1.00 0.00 C ATOM 0 H MET B 81 -1.349 -1.203 -22.599 1.00 0.00 H new ATOM 0 HA MET B 81 -3.960 -0.343 -23.277 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.699 -1.771 -20.923 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.398 -1.345 -20.907 1.00 0.00 H new ATOM 0 HG2 MET B 81 -4.777 -2.659 -22.954 1.00 0.00 H new ATOM 0 HG3 MET B 81 -3.068 -3.034 -23.054 1.00 0.00 H new ATOM 0 HE1 MET B 81 -6.111 -4.785 -20.065 1.00 0.00 H new ATOM 0 HE2 MET B 81 -5.748 -3.043 -20.044 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.465 -3.785 -21.494 1.00 0.00 H new ATOM 966 N ALA B 82 -2.485 1.214 -20.763 1.00 0.00 N ATOM 967 CA ALA B 82 -2.542 2.410 -19.931 1.00 0.00 C ATOM 968 C ALA B 82 -2.440 3.673 -20.779 1.00 0.00 C ATOM 969 O ALA B 82 -3.192 4.627 -20.582 1.00 0.00 O ATOM 970 CB ALA B 82 -1.435 2.381 -18.888 1.00 0.00 C ATOM 0 H ALA B 82 -1.656 0.638 -20.617 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.505 2.423 -19.421 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.490 3.280 -18.274 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.554 1.502 -18.255 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.466 2.341 -19.386 1.00 0.00 H new ATOM 976 N GLY B 83 -1.503 3.674 -21.722 1.00 0.00 N ATOM 977 CA GLY B 83 -1.320 4.826 -22.585 1.00 0.00 C ATOM 978 C GLY B 83 -2.540 5.113 -23.437 1.00 0.00 C ATOM 979 O GLY B 83 -3.038 6.239 -23.462 1.00 0.00 O ATOM 0 H GLY B 83 -0.867 2.897 -21.904 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.093 5.700 -21.975 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.460 4.657 -23.233 1.00 0.00 H new ATOM 983 N VAL B 84 -3.023 4.093 -24.138 1.00 0.00 N ATOM 984 CA VAL B 84 -4.193 4.240 -24.996 1.00 0.00 C ATOM 985 C VAL B 84 -5.369 4.829 -24.225 1.00 0.00 C ATOM 986 O VAL B 84 -5.904 5.875 -24.594 1.00 0.00 O ATOM 987 CB VAL B 84 -4.617 2.891 -25.605 1.00 0.00 C ATOM 988 CG1 VAL B 84 -5.980 3.008 -26.268 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.572 2.403 -26.598 1.00 0.00 C ATOM 0 H VAL B 84 -2.622 3.155 -24.129 1.00 0.00 H new ATOM 0 HA VAL B 84 -3.912 4.920 -25.800 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.693 2.158 -24.802 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.262 2.044 -26.692 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.720 3.309 -25.527 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -5.936 3.755 -27.061 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.888 1.448 -27.019 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.462 3.134 -27.399 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.617 2.277 -26.088 1.00 0.00 H new ATOM 999 N ILE B 85 -5.766 4.151 -23.154 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.878 4.608 -22.330 1.00 0.00 C ATOM 1001 C ILE B 85 -6.648 6.033 -21.838 1.00 0.00 C ATOM 1002 O ILE B 85 -7.566 6.852 -21.824 1.00 0.00 O ATOM 1003 CB ILE B 85 -7.094 3.686 -21.115 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.441 2.270 -21.577 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -8.192 4.240 -20.219 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.763 2.179 -22.306 1.00 0.00 C ATOM 0 H ILE B 85 -5.334 3.283 -22.836 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.768 4.582 -22.958 1.00 0.00 H new ATOM 0 HB ILE B 85 -6.169 3.644 -20.540 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.649 1.906 -22.231 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.467 1.610 -20.710 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.333 3.578 -19.365 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.908 5.232 -19.866 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -9.122 4.308 -20.783 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.944 1.146 -22.604 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.565 2.512 -21.648 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.734 2.813 -23.192 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.414 6.323 -21.436 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.085 7.651 -20.951 1.00 0.00 C ATOM 1020 C GLY B 86 -5.363 8.729 -21.979 1.00 0.00 C ATOM 1021 O GLY B 86 -6.046 9.713 -21.691 1.00 0.00 O ATOM 0 H GLY B 86 -4.637 5.662 -21.438 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.660 7.857 -20.048 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -4.032 7.682 -20.672 1.00 0.00 H new ATOM 1025 N THR B 87 -4.831 8.547 -23.184 1.00 0.00 N ATOM 1026 CA THR B 87 -5.022 9.514 -24.258 1.00 0.00 C ATOM 1027 C THR B 87 -6.504 9.739 -24.538 1.00 0.00 C ATOM 1028 O THR B 87 -6.947 10.875 -24.710 1.00 0.00 O ATOM 1029 CB THR B 87 -4.330 9.056 -25.556 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.080 8.428 -25.249 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.096 10.235 -26.489 1.00 0.00 C ATOM 0 H THR B 87 -4.264 7.739 -23.440 1.00 0.00 H new ATOM 0 HA THR B 87 -4.572 10.449 -23.925 1.00 0.00 H new ATOM 0 HB THR B 87 -4.982 8.341 -26.057 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.656 8.893 -24.498 1.00 0.00 H new ATOM 0 HG21 THR B 87 -3.606 9.887 -27.399 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.052 10.693 -26.744 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.462 10.970 -25.994 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.264 8.650 -24.581 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.697 8.730 -24.838 1.00 0.00 C ATOM 1041 C ILE B 88 -9.382 9.665 -23.848 1.00 0.00 C ATOM 1042 O ILE B 88 -10.119 10.571 -24.239 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.361 7.343 -24.761 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -8.738 6.397 -25.790 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -10.861 7.461 -24.983 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -8.908 4.934 -25.446 1.00 0.00 C ATOM 0 H ILE B 88 -6.912 7.703 -24.441 1.00 0.00 H new ATOM 0 HA ILE B 88 -8.815 9.125 -25.847 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.192 6.930 -23.766 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -9.187 6.587 -26.765 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -7.675 6.620 -25.880 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.316 6.472 -24.926 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.293 8.104 -24.216 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.051 7.891 -25.966 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -8.442 4.322 -26.219 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -8.434 4.729 -24.486 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.970 4.696 -25.385 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.133 9.441 -22.562 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.724 10.265 -21.513 1.00 0.00 C ATOM 1060 C LEU B 89 -9.380 11.737 -21.718 1.00 0.00 C ATOM 1061 O LEU B 89 -10.264 12.593 -21.756 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.238 9.802 -20.139 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.866 8.515 -19.603 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -8.923 7.826 -18.629 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.202 8.811 -18.936 1.00 0.00 C ATOM 0 H LEU B 89 -8.526 8.696 -22.221 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.807 10.154 -21.565 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.158 9.663 -20.186 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.426 10.601 -19.421 1.00 0.00 H new ATOM 0 HG LEU B 89 -10.043 7.843 -20.443 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.387 6.912 -18.258 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.991 7.579 -19.138 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -8.714 8.492 -17.792 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.635 7.884 -18.560 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.050 9.502 -18.107 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.880 9.259 -19.662 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.089 12.024 -21.851 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.627 13.393 -22.055 1.00 0.00 C ATOM 1079 C LEU B 90 -8.268 14.005 -23.296 1.00 0.00 C ATOM 1080 O LEU B 90 -8.810 15.109 -23.246 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.103 13.423 -22.186 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.314 13.073 -20.924 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -3.977 12.447 -21.287 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.109 14.310 -20.062 1.00 0.00 C ATOM 0 H LEU B 90 -7.344 11.328 -21.821 1.00 0.00 H new ATOM 0 HA LEU B 90 -7.923 13.983 -21.188 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -5.813 12.730 -22.976 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -5.806 14.420 -22.511 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.889 12.346 -20.350 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.429 12.205 -20.376 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.146 11.537 -21.862 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.396 13.150 -21.883 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.546 14.041 -19.168 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.556 15.060 -20.628 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.078 14.716 -19.772 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.204 13.279 -24.407 1.00 0.00 N ATOM 1097 CA ILE B 91 -8.781 13.750 -25.661 1.00 0.00 C ATOM 1098 C ILE B 91 -10.252 14.112 -25.487 1.00 0.00 C ATOM 1099 O ILE B 91 -10.693 15.181 -25.909 1.00 0.00 O ATOM 1100 CB ILE B 91 -8.652 12.692 -26.772 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.180 12.467 -27.124 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.437 13.119 -28.003 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -6.905 11.110 -27.734 1.00 0.00 C ATOM 0 H ILE B 91 -7.759 12.363 -24.465 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.222 14.640 -25.951 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.067 11.752 -26.408 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -6.859 13.241 -27.821 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.578 12.580 -26.222 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.336 12.361 -28.780 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -10.489 13.233 -27.742 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.049 14.069 -28.371 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -5.842 11.020 -27.958 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.195 10.329 -27.031 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.480 11.001 -28.654 1.00 0.00 H new ATOM 1115 N SER B 92 -11.007 13.214 -24.861 1.00 0.00 N ATOM 1116 CA SER B 92 -12.429 13.437 -24.632 1.00 0.00 C ATOM 1117 C SER B 92 -12.661 14.754 -23.896 1.00 0.00 C ATOM 1118 O SER B 92 -13.715 15.376 -24.030 1.00 0.00 O ATOM 1119 CB SER B 92 -13.027 12.279 -23.830 1.00 0.00 C ATOM 1120 OG SER B 92 -13.510 11.261 -24.689 1.00 0.00 O ATOM 0 H SER B 92 -10.657 12.325 -24.504 1.00 0.00 H new ATOM 0 HA SER B 92 -12.923 13.491 -25.602 1.00 0.00 H new ATOM 0 HB2 SER B 92 -12.271 11.867 -23.161 1.00 0.00 H new ATOM 0 HB3 SER B 92 -13.840 12.647 -23.204 1.00 0.00 H new ATOM 0 HG SER B 92 -13.886 10.532 -24.153 1.00 0.00 H new ATOM 1126 N TYR B 93 -11.669 15.171 -23.118 1.00 0.00 N ATOM 1127 CA TYR B 93 -11.765 16.412 -22.357 1.00 0.00 C ATOM 1128 C TYR B 93 -11.670 17.624 -23.279 1.00 0.00 C ATOM 1129 O TYR B 93 -12.345 18.631 -23.070 1.00 0.00 O ATOM 1130 CB TYR B 93 -10.661 16.473 -21.300 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.176 16.721 -19.901 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.129 15.886 -19.331 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -10.708 17.791 -19.147 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.603 16.110 -18.053 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.175 18.022 -17.868 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.123 17.179 -17.325 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.591 17.404 -16.051 1.00 0.00 O ATOM 0 H TYR B 93 -10.789 14.669 -22.997 1.00 0.00 H new ATOM 0 HA TYR B 93 -12.735 16.431 -21.861 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.105 15.535 -21.313 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -9.959 17.263 -21.565 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.506 15.047 -19.897 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -9.966 18.453 -19.569 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.345 15.452 -17.626 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -10.800 18.858 -17.296 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.151 18.195 -15.676 1.00 0.00 H new ATOM 1147 N GLY B 94 -10.825 17.518 -24.300 1.00 0.00 N ATOM 1148 CA GLY B 94 -10.656 18.612 -25.240 1.00 0.00 C ATOM 1149 C GLY B 94 -11.926 18.916 -26.009 1.00 0.00 C ATOM 1150 O GLY B 94 -12.276 20.081 -26.205 1.00 0.00 O ATOM 0 H GLY B 94 -10.255 16.695 -24.493 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -10.339 19.505 -24.701 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -9.860 18.364 -25.942 1.00 0.00 H new ATOM 1154 N ILE B 95 -12.617 17.869 -26.446 1.00 0.00 N ATOM 1155 CA ILE B 95 -13.855 18.031 -27.198 1.00 0.00 C ATOM 1156 C ILE B 95 -14.944 18.659 -26.336 1.00 0.00 C ATOM 1157 O ILE B 95 -15.731 19.478 -26.811 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.362 16.684 -27.745 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.313 16.054 -28.663 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -15.677 16.874 -28.487 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -12.744 14.757 -28.131 1.00 0.00 C ATOM 0 H ILE B 95 -12.341 16.899 -26.292 1.00 0.00 H new ATOM 0 HA ILE B 95 -13.631 18.692 -28.035 1.00 0.00 H new ATOM 0 HB ILE B 95 -14.535 16.010 -26.906 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.760 15.871 -29.640 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.499 16.764 -28.812 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.022 15.913 -28.868 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -16.423 17.284 -27.806 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -15.529 17.562 -29.320 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -12.007 14.368 -28.833 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -12.267 14.937 -27.167 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -13.547 14.031 -28.008 1.00 0.00 H new ATOM 1173 N ARG B 96 -14.983 18.271 -25.065 1.00 0.00 N ATOM 1174 CA ARG B 96 -15.975 18.797 -24.136 1.00 0.00 C ATOM 1175 C ARG B 96 -15.629 20.224 -23.721 1.00 0.00 C ATOM 1176 O ARG B 96 -16.512 21.072 -23.582 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.069 17.904 -22.897 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.478 17.415 -22.604 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.216 18.368 -21.678 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.399 17.749 -21.085 1.00 0.00 N ATOM 1181 CZ ARG B 96 -19.345 16.813 -20.144 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -18.172 16.391 -19.691 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -20.465 16.298 -19.654 1.00 0.00 N ATOM 0 H ARG B 96 -14.339 17.594 -24.656 1.00 0.00 H new ATOM 0 HA ARG B 96 -16.940 18.808 -24.643 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -15.415 17.042 -23.030 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.698 18.455 -22.033 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.030 17.312 -23.538 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -17.434 16.425 -22.149 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.544 18.697 -20.886 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -18.512 19.257 -22.234 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.317 18.052 -21.411 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -17.309 16.785 -20.065 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -18.133 15.672 -18.968 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -21.369 16.621 -20.000 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -20.422 15.579 -18.931 1.00 0.00 H new ATOM 1197 N ARG B 97 -14.341 20.482 -23.525 1.00 0.00 N ATOM 1198 CA ARG B 97 -13.879 21.806 -23.124 1.00 0.00 C ATOM 1199 C ARG B 97 -14.143 22.049 -21.641 1.00 0.00 C ATOM 1200 O ARG B 97 -13.282 22.556 -20.921 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.570 22.885 -23.960 1.00 0.00 C ATOM 1202 CG ARG B 97 -13.673 24.066 -24.291 1.00 0.00 C ATOM 1203 CD ARG B 97 -14.480 25.255 -24.791 1.00 0.00 C ATOM 1204 NE ARG B 97 -15.158 24.966 -26.051 1.00 0.00 N ATOM 1205 CZ ARG B 97 -15.875 25.860 -26.722 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -16.006 27.094 -26.256 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -16.463 25.521 -27.862 1.00 0.00 N ATOM 0 H ARG B 97 -13.598 19.792 -23.637 1.00 0.00 H new ATOM 0 HA ARG B 97 -12.804 21.855 -23.296 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -14.928 22.440 -24.888 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -15.446 23.245 -23.421 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.108 24.355 -23.405 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -12.948 23.772 -25.050 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -15.217 25.535 -24.039 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -13.819 26.112 -24.923 1.00 0.00 H new ATOM 0 HE ARG B 97 -15.077 24.026 -26.437 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -15.556 27.359 -25.380 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -16.557 27.779 -26.773 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -16.365 24.573 -28.224 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -17.013 26.209 -28.376 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.339 21.684 -21.191 1.00 0.00 N ATOM 1222 CA LEU B 98 -15.717 21.862 -19.794 1.00 0.00 C ATOM 1223 C LEU B 98 -15.447 23.291 -19.335 1.00 0.00 C ATOM 1224 O LEU B 98 -15.545 24.235 -20.119 1.00 0.00 O ATOM 1225 CB LEU B 98 -14.953 20.876 -18.908 1.00 0.00 C ATOM 1226 CG LEU B 98 -15.297 20.907 -17.419 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -16.592 20.155 -17.155 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -14.159 20.318 -16.597 1.00 0.00 C ATOM 0 H LEU B 98 -16.063 21.263 -21.773 1.00 0.00 H new ATOM 0 HA LEU B 98 -16.786 21.667 -19.705 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -15.133 19.868 -19.281 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -13.886 21.071 -19.018 1.00 0.00 H new ATOM 0 HG LEU B 98 -15.436 21.946 -17.119 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -16.821 20.188 -16.090 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -17.403 20.620 -17.715 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -16.481 19.118 -17.471 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -14.421 20.348 -15.539 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -13.989 19.285 -16.899 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -13.252 20.899 -16.763 1.00 0.00 H new TER 1240 LEU B 98