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= 0 X(o=0,f=-0.17) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.291 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 72:sc= -0.4 USER MOD Single : A 92 SER OG : rot 75:sc= 0.889 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.16) USER MOD Single : B 67 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : B 69 SER OG : rot 180:sc= 0.00255 USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 81 MET CE :methyl 160:sc= -0.167 (180deg=-0.81) USER MOD Single : B 87 THR OG1 : rot -47:sc= -1.1 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 61 19.303 12.008 -25.857 1.00 0.00 N ATOM 2 CA ARG A 61 18.294 11.001 -25.549 1.00 0.00 C ATOM 3 C ARG A 61 18.869 9.595 -25.691 1.00 0.00 C ATOM 4 O ARG A 61 20.005 9.418 -26.131 1.00 0.00 O ATOM 5 CB ARG A 61 17.083 11.164 -26.469 1.00 0.00 C ATOM 6 CG ARG A 61 16.025 12.108 -25.922 1.00 0.00 C ATOM 7 CD ARG A 61 16.300 13.548 -26.327 1.00 0.00 C ATOM 8 NE ARG A 61 16.182 13.743 -27.770 1.00 0.00 N ATOM 9 CZ ARG A 61 15.021 13.880 -28.400 1.00 0.00 C ATOM 10 NH1 ARG A 61 13.884 13.844 -27.718 1.00 0.00 N ATOM 11 NH2 ARG A 61 14.994 14.054 -29.715 1.00 0.00 N ATOM 0 HA ARG A 61 17.978 11.143 -24.516 1.00 0.00 H new ATOM 0 HB2 ARG A 61 17.420 11.532 -27.438 1.00 0.00 H new ATOM 0 HB3 ARG A 61 16.632 10.186 -26.639 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.043 11.807 -26.288 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.997 12.034 -24.835 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.601 14.209 -25.814 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.302 13.830 -26.004 1.00 0.00 H new ATOM 0 HE ARG A 61 17.038 13.776 -28.324 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.900 13.711 -26.707 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.994 13.950 -28.205 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.866 14.083 -30.244 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.101 14.159 -30.197 1.00 0.00 H new ATOM 25 N VAL A 62 18.076 8.596 -25.314 1.00 0.00 N ATOM 26 CA VAL A 62 18.505 7.205 -25.400 1.00 0.00 C ATOM 27 C VAL A 62 19.692 6.939 -24.481 1.00 0.00 C ATOM 28 O VAL A 62 20.424 7.858 -24.116 1.00 0.00 O ATOM 29 CB VAL A 62 18.890 6.824 -26.841 1.00 0.00 C ATOM 30 CG1 VAL A 62 20.395 6.639 -26.961 1.00 0.00 C ATOM 31 CG2 VAL A 62 18.153 5.566 -27.274 1.00 0.00 C ATOM 0 H VAL A 62 17.133 8.725 -24.946 1.00 0.00 H new ATOM 0 HA VAL A 62 17.660 6.593 -25.084 1.00 0.00 H new ATOM 0 HB VAL A 62 18.595 7.637 -27.505 1.00 0.00 H new ATOM 0 HG11 VAL A 62 20.648 6.370 -27.987 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.898 7.569 -26.695 1.00 0.00 H new ATOM 0 HG13 VAL A 62 20.719 5.846 -26.287 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.437 5.311 -28.295 1.00 0.00 H new ATOM 0 HG22 VAL A 62 18.415 4.744 -26.608 1.00 0.00 H new ATOM 0 HG23 VAL A 62 17.078 5.741 -27.229 1.00 0.00 H new ATOM 41 N GLN A 63 19.876 5.676 -24.112 1.00 0.00 N ATOM 42 CA GLN A 63 20.975 5.288 -23.236 1.00 0.00 C ATOM 43 C GLN A 63 20.843 5.953 -21.870 1.00 0.00 C ATOM 44 O GLN A 63 20.323 7.064 -21.756 1.00 0.00 O ATOM 45 CB GLN A 63 22.316 5.661 -23.870 1.00 0.00 C ATOM 46 CG GLN A 63 23.480 5.635 -22.892 1.00 0.00 C ATOM 47 CD GLN A 63 24.824 5.778 -23.579 1.00 0.00 C ATOM 48 OE1 GLN A 63 24.962 6.526 -24.548 1.00 0.00 O ATOM 49 NE2 GLN A 63 25.823 5.061 -23.080 1.00 0.00 N ATOM 0 H GLN A 63 19.278 4.904 -24.406 1.00 0.00 H new ATOM 0 HA GLN A 63 20.933 4.207 -23.099 1.00 0.00 H new ATOM 0 HB2 GLN A 63 22.525 4.973 -24.689 1.00 0.00 H new ATOM 0 HB3 GLN A 63 22.239 6.658 -24.303 1.00 0.00 H new ATOM 0 HG2 GLN A 63 23.359 6.441 -22.168 1.00 0.00 H new ATOM 0 HG3 GLN A 63 23.460 4.699 -22.334 1.00 0.00 H new ATOM 0 HE21 GLN A 63 25.663 4.454 -22.276 1.00 0.00 H new ATOM 0 HE22 GLN A 63 26.751 5.117 -23.501 1.00 0.00 H new ATOM 58 N LEU A 64 21.315 5.267 -20.835 1.00 0.00 N ATOM 59 CA LEU A 64 21.249 5.791 -19.475 1.00 0.00 C ATOM 60 C LEU A 64 22.289 5.122 -18.583 1.00 0.00 C ATOM 61 O LEU A 64 22.009 4.781 -17.434 1.00 0.00 O ATOM 62 CB LEU A 64 19.850 5.580 -18.894 1.00 0.00 C ATOM 63 CG LEU A 64 19.181 4.245 -19.221 1.00 0.00 C ATOM 64 CD1 LEU A 64 19.889 3.104 -18.506 1.00 0.00 C ATOM 65 CD2 LEU A 64 17.707 4.280 -18.845 1.00 0.00 C ATOM 0 H LEU A 64 21.748 4.346 -20.911 1.00 0.00 H new ATOM 0 HA LEU A 64 21.463 6.859 -19.512 1.00 0.00 H new ATOM 0 HB2 LEU A 64 19.910 5.677 -17.810 1.00 0.00 H new ATOM 0 HB3 LEU A 64 19.205 6.383 -19.251 1.00 0.00 H new ATOM 0 HG LEU A 64 19.257 4.076 -20.295 1.00 0.00 H new ATOM 0 HD11 LEU A 64 19.399 2.162 -18.751 1.00 0.00 H new ATOM 0 HD12 LEU A 64 20.930 3.065 -18.825 1.00 0.00 H new ATOM 0 HD13 LEU A 64 19.846 3.267 -17.429 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.247 3.321 -19.085 1.00 0.00 H new ATOM 0 HD22 LEU A 64 17.609 4.472 -17.777 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.208 5.072 -19.404 1.00 0.00 H new ATOM 77 N ALA A 65 23.492 4.940 -19.119 1.00 0.00 N ATOM 78 CA ALA A 65 24.575 4.316 -18.369 1.00 0.00 C ATOM 79 C ALA A 65 24.333 2.820 -18.196 1.00 0.00 C ATOM 80 O ALA A 65 23.544 2.403 -17.347 1.00 0.00 O ATOM 81 CB ALA A 65 24.734 4.987 -17.013 1.00 0.00 C ATOM 0 H ALA A 65 23.741 5.216 -20.069 1.00 0.00 H new ATOM 0 HA ALA A 65 25.497 4.445 -18.936 1.00 0.00 H new ATOM 0 HB1 ALA A 65 25.546 4.510 -16.464 1.00 0.00 H new ATOM 0 HB2 ALA A 65 24.962 6.043 -17.154 1.00 0.00 H new ATOM 0 HB3 ALA A 65 23.807 4.889 -16.447 1.00 0.00 H new ATOM 87 N HIS A 66 25.015 2.017 -19.006 1.00 0.00 N ATOM 88 CA HIS A 66 24.873 0.567 -18.942 1.00 0.00 C ATOM 89 C HIS A 66 25.463 0.020 -17.646 1.00 0.00 C ATOM 90 O HIS A 66 26.677 0.053 -17.442 1.00 0.00 O ATOM 91 CB HIS A 66 25.557 -0.087 -20.143 1.00 0.00 C ATOM 92 CG HIS A 66 24.694 -1.083 -20.855 1.00 0.00 C ATOM 93 ND1 HIS A 66 24.133 -2.176 -20.229 1.00 0.00 N ATOM 94 CD2 HIS A 66 24.296 -1.145 -22.147 1.00 0.00 C ATOM 95 CE1 HIS A 66 23.428 -2.869 -21.106 1.00 0.00 C ATOM 96 NE2 HIS A 66 23.510 -2.264 -22.277 1.00 0.00 N ATOM 0 H HIS A 66 25.671 2.346 -19.714 1.00 0.00 H new ATOM 0 HA HIS A 66 23.809 0.330 -18.965 1.00 0.00 H new ATOM 0 HB2 HIS A 66 25.858 0.689 -20.847 1.00 0.00 H new ATOM 0 HB3 HIS A 66 26.468 -0.583 -19.807 1.00 0.00 H new ATOM 0 HD2 HIS A 66 24.549 -0.445 -22.930 1.00 0.00 H new ATOM 0 HE1 HIS A 66 22.878 -3.776 -20.900 1.00 0.00 H new ATOM 0 HE2 HIS A 66 23.062 -2.577 -23.138 1.00 0.00 H new ATOM 104 N HIS A 67 24.595 -0.481 -16.772 1.00 0.00 N ATOM 105 CA HIS A 67 25.031 -1.035 -15.495 1.00 0.00 C ATOM 106 C HIS A 67 23.840 -1.550 -14.692 1.00 0.00 C ATOM 107 O HIS A 67 23.943 -2.550 -13.981 1.00 0.00 O ATOM 108 CB HIS A 67 25.786 0.021 -14.688 1.00 0.00 C ATOM 109 CG HIS A 67 27.067 -0.480 -14.096 1.00 0.00 C ATOM 110 ND1 HIS A 67 28.274 0.169 -14.252 1.00 0.00 N ATOM 111 CD2 HIS A 67 27.326 -1.575 -13.343 1.00 0.00 C ATOM 112 CE1 HIS A 67 29.219 -0.505 -13.622 1.00 0.00 C ATOM 113 NE2 HIS A 67 28.670 -1.567 -13.061 1.00 0.00 N ATOM 0 H HIS A 67 23.587 -0.515 -16.925 1.00 0.00 H new ATOM 0 HA HIS A 67 25.699 -1.872 -15.699 1.00 0.00 H new ATOM 0 HB2 HIS A 67 26.002 0.873 -15.333 1.00 0.00 H new ATOM 0 HB3 HIS A 67 25.142 0.383 -13.886 1.00 0.00 H new ATOM 0 HD2 HIS A 67 26.609 -2.317 -13.024 1.00 0.00 H new ATOM 0 HE1 HIS A 67 30.263 -0.234 -13.574 1.00 0.00 H new ATOM 0 HE2 HIS A 67 29.164 -2.268 -12.508 1.00 0.00 H new ATOM 121 N PHE A 68 22.710 -0.860 -14.810 1.00 0.00 N ATOM 122 CA PHE A 68 21.500 -1.247 -14.094 1.00 0.00 C ATOM 123 C PHE A 68 21.137 -2.700 -14.385 1.00 0.00 C ATOM 124 O PHE A 68 21.742 -3.343 -15.242 1.00 0.00 O ATOM 125 CB PHE A 68 20.338 -0.331 -14.482 1.00 0.00 C ATOM 126 CG PHE A 68 19.516 0.125 -13.310 1.00 0.00 C ATOM 127 CD1 PHE A 68 20.067 0.944 -12.338 1.00 0.00 C ATOM 128 CD2 PHE A 68 18.193 -0.267 -13.180 1.00 0.00 C ATOM 129 CE1 PHE A 68 19.313 1.365 -11.258 1.00 0.00 C ATOM 130 CE2 PHE A 68 17.435 0.152 -12.103 1.00 0.00 C ATOM 131 CZ PHE A 68 17.996 0.968 -11.140 1.00 0.00 C ATOM 0 H PHE A 68 22.607 -0.030 -15.394 1.00 0.00 H new ATOM 0 HA PHE A 68 21.692 -1.146 -13.026 1.00 0.00 H new ATOM 0 HB2 PHE A 68 20.732 0.543 -15.001 1.00 0.00 H new ATOM 0 HB3 PHE A 68 19.692 -0.855 -15.186 1.00 0.00 H new ATOM 0 HD1 PHE A 68 21.097 1.257 -12.425 1.00 0.00 H new ATOM 0 HD2 PHE A 68 17.750 -0.907 -13.929 1.00 0.00 H new ATOM 0 HE1 PHE A 68 19.754 2.004 -10.507 1.00 0.00 H new ATOM 0 HE2 PHE A 68 16.404 -0.158 -12.014 1.00 0.00 H new ATOM 0 HZ PHE A 68 17.406 1.295 -10.297 1.00 0.00 H new ATOM 141 N SER A 69 20.143 -3.211 -13.664 1.00 0.00 N ATOM 142 CA SER A 69 19.701 -4.589 -13.841 1.00 0.00 C ATOM 143 C SER A 69 19.178 -4.814 -15.256 1.00 0.00 C ATOM 144 O SER A 69 19.371 -3.981 -16.140 1.00 0.00 O ATOM 145 CB SER A 69 18.613 -4.932 -12.822 1.00 0.00 C ATOM 146 OG SER A 69 18.390 -6.331 -12.765 1.00 0.00 O ATOM 0 H SER A 69 19.629 -2.691 -12.952 1.00 0.00 H new ATOM 0 HA SER A 69 20.558 -5.243 -13.681 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.904 -4.567 -11.837 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.687 -4.424 -13.089 1.00 0.00 H new ATOM 0 HG SER A 69 17.692 -6.524 -12.105 1.00 0.00 H new ATOM 152 N GLU A 70 18.514 -5.948 -15.461 1.00 0.00 N ATOM 153 CA GLU A 70 17.963 -6.284 -16.769 1.00 0.00 C ATOM 154 C GLU A 70 17.066 -5.163 -17.285 1.00 0.00 C ATOM 155 O GLU A 70 16.556 -4.341 -16.524 1.00 0.00 O ATOM 156 CB GLU A 70 17.173 -7.591 -16.694 1.00 0.00 C ATOM 157 CG GLU A 70 16.274 -7.690 -15.472 1.00 0.00 C ATOM 158 CD GLU A 70 15.132 -8.669 -15.666 1.00 0.00 C ATOM 159 OE1 GLU A 70 15.128 -9.378 -16.693 1.00 0.00 O ATOM 160 OE2 GLU A 70 14.244 -8.726 -14.790 1.00 0.00 O ATOM 0 H GLU A 70 18.345 -6.648 -14.739 1.00 0.00 H new ATOM 0 HA GLU A 70 18.794 -6.410 -17.463 1.00 0.00 H new ATOM 0 HB2 GLU A 70 16.563 -7.689 -17.592 1.00 0.00 H new ATOM 0 HB3 GLU A 70 17.871 -8.428 -16.690 1.00 0.00 H new ATOM 0 HG2 GLU A 70 16.869 -7.997 -14.612 1.00 0.00 H new ATOM 0 HG3 GLU A 70 15.868 -6.705 -15.243 1.00 0.00 H new ATOM 167 N PRO A 71 16.867 -5.128 -18.611 1.00 0.00 N ATOM 168 CA PRO A 71 16.031 -4.113 -19.260 1.00 0.00 C ATOM 169 C PRO A 71 14.550 -4.294 -18.944 1.00 0.00 C ATOM 170 O PRO A 71 14.100 -5.401 -18.652 1.00 0.00 O ATOM 171 CB PRO A 71 16.291 -4.340 -20.751 1.00 0.00 C ATOM 172 CG PRO A 71 16.702 -5.768 -20.851 1.00 0.00 C ATOM 173 CD PRO A 71 17.443 -6.076 -19.580 1.00 0.00 C ATOM 0 HA PRO A 71 16.274 -3.106 -18.919 1.00 0.00 H new ATOM 0 HB2 PRO A 71 15.397 -4.143 -21.343 1.00 0.00 H new ATOM 0 HB3 PRO A 71 17.072 -3.676 -21.122 1.00 0.00 H new ATOM 0 HG2 PRO A 71 15.833 -6.417 -20.963 1.00 0.00 H new ATOM 0 HG3 PRO A 71 17.337 -5.931 -21.722 1.00 0.00 H new ATOM 0 HD2 PRO A 71 17.294 -7.110 -19.268 1.00 0.00 H new ATOM 0 HD3 PRO A 71 18.517 -5.930 -19.695 1.00 0.00 H new ATOM 181 N GLU A 72 13.798 -3.199 -19.006 1.00 0.00 N ATOM 182 CA GLU A 72 12.368 -3.239 -18.726 1.00 0.00 C ATOM 183 C GLU A 72 11.730 -1.872 -18.957 1.00 0.00 C ATOM 184 O GLU A 72 10.795 -1.737 -19.746 1.00 0.00 O ATOM 185 CB GLU A 72 12.120 -3.694 -17.287 1.00 0.00 C ATOM 186 CG GLU A 72 10.659 -3.638 -16.874 1.00 0.00 C ATOM 187 CD GLU A 72 10.291 -4.724 -15.882 1.00 0.00 C ATOM 188 OE1 GLU A 72 10.703 -5.884 -16.093 1.00 0.00 O ATOM 189 OE2 GLU A 72 9.591 -4.415 -14.895 1.00 0.00 O ATOM 0 H GLU A 72 14.155 -2.275 -19.247 1.00 0.00 H new ATOM 0 HA GLU A 72 11.910 -3.954 -19.409 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.483 -4.715 -17.170 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.704 -3.069 -16.611 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.447 -2.663 -16.435 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.031 -3.732 -17.760 1.00 0.00 H new ATOM 196 N ILE A 73 12.243 -0.862 -18.262 1.00 0.00 N ATOM 197 CA ILE A 73 11.725 0.494 -18.391 1.00 0.00 C ATOM 198 C ILE A 73 11.448 0.840 -19.850 1.00 0.00 C ATOM 199 O ILE A 73 10.364 1.316 -20.193 1.00 0.00 O ATOM 200 CB ILE A 73 12.704 1.529 -17.806 1.00 0.00 C ATOM 201 CG1 ILE A 73 14.138 1.000 -17.872 1.00 0.00 C ATOM 202 CG2 ILE A 73 12.323 1.868 -16.373 1.00 0.00 C ATOM 203 CD1 ILE A 73 15.186 2.064 -17.631 1.00 0.00 C ATOM 0 H ILE A 73 13.017 -0.957 -17.604 1.00 0.00 H new ATOM 0 HA ILE A 73 10.792 0.530 -17.828 1.00 0.00 H new ATOM 0 HB ILE A 73 12.645 2.440 -18.401 1.00 0.00 H new ATOM 0 HG12 ILE A 73 14.259 0.208 -17.133 1.00 0.00 H new ATOM 0 HG13 ILE A 73 14.306 0.551 -18.851 1.00 0.00 H new ATOM 0 HG21 ILE A 73 13.024 2.601 -15.974 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.315 2.282 -16.353 1.00 0.00 H new ATOM 0 HG23 ILE A 73 12.356 0.964 -15.764 1.00 0.00 H new ATOM 0 HD11 ILE A 73 16.179 1.618 -17.693 1.00 0.00 H new ATOM 0 HD12 ILE A 73 15.092 2.845 -18.386 1.00 0.00 H new ATOM 0 HD13 ILE A 73 15.044 2.497 -16.641 1.00 0.00 H new ATOM 215 N THR A 74 12.434 0.597 -20.708 1.00 0.00 N ATOM 216 CA THR A 74 12.297 0.883 -22.130 1.00 0.00 C ATOM 217 C THR A 74 11.009 0.288 -22.689 1.00 0.00 C ATOM 218 O THR A 74 10.232 0.977 -23.351 1.00 0.00 O ATOM 219 CB THR A 74 13.492 0.333 -22.931 1.00 0.00 C ATOM 220 OG1 THR A 74 14.719 0.825 -22.380 1.00 0.00 O ATOM 221 CG2 THR A 74 13.392 0.732 -24.396 1.00 0.00 C ATOM 0 H THR A 74 13.336 0.203 -20.442 1.00 0.00 H new ATOM 0 HA THR A 74 12.268 1.968 -22.233 1.00 0.00 H new ATOM 0 HB THR A 74 13.475 -0.755 -22.865 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.474 0.469 -22.894 1.00 0.00 H new ATOM 0 HG21 THR A 74 14.247 0.332 -24.941 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.471 0.331 -24.820 1.00 0.00 H new ATOM 0 HG23 THR A 74 13.386 1.819 -24.477 1.00 0.00 H new ATOM 229 N LEU A 75 10.789 -0.994 -22.418 1.00 0.00 N ATOM 230 CA LEU A 75 9.593 -1.681 -22.893 1.00 0.00 C ATOM 231 C LEU A 75 8.331 -0.957 -22.437 1.00 0.00 C ATOM 232 O LEU A 75 7.422 -0.714 -23.231 1.00 0.00 O ATOM 233 CB LEU A 75 9.577 -3.125 -22.389 1.00 0.00 C ATOM 234 CG LEU A 75 10.750 -4.003 -22.827 1.00 0.00 C ATOM 235 CD1 LEU A 75 10.766 -5.304 -22.041 1.00 0.00 C ATOM 236 CD2 LEU A 75 10.678 -4.281 -24.322 1.00 0.00 C ATOM 0 H LEU A 75 11.423 -1.578 -21.872 1.00 0.00 H new ATOM 0 HA LEU A 75 9.614 -1.683 -23.983 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.549 -3.108 -21.299 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.652 -3.595 -22.724 1.00 0.00 H new ATOM 0 HG LEU A 75 11.677 -3.468 -22.621 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.608 -5.915 -22.367 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.866 -5.086 -20.978 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.836 -5.845 -22.214 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.520 -4.907 -24.617 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.745 -4.796 -24.552 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.717 -3.339 -24.869 1.00 0.00 H new ATOM 248 N ILE A 76 8.283 -0.614 -21.154 1.00 0.00 N ATOM 249 CA ILE A 76 7.133 0.086 -20.594 1.00 0.00 C ATOM 250 C ILE A 76 6.859 1.384 -21.346 1.00 0.00 C ATOM 251 O ILE A 76 5.716 1.683 -21.691 1.00 0.00 O ATOM 252 CB ILE A 76 7.341 0.405 -19.102 1.00 0.00 C ATOM 253 CG1 ILE A 76 7.716 -0.865 -18.334 1.00 0.00 C ATOM 254 CG2 ILE A 76 6.086 1.034 -18.515 1.00 0.00 C ATOM 255 CD1 ILE A 76 6.655 -1.941 -18.390 1.00 0.00 C ATOM 0 H ILE A 76 9.026 -0.809 -20.483 1.00 0.00 H new ATOM 0 HA ILE A 76 6.276 -0.580 -20.700 1.00 0.00 H new ATOM 0 HB ILE A 76 8.160 1.119 -19.009 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.647 -1.263 -18.738 1.00 0.00 H new ATOM 0 HG13 ILE A 76 7.906 -0.607 -17.292 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.249 1.254 -17.460 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.859 1.958 -19.047 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.250 0.342 -18.617 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.989 -2.811 -17.824 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.729 -1.561 -17.959 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.482 -2.227 -19.427 1.00 0.00 H new ATOM 267 N ILE A 77 7.916 2.149 -21.599 1.00 0.00 N ATOM 268 CA ILE A 77 7.789 3.413 -22.314 1.00 0.00 C ATOM 269 C ILE A 77 7.322 3.189 -23.748 1.00 0.00 C ATOM 270 O ILE A 77 6.370 3.820 -24.208 1.00 0.00 O ATOM 271 CB ILE A 77 9.122 4.184 -22.334 1.00 0.00 C ATOM 272 CG1 ILE A 77 9.592 4.471 -20.906 1.00 0.00 C ATOM 273 CG2 ILE A 77 8.973 5.479 -23.119 1.00 0.00 C ATOM 274 CD1 ILE A 77 10.818 5.355 -20.840 1.00 0.00 C ATOM 0 H ILE A 77 8.869 1.916 -21.320 1.00 0.00 H new ATOM 0 HA ILE A 77 7.045 4.004 -21.781 1.00 0.00 H new ATOM 0 HB ILE A 77 9.874 3.568 -22.827 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.781 4.946 -20.354 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.808 3.527 -20.406 1.00 0.00 H new ATOM 0 HG21 ILE A 77 9.923 6.013 -23.124 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.679 5.252 -24.144 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.210 6.102 -22.652 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.095 5.516 -19.798 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.643 4.872 -21.364 1.00 0.00 H new ATOM 0 HD13 ILE A 77 10.601 6.314 -21.310 1.00 0.00 H new ATOM 286 N PHE A 78 7.999 2.287 -24.451 1.00 0.00 N ATOM 287 CA PHE A 78 7.653 1.979 -25.834 1.00 0.00 C ATOM 288 C PHE A 78 6.183 1.588 -25.952 1.00 0.00 C ATOM 289 O PHE A 78 5.458 2.106 -26.801 1.00 0.00 O ATOM 290 CB PHE A 78 8.537 0.848 -26.363 1.00 0.00 C ATOM 291 CG PHE A 78 8.114 0.337 -27.710 1.00 0.00 C ATOM 292 CD1 PHE A 78 8.540 0.966 -28.869 1.00 0.00 C ATOM 293 CD2 PHE A 78 7.290 -0.772 -27.819 1.00 0.00 C ATOM 294 CE1 PHE A 78 8.154 0.498 -30.111 1.00 0.00 C ATOM 295 CE2 PHE A 78 6.901 -1.244 -29.057 1.00 0.00 C ATOM 296 CZ PHE A 78 7.332 -0.608 -30.205 1.00 0.00 C ATOM 0 H PHE A 78 8.790 1.757 -24.086 1.00 0.00 H new ATOM 0 HA PHE A 78 7.822 2.874 -26.433 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.567 1.201 -26.424 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.524 0.024 -25.650 1.00 0.00 H new ATOM 0 HD1 PHE A 78 9.181 1.832 -28.801 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.948 -1.273 -26.925 1.00 0.00 H new ATOM 0 HE1 PHE A 78 8.495 0.996 -31.007 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.260 -2.110 -29.128 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.027 -0.975 -31.174 1.00 0.00 H new ATOM 306 N GLY A 79 5.749 0.670 -25.094 1.00 0.00 N ATOM 307 CA GLY A 79 4.368 0.224 -25.119 1.00 0.00 C ATOM 308 C GLY A 79 3.386 1.372 -24.993 1.00 0.00 C ATOM 309 O GLY A 79 2.509 1.545 -25.839 1.00 0.00 O ATOM 0 H GLY A 79 6.329 0.227 -24.382 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.179 -0.311 -26.049 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.203 -0.482 -24.306 1.00 0.00 H new ATOM 313 N VAL A 80 3.532 2.159 -23.931 1.00 0.00 N ATOM 314 CA VAL A 80 2.650 3.296 -23.696 1.00 0.00 C ATOM 315 C VAL A 80 2.739 4.305 -24.836 1.00 0.00 C ATOM 316 O VAL A 80 1.747 4.939 -25.195 1.00 0.00 O ATOM 317 CB VAL A 80 2.988 4.004 -22.371 1.00 0.00 C ATOM 318 CG1 VAL A 80 2.010 5.138 -22.106 1.00 0.00 C ATOM 319 CG2 VAL A 80 2.987 3.009 -21.221 1.00 0.00 C ATOM 0 H VAL A 80 4.252 2.030 -23.220 1.00 0.00 H new ATOM 0 HA VAL A 80 1.635 2.903 -23.641 1.00 0.00 H new ATOM 0 HB VAL A 80 3.988 4.431 -22.452 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.265 5.626 -21.165 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.065 5.863 -22.918 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.998 4.739 -22.045 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.228 3.526 -20.292 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.001 2.551 -21.137 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.731 2.235 -21.409 1.00 0.00 H new ATOM 329 N MET A 81 3.933 4.448 -25.400 1.00 0.00 N ATOM 330 CA MET A 81 4.151 5.380 -26.501 1.00 0.00 C ATOM 331 C MET A 81 3.382 4.942 -27.743 1.00 0.00 C ATOM 332 O MET A 81 2.753 5.760 -28.415 1.00 0.00 O ATOM 333 CB MET A 81 5.644 5.483 -26.822 1.00 0.00 C ATOM 334 CG MET A 81 6.418 6.345 -25.838 1.00 0.00 C ATOM 335 SD MET A 81 6.239 8.109 -26.170 1.00 0.00 S ATOM 336 CE MET A 81 5.891 8.729 -24.526 1.00 0.00 C ATOM 0 H MET A 81 4.764 3.931 -25.114 1.00 0.00 H new ATOM 0 HA MET A 81 3.784 6.359 -26.194 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.075 4.482 -26.833 1.00 0.00 H new ATOM 0 HB3 MET A 81 5.764 5.893 -27.825 1.00 0.00 H new ATOM 0 HG2 MET A 81 6.074 6.133 -24.826 1.00 0.00 H new ATOM 0 HG3 MET A 81 7.474 6.077 -25.878 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.755 9.810 -24.566 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.982 8.263 -24.146 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.724 8.493 -23.864 1.00 0.00 H new ATOM 346 N ALA A 82 3.437 3.649 -28.043 1.00 0.00 N ATOM 347 CA ALA A 82 2.743 3.104 -29.204 1.00 0.00 C ATOM 348 C ALA A 82 1.231 3.208 -29.039 1.00 0.00 C ATOM 349 O ALA A 82 0.525 3.635 -29.951 1.00 0.00 O ATOM 350 CB ALA A 82 3.153 1.656 -29.432 1.00 0.00 C ATOM 0 H ALA A 82 3.955 2.959 -27.499 1.00 0.00 H new ATOM 0 HA ALA A 82 3.028 3.693 -30.076 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.627 1.262 -30.302 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.228 1.605 -29.604 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.897 1.063 -28.554 1.00 0.00 H new ATOM 356 N GLY A 83 0.739 2.813 -27.868 1.00 0.00 N ATOM 357 CA GLY A 83 -0.687 2.869 -27.606 1.00 0.00 C ATOM 358 C GLY A 83 -1.227 4.285 -27.639 1.00 0.00 C ATOM 359 O GLY A 83 -2.185 4.575 -28.356 1.00 0.00 O ATOM 0 H GLY A 83 1.303 2.455 -27.097 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.213 2.265 -28.346 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.892 2.428 -26.630 1.00 0.00 H new ATOM 363 N VAL A 84 -0.613 5.170 -26.860 1.00 0.00 N ATOM 364 CA VAL A 84 -1.038 6.564 -26.803 1.00 0.00 C ATOM 365 C VAL A 84 -1.079 7.183 -28.196 1.00 0.00 C ATOM 366 O VAL A 84 -2.127 7.643 -28.651 1.00 0.00 O ATOM 367 CB VAL A 84 -0.103 7.400 -25.909 1.00 0.00 C ATOM 368 CG1 VAL A 84 -0.438 8.879 -26.022 1.00 0.00 C ATOM 369 CG2 VAL A 84 -0.192 6.933 -24.464 1.00 0.00 C ATOM 0 H VAL A 84 0.181 4.946 -26.259 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.040 6.572 -26.375 1.00 0.00 H new ATOM 0 HB VAL A 84 0.922 7.258 -26.251 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.233 9.454 -25.383 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.319 9.201 -27.057 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.468 9.044 -25.707 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.475 7.534 -23.846 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.216 7.045 -24.108 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.102 5.885 -24.402 1.00 0.00 H new ATOM 379 N ILE A 85 0.067 7.191 -28.868 1.00 0.00 N ATOM 380 CA ILE A 85 0.161 7.752 -30.210 1.00 0.00 C ATOM 381 C ILE A 85 -0.847 7.100 -31.151 1.00 0.00 C ATOM 382 O ILE A 85 -1.435 7.764 -32.003 1.00 0.00 O ATOM 383 CB ILE A 85 1.576 7.581 -30.794 1.00 0.00 C ATOM 384 CG1 ILE A 85 2.600 8.323 -29.932 1.00 0.00 C ATOM 385 CG2 ILE A 85 1.621 8.082 -32.229 1.00 0.00 C ATOM 386 CD1 ILE A 85 2.416 9.825 -29.934 1.00 0.00 C ATOM 0 H ILE A 85 0.943 6.815 -28.505 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.062 8.815 -30.123 1.00 0.00 H new ATOM 0 HB ILE A 85 1.828 6.521 -30.792 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.533 7.958 -28.907 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.603 8.087 -30.289 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.627 7.954 -32.628 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.916 7.513 -32.835 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.352 9.138 -32.254 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.176 10.285 -29.303 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.513 10.202 -30.952 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.426 10.071 -29.549 1.00 0.00 H new ATOM 398 N GLY A 86 -1.043 5.795 -30.988 1.00 0.00 N ATOM 399 CA GLY A 86 -1.981 5.075 -31.828 1.00 0.00 C ATOM 400 C GLY A 86 -3.400 5.591 -31.686 1.00 0.00 C ATOM 401 O GLY A 86 -4.056 5.907 -32.679 1.00 0.00 O ATOM 0 H GLY A 86 -0.568 5.224 -30.289 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.670 5.158 -32.869 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.955 4.016 -31.571 1.00 0.00 H new ATOM 405 N THR A 87 -3.877 5.674 -30.448 1.00 0.00 N ATOM 406 CA THR A 87 -5.227 6.152 -30.179 1.00 0.00 C ATOM 407 C THR A 87 -5.438 7.552 -30.744 1.00 0.00 C ATOM 408 O THR A 87 -6.470 7.837 -31.351 1.00 0.00 O ATOM 409 CB THR A 87 -5.527 6.170 -28.668 1.00 0.00 C ATOM 410 OG1 THR A 87 -5.108 4.937 -28.071 1.00 0.00 O ATOM 411 CG2 THR A 87 -7.011 6.385 -28.414 1.00 0.00 C ATOM 0 H THR A 87 -3.348 5.416 -29.615 1.00 0.00 H new ATOM 0 HA THR A 87 -5.910 5.459 -30.669 1.00 0.00 H new ATOM 0 HB THR A 87 -4.975 6.996 -28.219 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.129 4.908 -28.034 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.199 6.394 -27.340 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.320 7.338 -28.844 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.580 5.578 -28.875 1.00 0.00 H new ATOM 419 N ILE A 88 -4.453 8.420 -30.542 1.00 0.00 N ATOM 420 CA ILE A 88 -4.531 9.791 -31.033 1.00 0.00 C ATOM 421 C ILE A 88 -4.790 9.822 -32.536 1.00 0.00 C ATOM 422 O ILE A 88 -5.716 10.485 -33.004 1.00 0.00 O ATOM 423 CB ILE A 88 -3.239 10.572 -30.730 1.00 0.00 C ATOM 424 CG1 ILE A 88 -2.976 10.600 -29.223 1.00 0.00 C ATOM 425 CG2 ILE A 88 -3.332 11.986 -31.283 1.00 0.00 C ATOM 426 CD1 ILE A 88 -1.530 10.864 -28.867 1.00 0.00 C ATOM 0 H ILE A 88 -3.592 8.199 -30.042 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.363 10.266 -30.513 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.404 10.067 -31.217 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.600 11.369 -28.768 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.280 9.646 -28.792 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.411 12.525 -31.061 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.477 11.946 -32.363 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.175 12.502 -30.823 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.417 10.870 -27.783 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.902 10.082 -29.293 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.227 11.831 -29.268 1.00 0.00 H new ATOM 438 N LEU A 89 -3.966 9.100 -33.287 1.00 0.00 N ATOM 439 CA LEU A 89 -4.106 9.043 -34.738 1.00 0.00 C ATOM 440 C LEU A 89 -5.502 8.570 -35.132 1.00 0.00 C ATOM 441 O LEU A 89 -6.190 9.220 -35.920 1.00 0.00 O ATOM 442 CB LEU A 89 -3.052 8.109 -35.336 1.00 0.00 C ATOM 443 CG LEU A 89 -1.629 8.664 -35.409 1.00 0.00 C ATOM 444 CD1 LEU A 89 -0.650 7.571 -35.809 1.00 0.00 C ATOM 445 CD2 LEU A 89 -1.559 9.829 -36.385 1.00 0.00 C ATOM 0 H LEU A 89 -3.194 8.546 -32.916 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.958 10.048 -35.132 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.033 7.191 -34.748 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.367 7.836 -36.343 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.351 9.029 -34.420 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.358 7.984 -35.856 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.679 6.769 -35.072 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.926 7.175 -36.787 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.539 10.211 -36.423 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.858 9.491 -37.377 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.231 10.621 -36.055 1.00 0.00 H new ATOM 457 N LEU A 90 -5.915 7.436 -34.578 1.00 0.00 N ATOM 458 CA LEU A 90 -7.231 6.876 -34.869 1.00 0.00 C ATOM 459 C LEU A 90 -8.334 7.875 -34.533 1.00 0.00 C ATOM 460 O LEU A 90 -9.207 8.150 -35.357 1.00 0.00 O ATOM 461 CB LEU A 90 -7.442 5.582 -34.081 1.00 0.00 C ATOM 462 CG LEU A 90 -6.502 4.426 -34.426 1.00 0.00 C ATOM 463 CD1 LEU A 90 -6.431 3.435 -33.274 1.00 0.00 C ATOM 464 CD2 LEU A 90 -6.956 3.732 -35.702 1.00 0.00 C ATOM 0 H LEU A 90 -5.358 6.886 -33.924 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.278 6.656 -35.936 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.337 5.805 -33.019 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.468 5.249 -34.236 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.504 4.831 -34.592 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.758 2.619 -33.537 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.059 3.940 -32.382 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.426 3.035 -33.076 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.276 2.912 -35.932 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -7.963 3.339 -35.564 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.955 4.447 -36.525 1.00 0.00 H new ATOM 476 N ILE A 91 -8.286 8.416 -33.321 1.00 0.00 N ATOM 477 CA ILE A 91 -9.279 9.387 -32.878 1.00 0.00 C ATOM 478 C ILE A 91 -9.356 10.570 -33.837 1.00 0.00 C ATOM 479 O ILE A 91 -10.442 10.985 -34.241 1.00 0.00 O ATOM 480 CB ILE A 91 -8.966 9.907 -31.463 1.00 0.00 C ATOM 481 CG1 ILE A 91 -9.179 8.798 -30.430 1.00 0.00 C ATOM 482 CG2 ILE A 91 -9.834 11.114 -31.138 1.00 0.00 C ATOM 483 CD1 ILE A 91 -8.631 9.133 -29.061 1.00 0.00 C ATOM 0 H ILE A 91 -7.570 8.199 -32.628 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.239 8.872 -32.862 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.921 10.215 -31.428 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.246 8.592 -30.345 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.706 7.884 -30.788 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -9.601 11.470 -30.134 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.638 11.908 -31.859 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.885 10.830 -31.187 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -8.818 8.302 -28.381 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.558 9.310 -29.132 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.122 10.029 -28.682 1.00 0.00 H new ATOM 495 N SER A 92 -8.195 11.109 -34.197 1.00 0.00 N ATOM 496 CA SER A 92 -8.131 12.247 -35.107 1.00 0.00 C ATOM 497 C SER A 92 -8.861 11.941 -36.412 1.00 0.00 C ATOM 498 O SER A 92 -9.420 12.835 -37.047 1.00 0.00 O ATOM 499 CB SER A 92 -6.674 12.612 -35.399 1.00 0.00 C ATOM 500 OG SER A 92 -6.006 13.026 -34.219 1.00 0.00 O ATOM 0 H SER A 92 -7.287 10.776 -33.873 1.00 0.00 H new ATOM 0 HA SER A 92 -8.621 13.093 -34.626 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.160 11.753 -35.829 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.637 13.410 -36.141 1.00 0.00 H new ATOM 0 HG SER A 92 -5.807 12.243 -33.664 1.00 0.00 H new ATOM 506 N TYR A 93 -8.851 10.672 -36.804 1.00 0.00 N ATOM 507 CA TYR A 93 -9.509 10.248 -38.034 1.00 0.00 C ATOM 508 C TYR A 93 -11.027 10.277 -37.878 1.00 0.00 C ATOM 509 O TYR A 93 -11.751 10.631 -38.806 1.00 0.00 O ATOM 510 CB TYR A 93 -9.052 8.841 -38.422 1.00 0.00 C ATOM 511 CG TYR A 93 -8.048 8.821 -39.552 1.00 0.00 C ATOM 512 CD1 TYR A 93 -8.319 9.450 -40.761 1.00 0.00 C ATOM 513 CD2 TYR A 93 -6.827 8.171 -39.412 1.00 0.00 C ATOM 514 CE1 TYR A 93 -7.405 9.434 -41.796 1.00 0.00 C ATOM 515 CE2 TYR A 93 -5.906 8.151 -40.441 1.00 0.00 C ATOM 516 CZ TYR A 93 -6.200 8.784 -41.631 1.00 0.00 C ATOM 517 OH TYR A 93 -5.285 8.765 -42.659 1.00 0.00 O ATOM 0 H TYR A 93 -8.395 9.919 -36.288 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.230 10.945 -38.824 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.614 8.357 -37.549 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.923 8.252 -38.710 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.261 9.961 -40.894 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.595 7.673 -38.482 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -7.633 9.928 -42.729 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.961 7.643 -40.315 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.489 8.267 -42.379 1.00 0.00 H new ATOM 527 N GLY A 94 -11.500 9.901 -36.693 1.00 0.00 N ATOM 528 CA GLY A 94 -12.928 9.891 -36.434 1.00 0.00 C ATOM 529 C GLY A 94 -13.537 11.279 -36.487 1.00 0.00 C ATOM 530 O GLY A 94 -14.672 11.449 -36.932 1.00 0.00 O ATOM 0 H GLY A 94 -10.920 9.603 -35.909 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.422 9.253 -37.166 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.113 9.454 -35.453 1.00 0.00 H new ATOM 534 N ILE A 95 -12.781 12.272 -36.030 1.00 0.00 N ATOM 535 CA ILE A 95 -13.254 13.651 -36.026 1.00 0.00 C ATOM 536 C ILE A 95 -13.451 14.168 -37.447 1.00 0.00 C ATOM 537 O ILE A 95 -14.324 14.998 -37.701 1.00 0.00 O ATOM 538 CB ILE A 95 -12.274 14.580 -35.285 1.00 0.00 C ATOM 539 CG1 ILE A 95 -12.098 14.120 -33.837 1.00 0.00 C ATOM 540 CG2 ILE A 95 -12.768 16.018 -35.334 1.00 0.00 C ATOM 541 CD1 ILE A 95 -10.886 14.717 -33.156 1.00 0.00 C ATOM 0 H ILE A 95 -11.839 12.147 -35.658 1.00 0.00 H new ATOM 0 HA ILE A 95 -14.211 13.655 -35.504 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.305 14.533 -35.782 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.990 14.384 -33.269 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -12.017 13.033 -33.817 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -12.065 16.662 -34.806 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -12.847 16.340 -36.372 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.747 16.083 -34.859 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.824 14.347 -32.133 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -9.986 14.432 -33.700 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.974 15.803 -33.144 1.00 0.00 H new ATOM 553 N ARG A 96 -12.635 13.670 -38.371 1.00 0.00 N ATOM 554 CA ARG A 96 -12.721 14.081 -39.767 1.00 0.00 C ATOM 555 C ARG A 96 -13.940 13.462 -40.443 1.00 0.00 C ATOM 556 O ARG A 96 -14.644 14.125 -41.204 1.00 0.00 O ATOM 557 CB ARG A 96 -11.450 13.680 -40.517 1.00 0.00 C ATOM 558 CG ARG A 96 -10.824 14.817 -41.308 1.00 0.00 C ATOM 559 CD ARG A 96 -9.784 14.305 -42.293 1.00 0.00 C ATOM 560 NE ARG A 96 -8.425 14.645 -41.880 1.00 0.00 N ATOM 561 CZ ARG A 96 -7.336 14.167 -42.471 1.00 0.00 C ATOM 562 NH1 ARG A 96 -7.446 13.332 -43.495 1.00 0.00 N ATOM 563 NH2 ARG A 96 -6.134 14.523 -42.037 1.00 0.00 N ATOM 0 H ARG A 96 -11.907 12.982 -38.178 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.825 15.166 -39.794 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.720 13.302 -39.801 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.683 12.861 -41.197 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.602 15.358 -41.847 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.359 15.526 -40.623 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.875 13.223 -42.386 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.980 14.727 -43.279 1.00 0.00 H new ATOM 0 HE ARG A 96 -8.306 15.285 -41.095 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.369 13.055 -43.831 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.608 12.966 -43.947 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.046 15.164 -41.249 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.298 14.155 -42.492 1.00 0.00 H new ATOM 577 N ARG A 97 -14.184 12.186 -40.159 1.00 0.00 N ATOM 578 CA ARG A 97 -15.317 11.477 -40.740 1.00 0.00 C ATOM 579 C ARG A 97 -15.318 11.608 -42.261 1.00 0.00 C ATOM 580 O ARG A 97 -16.373 11.582 -42.896 1.00 0.00 O ATOM 581 CB ARG A 97 -16.630 12.016 -40.170 1.00 0.00 C ATOM 582 CG ARG A 97 -17.795 11.048 -40.305 1.00 0.00 C ATOM 583 CD ARG A 97 -17.831 10.056 -39.153 1.00 0.00 C ATOM 584 NE ARG A 97 -18.153 10.703 -37.884 1.00 0.00 N ATOM 585 CZ ARG A 97 -18.403 10.036 -36.762 1.00 0.00 C ATOM 586 NH1 ARG A 97 -18.367 8.711 -36.752 1.00 0.00 N ATOM 587 NH2 ARG A 97 -18.688 10.696 -35.647 1.00 0.00 N ATOM 0 H ARG A 97 -13.612 11.623 -39.530 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.224 10.422 -40.483 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -16.488 12.256 -39.116 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.882 12.947 -40.677 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -18.731 11.606 -40.336 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -17.714 10.509 -41.249 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.570 9.283 -39.363 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -16.864 9.559 -39.072 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.188 11.722 -37.857 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -18.147 8.200 -37.607 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -18.559 8.202 -35.889 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -18.715 11.716 -35.651 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -18.880 10.184 -34.786 1.00 0.00 H new ATOM 601 N LEU A 98 -14.130 11.749 -42.838 1.00 0.00 N ATOM 602 CA LEU A 98 -13.993 11.885 -44.284 1.00 0.00 C ATOM 603 C LEU A 98 -12.579 11.531 -44.733 1.00 0.00 C ATOM 604 O LEU A 98 -12.407 10.567 -45.478 1.00 0.00 O ATOM 605 CB LEU A 98 -14.336 13.311 -44.717 1.00 0.00 C ATOM 606 CG LEU A 98 -15.378 13.443 -45.829 1.00 0.00 C ATOM 607 CD1 LEU A 98 -16.034 14.814 -45.785 1.00 0.00 C ATOM 608 CD2 LEU A 98 -14.740 13.198 -47.189 1.00 0.00 C ATOM 0 H LEU A 98 -13.248 11.772 -42.327 1.00 0.00 H new ATOM 0 HA LEU A 98 -14.689 11.191 -44.757 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -14.694 13.858 -43.845 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -13.419 13.800 -45.046 1.00 0.00 H new ATOM 0 HG LEU A 98 -16.149 12.689 -45.670 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -16.772 14.890 -46.583 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -16.525 14.951 -44.822 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -15.275 15.585 -45.918 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -15.496 13.296 -47.968 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -13.949 13.929 -47.357 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -14.318 12.193 -47.217 1.00 0.00 H new TER 620 LEU A 98 ATOM 621 N ARG B 61 7.499 -3.321 3.788 1.00 0.00 N ATOM 622 CA ARG B 61 8.267 -4.558 3.859 1.00 0.00 C ATOM 623 C ARG B 61 7.491 -5.716 3.238 1.00 0.00 C ATOM 624 O ARG B 61 7.236 -6.728 3.890 1.00 0.00 O ATOM 625 CB ARG B 61 8.613 -4.885 5.313 1.00 0.00 C ATOM 626 CG ARG B 61 7.427 -4.786 6.259 1.00 0.00 C ATOM 627 CD ARG B 61 7.853 -4.971 7.707 1.00 0.00 C ATOM 628 NE ARG B 61 6.742 -5.402 8.553 1.00 0.00 N ATOM 629 CZ ARG B 61 6.292 -6.651 8.595 1.00 0.00 C ATOM 630 NH1 ARG B 61 6.854 -7.587 7.843 1.00 0.00 N ATOM 631 NH2 ARG B 61 5.277 -6.965 9.390 1.00 0.00 N ATOM 0 HA ARG B 61 9.189 -4.417 3.295 1.00 0.00 H new ATOM 0 HB2 ARG B 61 9.023 -5.894 5.362 1.00 0.00 H new ATOM 0 HB3 ARG B 61 9.395 -4.206 5.653 1.00 0.00 H new ATOM 0 HG2 ARG B 61 6.946 -3.815 6.141 1.00 0.00 H new ATOM 0 HG3 ARG B 61 6.687 -5.542 5.997 1.00 0.00 H new ATOM 0 HD2 ARG B 61 8.655 -5.708 7.758 1.00 0.00 H new ATOM 0 HD3 ARG B 61 8.257 -4.033 8.089 1.00 0.00 H new ATOM 0 HE ARG B 61 6.287 -4.706 9.143 1.00 0.00 H new ATOM 0 HH11 ARG B 61 7.634 -7.349 7.230 1.00 0.00 H new ATOM 0 HH12 ARG B 61 6.507 -8.545 7.877 1.00 0.00 H new ATOM 0 HH21 ARG B 61 4.842 -6.247 9.969 1.00 0.00 H new ATOM 0 HH22 ARG B 61 4.932 -7.924 9.422 1.00 0.00 H new ATOM 645 N VAL B 62 7.118 -5.559 1.971 1.00 0.00 N ATOM 646 CA VAL B 62 6.372 -6.591 1.261 1.00 0.00 C ATOM 647 C VAL B 62 7.152 -7.100 0.054 1.00 0.00 C ATOM 648 O VAL B 62 6.989 -6.600 -1.058 1.00 0.00 O ATOM 649 CB VAL B 62 5.002 -6.069 0.789 1.00 0.00 C ATOM 650 CG1 VAL B 62 4.173 -7.201 0.201 1.00 0.00 C ATOM 651 CG2 VAL B 62 4.264 -5.398 1.938 1.00 0.00 C ATOM 0 H VAL B 62 7.320 -4.727 1.416 1.00 0.00 H new ATOM 0 HA VAL B 62 6.218 -7.410 1.963 1.00 0.00 H new ATOM 0 HB VAL B 62 5.164 -5.326 0.008 1.00 0.00 H new ATOM 0 HG11 VAL B 62 3.209 -6.813 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL B 62 4.699 -7.633 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL B 62 4.017 -7.969 0.959 1.00 0.00 H new ATOM 0 HG21 VAL B 62 3.298 -5.035 1.587 1.00 0.00 H new ATOM 0 HG22 VAL B 62 4.111 -6.118 2.742 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.854 -4.560 2.309 1.00 0.00 H new ATOM 661 N GLN B 63 8.000 -8.098 0.283 1.00 0.00 N ATOM 662 CA GLN B 63 8.806 -8.675 -0.787 1.00 0.00 C ATOM 663 C GLN B 63 8.018 -9.731 -1.554 1.00 0.00 C ATOM 664 O GLN B 63 6.889 -10.065 -1.189 1.00 0.00 O ATOM 665 CB GLN B 63 10.085 -9.291 -0.215 1.00 0.00 C ATOM 666 CG GLN B 63 11.357 -8.746 -0.844 1.00 0.00 C ATOM 667 CD GLN B 63 12.608 -9.199 -0.118 1.00 0.00 C ATOM 668 OE1 GLN B 63 12.840 -10.396 0.053 1.00 0.00 O ATOM 669 NE2 GLN B 63 13.422 -8.243 0.313 1.00 0.00 N ATOM 0 H GLN B 63 8.147 -8.523 1.198 1.00 0.00 H new ATOM 0 HA GLN B 63 9.073 -7.875 -1.478 1.00 0.00 H new ATOM 0 HB2 GLN B 63 10.115 -9.112 0.860 1.00 0.00 H new ATOM 0 HB3 GLN B 63 10.053 -10.371 -0.357 1.00 0.00 H new ATOM 0 HG2 GLN B 63 11.409 -9.067 -1.884 1.00 0.00 H new ATOM 0 HG3 GLN B 63 11.318 -7.657 -0.848 1.00 0.00 H new ATOM 0 HE21 GLN B 63 13.190 -7.263 0.149 1.00 0.00 H new ATOM 0 HE22 GLN B 63 14.279 -8.488 0.808 1.00 0.00 H new ATOM 678 N LEU B 64 8.618 -10.254 -2.617 1.00 0.00 N ATOM 679 CA LEU B 64 7.971 -11.273 -3.437 1.00 0.00 C ATOM 680 C LEU B 64 6.609 -10.794 -3.927 1.00 0.00 C ATOM 681 O LEU B 64 5.574 -11.155 -3.368 1.00 0.00 O ATOM 682 CB LEU B 64 7.812 -12.570 -2.641 1.00 0.00 C ATOM 683 CG LEU B 64 9.049 -13.466 -2.563 1.00 0.00 C ATOM 684 CD1 LEU B 64 8.837 -14.582 -1.552 1.00 0.00 C ATOM 685 CD2 LEU B 64 9.378 -14.040 -3.934 1.00 0.00 C ATOM 0 H LEU B 64 9.552 -9.990 -2.932 1.00 0.00 H new ATOM 0 HA LEU B 64 8.603 -11.461 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU B 64 7.508 -12.315 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU B 64 6.998 -13.146 -3.082 1.00 0.00 H new ATOM 0 HG LEU B 64 9.893 -12.861 -2.232 1.00 0.00 H new ATOM 0 HD11 LEU B 64 9.728 -15.209 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU B 64 8.650 -14.151 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU B 64 7.981 -15.187 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU B 64 10.261 -14.675 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU B 64 8.535 -14.631 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU B 64 9.574 -13.226 -4.632 1.00 0.00 H new ATOM 697 N ALA B 65 6.617 -9.980 -4.978 1.00 0.00 N ATOM 698 CA ALA B 65 5.382 -9.455 -5.547 1.00 0.00 C ATOM 699 C ALA B 65 5.599 -8.967 -6.975 1.00 0.00 C ATOM 700 O ALA B 65 5.908 -7.797 -7.203 1.00 0.00 O ATOM 701 CB ALA B 65 4.838 -8.329 -4.680 1.00 0.00 C ATOM 0 H ALA B 65 7.465 -9.670 -5.452 1.00 0.00 H new ATOM 0 HA ALA B 65 4.652 -10.264 -5.574 1.00 0.00 H new ATOM 0 HB1 ALA B 65 3.916 -7.946 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.635 -8.707 -3.678 1.00 0.00 H new ATOM 0 HB3 ALA B 65 5.573 -7.526 -4.623 1.00 0.00 H new ATOM 707 N HIS B 66 5.436 -9.872 -7.936 1.00 0.00 N ATOM 708 CA HIS B 66 5.615 -9.533 -9.343 1.00 0.00 C ATOM 709 C HIS B 66 6.899 -8.736 -9.551 1.00 0.00 C ATOM 710 O HIS B 66 6.880 -7.505 -9.584 1.00 0.00 O ATOM 711 CB HIS B 66 4.416 -8.733 -9.853 1.00 0.00 C ATOM 712 CG HIS B 66 4.607 -8.182 -11.233 1.00 0.00 C ATOM 713 ND1 HIS B 66 5.132 -8.920 -12.272 1.00 0.00 N ATOM 714 CD2 HIS B 66 4.338 -6.957 -11.742 1.00 0.00 C ATOM 715 CE1 HIS B 66 5.180 -8.173 -13.361 1.00 0.00 C ATOM 716 NE2 HIS B 66 4.703 -6.977 -13.065 1.00 0.00 N ATOM 0 H HIS B 66 5.180 -10.845 -7.766 1.00 0.00 H new ATOM 0 HA HIS B 66 5.690 -10.462 -9.908 1.00 0.00 H new ATOM 0 HB2 HIS B 66 3.533 -9.372 -9.845 1.00 0.00 H new ATOM 0 HB3 HIS B 66 4.220 -7.910 -9.166 1.00 0.00 H new ATOM 0 HD2 HIS B 66 3.915 -6.120 -11.207 1.00 0.00 H new ATOM 0 HE1 HIS B 66 5.546 -8.486 -14.327 1.00 0.00 H new ATOM 0 HE2 HIS B 66 4.619 -6.195 -13.715 1.00 0.00 H new ATOM 724 N HIS B 67 8.015 -9.445 -9.690 1.00 0.00 N ATOM 725 CA HIS B 67 9.309 -8.804 -9.895 1.00 0.00 C ATOM 726 C HIS B 67 10.416 -9.844 -10.033 1.00 0.00 C ATOM 727 O HIS B 67 11.367 -9.657 -10.791 1.00 0.00 O ATOM 728 CB HIS B 67 9.622 -7.859 -8.734 1.00 0.00 C ATOM 729 CG HIS B 67 10.129 -6.519 -9.172 1.00 0.00 C ATOM 730 ND1 HIS B 67 11.005 -6.353 -10.224 1.00 0.00 N ATOM 731 CD2 HIS B 67 9.876 -5.278 -8.695 1.00 0.00 C ATOM 732 CE1 HIS B 67 11.271 -5.068 -10.374 1.00 0.00 C ATOM 733 NE2 HIS B 67 10.598 -4.394 -9.459 1.00 0.00 N ATOM 0 H HIS B 67 8.049 -10.464 -9.664 1.00 0.00 H new ATOM 0 HA HIS B 67 9.260 -8.229 -10.820 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.721 -7.720 -8.137 1.00 0.00 H new ATOM 0 HB3 HIS B 67 10.365 -8.325 -8.087 1.00 0.00 H new ATOM 0 HD2 HIS B 67 9.227 -5.029 -7.868 1.00 0.00 H new ATOM 0 HE1 HIS B 67 11.927 -4.641 -11.118 1.00 0.00 H new ATOM 0 HE2 HIS B 67 10.612 -3.381 -9.339 1.00 0.00 H new ATOM 741 N PHE B 68 10.285 -10.942 -9.294 1.00 0.00 N ATOM 742 CA PHE B 68 11.275 -12.012 -9.333 1.00 0.00 C ATOM 743 C PHE B 68 11.440 -12.550 -10.751 1.00 0.00 C ATOM 744 O PHE B 68 12.558 -12.701 -11.243 1.00 0.00 O ATOM 745 CB PHE B 68 10.869 -13.145 -8.389 1.00 0.00 C ATOM 746 CG PHE B 68 11.999 -13.653 -7.540 1.00 0.00 C ATOM 747 CD1 PHE B 68 12.585 -12.838 -6.585 1.00 0.00 C ATOM 748 CD2 PHE B 68 12.476 -14.944 -7.698 1.00 0.00 C ATOM 749 CE1 PHE B 68 13.625 -13.302 -5.801 1.00 0.00 C ATOM 750 CE2 PHE B 68 13.515 -15.413 -6.917 1.00 0.00 C ATOM 751 CZ PHE B 68 14.091 -14.591 -5.969 1.00 0.00 C ATOM 0 H PHE B 68 9.503 -11.113 -8.662 1.00 0.00 H new ATOM 0 HA PHE B 68 12.230 -11.601 -9.007 1.00 0.00 H new ATOM 0 HB2 PHE B 68 10.066 -12.796 -7.740 1.00 0.00 H new ATOM 0 HB3 PHE B 68 10.467 -13.970 -8.977 1.00 0.00 H new ATOM 0 HD1 PHE B 68 12.225 -11.828 -6.451 1.00 0.00 H new ATOM 0 HD2 PHE B 68 12.031 -15.591 -8.440 1.00 0.00 H new ATOM 0 HE1 PHE B 68 14.072 -12.658 -5.059 1.00 0.00 H new ATOM 0 HE2 PHE B 68 13.876 -16.422 -7.048 1.00 0.00 H new ATOM 0 HZ PHE B 68 14.905 -14.956 -5.360 1.00 0.00 H new ATOM 761 N SER B 69 10.317 -12.837 -11.403 1.00 0.00 N ATOM 762 CA SER B 69 10.336 -13.362 -12.763 1.00 0.00 C ATOM 763 C SER B 69 10.811 -12.299 -13.749 1.00 0.00 C ATOM 764 O SER B 69 10.830 -11.110 -13.434 1.00 0.00 O ATOM 765 CB SER B 69 8.944 -13.857 -13.160 1.00 0.00 C ATOM 766 OG SER B 69 8.291 -14.476 -12.065 1.00 0.00 O ATOM 0 H SER B 69 9.383 -12.715 -11.011 1.00 0.00 H new ATOM 0 HA SER B 69 11.034 -14.199 -12.794 1.00 0.00 H new ATOM 0 HB2 SER B 69 8.345 -13.020 -13.518 1.00 0.00 H new ATOM 0 HB3 SER B 69 9.028 -14.565 -13.985 1.00 0.00 H new ATOM 0 HG SER B 69 7.403 -14.782 -12.344 1.00 0.00 H new ATOM 772 N GLU B 70 11.193 -12.739 -14.944 1.00 0.00 N ATOM 773 CA GLU B 70 11.669 -11.825 -15.977 1.00 0.00 C ATOM 774 C GLU B 70 10.755 -11.861 -17.198 1.00 0.00 C ATOM 775 O GLU B 70 11.129 -12.336 -18.271 1.00 0.00 O ATOM 776 CB GLU B 70 13.099 -12.183 -16.386 1.00 0.00 C ATOM 777 CG GLU B 70 14.034 -12.396 -15.207 1.00 0.00 C ATOM 778 CD GLU B 70 15.460 -12.679 -15.637 1.00 0.00 C ATOM 779 OE1 GLU B 70 15.686 -12.874 -16.850 1.00 0.00 O ATOM 780 OE2 GLU B 70 16.351 -12.707 -14.762 1.00 0.00 O ATOM 0 H GLU B 70 11.182 -13.721 -15.221 1.00 0.00 H new ATOM 0 HA GLU B 70 11.658 -10.815 -15.566 1.00 0.00 H new ATOM 0 HB2 GLU B 70 13.079 -13.089 -16.991 1.00 0.00 H new ATOM 0 HB3 GLU B 70 13.498 -11.388 -17.016 1.00 0.00 H new ATOM 0 HG2 GLU B 70 14.019 -11.510 -14.572 1.00 0.00 H new ATOM 0 HG3 GLU B 70 13.669 -13.227 -14.604 1.00 0.00 H new ATOM 787 N PRO B 71 9.527 -11.348 -17.033 1.00 0.00 N ATOM 788 CA PRO B 71 8.533 -11.310 -18.110 1.00 0.00 C ATOM 789 C PRO B 71 8.906 -10.318 -19.207 1.00 0.00 C ATOM 790 O PRO B 71 10.013 -9.781 -19.220 1.00 0.00 O ATOM 791 CB PRO B 71 7.255 -10.862 -17.398 1.00 0.00 C ATOM 792 CG PRO B 71 7.730 -10.106 -16.205 1.00 0.00 C ATOM 793 CD PRO B 71 9.013 -10.766 -15.782 1.00 0.00 C ATOM 0 HA PRO B 71 8.441 -12.272 -18.614 1.00 0.00 H new ATOM 0 HB2 PRO B 71 6.641 -10.236 -18.045 1.00 0.00 H new ATOM 0 HB3 PRO B 71 6.644 -11.716 -17.107 1.00 0.00 H new ATOM 0 HG2 PRO B 71 7.893 -9.056 -16.448 1.00 0.00 H new ATOM 0 HG3 PRO B 71 6.992 -10.137 -15.403 1.00 0.00 H new ATOM 0 HD2 PRO B 71 9.713 -10.047 -15.356 1.00 0.00 H new ATOM 0 HD3 PRO B 71 8.841 -11.530 -15.024 1.00 0.00 H new ATOM 801 N GLU B 72 7.975 -10.082 -20.126 1.00 0.00 N ATOM 802 CA GLU B 72 8.208 -9.155 -21.227 1.00 0.00 C ATOM 803 C GLU B 72 6.896 -8.781 -21.911 1.00 0.00 C ATOM 804 O GLU B 72 6.481 -7.622 -21.889 1.00 0.00 O ATOM 805 CB GLU B 72 9.169 -9.770 -22.247 1.00 0.00 C ATOM 806 CG GLU B 72 9.955 -8.740 -23.041 1.00 0.00 C ATOM 807 CD GLU B 72 10.826 -9.370 -24.111 1.00 0.00 C ATOM 808 OE1 GLU B 72 10.888 -10.616 -24.167 1.00 0.00 O ATOM 809 OE2 GLU B 72 11.445 -8.617 -24.892 1.00 0.00 O ATOM 0 H GLU B 72 7.054 -10.519 -20.130 1.00 0.00 H new ATOM 0 HA GLU B 72 8.655 -8.250 -20.816 1.00 0.00 H new ATOM 0 HB2 GLU B 72 9.867 -10.425 -21.726 1.00 0.00 H new ATOM 0 HB3 GLU B 72 8.602 -10.393 -22.938 1.00 0.00 H new ATOM 0 HG2 GLU B 72 9.262 -8.040 -23.507 1.00 0.00 H new ATOM 0 HG3 GLU B 72 10.581 -8.163 -22.361 1.00 0.00 H new ATOM 816 N ILE B 73 6.248 -9.771 -22.516 1.00 0.00 N ATOM 817 CA ILE B 73 4.984 -9.546 -23.205 1.00 0.00 C ATOM 818 C ILE B 73 4.004 -8.782 -22.322 1.00 0.00 C ATOM 819 O ILE B 73 3.449 -7.761 -22.729 1.00 0.00 O ATOM 820 CB ILE B 73 4.336 -10.874 -23.640 1.00 0.00 C ATOM 821 CG1 ILE B 73 5.277 -11.646 -24.568 1.00 0.00 C ATOM 822 CG2 ILE B 73 3.003 -10.614 -24.326 1.00 0.00 C ATOM 823 CD1 ILE B 73 4.958 -13.122 -24.660 1.00 0.00 C ATOM 0 H ILE B 73 6.578 -10.736 -22.543 1.00 0.00 H new ATOM 0 HA ILE B 73 5.210 -8.953 -24.091 1.00 0.00 H new ATOM 0 HB ILE B 73 4.153 -11.480 -22.752 1.00 0.00 H new ATOM 0 HG12 ILE B 73 5.229 -11.209 -25.566 1.00 0.00 H new ATOM 0 HG13 ILE B 73 6.301 -11.525 -24.216 1.00 0.00 H new ATOM 0 HG21 ILE B 73 2.558 -11.562 -24.627 1.00 0.00 H new ATOM 0 HG22 ILE B 73 2.333 -10.101 -23.636 1.00 0.00 H new ATOM 0 HG23 ILE B 73 3.162 -9.992 -25.207 1.00 0.00 H new ATOM 0 HD11 ILE B 73 5.665 -13.606 -25.334 1.00 0.00 H new ATOM 0 HD12 ILE B 73 5.034 -13.573 -23.671 1.00 0.00 H new ATOM 0 HD13 ILE B 73 3.945 -13.252 -25.041 1.00 0.00 H new ATOM 835 N THR B 74 3.797 -9.281 -21.107 1.00 0.00 N ATOM 836 CA THR B 74 2.885 -8.646 -20.165 1.00 0.00 C ATOM 837 C THR B 74 3.173 -7.154 -20.043 1.00 0.00 C ATOM 838 O THR B 74 2.262 -6.327 -20.115 1.00 0.00 O ATOM 839 CB THR B 74 2.980 -9.291 -18.769 1.00 0.00 C ATOM 840 OG1 THR B 74 2.685 -10.689 -18.855 1.00 0.00 O ATOM 841 CG2 THR B 74 2.018 -8.623 -17.798 1.00 0.00 C ATOM 0 H THR B 74 4.249 -10.124 -20.753 1.00 0.00 H new ATOM 0 HA THR B 74 1.877 -8.789 -20.555 1.00 0.00 H new ATOM 0 HB THR B 74 3.996 -9.157 -18.399 1.00 0.00 H new ATOM 0 HG1 THR B 74 2.749 -11.092 -17.964 1.00 0.00 H new ATOM 0 HG21 THR B 74 2.103 -9.095 -16.819 1.00 0.00 H new ATOM 0 HG22 THR B 74 2.264 -7.564 -17.713 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.997 -8.730 -18.165 1.00 0.00 H new ATOM 849 N LEU B 75 4.444 -6.814 -19.858 1.00 0.00 N ATOM 850 CA LEU B 75 4.852 -5.420 -19.727 1.00 0.00 C ATOM 851 C LEU B 75 4.403 -4.605 -20.936 1.00 0.00 C ATOM 852 O LEU B 75 3.818 -3.531 -20.791 1.00 0.00 O ATOM 853 CB LEU B 75 6.370 -5.325 -19.569 1.00 0.00 C ATOM 854 CG LEU B 75 6.973 -6.101 -18.398 1.00 0.00 C ATOM 855 CD1 LEU B 75 8.480 -6.227 -18.560 1.00 0.00 C ATOM 856 CD2 LEU B 75 6.631 -5.424 -17.078 1.00 0.00 C ATOM 0 H LEU B 75 5.210 -7.485 -19.795 1.00 0.00 H new ATOM 0 HA LEU B 75 4.374 -5.009 -18.838 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.834 -5.678 -20.490 1.00 0.00 H new ATOM 0 HB3 LEU B 75 6.639 -4.274 -19.459 1.00 0.00 H new ATOM 0 HG LEU B 75 6.544 -7.103 -18.392 1.00 0.00 H new ATOM 0 HD11 LEU B 75 8.891 -6.782 -17.717 1.00 0.00 H new ATOM 0 HD12 LEU B 75 8.703 -6.756 -19.487 1.00 0.00 H new ATOM 0 HD13 LEU B 75 8.927 -5.233 -18.593 1.00 0.00 H new ATOM 0 HD21 LEU B 75 7.068 -5.990 -16.255 1.00 0.00 H new ATOM 0 HD22 LEU B 75 7.031 -4.410 -17.075 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.548 -5.387 -16.958 1.00 0.00 H new ATOM 868 N ILE B 76 4.678 -5.124 -22.128 1.00 0.00 N ATOM 869 CA ILE B 76 4.300 -4.446 -23.362 1.00 0.00 C ATOM 870 C ILE B 76 2.802 -4.161 -23.395 1.00 0.00 C ATOM 871 O ILE B 76 2.377 -3.059 -23.743 1.00 0.00 O ATOM 872 CB ILE B 76 4.681 -5.277 -24.601 1.00 0.00 C ATOM 873 CG1 ILE B 76 6.169 -5.632 -24.566 1.00 0.00 C ATOM 874 CG2 ILE B 76 4.342 -4.517 -25.874 1.00 0.00 C ATOM 875 CD1 ILE B 76 7.079 -4.424 -24.591 1.00 0.00 C ATOM 0 H ILE B 76 5.161 -6.012 -22.265 1.00 0.00 H new ATOM 0 HA ILE B 76 4.848 -3.504 -23.385 1.00 0.00 H new ATOM 0 HB ILE B 76 4.105 -6.203 -24.590 1.00 0.00 H new ATOM 0 HG12 ILE B 76 6.375 -6.213 -23.667 1.00 0.00 H new ATOM 0 HG13 ILE B 76 6.402 -6.270 -25.418 1.00 0.00 H new ATOM 0 HG21 ILE B 76 4.617 -5.118 -26.741 1.00 0.00 H new ATOM 0 HG22 ILE B 76 3.272 -4.311 -25.901 1.00 0.00 H new ATOM 0 HG23 ILE B 76 4.893 -3.577 -25.894 1.00 0.00 H new ATOM 0 HD11 ILE B 76 8.118 -4.751 -24.564 1.00 0.00 H new ATOM 0 HD12 ILE B 76 6.902 -3.854 -25.503 1.00 0.00 H new ATOM 0 HD13 ILE B 76 6.874 -3.796 -23.724 1.00 0.00 H new ATOM 887 N ILE B 77 2.007 -5.161 -23.030 1.00 0.00 N ATOM 888 CA ILE B 77 0.557 -5.017 -23.016 1.00 0.00 C ATOM 889 C ILE B 77 0.116 -3.992 -21.976 1.00 0.00 C ATOM 890 O ILE B 77 -0.644 -3.072 -22.279 1.00 0.00 O ATOM 891 CB ILE B 77 -0.140 -6.360 -22.723 1.00 0.00 C ATOM 892 CG1 ILE B 77 0.160 -7.367 -23.835 1.00 0.00 C ATOM 893 CG2 ILE B 77 -1.640 -6.157 -22.575 1.00 0.00 C ATOM 894 CD1 ILE B 77 -0.517 -7.038 -25.147 1.00 0.00 C ATOM 0 H ILE B 77 2.343 -6.080 -22.740 1.00 0.00 H new ATOM 0 HA ILE B 77 0.265 -4.674 -24.008 1.00 0.00 H new ATOM 0 HB ILE B 77 0.247 -6.757 -21.784 1.00 0.00 H new ATOM 0 HG12 ILE B 77 1.238 -7.412 -23.993 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -0.156 -8.359 -23.511 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -2.118 -7.115 -22.368 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -1.835 -5.469 -21.752 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.044 -5.742 -23.498 1.00 0.00 H new ATOM 0 HD11 ILE B 77 -0.260 -7.794 -25.889 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -1.598 -7.022 -25.005 1.00 0.00 H new ATOM 0 HD13 ILE B 77 -0.182 -6.060 -25.494 1.00 0.00 H new ATOM 906 N PHE B 78 0.601 -4.155 -20.750 1.00 0.00 N ATOM 907 CA PHE B 78 0.258 -3.243 -19.665 1.00 0.00 C ATOM 908 C PHE B 78 0.559 -1.799 -20.053 1.00 0.00 C ATOM 909 O PHE B 78 -0.272 -0.910 -19.870 1.00 0.00 O ATOM 910 CB PHE B 78 1.030 -3.614 -18.396 1.00 0.00 C ATOM 911 CG PHE B 78 0.899 -2.598 -17.297 1.00 0.00 C ATOM 912 CD1 PHE B 78 -0.159 -2.656 -16.405 1.00 0.00 C ATOM 913 CD2 PHE B 78 1.834 -1.585 -17.157 1.00 0.00 C ATOM 914 CE1 PHE B 78 -0.282 -1.723 -15.392 1.00 0.00 C ATOM 915 CE2 PHE B 78 1.717 -0.650 -16.146 1.00 0.00 C ATOM 916 CZ PHE B 78 0.656 -0.719 -15.263 1.00 0.00 C ATOM 0 H PHE B 78 1.233 -4.910 -20.483 1.00 0.00 H new ATOM 0 HA PHE B 78 -0.811 -3.333 -19.472 1.00 0.00 H new ATOM 0 HB2 PHE B 78 0.675 -4.578 -18.033 1.00 0.00 H new ATOM 0 HB3 PHE B 78 2.084 -3.736 -18.644 1.00 0.00 H new ATOM 0 HD1 PHE B 78 -0.896 -3.439 -16.502 1.00 0.00 H new ATOM 0 HD2 PHE B 78 2.664 -1.525 -17.846 1.00 0.00 H new ATOM 0 HE1 PHE B 78 -1.111 -1.780 -14.702 1.00 0.00 H new ATOM 0 HE2 PHE B 78 2.454 0.133 -16.046 1.00 0.00 H new ATOM 0 HZ PHE B 78 0.561 0.012 -14.473 1.00 0.00 H new ATOM 926 N GLY B 79 1.754 -1.573 -20.589 1.00 0.00 N ATOM 927 CA GLY B 79 2.144 -0.235 -20.995 1.00 0.00 C ATOM 928 C GLY B 79 1.170 0.380 -21.979 1.00 0.00 C ATOM 929 O GLY B 79 0.650 1.473 -21.749 1.00 0.00 O ATOM 0 H GLY B 79 2.459 -2.292 -20.749 1.00 0.00 H new ATOM 0 HA2 GLY B 79 2.216 0.402 -20.114 1.00 0.00 H new ATOM 0 HA3 GLY B 79 3.136 -0.270 -21.445 1.00 0.00 H new ATOM 933 N VAL B 80 0.921 -0.321 -23.080 1.00 0.00 N ATOM 934 CA VAL B 80 0.003 0.163 -24.104 1.00 0.00 C ATOM 935 C VAL B 80 -1.403 0.342 -23.541 1.00 0.00 C ATOM 936 O VAL B 80 -2.126 1.258 -23.930 1.00 0.00 O ATOM 937 CB VAL B 80 -0.056 -0.799 -25.306 1.00 0.00 C ATOM 938 CG1 VAL B 80 -0.976 -0.250 -26.385 1.00 0.00 C ATOM 939 CG2 VAL B 80 1.340 -1.046 -25.859 1.00 0.00 C ATOM 0 H VAL B 80 1.342 -1.227 -23.286 1.00 0.00 H new ATOM 0 HA VAL B 80 0.383 1.128 -24.439 1.00 0.00 H new ATOM 0 HB VAL B 80 -0.462 -1.752 -24.967 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -1.005 -0.943 -27.226 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -1.981 -0.129 -25.980 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -0.603 0.716 -26.724 1.00 0.00 H new ATOM 0 HG21 VAL B 80 1.280 -1.728 -26.707 1.00 0.00 H new ATOM 0 HG22 VAL B 80 1.776 -0.101 -26.183 1.00 0.00 H new ATOM 0 HG23 VAL B 80 1.966 -1.487 -25.083 1.00 0.00 H new ATOM 949 N MET B 81 -1.783 -0.540 -22.622 1.00 0.00 N ATOM 950 CA MET B 81 -3.102 -0.478 -22.004 1.00 0.00 C ATOM 951 C MET B 81 -3.251 0.789 -21.167 1.00 0.00 C ATOM 952 O MET B 81 -4.273 1.471 -21.233 1.00 0.00 O ATOM 953 CB MET B 81 -3.338 -1.711 -21.130 1.00 0.00 C ATOM 954 CG MET B 81 -3.705 -2.956 -21.921 1.00 0.00 C ATOM 955 SD MET B 81 -3.982 -4.392 -20.868 1.00 0.00 S ATOM 956 CE MET B 81 -5.333 -3.808 -19.846 1.00 0.00 C ATOM 0 H MET B 81 -1.197 -1.305 -22.289 1.00 0.00 H new ATOM 0 HA MET B 81 -3.848 -0.457 -22.799 1.00 0.00 H new ATOM 0 HB2 MET B 81 -2.438 -1.912 -20.549 1.00 0.00 H new ATOM 0 HB3 MET B 81 -4.135 -1.495 -20.418 1.00 0.00 H new ATOM 0 HG2 MET B 81 -4.605 -2.759 -22.504 1.00 0.00 H new ATOM 0 HG3 MET B 81 -2.908 -3.179 -22.630 1.00 0.00 H new ATOM 0 HE1 MET B 81 -5.849 -4.660 -19.403 1.00 0.00 H new ATOM 0 HE2 MET B 81 -4.941 -3.170 -19.054 1.00 0.00 H new ATOM 0 HE3 MET B 81 -6.032 -3.239 -20.458 1.00 0.00 H new ATOM 966 N ALA B 82 -2.225 1.097 -20.381 1.00 0.00 N ATOM 967 CA ALA B 82 -2.242 2.283 -19.533 1.00 0.00 C ATOM 968 C ALA B 82 -2.242 3.557 -20.370 1.00 0.00 C ATOM 969 O ALA B 82 -3.014 4.480 -20.115 1.00 0.00 O ATOM 970 CB ALA B 82 -1.052 2.271 -18.585 1.00 0.00 C ATOM 0 H ALA B 82 -1.372 0.542 -20.314 1.00 0.00 H new ATOM 0 HA ALA B 82 -3.160 2.266 -18.946 1.00 0.00 H new ATOM 0 HB1 ALA B 82 -1.077 3.162 -17.958 1.00 0.00 H new ATOM 0 HB2 ALA B 82 -1.098 1.383 -17.955 1.00 0.00 H new ATOM 0 HB3 ALA B 82 -0.127 2.260 -19.162 1.00 0.00 H new ATOM 976 N GLY B 83 -1.368 3.601 -21.372 1.00 0.00 N ATOM 977 CA GLY B 83 -1.283 4.767 -22.231 1.00 0.00 C ATOM 978 C GLY B 83 -2.566 5.016 -23.000 1.00 0.00 C ATOM 979 O GLY B 83 -3.119 6.115 -22.960 1.00 0.00 O ATOM 0 H GLY B 83 -0.718 2.850 -21.603 1.00 0.00 H new ATOM 0 HA2 GLY B 83 -1.050 5.643 -21.627 1.00 0.00 H new ATOM 0 HA3 GLY B 83 -0.461 4.637 -22.935 1.00 0.00 H new ATOM 983 N VAL B 84 -3.040 3.993 -23.704 1.00 0.00 N ATOM 984 CA VAL B 84 -4.265 4.105 -24.486 1.00 0.00 C ATOM 985 C VAL B 84 -5.416 4.626 -23.633 1.00 0.00 C ATOM 986 O VAL B 84 -6.009 5.662 -23.937 1.00 0.00 O ATOM 987 CB VAL B 84 -4.667 2.750 -25.098 1.00 0.00 C ATOM 988 CG1 VAL B 84 -6.056 2.833 -25.713 1.00 0.00 C ATOM 989 CG2 VAL B 84 -3.642 2.309 -26.132 1.00 0.00 C ATOM 0 H VAL B 84 -2.594 3.077 -23.749 1.00 0.00 H new ATOM 0 HA VAL B 84 -4.063 4.813 -25.290 1.00 0.00 H new ATOM 0 HB VAL B 84 -4.692 2.004 -24.303 1.00 0.00 H new ATOM 0 HG11 VAL B 84 -6.323 1.867 -26.140 1.00 0.00 H new ATOM 0 HG12 VAL B 84 -6.779 3.102 -24.943 1.00 0.00 H new ATOM 0 HG13 VAL B 84 -6.062 3.591 -26.497 1.00 0.00 H new ATOM 0 HG21 VAL B 84 -3.941 1.350 -26.555 1.00 0.00 H new ATOM 0 HG22 VAL B 84 -3.583 3.053 -26.926 1.00 0.00 H new ATOM 0 HG23 VAL B 84 -2.666 2.208 -25.657 1.00 0.00 H new ATOM 999 N ILE B 85 -5.727 3.902 -22.563 1.00 0.00 N ATOM 1000 CA ILE B 85 -6.806 4.292 -21.664 1.00 0.00 C ATOM 1001 C ILE B 85 -6.601 5.711 -21.142 1.00 0.00 C ATOM 1002 O ILE B 85 -7.548 6.489 -21.039 1.00 0.00 O ATOM 1003 CB ILE B 85 -6.918 3.329 -20.468 1.00 0.00 C ATOM 1004 CG1 ILE B 85 -7.252 1.916 -20.953 1.00 0.00 C ATOM 1005 CG2 ILE B 85 -7.973 3.821 -19.488 1.00 0.00 C ATOM 1006 CD1 ILE B 85 -8.616 1.806 -21.598 1.00 0.00 C ATOM 0 H ILE B 85 -5.247 3.042 -22.298 1.00 0.00 H new ATOM 0 HA ILE B 85 -7.729 4.249 -22.242 1.00 0.00 H new ATOM 0 HB ILE B 85 -5.958 3.299 -19.953 1.00 0.00 H new ATOM 0 HG12 ILE B 85 -6.494 1.597 -21.668 1.00 0.00 H new ATOM 0 HG13 ILE B 85 -7.202 1.229 -20.108 1.00 0.00 H new ATOM 0 HG21 ILE B 85 -8.040 3.129 -18.648 1.00 0.00 H new ATOM 0 HG22 ILE B 85 -7.697 4.810 -19.122 1.00 0.00 H new ATOM 0 HG23 ILE B 85 -8.939 3.876 -19.990 1.00 0.00 H new ATOM 0 HD11 ILE B 85 -8.785 0.778 -21.918 1.00 0.00 H new ATOM 0 HD12 ILE B 85 -9.383 2.094 -20.879 1.00 0.00 H new ATOM 0 HD13 ILE B 85 -8.664 2.467 -22.463 1.00 0.00 H new ATOM 1018 N GLY B 86 -5.355 6.041 -20.815 1.00 0.00 N ATOM 1019 CA GLY B 86 -5.047 7.366 -20.309 1.00 0.00 C ATOM 1020 C GLY B 86 -5.430 8.462 -21.284 1.00 0.00 C ATOM 1021 O GLY B 86 -6.126 9.411 -20.922 1.00 0.00 O ATOM 0 H GLY B 86 -4.554 5.415 -20.891 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -5.572 7.523 -19.366 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -3.980 7.431 -20.095 1.00 0.00 H new ATOM 1025 N THR B 87 -4.972 8.333 -22.525 1.00 0.00 N ATOM 1026 CA THR B 87 -5.268 9.322 -23.555 1.00 0.00 C ATOM 1027 C THR B 87 -6.772 9.494 -23.736 1.00 0.00 C ATOM 1028 O THR B 87 -7.268 10.614 -23.858 1.00 0.00 O ATOM 1029 CB THR B 87 -4.641 8.930 -24.906 1.00 0.00 C ATOM 1030 OG1 THR B 87 -3.329 8.396 -24.701 1.00 0.00 O ATOM 1031 CG2 THR B 87 -4.565 10.132 -25.836 1.00 0.00 C ATOM 0 H THR B 87 -4.395 7.554 -22.842 1.00 0.00 H new ATOM 0 HA THR B 87 -4.835 10.265 -23.222 1.00 0.00 H new ATOM 0 HB THR B 87 -5.273 8.172 -25.368 1.00 0.00 H new ATOM 0 HG1 THR B 87 -2.829 8.980 -24.093 1.00 0.00 H new ATOM 0 HG21 THR B 87 -4.119 9.831 -26.784 1.00 0.00 H new ATOM 0 HG22 THR B 87 -5.569 10.518 -26.014 1.00 0.00 H new ATOM 0 HG23 THR B 87 -3.953 10.909 -25.377 1.00 0.00 H new ATOM 1039 N ILE B 88 -7.493 8.378 -23.752 1.00 0.00 N ATOM 1040 CA ILE B 88 -8.941 8.406 -23.917 1.00 0.00 C ATOM 1041 C ILE B 88 -9.597 9.285 -22.858 1.00 0.00 C ATOM 1042 O ILE B 88 -10.388 10.175 -23.176 1.00 0.00 O ATOM 1043 CB ILE B 88 -9.544 6.991 -23.839 1.00 0.00 C ATOM 1044 CG1 ILE B 88 -9.049 6.137 -25.008 1.00 0.00 C ATOM 1045 CG2 ILE B 88 -11.064 7.063 -23.836 1.00 0.00 C ATOM 1046 CD1 ILE B 88 -9.532 6.620 -26.357 1.00 0.00 C ATOM 0 H ILE B 88 -7.098 7.443 -23.653 1.00 0.00 H new ATOM 0 HA ILE B 88 -9.138 8.822 -24.905 1.00 0.00 H new ATOM 0 HB ILE B 88 -9.219 6.524 -22.909 1.00 0.00 H new ATOM 0 HG12 ILE B 88 -7.959 6.127 -25.004 1.00 0.00 H new ATOM 0 HG13 ILE B 88 -9.378 5.108 -24.861 1.00 0.00 H new ATOM 0 HG21 ILE B 88 -11.476 6.055 -23.781 1.00 0.00 H new ATOM 0 HG22 ILE B 88 -11.399 7.640 -22.974 1.00 0.00 H new ATOM 0 HG23 ILE B 88 -11.407 7.545 -24.751 1.00 0.00 H new ATOM 0 HD11 ILE B 88 -9.142 5.967 -27.138 1.00 0.00 H new ATOM 0 HD12 ILE B 88 -10.622 6.604 -26.381 1.00 0.00 H new ATOM 0 HD13 ILE B 88 -9.181 7.638 -26.526 1.00 0.00 H new ATOM 1058 N LEU B 89 -9.263 9.032 -21.597 1.00 0.00 N ATOM 1059 CA LEU B 89 -9.818 9.802 -20.489 1.00 0.00 C ATOM 1060 C LEU B 89 -9.538 11.291 -20.667 1.00 0.00 C ATOM 1061 O LEU B 89 -10.452 12.115 -20.627 1.00 0.00 O ATOM 1062 CB LEU B 89 -9.235 9.316 -19.162 1.00 0.00 C ATOM 1063 CG LEU B 89 -9.786 7.992 -18.632 1.00 0.00 C ATOM 1064 CD1 LEU B 89 -9.025 7.557 -17.388 1.00 0.00 C ATOM 1065 CD2 LEU B 89 -11.273 8.114 -18.334 1.00 0.00 C ATOM 0 H LEU B 89 -8.611 8.300 -21.316 1.00 0.00 H new ATOM 0 HA LEU B 89 -10.898 9.653 -20.480 1.00 0.00 H new ATOM 0 HB2 LEU B 89 -8.156 9.217 -19.277 1.00 0.00 H new ATOM 0 HB3 LEU B 89 -9.407 10.085 -18.409 1.00 0.00 H new ATOM 0 HG LEU B 89 -9.651 7.231 -19.400 1.00 0.00 H new ATOM 0 HD11 LEU B 89 -9.431 6.613 -17.025 1.00 0.00 H new ATOM 0 HD12 LEU B 89 -7.971 7.428 -17.633 1.00 0.00 H new ATOM 0 HD13 LEU B 89 -9.128 8.318 -16.614 1.00 0.00 H new ATOM 0 HD21 LEU B 89 -11.648 7.162 -17.958 1.00 0.00 H new ATOM 0 HD22 LEU B 89 -11.431 8.889 -17.584 1.00 0.00 H new ATOM 0 HD23 LEU B 89 -11.806 8.379 -19.247 1.00 0.00 H new ATOM 1077 N LEU B 90 -8.268 11.629 -20.863 1.00 0.00 N ATOM 1078 CA LEU B 90 -7.866 13.019 -21.049 1.00 0.00 C ATOM 1079 C LEU B 90 -8.604 13.646 -22.228 1.00 0.00 C ATOM 1080 O LEU B 90 -9.190 14.722 -22.105 1.00 0.00 O ATOM 1081 CB LEU B 90 -6.356 13.109 -21.272 1.00 0.00 C ATOM 1082 CG LEU B 90 -5.477 12.623 -20.119 1.00 0.00 C ATOM 1083 CD1 LEU B 90 -4.142 12.117 -20.641 1.00 0.00 C ATOM 1084 CD2 LEU B 90 -5.267 13.736 -19.102 1.00 0.00 C ATOM 0 H LEU B 90 -7.499 10.960 -20.897 1.00 0.00 H new ATOM 0 HA LEU B 90 -8.127 13.570 -20.146 1.00 0.00 H new ATOM 0 HB2 LEU B 90 -6.105 12.532 -22.162 1.00 0.00 H new ATOM 0 HB3 LEU B 90 -6.101 14.148 -21.484 1.00 0.00 H new ATOM 0 HG LEU B 90 -5.986 11.796 -19.624 1.00 0.00 H new ATOM 0 HD11 LEU B 90 -3.531 11.776 -19.806 1.00 0.00 H new ATOM 0 HD12 LEU B 90 -4.311 11.289 -21.330 1.00 0.00 H new ATOM 0 HD13 LEU B 90 -3.626 12.923 -21.163 1.00 0.00 H new ATOM 0 HD21 LEU B 90 -4.639 13.372 -18.289 1.00 0.00 H new ATOM 0 HD22 LEU B 90 -4.780 14.583 -19.585 1.00 0.00 H new ATOM 0 HD23 LEU B 90 -6.231 14.051 -18.703 1.00 0.00 H new ATOM 1096 N ILE B 91 -8.571 12.966 -23.369 1.00 0.00 N ATOM 1097 CA ILE B 91 -9.239 13.455 -24.569 1.00 0.00 C ATOM 1098 C ILE B 91 -10.728 13.672 -24.319 1.00 0.00 C ATOM 1099 O ILE B 91 -11.277 14.722 -24.653 1.00 0.00 O ATOM 1100 CB ILE B 91 -9.066 12.479 -25.747 1.00 0.00 C ATOM 1101 CG1 ILE B 91 -7.604 12.446 -26.199 1.00 0.00 C ATOM 1102 CG2 ILE B 91 -9.974 12.875 -26.902 1.00 0.00 C ATOM 1103 CD1 ILE B 91 -7.289 11.308 -27.144 1.00 0.00 C ATOM 0 H ILE B 91 -8.089 12.075 -23.488 1.00 0.00 H new ATOM 0 HA ILE B 91 -8.772 14.406 -24.824 1.00 0.00 H new ATOM 0 HB ILE B 91 -9.348 11.480 -25.416 1.00 0.00 H new ATOM 0 HG12 ILE B 91 -7.362 13.390 -26.687 1.00 0.00 H new ATOM 0 HG13 ILE B 91 -6.963 12.367 -25.321 1.00 0.00 H new ATOM 0 HG21 ILE B 91 -9.840 12.175 -27.727 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -11.013 12.852 -26.572 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -9.721 13.881 -27.235 1.00 0.00 H new ATOM 0 HD11 ILE B 91 -6.236 11.347 -27.422 1.00 0.00 H new ATOM 0 HD12 ILE B 91 -7.499 10.358 -26.653 1.00 0.00 H new ATOM 0 HD13 ILE B 91 -7.904 11.397 -28.039 1.00 0.00 H new ATOM 1115 N SER B 92 -11.376 12.674 -23.727 1.00 0.00 N ATOM 1116 CA SER B 92 -12.802 12.755 -23.434 1.00 0.00 C ATOM 1117 C SER B 92 -13.115 13.993 -22.600 1.00 0.00 C ATOM 1118 O SER B 92 -14.202 14.563 -22.699 1.00 0.00 O ATOM 1119 CB SER B 92 -13.264 11.497 -22.695 1.00 0.00 C ATOM 1120 OG SER B 92 -14.492 11.723 -22.024 1.00 0.00 O ATOM 0 H SER B 92 -10.936 11.799 -23.441 1.00 0.00 H new ATOM 0 HA SER B 92 -13.339 12.830 -24.379 1.00 0.00 H new ATOM 0 HB2 SER B 92 -13.378 10.676 -23.403 1.00 0.00 H new ATOM 0 HB3 SER B 92 -12.503 11.194 -21.976 1.00 0.00 H new ATOM 0 HG SER B 92 -14.767 10.904 -21.561 1.00 0.00 H new ATOM 1126 N TYR B 93 -12.156 14.403 -21.778 1.00 0.00 N ATOM 1127 CA TYR B 93 -12.329 15.572 -20.923 1.00 0.00 C ATOM 1128 C TYR B 93 -12.291 16.857 -21.744 1.00 0.00 C ATOM 1129 O TYR B 93 -13.021 17.807 -21.465 1.00 0.00 O ATOM 1130 CB TYR B 93 -11.242 15.609 -19.848 1.00 0.00 C ATOM 1131 CG TYR B 93 -11.696 15.070 -18.509 1.00 0.00 C ATOM 1132 CD1 TYR B 93 -12.276 13.813 -18.405 1.00 0.00 C ATOM 1133 CD2 TYR B 93 -11.542 15.819 -17.349 1.00 0.00 C ATOM 1134 CE1 TYR B 93 -12.693 13.317 -17.185 1.00 0.00 C ATOM 1135 CE2 TYR B 93 -11.955 15.332 -16.124 1.00 0.00 C ATOM 1136 CZ TYR B 93 -12.530 14.080 -16.047 1.00 0.00 C ATOM 1137 OH TYR B 93 -12.942 13.590 -14.829 1.00 0.00 O ATOM 0 H TYR B 93 -11.250 13.943 -21.685 1.00 0.00 H new ATOM 0 HA TYR B 93 -13.304 15.498 -20.442 1.00 0.00 H new ATOM 0 HB2 TYR B 93 -10.384 15.031 -20.191 1.00 0.00 H new ATOM 0 HB3 TYR B 93 -10.904 16.637 -19.721 1.00 0.00 H new ATOM 0 HD1 TYR B 93 -12.403 13.212 -19.293 1.00 0.00 H new ATOM 0 HD2 TYR B 93 -11.092 16.799 -17.406 1.00 0.00 H new ATOM 0 HE1 TYR B 93 -13.144 12.338 -17.122 1.00 0.00 H new ATOM 0 HE2 TYR B 93 -11.829 15.928 -15.232 1.00 0.00 H new ATOM 0 HH TYR B 93 -12.754 14.251 -14.130 1.00 0.00 H new ATOM 1147 N GLY B 94 -11.435 16.878 -22.761 1.00 0.00 N ATOM 1148 CA GLY B 94 -11.317 18.050 -23.608 1.00 0.00 C ATOM 1149 C GLY B 94 -12.587 18.332 -24.387 1.00 0.00 C ATOM 1150 O GLY B 94 -12.958 19.489 -24.583 1.00 0.00 O ATOM 0 H GLY B 94 -10.821 16.104 -23.013 1.00 0.00 H new ATOM 0 HA2 GLY B 94 -11.072 18.916 -22.993 1.00 0.00 H new ATOM 0 HA3 GLY B 94 -10.491 17.909 -24.305 1.00 0.00 H new ATOM 1154 N ILE B 95 -13.253 17.272 -24.833 1.00 0.00 N ATOM 1155 CA ILE B 95 -14.487 17.412 -25.595 1.00 0.00 C ATOM 1156 C ILE B 95 -15.594 18.022 -24.742 1.00 0.00 C ATOM 1157 O ILE B 95 -16.453 18.746 -25.246 1.00 0.00 O ATOM 1158 CB ILE B 95 -14.966 16.056 -26.145 1.00 0.00 C ATOM 1159 CG1 ILE B 95 -13.897 15.441 -27.050 1.00 0.00 C ATOM 1160 CG2 ILE B 95 -16.276 16.223 -26.901 1.00 0.00 C ATOM 1161 CD1 ILE B 95 -14.091 13.961 -27.296 1.00 0.00 C ATOM 0 H ILE B 95 -12.959 16.308 -24.680 1.00 0.00 H new ATOM 0 HA ILE B 95 -14.268 18.077 -26.431 1.00 0.00 H new ATOM 0 HB ILE B 95 -15.137 15.381 -25.306 1.00 0.00 H new ATOM 0 HG12 ILE B 95 -13.898 15.963 -28.007 1.00 0.00 H new ATOM 0 HG13 ILE B 95 -12.917 15.601 -26.601 1.00 0.00 H new ATOM 0 HG21 ILE B 95 -16.601 15.256 -27.284 1.00 0.00 H new ATOM 0 HG22 ILE B 95 -17.036 16.621 -26.229 1.00 0.00 H new ATOM 0 HG23 ILE B 95 -16.131 16.912 -27.733 1.00 0.00 H new ATOM 0 HD11 ILE B 95 -13.297 13.593 -27.946 1.00 0.00 H new ATOM 0 HD12 ILE B 95 -14.060 13.427 -26.346 1.00 0.00 H new ATOM 0 HD13 ILE B 95 -15.057 13.795 -27.774 1.00 0.00 H new ATOM 1173 N ARG B 96 -15.566 17.725 -23.447 1.00 0.00 N ATOM 1174 CA ARG B 96 -16.567 18.244 -22.522 1.00 0.00 C ATOM 1175 C ARG B 96 -16.313 19.718 -22.217 1.00 0.00 C ATOM 1176 O ARG B 96 -17.241 20.526 -22.191 1.00 0.00 O ATOM 1177 CB ARG B 96 -16.562 17.435 -21.224 1.00 0.00 C ATOM 1178 CG ARG B 96 -17.943 17.248 -20.617 1.00 0.00 C ATOM 1179 CD ARG B 96 -18.197 18.242 -19.494 1.00 0.00 C ATOM 1180 NE ARG B 96 -19.622 18.500 -19.304 1.00 0.00 N ATOM 1181 CZ ARG B 96 -20.128 19.051 -18.207 1.00 0.00 C ATOM 1182 NH1 ARG B 96 -19.331 19.399 -17.207 1.00 0.00 N ATOM 1183 NH2 ARG B 96 -21.436 19.255 -18.109 1.00 0.00 N ATOM 0 H ARG B 96 -14.861 17.128 -23.014 1.00 0.00 H new ATOM 0 HA ARG B 96 -17.545 18.152 -22.995 1.00 0.00 H new ATOM 0 HB2 ARG B 96 -16.124 16.456 -21.418 1.00 0.00 H new ATOM 0 HB3 ARG B 96 -15.920 17.933 -20.498 1.00 0.00 H new ATOM 0 HG2 ARG B 96 -18.701 17.370 -21.391 1.00 0.00 H new ATOM 0 HG3 ARG B 96 -18.039 16.232 -20.234 1.00 0.00 H new ATOM 0 HD2 ARG B 96 -17.771 17.858 -18.567 1.00 0.00 H new ATOM 0 HD3 ARG B 96 -17.685 19.179 -19.716 1.00 0.00 H new ATOM 0 HE ARG B 96 -20.263 18.243 -20.055 1.00 0.00 H new ATOM 0 HH11 ARG B 96 -18.325 19.244 -17.279 1.00 0.00 H new ATOM 0 HH12 ARG B 96 -19.723 19.822 -16.366 1.00 0.00 H new ATOM 0 HH21 ARG B 96 -22.053 18.988 -18.877 1.00 0.00 H new ATOM 0 HH22 ARG B 96 -21.824 19.678 -17.266 1.00 0.00 H new ATOM 1197 N ARG B 97 -15.049 20.059 -21.986 1.00 0.00 N ATOM 1198 CA ARG B 97 -14.673 21.434 -21.681 1.00 0.00 C ATOM 1199 C ARG B 97 -15.477 21.968 -20.499 1.00 0.00 C ATOM 1200 O ARG B 97 -15.697 23.174 -20.378 1.00 0.00 O ATOM 1201 CB ARG B 97 -14.890 22.328 -22.903 1.00 0.00 C ATOM 1202 CG ARG B 97 -14.008 23.566 -22.916 1.00 0.00 C ATOM 1203 CD ARG B 97 -14.804 24.820 -22.589 1.00 0.00 C ATOM 1204 NE ARG B 97 -14.327 25.982 -23.334 1.00 0.00 N ATOM 1205 CZ ARG B 97 -14.666 26.238 -24.593 1.00 0.00 C ATOM 1206 NH1 ARG B 97 -15.481 25.418 -25.243 1.00 0.00 N ATOM 1207 NH2 ARG B 97 -14.190 27.315 -25.203 1.00 0.00 N ATOM 0 H ARG B 97 -14.269 19.402 -22.004 1.00 0.00 H new ATOM 0 HA ARG B 97 -13.616 21.444 -21.415 1.00 0.00 H new ATOM 0 HB2 ARG B 97 -14.700 21.747 -23.806 1.00 0.00 H new ATOM 0 HB3 ARG B 97 -15.935 22.636 -22.936 1.00 0.00 H new ATOM 0 HG2 ARG B 97 -13.201 23.447 -22.193 1.00 0.00 H new ATOM 0 HG3 ARG B 97 -13.544 23.673 -23.896 1.00 0.00 H new ATOM 0 HD2 ARG B 97 -15.856 24.651 -22.817 1.00 0.00 H new ATOM 0 HD3 ARG B 97 -14.738 25.023 -21.520 1.00 0.00 H new ATOM 0 HE ARG B 97 -13.699 26.633 -22.862 1.00 0.00 H new ATOM 0 HH11 ARG B 97 -15.849 24.589 -24.776 1.00 0.00 H new ATOM 0 HH12 ARG B 97 -15.740 25.616 -26.209 1.00 0.00 H new ATOM 0 HH21 ARG B 97 -13.563 27.948 -24.706 1.00 0.00 H new ATOM 0 HH22 ARG B 97 -14.451 27.511 -26.169 1.00 0.00 H new ATOM 1221 N LEU B 98 -15.912 21.063 -19.629 1.00 0.00 N ATOM 1222 CA LEU B 98 -16.692 21.442 -18.456 1.00 0.00 C ATOM 1223 C LEU B 98 -17.868 22.330 -18.848 1.00 0.00 C ATOM 1224 O LEU B 98 -18.984 21.849 -19.045 1.00 0.00 O ATOM 1225 CB LEU B 98 -15.805 22.168 -17.443 1.00 0.00 C ATOM 1226 CG LEU B 98 -16.479 22.578 -16.133 1.00 0.00 C ATOM 1227 CD1 LEU B 98 -17.181 21.387 -15.498 1.00 0.00 C ATOM 1228 CD2 LEU B 98 -15.460 23.173 -15.172 1.00 0.00 C ATOM 0 H LEU B 98 -15.738 20.062 -19.714 1.00 0.00 H new ATOM 0 HA LEU B 98 -17.084 20.532 -18.001 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -14.957 21.525 -17.206 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -15.404 23.063 -17.918 1.00 0.00 H new ATOM 0 HG LEU B 98 -17.227 23.339 -16.355 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -17.655 21.698 -14.567 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -17.940 21.005 -16.181 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -16.452 20.603 -15.290 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -15.958 23.459 -14.245 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -14.688 22.434 -14.956 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -15.003 24.053 -15.625 1.00 0.00 H new TER 1240 LEU B 98