USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -6.06! C(o=-6.1!,f=-6.3!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -157:sc= -0.0749 (180deg=-0.744) USER MOD Single : A 20 GLN : amide:sc= -0.835 K(o=-0.83,f=-3.7!) USER MOD Single : A 22 CYS SG : rot 148:sc= -0.563 USER MOD Single : A 25 HIS : no HD1:sc= -0.782 K(o=-0.78,f=-0.23) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= -0.0786 (180deg=-0.515) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.394 K(o=-0.39,f=-8!) USER MOD Single : A 65 GLN : amide:sc= -3.16! K(o=-3.2!,f=-0.87) USER MOD Single : A 66 MET CE :methyl 143:sc= -0.353 (180deg=-3.61!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.995 K(o=-1,f=-0.3) USER MOD Single : A 73 LYS NZ :NH3+ -135:sc= -1.84 (180deg=-4.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -136:sc= 0.116 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 39:sc= 0.276 USER MOD Single : A 105 LYS NZ :NH3+ -159:sc= -0.0805 (180deg=-0.658) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -52.207 -31.613 59.934 1.00 0.00 N ATOM 11 CA VAL A 2 -51.936 -32.636 61.000 1.00 0.00 C ATOM 12 C VAL A 2 -52.717 -33.901 60.663 1.00 0.00 C ATOM 13 O VAL A 2 -53.766 -33.840 60.055 1.00 0.00 O ATOM 14 CB VAL A 2 -52.404 -32.092 62.361 1.00 0.00 C ATOM 15 CG1 VAL A 2 -53.920 -31.798 62.326 1.00 0.00 C ATOM 16 CG2 VAL A 2 -52.175 -33.152 63.454 1.00 0.00 C ATOM 0 HA VAL A 2 -50.869 -32.855 61.049 1.00 0.00 H new ATOM 0 HB VAL A 2 -51.840 -31.183 62.572 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -54.239 -31.414 63.295 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -54.129 -31.056 61.555 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -54.464 -32.716 62.103 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -52.508 -32.761 64.415 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -52.741 -34.052 63.212 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -51.114 -33.394 63.509 1.00 0.00 H new ATOM 26 N GLN A 3 -52.194 -35.031 61.063 1.00 0.00 N ATOM 27 CA GLN A 3 -52.888 -36.331 60.784 1.00 0.00 C ATOM 28 C GLN A 3 -53.142 -36.990 62.131 1.00 0.00 C ATOM 29 O GLN A 3 -52.375 -36.834 63.060 1.00 0.00 O ATOM 30 CB GLN A 3 -51.997 -37.235 59.931 1.00 0.00 C ATOM 31 CG GLN A 3 -51.795 -36.607 58.545 1.00 0.00 C ATOM 32 CD GLN A 3 -51.030 -35.287 58.670 1.00 0.00 C ATOM 33 OE1 GLN A 3 -49.918 -35.243 59.157 1.00 0.00 O ATOM 34 NE2 GLN A 3 -51.592 -34.190 58.240 1.00 0.00 N ATOM 0 H GLN A 3 -51.314 -35.113 61.572 1.00 0.00 H new ATOM 0 HA GLN A 3 -53.818 -36.164 60.240 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -51.033 -37.377 60.420 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -52.452 -38.220 59.831 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -51.245 -37.295 57.902 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -52.762 -36.432 58.072 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -52.526 -34.222 57.830 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -51.098 -33.301 58.314 1.00 0.00 H new ATOM 43 N VAL A 4 -54.223 -37.722 62.199 1.00 0.00 N ATOM 44 CA VAL A 4 -54.612 -38.436 63.459 1.00 0.00 C ATOM 45 C VAL A 4 -54.786 -39.925 63.155 1.00 0.00 C ATOM 46 O VAL A 4 -55.724 -40.323 62.493 1.00 0.00 O ATOM 47 CB VAL A 4 -55.934 -37.861 63.975 1.00 0.00 C ATOM 48 CG1 VAL A 4 -56.321 -38.557 65.290 1.00 0.00 C ATOM 49 CG2 VAL A 4 -55.741 -36.376 64.253 1.00 0.00 C ATOM 0 H VAL A 4 -54.867 -37.860 61.420 1.00 0.00 H new ATOM 0 HA VAL A 4 -53.838 -38.305 64.216 1.00 0.00 H new ATOM 0 HB VAL A 4 -56.716 -38.017 63.232 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -57.262 -38.146 65.656 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -56.435 -39.627 65.115 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -55.540 -38.392 66.033 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -56.674 -35.951 64.622 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -54.961 -36.245 65.003 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -55.449 -35.869 63.333 1.00 0.00 H new ATOM 59 N GLU A 5 -53.873 -40.716 63.647 1.00 0.00 N ATOM 60 CA GLU A 5 -53.920 -42.198 63.428 1.00 0.00 C ATOM 61 C GLU A 5 -54.259 -42.802 64.789 1.00 0.00 C ATOM 62 O GLU A 5 -53.397 -43.001 65.623 1.00 0.00 O ATOM 63 CB GLU A 5 -52.550 -42.678 62.950 1.00 0.00 C ATOM 64 CG GLU A 5 -52.205 -41.976 61.630 1.00 0.00 C ATOM 65 CD GLU A 5 -53.229 -42.369 60.563 1.00 0.00 C ATOM 66 OE1 GLU A 5 -53.304 -43.558 60.299 1.00 0.00 O ATOM 67 OE2 GLU A 5 -53.876 -41.457 60.076 1.00 0.00 O ATOM 0 H GLU A 5 -53.080 -40.396 64.203 1.00 0.00 H new ATOM 0 HA GLU A 5 -54.653 -42.488 62.675 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -51.792 -42.459 63.702 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -52.558 -43.759 62.810 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -52.205 -40.895 61.769 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -51.202 -42.256 61.308 1.00 0.00 H new ATOM 74 N THR A 6 -55.520 -43.082 64.978 1.00 0.00 N ATOM 75 CA THR A 6 -55.941 -43.666 66.280 1.00 0.00 C ATOM 76 C THR A 6 -55.451 -45.099 66.467 1.00 0.00 C ATOM 77 O THR A 6 -55.167 -45.812 65.526 1.00 0.00 O ATOM 78 CB THR A 6 -57.472 -43.620 66.349 1.00 0.00 C ATOM 79 OG1 THR A 6 -57.781 -42.242 66.194 1.00 0.00 O ATOM 80 CG2 THR A 6 -57.984 -43.949 67.759 1.00 0.00 C ATOM 0 H THR A 6 -56.266 -42.934 64.298 1.00 0.00 H new ATOM 0 HA THR A 6 -55.493 -43.080 67.083 1.00 0.00 H new ATOM 0 HB THR A 6 -57.898 -44.311 65.622 1.00 0.00 H new ATOM 0 HG1 THR A 6 -58.753 -42.119 66.225 1.00 0.00 H new ATOM 0 HG21 THR A 6 -59.073 -43.907 67.770 1.00 0.00 H new ATOM 0 HG22 THR A 6 -57.657 -44.950 68.041 1.00 0.00 H new ATOM 0 HG23 THR A 6 -57.586 -43.224 68.469 1.00 0.00 H new ATOM 88 N ILE A 7 -55.371 -45.465 67.720 1.00 0.00 N ATOM 89 CA ILE A 7 -54.913 -46.827 68.134 1.00 0.00 C ATOM 90 C ILE A 7 -56.038 -47.452 68.953 1.00 0.00 C ATOM 91 O ILE A 7 -56.510 -48.533 68.659 1.00 0.00 O ATOM 92 CB ILE A 7 -53.644 -46.698 68.996 1.00 0.00 C ATOM 93 CG1 ILE A 7 -52.566 -45.986 68.147 1.00 0.00 C ATOM 94 CG2 ILE A 7 -53.168 -48.124 69.366 1.00 0.00 C ATOM 95 CD1 ILE A 7 -51.401 -45.511 69.029 1.00 0.00 C ATOM 0 H ILE A 7 -55.613 -44.854 68.501 1.00 0.00 H new ATOM 0 HA ILE A 7 -54.681 -47.445 67.267 1.00 0.00 H new ATOM 0 HB ILE A 7 -53.833 -46.129 69.906 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -52.194 -46.665 67.380 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -53.008 -45.134 67.631 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -52.268 -48.060 69.978 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -53.952 -48.635 69.925 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -52.949 -48.682 68.456 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -50.655 -45.013 68.409 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.774 -44.814 69.779 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.947 -46.369 69.525 1.00 0.00 H new ATOM 107 N SER A 8 -56.443 -46.740 69.976 1.00 0.00 N ATOM 108 CA SER A 8 -57.544 -47.230 70.879 1.00 0.00 C ATOM 109 C SER A 8 -58.696 -46.220 70.974 1.00 0.00 C ATOM 110 O SER A 8 -58.739 -45.451 71.913 1.00 0.00 O ATOM 111 CB SER A 8 -56.971 -47.468 72.274 1.00 0.00 C ATOM 112 OG SER A 8 -58.081 -47.971 73.003 1.00 0.00 O ATOM 0 H SER A 8 -56.057 -45.831 70.231 1.00 0.00 H new ATOM 0 HA SER A 8 -57.941 -48.154 70.459 1.00 0.00 H new ATOM 0 HB2 SER A 8 -56.147 -48.181 72.254 1.00 0.00 H new ATOM 0 HB3 SER A 8 -56.586 -46.548 72.713 1.00 0.00 H new ATOM 0 HG SER A 8 -57.809 -48.159 73.925 1.00 0.00 H new ATOM 118 N PRO A 9 -59.596 -46.228 70.022 1.00 0.00 N ATOM 119 CA PRO A 9 -60.763 -45.313 70.026 1.00 0.00 C ATOM 120 C PRO A 9 -61.305 -45.056 71.438 1.00 0.00 C ATOM 121 O PRO A 9 -61.034 -45.795 72.363 1.00 0.00 O ATOM 122 CB PRO A 9 -61.733 -46.009 69.082 1.00 0.00 C ATOM 123 CG PRO A 9 -60.764 -46.546 68.000 1.00 0.00 C ATOM 124 CD PRO A 9 -59.603 -47.128 68.835 1.00 0.00 C ATOM 0 HA PRO A 9 -60.535 -44.300 69.694 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -62.284 -46.810 69.575 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -62.471 -45.321 68.669 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -61.235 -47.307 67.378 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -60.424 -45.754 67.333 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -59.780 -48.167 69.112 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -58.657 -47.099 68.295 1.00 0.00 H new ATOM 132 N GLY A 10 -62.070 -44.003 71.567 1.00 0.00 N ATOM 133 CA GLY A 10 -62.674 -43.626 72.889 1.00 0.00 C ATOM 134 C GLY A 10 -64.193 -43.651 72.722 1.00 0.00 C ATOM 135 O GLY A 10 -64.687 -44.095 71.705 1.00 0.00 O ATOM 0 H GLY A 10 -62.308 -43.374 70.800 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -62.362 -44.324 73.666 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -62.338 -42.636 73.196 1.00 0.00 H new ATOM 139 N ASP A 11 -64.903 -43.181 73.712 1.00 0.00 N ATOM 140 CA ASP A 11 -66.388 -43.170 73.629 1.00 0.00 C ATOM 141 C ASP A 11 -66.891 -42.785 72.233 1.00 0.00 C ATOM 142 O ASP A 11 -67.502 -43.572 71.537 1.00 0.00 O ATOM 143 CB ASP A 11 -66.910 -42.179 74.678 1.00 0.00 C ATOM 144 CG ASP A 11 -65.987 -40.957 74.686 1.00 0.00 C ATOM 145 OD1 ASP A 11 -64.986 -41.047 75.376 1.00 0.00 O ATOM 146 OD2 ASP A 11 -66.326 -40.013 73.999 1.00 0.00 O ATOM 0 H ASP A 11 -64.515 -42.803 74.577 1.00 0.00 H new ATOM 0 HA ASP A 11 -66.761 -44.176 73.823 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -67.932 -41.881 74.444 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -66.932 -42.645 75.663 1.00 0.00 H new ATOM 151 N GLY A 12 -66.607 -41.563 71.871 1.00 0.00 N ATOM 152 CA GLY A 12 -67.023 -41.018 70.544 1.00 0.00 C ATOM 153 C GLY A 12 -68.178 -40.065 70.830 1.00 0.00 C ATOM 154 O GLY A 12 -68.925 -39.679 69.954 1.00 0.00 O ATOM 0 H GLY A 12 -66.091 -40.903 72.453 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -66.197 -40.497 70.059 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -67.334 -41.818 69.872 1.00 0.00 H new ATOM 158 N ARG A 13 -68.280 -39.713 72.087 1.00 0.00 N ATOM 159 CA ARG A 13 -69.350 -38.787 72.576 1.00 0.00 C ATOM 160 C ARG A 13 -68.769 -37.589 73.332 1.00 0.00 C ATOM 161 O ARG A 13 -69.197 -36.471 73.120 1.00 0.00 O ATOM 162 CB ARG A 13 -70.284 -39.576 73.489 1.00 0.00 C ATOM 163 CG ARG A 13 -70.869 -40.730 72.672 1.00 0.00 C ATOM 164 CD ARG A 13 -71.842 -41.516 73.551 1.00 0.00 C ATOM 165 NE ARG A 13 -72.927 -40.577 73.987 1.00 0.00 N ATOM 166 CZ ARG A 13 -74.178 -40.780 73.659 1.00 0.00 C ATOM 167 NH1 ARG A 13 -74.453 -41.173 72.446 1.00 0.00 N ATOM 168 NH2 ARG A 13 -75.106 -40.584 74.555 1.00 0.00 N ATOM 0 H ARG A 13 -67.647 -40.039 72.817 1.00 0.00 H new ATOM 0 HA ARG A 13 -69.891 -38.391 71.717 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -69.741 -39.957 74.354 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -71.079 -38.935 73.869 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -71.383 -40.345 71.791 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -70.071 -41.382 72.316 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -72.263 -42.356 72.998 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -71.325 -41.931 74.416 1.00 0.00 H new ATOM 0 HE ARG A 13 -72.685 -39.763 74.551 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -73.700 -41.317 71.773 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -75.421 -41.337 72.170 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -74.852 -40.277 75.494 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -76.086 -40.737 74.316 1.00 0.00 H new ATOM 182 N THR A 14 -67.811 -37.816 74.200 1.00 0.00 N ATOM 183 CA THR A 14 -67.209 -36.675 74.973 1.00 0.00 C ATOM 184 C THR A 14 -65.836 -36.283 74.440 1.00 0.00 C ATOM 185 O THR A 14 -64.987 -37.117 74.198 1.00 0.00 O ATOM 186 CB THR A 14 -67.044 -37.081 76.416 1.00 0.00 C ATOM 187 OG1 THR A 14 -68.332 -37.517 76.824 1.00 0.00 O ATOM 188 CG2 THR A 14 -66.750 -35.866 77.305 1.00 0.00 C ATOM 0 H THR A 14 -67.420 -38.735 74.408 1.00 0.00 H new ATOM 0 HA THR A 14 -67.882 -35.824 74.870 1.00 0.00 H new ATOM 0 HB THR A 14 -66.242 -37.814 76.503 1.00 0.00 H new ATOM 0 HG1 THR A 14 -68.300 -37.801 77.761 1.00 0.00 H new ATOM 0 HG21 THR A 14 -66.636 -36.191 78.339 1.00 0.00 H new ATOM 0 HG22 THR A 14 -65.830 -35.386 76.972 1.00 0.00 H new ATOM 0 HG23 THR A 14 -67.575 -35.157 77.236 1.00 0.00 H new ATOM 196 N PHE A 15 -65.657 -34.998 74.272 1.00 0.00 N ATOM 197 CA PHE A 15 -64.361 -34.440 73.761 1.00 0.00 C ATOM 198 C PHE A 15 -63.983 -33.306 74.718 1.00 0.00 C ATOM 199 O PHE A 15 -64.770 -33.003 75.593 1.00 0.00 O ATOM 200 CB PHE A 15 -64.567 -33.888 72.364 1.00 0.00 C ATOM 201 CG PHE A 15 -65.120 -34.992 71.466 1.00 0.00 C ATOM 202 CD1 PHE A 15 -66.450 -35.351 71.538 1.00 0.00 C ATOM 203 CD2 PHE A 15 -64.292 -35.636 70.572 1.00 0.00 C ATOM 204 CE1 PHE A 15 -66.950 -36.344 70.720 1.00 0.00 C ATOM 205 CE2 PHE A 15 -64.787 -36.628 69.751 1.00 0.00 C ATOM 206 CZ PHE A 15 -66.117 -36.984 69.826 1.00 0.00 C ATOM 0 H PHE A 15 -66.368 -34.294 74.471 1.00 0.00 H new ATOM 0 HA PHE A 15 -63.581 -35.200 73.715 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -65.257 -33.045 72.391 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -63.624 -33.515 71.964 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -67.104 -34.852 72.238 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -63.249 -35.362 70.514 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -67.993 -36.620 70.780 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -64.133 -37.125 69.050 1.00 0.00 H new ATOM 0 HZ PHE A 15 -66.506 -37.762 69.186 1.00 0.00 H new ATOM 216 N PRO A 16 -62.836 -32.687 74.575 1.00 0.00 N ATOM 217 CA PRO A 16 -62.600 -31.385 75.248 1.00 0.00 C ATOM 218 C PRO A 16 -63.434 -30.295 74.561 1.00 0.00 C ATOM 219 O PRO A 16 -63.710 -30.379 73.380 1.00 0.00 O ATOM 220 CB PRO A 16 -61.083 -31.156 75.123 1.00 0.00 C ATOM 221 CG PRO A 16 -60.527 -32.549 74.719 1.00 0.00 C ATOM 222 CD PRO A 16 -61.630 -33.136 73.822 1.00 0.00 C ATOM 0 HA PRO A 16 -62.902 -31.366 76.295 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -60.854 -30.401 74.371 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -60.652 -30.811 76.063 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -59.581 -32.463 74.185 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -60.345 -33.176 75.592 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -61.599 -32.738 72.808 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -61.569 -34.221 73.741 1.00 0.00 H new ATOM 230 N LYS A 17 -63.820 -29.291 75.309 1.00 0.00 N ATOM 231 CA LYS A 17 -64.629 -28.169 74.765 1.00 0.00 C ATOM 232 C LYS A 17 -63.893 -26.835 74.932 1.00 0.00 C ATOM 233 O LYS A 17 -62.865 -26.744 75.574 1.00 0.00 O ATOM 234 CB LYS A 17 -65.917 -28.153 75.523 1.00 0.00 C ATOM 235 CG LYS A 17 -66.707 -29.424 75.202 1.00 0.00 C ATOM 236 CD LYS A 17 -68.022 -29.393 75.985 1.00 0.00 C ATOM 237 CE LYS A 17 -68.814 -30.660 75.656 1.00 0.00 C ATOM 238 NZ LYS A 17 -69.118 -30.703 74.198 1.00 0.00 N ATOM 0 H LYS A 17 -63.599 -29.205 76.301 1.00 0.00 H new ATOM 0 HA LYS A 17 -64.806 -28.306 73.698 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -65.722 -28.093 76.594 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -66.499 -27.271 75.255 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -66.905 -29.486 74.132 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -66.128 -30.307 75.470 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -67.824 -29.338 77.055 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -68.599 -28.507 75.721 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -68.242 -31.542 75.943 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -69.740 -30.680 76.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -69.947 -31.310 74.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -69.320 -29.741 73.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -68.300 -31.088 73.684 1.00 0.00 H new ATOM 252 N ARG A 18 -64.468 -25.821 74.339 1.00 0.00 N ATOM 253 CA ARG A 18 -63.907 -24.457 74.388 1.00 0.00 C ATOM 254 C ARG A 18 -64.296 -23.797 75.706 1.00 0.00 C ATOM 255 O ARG A 18 -65.373 -23.253 75.849 1.00 0.00 O ATOM 256 CB ARG A 18 -64.457 -23.644 73.213 1.00 0.00 C ATOM 257 CG ARG A 18 -63.785 -22.265 73.214 1.00 0.00 C ATOM 258 CD ARG A 18 -64.300 -21.458 72.021 1.00 0.00 C ATOM 259 NE ARG A 18 -65.779 -21.268 72.192 1.00 0.00 N ATOM 260 CZ ARG A 18 -66.309 -20.073 72.272 1.00 0.00 C ATOM 261 NH1 ARG A 18 -65.694 -19.071 71.705 1.00 0.00 N ATOM 262 NH2 ARG A 18 -67.433 -19.924 72.918 1.00 0.00 N ATOM 0 H ARG A 18 -65.334 -25.896 73.806 1.00 0.00 H new ATOM 0 HA ARG A 18 -62.820 -24.500 74.318 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -64.262 -24.159 72.272 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -65.538 -23.538 73.300 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -64.003 -21.741 74.145 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -62.702 -22.374 73.155 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -63.796 -20.493 71.968 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -64.088 -21.980 71.088 1.00 0.00 H new ATOM 0 HE ARG A 18 -66.384 -22.087 72.247 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -64.816 -19.226 71.210 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -66.092 -18.133 71.757 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -67.884 -20.731 73.350 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -67.861 -19.001 72.991 1.00 0.00 H new ATOM 276 N GLY A 19 -63.389 -23.867 76.641 1.00 0.00 N ATOM 277 CA GLY A 19 -63.615 -23.272 77.995 1.00 0.00 C ATOM 278 C GLY A 19 -63.274 -24.321 79.051 1.00 0.00 C ATOM 279 O GLY A 19 -63.358 -24.062 80.234 1.00 0.00 O ATOM 0 H GLY A 19 -62.482 -24.320 76.524 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -62.994 -22.386 78.127 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -64.652 -22.953 78.100 1.00 0.00 H new ATOM 283 N GLN A 20 -62.893 -25.492 78.602 1.00 0.00 N ATOM 284 CA GLN A 20 -62.529 -26.596 79.555 1.00 0.00 C ATOM 285 C GLN A 20 -61.044 -26.912 79.396 1.00 0.00 C ATOM 286 O GLN A 20 -60.386 -26.410 78.507 1.00 0.00 O ATOM 287 CB GLN A 20 -63.316 -27.871 79.244 1.00 0.00 C ATOM 288 CG GLN A 20 -64.797 -27.680 79.565 1.00 0.00 C ATOM 289 CD GLN A 20 -65.479 -29.044 79.414 1.00 0.00 C ATOM 290 OE1 GLN A 20 -65.501 -29.631 78.352 1.00 0.00 O ATOM 291 NE2 GLN A 20 -66.046 -29.585 80.457 1.00 0.00 N ATOM 0 H GLN A 20 -62.817 -25.735 77.614 1.00 0.00 H new ATOM 0 HA GLN A 20 -62.762 -26.267 80.568 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -63.197 -28.131 78.192 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -62.917 -28.702 79.825 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -64.924 -27.298 80.578 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -65.245 -26.950 78.890 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -66.033 -29.099 81.354 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -66.502 -30.494 80.376 1.00 0.00 H new ATOM 300 N THR A 21 -60.551 -27.749 80.268 1.00 0.00 N ATOM 301 CA THR A 21 -59.109 -28.144 80.224 1.00 0.00 C ATOM 302 C THR A 21 -59.069 -29.592 79.747 1.00 0.00 C ATOM 303 O THR A 21 -60.013 -30.330 79.944 1.00 0.00 O ATOM 304 CB THR A 21 -58.538 -28.024 81.630 1.00 0.00 C ATOM 305 OG1 THR A 21 -58.666 -26.645 81.937 1.00 0.00 O ATOM 306 CG2 THR A 21 -57.028 -28.276 81.649 1.00 0.00 C ATOM 0 H THR A 21 -61.090 -28.182 81.018 1.00 0.00 H new ATOM 0 HA THR A 21 -58.523 -27.512 79.557 1.00 0.00 H new ATOM 0 HB THR A 21 -59.039 -28.725 82.298 1.00 0.00 H new ATOM 0 HG1 THR A 21 -58.319 -26.477 82.838 1.00 0.00 H new ATOM 0 HG21 THR A 21 -56.656 -28.182 82.669 1.00 0.00 H new ATOM 0 HG22 THR A 21 -56.822 -29.280 81.279 1.00 0.00 H new ATOM 0 HG23 THR A 21 -56.529 -27.545 81.012 1.00 0.00 H new ATOM 314 N CYS A 22 -57.977 -29.951 79.132 1.00 0.00 N ATOM 315 CA CYS A 22 -57.790 -31.335 78.609 1.00 0.00 C ATOM 316 C CYS A 22 -56.704 -31.946 79.490 1.00 0.00 C ATOM 317 O CYS A 22 -55.764 -31.273 79.855 1.00 0.00 O ATOM 318 CB CYS A 22 -57.335 -31.226 77.147 1.00 0.00 C ATOM 319 SG CYS A 22 -58.100 -29.891 76.196 1.00 0.00 S ATOM 0 H CYS A 22 -57.187 -29.328 78.966 1.00 0.00 H new ATOM 0 HA CYS A 22 -58.692 -31.947 78.634 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -56.254 -31.089 77.130 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -57.544 -32.172 76.647 1.00 0.00 H new ATOM 0 HG CYS A 22 -57.259 -29.455 75.306 1.00 0.00 H new ATOM 325 N VAL A 23 -56.851 -33.198 79.813 1.00 0.00 N ATOM 326 CA VAL A 23 -55.841 -33.898 80.667 1.00 0.00 C ATOM 327 C VAL A 23 -55.378 -34.986 79.720 1.00 0.00 C ATOM 328 O VAL A 23 -56.124 -35.909 79.448 1.00 0.00 O ATOM 329 CB VAL A 23 -56.512 -34.500 81.884 1.00 0.00 C ATOM 330 CG1 VAL A 23 -55.427 -35.038 82.798 1.00 0.00 C ATOM 331 CG2 VAL A 23 -57.227 -33.356 82.602 1.00 0.00 C ATOM 0 H VAL A 23 -57.637 -33.778 79.520 1.00 0.00 H new ATOM 0 HA VAL A 23 -55.044 -33.262 81.052 1.00 0.00 H new ATOM 0 HB VAL A 23 -57.206 -35.296 81.614 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -55.883 -35.478 83.685 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -54.851 -35.798 82.271 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -54.766 -34.224 83.096 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -57.728 -33.741 83.490 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -56.499 -32.599 82.895 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -57.964 -32.911 81.933 1.00 0.00 H new ATOM 341 N VAL A 24 -54.159 -34.825 79.262 1.00 0.00 N ATOM 342 CA VAL A 24 -53.509 -35.772 78.299 1.00 0.00 C ATOM 343 C VAL A 24 -52.177 -36.323 78.808 1.00 0.00 C ATOM 344 O VAL A 24 -51.518 -35.711 79.621 1.00 0.00 O ATOM 345 CB VAL A 24 -53.278 -35.009 76.957 1.00 0.00 C ATOM 346 CG1 VAL A 24 -54.589 -34.315 76.556 1.00 0.00 C ATOM 347 CG2 VAL A 24 -52.195 -33.850 77.026 1.00 0.00 C ATOM 0 H VAL A 24 -53.563 -34.041 79.529 1.00 0.00 H new ATOM 0 HA VAL A 24 -54.169 -36.629 78.169 1.00 0.00 H new ATOM 0 HB VAL A 24 -52.929 -35.766 76.255 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -54.444 -33.777 75.619 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -55.372 -35.062 76.428 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.882 -33.613 77.336 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -52.104 -33.378 76.048 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -52.505 -33.106 77.760 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -51.232 -34.269 77.318 1.00 0.00 H new ATOM 357 N HIS A 25 -51.829 -37.475 78.293 1.00 0.00 N ATOM 358 CA HIS A 25 -50.551 -38.173 78.663 1.00 0.00 C ATOM 359 C HIS A 25 -49.925 -38.535 77.329 1.00 0.00 C ATOM 360 O HIS A 25 -50.406 -39.425 76.654 1.00 0.00 O ATOM 361 CB HIS A 25 -50.837 -39.451 79.458 1.00 0.00 C ATOM 362 CG HIS A 25 -49.544 -40.208 79.791 1.00 0.00 C ATOM 363 ND1 HIS A 25 -49.496 -41.261 80.538 1.00 0.00 N ATOM 364 CD2 HIS A 25 -48.224 -39.997 79.423 1.00 0.00 C ATOM 365 CE1 HIS A 25 -48.274 -41.677 80.637 1.00 0.00 C ATOM 366 NE2 HIS A 25 -47.449 -40.919 79.959 1.00 0.00 N ATOM 0 H HIS A 25 -52.394 -37.979 77.609 1.00 0.00 H new ATOM 0 HA HIS A 25 -49.910 -37.549 79.285 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -51.359 -39.198 80.381 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.500 -40.097 78.883 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -47.880 -39.193 78.789 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -47.972 -42.542 81.208 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -46.438 -41.019 79.867 1.00 0.00 H new ATOM 374 N TYR A 26 -48.874 -37.848 76.955 1.00 0.00 N ATOM 375 CA TYR A 26 -48.201 -38.146 75.645 1.00 0.00 C ATOM 376 C TYR A 26 -46.686 -38.272 75.707 1.00 0.00 C ATOM 377 O TYR A 26 -46.043 -38.098 76.723 1.00 0.00 O ATOM 378 CB TYR A 26 -48.527 -37.049 74.666 1.00 0.00 C ATOM 379 CG TYR A 26 -47.837 -35.740 75.051 1.00 0.00 C ATOM 380 CD1 TYR A 26 -48.355 -34.985 76.067 1.00 0.00 C ATOM 381 CD2 TYR A 26 -46.707 -35.301 74.382 1.00 0.00 C ATOM 382 CE1 TYR A 26 -47.761 -33.805 76.417 1.00 0.00 C ATOM 383 CE2 TYR A 26 -46.095 -34.113 74.721 1.00 0.00 C ATOM 384 CZ TYR A 26 -46.625 -33.350 75.754 1.00 0.00 C ATOM 385 OH TYR A 26 -46.033 -32.157 76.116 1.00 0.00 O ATOM 0 H TYR A 26 -48.451 -37.094 77.497 1.00 0.00 H new ATOM 0 HA TYR A 26 -48.584 -39.121 75.342 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -48.215 -37.347 73.665 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -49.606 -36.898 74.631 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -49.235 -35.322 76.594 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -46.298 -35.899 73.581 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -48.179 -33.217 77.220 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -45.215 -33.780 74.191 1.00 0.00 H new ATOM 0 HH TYR A 26 -45.250 -31.995 75.549 1.00 0.00 H new ATOM 395 N THR A 27 -46.186 -38.586 74.545 1.00 0.00 N ATOM 396 CA THR A 27 -44.733 -38.756 74.323 1.00 0.00 C ATOM 397 C THR A 27 -44.454 -38.064 72.988 1.00 0.00 C ATOM 398 O THR A 27 -44.966 -38.481 71.966 1.00 0.00 O ATOM 399 CB THR A 27 -44.409 -40.221 74.227 1.00 0.00 C ATOM 400 OG1 THR A 27 -44.813 -40.757 75.477 1.00 0.00 O ATOM 401 CG2 THR A 27 -42.891 -40.376 74.209 1.00 0.00 C ATOM 0 H THR A 27 -46.753 -38.736 73.711 1.00 0.00 H new ATOM 0 HA THR A 27 -44.133 -38.338 75.131 1.00 0.00 H new ATOM 0 HB THR A 27 -44.871 -40.684 73.355 1.00 0.00 H new ATOM 0 HG1 THR A 27 -44.634 -41.720 75.493 1.00 0.00 H new ATOM 0 HG21 THR A 27 -42.634 -41.433 74.140 1.00 0.00 H new ATOM 0 HG22 THR A 27 -42.481 -39.846 73.349 1.00 0.00 H new ATOM 0 HG23 THR A 27 -42.472 -39.960 75.125 1.00 0.00 H new ATOM 409 N GLY A 28 -43.662 -37.025 73.023 1.00 0.00 N ATOM 410 CA GLY A 28 -43.314 -36.269 71.774 1.00 0.00 C ATOM 411 C GLY A 28 -41.843 -36.510 71.485 1.00 0.00 C ATOM 412 O GLY A 28 -40.971 -36.107 72.230 1.00 0.00 O ATOM 0 H GLY A 28 -43.234 -36.660 73.874 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -43.928 -36.606 70.939 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -43.509 -35.205 71.904 1.00 0.00 H new ATOM 416 N MET A 29 -41.614 -37.174 70.388 1.00 0.00 N ATOM 417 CA MET A 29 -40.231 -37.508 69.942 1.00 0.00 C ATOM 418 C MET A 29 -40.123 -36.909 68.541 1.00 0.00 C ATOM 419 O MET A 29 -41.091 -36.407 68.000 1.00 0.00 O ATOM 420 CB MET A 29 -40.098 -39.039 69.936 1.00 0.00 C ATOM 421 CG MET A 29 -38.651 -39.463 69.647 1.00 0.00 C ATOM 422 SD MET A 29 -38.257 -41.218 69.848 1.00 0.00 S ATOM 423 CE MET A 29 -37.779 -41.144 71.593 1.00 0.00 C ATOM 0 H MET A 29 -42.348 -37.509 69.764 1.00 0.00 H new ATOM 0 HA MET A 29 -39.439 -37.117 70.581 1.00 0.00 H new ATOM 0 HB2 MET A 29 -40.413 -39.439 70.900 1.00 0.00 H new ATOM 0 HB3 MET A 29 -40.762 -39.463 69.183 1.00 0.00 H new ATOM 0 HG2 MET A 29 -38.412 -39.177 68.623 1.00 0.00 H new ATOM 0 HG3 MET A 29 -37.993 -38.890 70.300 1.00 0.00 H new ATOM 0 HE1 MET A 29 -37.492 -42.139 71.934 1.00 0.00 H new ATOM 0 HE2 MET A 29 -36.937 -40.462 71.711 1.00 0.00 H new ATOM 0 HE3 MET A 29 -38.621 -40.786 72.186 1.00 0.00 H new ATOM 694 N PHE A 46 -49.446 -33.887 81.417 1.00 0.00 N ATOM 695 CA PHE A 46 -49.708 -32.512 80.886 1.00 0.00 C ATOM 696 C PHE A 46 -51.200 -32.147 80.891 1.00 0.00 C ATOM 697 O PHE A 46 -52.049 -32.993 80.685 1.00 0.00 O ATOM 698 CB PHE A 46 -49.177 -32.494 79.506 1.00 0.00 C ATOM 699 CG PHE A 46 -49.151 -31.095 78.903 1.00 0.00 C ATOM 700 CD1 PHE A 46 -48.198 -30.213 79.348 1.00 0.00 C ATOM 701 CD2 PHE A 46 -50.042 -30.698 77.930 1.00 0.00 C ATOM 702 CE1 PHE A 46 -48.124 -28.937 78.831 1.00 0.00 C ATOM 703 CE2 PHE A 46 -49.975 -29.424 77.406 1.00 0.00 C ATOM 704 CZ PHE A 46 -49.017 -28.541 77.857 1.00 0.00 C ATOM 0 HA PHE A 46 -49.224 -31.772 81.523 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -48.167 -32.904 79.504 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -49.786 -33.144 78.878 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -47.499 -30.522 80.111 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -50.795 -31.387 77.577 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -47.370 -28.250 79.187 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -50.674 -29.118 76.642 1.00 0.00 H new ATOM 0 HZ PHE A 46 -48.966 -27.542 77.449 1.00 0.00 H new ATOM 714 N LYS A 47 -51.486 -30.890 81.127 1.00 0.00 N ATOM 715 CA LYS A 47 -52.913 -30.416 81.156 1.00 0.00 C ATOM 716 C LYS A 47 -53.032 -29.015 80.535 1.00 0.00 C ATOM 717 O LYS A 47 -52.368 -28.109 81.002 1.00 0.00 O ATOM 718 CB LYS A 47 -53.384 -30.365 82.602 1.00 0.00 C ATOM 719 CG LYS A 47 -53.049 -31.711 83.267 1.00 0.00 C ATOM 720 CD LYS A 47 -53.747 -31.844 84.635 1.00 0.00 C ATOM 721 CE LYS A 47 -53.254 -30.772 85.618 1.00 0.00 C ATOM 722 NZ LYS A 47 -51.768 -30.820 85.728 1.00 0.00 N ATOM 0 H LYS A 47 -50.791 -30.165 81.302 1.00 0.00 H new ATOM 0 HA LYS A 47 -53.529 -31.106 80.579 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -52.895 -29.548 83.132 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -54.457 -30.177 82.645 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -53.359 -32.529 82.616 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -51.970 -31.798 83.396 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -54.826 -31.754 84.506 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -53.557 -32.835 85.048 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -53.569 -29.785 85.280 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -53.704 -30.932 86.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -51.486 -30.626 86.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -51.430 -31.764 85.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -51.350 -30.104 85.100 1.00 0.00 H new ATOM 736 N PHE A 48 -53.844 -28.826 79.517 1.00 0.00 N ATOM 737 CA PHE A 48 -53.969 -27.448 78.906 1.00 0.00 C ATOM 738 C PHE A 48 -55.402 -26.990 78.664 1.00 0.00 C ATOM 739 O PHE A 48 -56.340 -27.757 78.716 1.00 0.00 O ATOM 740 CB PHE A 48 -53.202 -27.401 77.567 1.00 0.00 C ATOM 741 CG PHE A 48 -53.811 -28.273 76.444 1.00 0.00 C ATOM 742 CD1 PHE A 48 -53.793 -29.659 76.505 1.00 0.00 C ATOM 743 CD2 PHE A 48 -54.380 -27.664 75.330 1.00 0.00 C ATOM 744 CE1 PHE A 48 -54.331 -30.402 75.472 1.00 0.00 C ATOM 745 CE2 PHE A 48 -54.919 -28.415 74.301 1.00 0.00 C ATOM 746 CZ PHE A 48 -54.891 -29.786 74.377 1.00 0.00 C ATOM 0 H PHE A 48 -54.419 -29.549 79.085 1.00 0.00 H new ATOM 0 HA PHE A 48 -53.543 -26.764 79.640 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -53.160 -26.367 77.224 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -52.175 -27.721 77.741 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -53.359 -30.157 77.359 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -54.401 -26.586 75.268 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -54.312 -31.481 75.525 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -55.359 -27.927 73.444 1.00 0.00 H new ATOM 0 HZ PHE A 48 -55.308 -30.380 73.578 1.00 0.00 H new ATOM 756 N MET A 49 -55.503 -25.713 78.392 1.00 0.00 N ATOM 757 CA MET A 49 -56.824 -25.064 78.131 1.00 0.00 C ATOM 758 C MET A 49 -57.004 -24.717 76.656 1.00 0.00 C ATOM 759 O MET A 49 -56.157 -24.100 76.040 1.00 0.00 O ATOM 760 CB MET A 49 -56.887 -23.833 78.977 1.00 0.00 C ATOM 761 CG MET A 49 -58.216 -23.078 78.818 1.00 0.00 C ATOM 762 SD MET A 49 -59.735 -23.922 79.327 1.00 0.00 S ATOM 763 CE MET A 49 -59.731 -23.407 81.062 1.00 0.00 C ATOM 0 H MET A 49 -54.706 -25.079 78.339 1.00 0.00 H new ATOM 0 HA MET A 49 -57.631 -25.752 78.383 1.00 0.00 H new ATOM 0 HB2 MET A 49 -56.752 -24.108 80.023 1.00 0.00 H new ATOM 0 HB3 MET A 49 -56.063 -23.171 78.712 1.00 0.00 H new ATOM 0 HG2 MET A 49 -58.143 -22.150 79.384 1.00 0.00 H new ATOM 0 HG3 MET A 49 -58.321 -22.804 77.768 1.00 0.00 H new ATOM 0 HE1 MET A 49 -60.600 -23.827 81.568 1.00 0.00 H new ATOM 0 HE2 MET A 49 -58.822 -23.765 81.546 1.00 0.00 H new ATOM 0 HE3 MET A 49 -59.768 -22.319 81.119 1.00 0.00 H new ATOM 773 N LEU A 50 -58.126 -25.132 76.126 1.00 0.00 N ATOM 774 CA LEU A 50 -58.478 -24.889 74.706 1.00 0.00 C ATOM 775 C LEU A 50 -59.251 -23.570 74.571 1.00 0.00 C ATOM 776 O LEU A 50 -60.005 -23.197 75.447 1.00 0.00 O ATOM 777 CB LEU A 50 -59.316 -26.085 74.284 1.00 0.00 C ATOM 778 CG LEU A 50 -59.970 -25.916 72.916 1.00 0.00 C ATOM 779 CD1 LEU A 50 -58.911 -25.746 71.847 1.00 0.00 C ATOM 780 CD2 LEU A 50 -60.766 -27.184 72.608 1.00 0.00 C ATOM 0 H LEU A 50 -58.836 -25.649 76.646 1.00 0.00 H new ATOM 0 HA LEU A 50 -57.599 -24.791 74.069 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -58.685 -26.974 74.269 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -60.092 -26.257 75.030 1.00 0.00 H new ATOM 0 HG LEU A 50 -60.615 -25.037 72.927 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -59.391 -25.626 70.876 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -58.311 -24.863 72.067 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -58.268 -26.626 71.828 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -61.243 -27.086 71.633 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -60.094 -28.042 72.598 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -61.529 -27.329 73.373 1.00 0.00 H new ATOM 792 N GLY A 51 -59.049 -22.892 73.471 1.00 0.00 N ATOM 793 CA GLY A 51 -59.744 -21.597 73.213 1.00 0.00 C ATOM 794 C GLY A 51 -58.682 -20.585 72.815 1.00 0.00 C ATOM 795 O GLY A 51 -58.861 -19.801 71.904 1.00 0.00 O ATOM 0 H GLY A 51 -58.418 -23.188 72.726 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -60.484 -21.709 72.420 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -60.278 -21.264 74.103 1.00 0.00 H new ATOM 799 N LYS A 52 -57.586 -20.633 73.525 1.00 0.00 N ATOM 800 CA LYS A 52 -56.442 -19.712 73.276 1.00 0.00 C ATOM 801 C LYS A 52 -55.223 -20.586 72.937 1.00 0.00 C ATOM 802 O LYS A 52 -54.140 -20.334 73.424 1.00 0.00 O ATOM 803 CB LYS A 52 -56.268 -18.927 74.571 1.00 0.00 C ATOM 804 CG LYS A 52 -55.651 -17.546 74.324 1.00 0.00 C ATOM 805 CD LYS A 52 -54.277 -17.645 73.654 1.00 0.00 C ATOM 806 CE LYS A 52 -53.731 -16.229 73.464 1.00 0.00 C ATOM 807 NZ LYS A 52 -52.395 -16.285 72.804 1.00 0.00 N ATOM 0 H LYS A 52 -57.434 -21.292 74.289 1.00 0.00 H new ATOM 0 HA LYS A 52 -56.586 -19.015 72.450 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -57.236 -18.810 75.058 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -55.634 -19.491 75.255 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -56.319 -16.957 73.696 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -55.555 -17.016 75.272 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -53.597 -18.235 74.268 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -54.359 -18.152 72.693 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -54.421 -15.642 72.858 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -53.649 -15.729 74.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -52.029 -15.320 72.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -51.737 -16.829 73.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -52.485 -16.745 71.876 1.00 0.00 H new ATOM 821 N GLN A 53 -55.479 -21.573 72.112 1.00 0.00 N ATOM 822 CA GLN A 53 -54.450 -22.556 71.635 1.00 0.00 C ATOM 823 C GLN A 53 -53.063 -22.383 72.253 1.00 0.00 C ATOM 824 O GLN A 53 -52.080 -22.179 71.569 1.00 0.00 O ATOM 825 CB GLN A 53 -54.353 -22.432 70.112 1.00 0.00 C ATOM 826 CG GLN A 53 -54.085 -20.968 69.743 1.00 0.00 C ATOM 827 CD GLN A 53 -53.975 -20.859 68.221 1.00 0.00 C ATOM 828 OE1 GLN A 53 -53.127 -21.470 67.602 1.00 0.00 O ATOM 829 NE2 GLN A 53 -54.813 -20.089 67.581 1.00 0.00 N ATOM 0 H GLN A 53 -56.409 -21.746 71.730 1.00 0.00 H new ATOM 0 HA GLN A 53 -54.782 -23.545 71.952 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -53.553 -23.068 69.733 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -55.278 -22.773 69.647 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -54.890 -20.332 70.110 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -53.165 -20.622 70.214 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -55.527 -19.574 68.096 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -54.754 -20.003 66.566 1.00 0.00 H new ATOM 838 N GLU A 54 -53.026 -22.474 73.553 1.00 0.00 N ATOM 839 CA GLU A 54 -51.718 -22.315 74.245 1.00 0.00 C ATOM 840 C GLU A 54 -50.753 -23.440 73.848 1.00 0.00 C ATOM 841 O GLU A 54 -49.596 -23.424 74.219 1.00 0.00 O ATOM 842 CB GLU A 54 -51.972 -22.304 75.767 1.00 0.00 C ATOM 843 CG GLU A 54 -52.455 -23.665 76.247 1.00 0.00 C ATOM 844 CD GLU A 54 -52.929 -23.534 77.695 1.00 0.00 C ATOM 845 OE1 GLU A 54 -53.848 -22.756 77.893 1.00 0.00 O ATOM 846 OE2 GLU A 54 -52.346 -24.220 78.517 1.00 0.00 O ATOM 0 H GLU A 54 -53.829 -22.648 74.157 1.00 0.00 H new ATOM 0 HA GLU A 54 -51.251 -21.376 73.949 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -51.055 -22.034 76.291 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -52.714 -21.544 76.010 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -53.267 -24.022 75.614 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -51.651 -24.398 76.177 1.00 0.00 H new ATOM 853 N VAL A 55 -51.246 -24.398 73.100 1.00 0.00 N ATOM 854 CA VAL A 55 -50.387 -25.546 72.641 1.00 0.00 C ATOM 855 C VAL A 55 -50.339 -25.437 71.116 1.00 0.00 C ATOM 856 O VAL A 55 -51.201 -24.812 70.531 1.00 0.00 O ATOM 857 CB VAL A 55 -51.020 -26.906 73.035 1.00 0.00 C ATOM 858 CG1 VAL A 55 -51.161 -27.006 74.546 1.00 0.00 C ATOM 859 CG2 VAL A 55 -52.425 -27.076 72.433 1.00 0.00 C ATOM 0 H VAL A 55 -52.215 -24.438 72.783 1.00 0.00 H new ATOM 0 HA VAL A 55 -49.398 -25.501 73.098 1.00 0.00 H new ATOM 0 HB VAL A 55 -50.358 -27.681 72.650 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -51.607 -27.966 74.807 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -50.178 -26.924 75.009 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -51.800 -26.199 74.906 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -52.835 -28.041 72.732 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -53.074 -26.279 72.794 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -52.363 -27.029 71.346 1.00 0.00 H new ATOM 869 N ILE A 56 -49.358 -26.023 70.477 1.00 0.00 N ATOM 870 CA ILE A 56 -49.328 -25.907 68.984 1.00 0.00 C ATOM 871 C ILE A 56 -50.702 -26.263 68.399 1.00 0.00 C ATOM 872 O ILE A 56 -51.589 -26.676 69.121 1.00 0.00 O ATOM 873 CB ILE A 56 -48.262 -26.860 68.401 1.00 0.00 C ATOM 874 CG1 ILE A 56 -48.487 -28.238 69.051 1.00 0.00 C ATOM 875 CG2 ILE A 56 -46.844 -26.283 68.683 1.00 0.00 C ATOM 876 CD1 ILE A 56 -47.584 -29.300 68.420 1.00 0.00 C ATOM 0 H ILE A 56 -48.602 -26.558 70.903 1.00 0.00 H new ATOM 0 HA ILE A 56 -49.079 -24.879 68.720 1.00 0.00 H new ATOM 0 HB ILE A 56 -48.344 -26.963 67.319 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -48.287 -28.176 70.121 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -49.531 -28.530 68.938 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -46.090 -26.954 68.272 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -46.751 -25.303 68.216 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -46.697 -26.187 69.759 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -47.765 -30.262 68.899 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -47.803 -29.378 67.355 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.540 -29.017 68.556 1.00 0.00 H new ATOM 888 N ARG A 57 -50.867 -26.101 67.112 1.00 0.00 N ATOM 889 CA ARG A 57 -52.163 -26.422 66.472 1.00 0.00 C ATOM 890 C ARG A 57 -52.327 -27.937 66.483 1.00 0.00 C ATOM 891 O ARG A 57 -53.281 -28.414 67.063 1.00 0.00 O ATOM 892 CB ARG A 57 -52.147 -25.843 65.014 1.00 0.00 C ATOM 893 CG ARG A 57 -53.278 -24.811 64.812 1.00 0.00 C ATOM 894 CD ARG A 57 -52.965 -23.523 65.594 1.00 0.00 C ATOM 895 NE ARG A 57 -51.649 -22.993 65.102 1.00 0.00 N ATOM 896 CZ ARG A 57 -51.542 -21.806 64.562 1.00 0.00 C ATOM 897 NH1 ARG A 57 -52.422 -20.890 64.860 1.00 0.00 N ATOM 898 NH2 ARG A 57 -50.556 -21.577 63.739 1.00 0.00 N ATOM 0 H ARG A 57 -50.148 -25.756 66.476 1.00 0.00 H new ATOM 0 HA ARG A 57 -53.006 -25.980 67.003 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -51.183 -25.374 64.816 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -52.259 -26.655 64.296 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -53.389 -24.584 63.752 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -54.227 -25.229 65.149 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -53.753 -22.785 65.445 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -52.918 -23.728 66.664 1.00 0.00 H new ATOM 0 HE ARG A 57 -50.816 -23.574 65.191 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -53.181 -21.103 65.507 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -52.351 -19.960 64.446 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -49.886 -22.317 63.527 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -50.455 -20.658 63.307 1.00 0.00 H new ATOM 912 N GLY A 58 -51.408 -28.621 65.837 1.00 0.00 N ATOM 913 CA GLY A 58 -51.396 -30.120 65.748 1.00 0.00 C ATOM 914 C GLY A 58 -52.211 -30.770 66.840 1.00 0.00 C ATOM 915 O GLY A 58 -52.970 -31.694 66.632 1.00 0.00 O ATOM 0 H GLY A 58 -50.631 -28.179 65.346 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -51.785 -30.426 64.777 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -50.367 -30.476 65.806 1.00 0.00 H new ATOM 919 N TRP A 59 -51.990 -30.218 67.998 1.00 0.00 N ATOM 920 CA TRP A 59 -52.685 -30.694 69.214 1.00 0.00 C ATOM 921 C TRP A 59 -54.122 -30.228 69.168 1.00 0.00 C ATOM 922 O TRP A 59 -55.026 -30.991 68.902 1.00 0.00 O ATOM 923 CB TRP A 59 -52.003 -30.090 70.459 1.00 0.00 C ATOM 924 CG TRP A 59 -51.029 -31.067 71.067 1.00 0.00 C ATOM 925 CD1 TRP A 59 -50.146 -31.749 70.330 1.00 0.00 C ATOM 926 CD2 TRP A 59 -50.884 -31.374 72.364 1.00 0.00 C ATOM 927 NE1 TRP A 59 -49.492 -32.444 71.229 1.00 0.00 N ATOM 928 CE2 TRP A 59 -49.857 -32.295 72.501 1.00 0.00 C ATOM 929 CE3 TRP A 59 -51.575 -30.929 73.480 1.00 0.00 C ATOM 930 CZ2 TRP A 59 -49.548 -32.749 73.774 1.00 0.00 C ATOM 931 CZ3 TRP A 59 -51.248 -31.390 74.704 1.00 0.00 C ATOM 932 CH2 TRP A 59 -50.241 -32.293 74.846 1.00 0.00 C ATOM 0 H TRP A 59 -51.345 -29.443 68.151 1.00 0.00 H new ATOM 0 HA TRP A 59 -52.644 -31.782 69.262 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -51.481 -29.174 70.184 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -52.758 -29.817 71.196 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -50.006 -31.732 69.259 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -48.734 -33.073 70.965 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -52.376 -30.213 73.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -48.754 -33.467 73.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -51.786 -31.042 75.573 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -49.989 -32.654 75.832 1.00 0.00 H new ATOM 943 N GLU A 60 -54.240 -28.954 69.451 1.00 0.00 N ATOM 944 CA GLU A 60 -55.543 -28.224 69.485 1.00 0.00 C ATOM 945 C GLU A 60 -56.597 -28.948 68.642 1.00 0.00 C ATOM 946 O GLU A 60 -57.659 -29.316 69.104 1.00 0.00 O ATOM 947 CB GLU A 60 -55.216 -26.826 68.993 1.00 0.00 C ATOM 948 CG GLU A 60 -56.386 -25.875 69.208 1.00 0.00 C ATOM 949 CD GLU A 60 -57.549 -26.259 68.290 1.00 0.00 C ATOM 950 OE1 GLU A 60 -57.323 -26.221 67.092 1.00 0.00 O ATOM 951 OE2 GLU A 60 -58.594 -26.569 68.839 1.00 0.00 O ATOM 0 H GLU A 60 -53.440 -28.361 69.671 1.00 0.00 H new ATOM 0 HA GLU A 60 -55.986 -28.179 70.480 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -54.338 -26.450 69.518 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -54.963 -26.861 67.933 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -56.707 -25.910 70.249 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -56.075 -24.850 69.005 1.00 0.00 H new ATOM 958 N GLU A 61 -56.223 -29.142 67.405 1.00 0.00 N ATOM 959 CA GLU A 61 -57.088 -29.826 66.429 1.00 0.00 C ATOM 960 C GLU A 61 -56.968 -31.326 66.714 1.00 0.00 C ATOM 961 O GLU A 61 -57.954 -32.013 66.895 1.00 0.00 O ATOM 962 CB GLU A 61 -56.599 -29.507 65.014 1.00 0.00 C ATOM 963 CG GLU A 61 -57.492 -30.219 63.988 1.00 0.00 C ATOM 964 CD GLU A 61 -58.928 -29.706 64.120 1.00 0.00 C ATOM 965 OE1 GLU A 61 -59.092 -28.510 63.937 1.00 0.00 O ATOM 966 OE2 GLU A 61 -59.775 -30.540 64.396 1.00 0.00 O ATOM 0 H GLU A 61 -55.323 -28.841 67.030 1.00 0.00 H new ATOM 0 HA GLU A 61 -58.126 -29.503 66.509 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -56.621 -28.430 64.845 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -55.564 -29.828 64.895 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -57.121 -30.038 62.979 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -57.463 -31.297 64.150 1.00 0.00 H new ATOM 973 N GLY A 62 -55.748 -31.796 66.746 1.00 0.00 N ATOM 974 CA GLY A 62 -55.522 -33.235 67.017 1.00 0.00 C ATOM 975 C GLY A 62 -56.275 -33.647 68.280 1.00 0.00 C ATOM 976 O GLY A 62 -57.273 -34.332 68.221 1.00 0.00 O ATOM 0 H GLY A 62 -54.905 -31.242 66.596 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -55.860 -33.832 66.170 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -54.456 -33.429 67.138 1.00 0.00 H new ATOM 980 N VAL A 63 -55.784 -33.234 69.419 1.00 0.00 N ATOM 981 CA VAL A 63 -56.476 -33.599 70.684 1.00 0.00 C ATOM 982 C VAL A 63 -57.994 -33.423 70.565 1.00 0.00 C ATOM 983 O VAL A 63 -58.728 -34.320 70.922 1.00 0.00 O ATOM 984 CB VAL A 63 -55.947 -32.729 71.819 1.00 0.00 C ATOM 985 CG1 VAL A 63 -56.568 -33.269 73.115 1.00 0.00 C ATOM 986 CG2 VAL A 63 -54.403 -32.820 71.883 1.00 0.00 C ATOM 0 H VAL A 63 -54.943 -32.666 69.525 1.00 0.00 H new ATOM 0 HA VAL A 63 -56.275 -34.650 70.891 1.00 0.00 H new ATOM 0 HB VAL A 63 -56.210 -31.682 71.668 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -56.218 -32.677 73.960 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -57.654 -33.205 73.052 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -56.273 -34.309 73.254 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -54.035 -32.195 72.697 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -54.106 -33.854 72.057 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -53.979 -32.475 70.940 1.00 0.00 H new ATOM 996 N ALA A 64 -58.451 -32.289 70.093 1.00 0.00 N ATOM 997 CA ALA A 64 -59.933 -32.112 69.964 1.00 0.00 C ATOM 998 C ALA A 64 -60.582 -33.342 69.345 1.00 0.00 C ATOM 999 O ALA A 64 -61.409 -34.028 69.911 1.00 0.00 O ATOM 1000 CB ALA A 64 -60.238 -30.931 69.059 1.00 0.00 C ATOM 0 H ALA A 64 -57.881 -31.497 69.798 1.00 0.00 H new ATOM 0 HA ALA A 64 -60.329 -31.949 70.966 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -61.318 -30.810 68.971 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -59.804 -30.026 69.484 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -59.811 -31.109 68.072 1.00 0.00 H new ATOM 1006 N GLN A 65 -60.120 -33.530 68.148 1.00 0.00 N ATOM 1007 CA GLN A 65 -60.534 -34.628 67.255 1.00 0.00 C ATOM 1008 C GLN A 65 -60.532 -35.938 68.035 1.00 0.00 C ATOM 1009 O GLN A 65 -61.070 -36.928 67.582 1.00 0.00 O ATOM 1010 CB GLN A 65 -59.541 -34.553 66.094 1.00 0.00 C ATOM 1011 CG GLN A 65 -59.946 -35.333 64.856 1.00 0.00 C ATOM 1012 CD GLN A 65 -58.928 -34.979 63.748 1.00 0.00 C ATOM 1013 OE1 GLN A 65 -58.935 -35.564 62.683 1.00 0.00 O ATOM 1014 NE2 GLN A 65 -58.041 -34.031 63.951 1.00 0.00 N ATOM 0 H GLN A 65 -59.421 -32.917 67.729 1.00 0.00 H new ATOM 0 HA GLN A 65 -61.549 -34.557 66.865 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -59.405 -33.507 65.818 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -58.574 -34.921 66.437 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -59.941 -36.404 65.056 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -60.958 -35.070 64.548 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -58.023 -33.531 64.840 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -57.370 -33.795 63.220 1.00 0.00 H new ATOM 1023 N MET A 66 -59.927 -35.931 69.203 1.00 0.00 N ATOM 1024 CA MET A 66 -59.904 -37.204 70.021 1.00 0.00 C ATOM 1025 C MET A 66 -60.930 -37.091 71.153 1.00 0.00 C ATOM 1026 O MET A 66 -61.261 -36.006 71.585 1.00 0.00 O ATOM 1027 CB MET A 66 -58.534 -37.427 70.661 1.00 0.00 C ATOM 1028 CG MET A 66 -57.415 -37.490 69.600 1.00 0.00 C ATOM 1029 SD MET A 66 -55.921 -38.409 70.052 1.00 0.00 S ATOM 1030 CE MET A 66 -55.278 -37.346 71.369 1.00 0.00 C ATOM 0 H MET A 66 -59.459 -35.127 69.621 1.00 0.00 H new ATOM 0 HA MET A 66 -60.132 -38.035 69.354 1.00 0.00 H new ATOM 0 HB2 MET A 66 -58.325 -36.621 71.364 1.00 0.00 H new ATOM 0 HB3 MET A 66 -58.546 -38.354 71.234 1.00 0.00 H new ATOM 0 HG2 MET A 66 -57.828 -37.935 68.695 1.00 0.00 H new ATOM 0 HG3 MET A 66 -57.125 -36.470 69.350 1.00 0.00 H new ATOM 0 HE1 MET A 66 -54.837 -37.963 72.152 1.00 0.00 H new ATOM 0 HE2 MET A 66 -54.518 -36.680 70.961 1.00 0.00 H new ATOM 0 HE3 MET A 66 -56.091 -36.754 71.788 1.00 0.00 H new ATOM 1040 N SER A 67 -61.406 -38.221 71.621 1.00 0.00 N ATOM 1041 CA SER A 67 -62.425 -38.241 72.728 1.00 0.00 C ATOM 1042 C SER A 67 -61.921 -38.909 74.005 1.00 0.00 C ATOM 1043 O SER A 67 -61.052 -39.758 74.001 1.00 0.00 O ATOM 1044 CB SER A 67 -63.656 -38.991 72.241 1.00 0.00 C ATOM 1045 OG SER A 67 -63.151 -40.287 71.951 1.00 0.00 O ATOM 0 H SER A 67 -61.131 -39.142 71.281 1.00 0.00 H new ATOM 0 HA SER A 67 -62.649 -37.204 72.976 1.00 0.00 H new ATOM 0 HB2 SER A 67 -64.435 -39.023 73.002 1.00 0.00 H new ATOM 0 HB3 SER A 67 -64.091 -38.521 71.359 1.00 0.00 H new ATOM 0 HG SER A 67 -63.879 -40.857 71.626 1.00 0.00 H new ATOM 1051 N VAL A 68 -62.526 -38.465 75.070 1.00 0.00 N ATOM 1052 CA VAL A 68 -62.203 -38.970 76.428 1.00 0.00 C ATOM 1053 C VAL A 68 -62.032 -40.483 76.513 1.00 0.00 C ATOM 1054 O VAL A 68 -62.995 -41.211 76.651 1.00 0.00 O ATOM 1055 CB VAL A 68 -63.326 -38.502 77.363 1.00 0.00 C ATOM 1056 CG1 VAL A 68 -63.105 -38.993 78.794 1.00 0.00 C ATOM 1057 CG2 VAL A 68 -63.362 -36.973 77.367 1.00 0.00 C ATOM 0 H VAL A 68 -63.254 -37.750 75.052 1.00 0.00 H new ATOM 0 HA VAL A 68 -61.232 -38.568 76.718 1.00 0.00 H new ATOM 0 HB VAL A 68 -64.267 -38.914 77.000 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -63.919 -38.643 79.429 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -63.079 -40.083 78.805 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -62.159 -38.604 79.170 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -64.157 -36.630 78.029 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -62.405 -36.587 77.719 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -63.549 -36.611 76.356 1.00 0.00 H new ATOM 1067 N GLY A 69 -60.811 -40.937 76.430 1.00 0.00 N ATOM 1068 CA GLY A 69 -60.536 -42.407 76.505 1.00 0.00 C ATOM 1069 C GLY A 69 -59.995 -42.873 75.165 1.00 0.00 C ATOM 1070 O GLY A 69 -59.970 -44.052 74.870 1.00 0.00 O ATOM 0 H GLY A 69 -59.984 -40.351 76.313 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -59.816 -42.616 77.296 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -61.448 -42.949 76.753 1.00 0.00 H new ATOM 1074 N GLN A 70 -59.566 -41.925 74.372 1.00 0.00 N ATOM 1075 CA GLN A 70 -59.002 -42.267 73.018 1.00 0.00 C ATOM 1076 C GLN A 70 -57.489 -42.059 72.994 1.00 0.00 C ATOM 1077 O GLN A 70 -56.969 -41.136 73.588 1.00 0.00 O ATOM 1078 CB GLN A 70 -59.647 -41.365 71.954 1.00 0.00 C ATOM 1079 CG GLN A 70 -59.013 -41.665 70.585 1.00 0.00 C ATOM 1080 CD GLN A 70 -59.802 -40.944 69.490 1.00 0.00 C ATOM 1081 OE1 GLN A 70 -61.000 -41.098 69.366 1.00 0.00 O ATOM 1082 NE2 GLN A 70 -59.162 -40.150 68.675 1.00 0.00 N ATOM 0 H GLN A 70 -59.579 -40.930 74.597 1.00 0.00 H new ATOM 0 HA GLN A 70 -59.218 -43.314 72.808 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -60.722 -41.539 71.916 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -59.503 -40.316 72.213 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -57.973 -41.338 70.574 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -59.012 -42.739 70.400 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -58.156 -40.018 68.777 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -59.668 -39.661 67.937 1.00 0.00 H new ATOM 1091 N ARG A 71 -56.812 -42.939 72.294 1.00 0.00 N ATOM 1092 CA ARG A 71 -55.318 -42.856 72.174 1.00 0.00 C ATOM 1093 C ARG A 71 -54.962 -42.873 70.706 1.00 0.00 C ATOM 1094 O ARG A 71 -55.558 -43.580 69.914 1.00 0.00 O ATOM 1095 CB ARG A 71 -54.660 -44.043 72.842 1.00 0.00 C ATOM 1096 CG ARG A 71 -53.131 -43.955 72.727 1.00 0.00 C ATOM 1097 CD ARG A 71 -52.539 -45.173 73.437 1.00 0.00 C ATOM 1098 NE ARG A 71 -51.066 -45.206 73.156 1.00 0.00 N ATOM 1099 CZ ARG A 71 -50.183 -45.129 74.119 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -50.127 -44.042 74.839 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -49.387 -46.143 74.326 1.00 0.00 N ATOM 0 H ARG A 71 -57.235 -43.721 71.794 1.00 0.00 H new ATOM 0 HA ARG A 71 -54.970 -41.943 72.657 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -54.949 -44.081 73.892 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -55.011 -44.966 72.381 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -52.827 -43.937 71.680 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -52.766 -43.033 73.180 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -52.720 -45.113 74.510 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -53.014 -46.088 73.084 1.00 0.00 H new ATOM 0 HE ARG A 71 -50.745 -45.290 72.192 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -50.765 -43.270 74.647 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -49.445 -43.965 75.594 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -49.460 -46.976 73.742 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -48.692 -46.102 75.072 1.00 0.00 H new ATOM 1115 N ALA A 72 -53.971 -42.078 70.407 1.00 0.00 N ATOM 1116 CA ALA A 72 -53.495 -41.968 68.987 1.00 0.00 C ATOM 1117 C ALA A 72 -52.016 -41.658 68.792 1.00 0.00 C ATOM 1118 O ALA A 72 -51.251 -41.456 69.714 1.00 0.00 O ATOM 1119 CB ALA A 72 -54.288 -40.876 68.282 1.00 0.00 C ATOM 0 H ALA A 72 -53.468 -41.499 71.079 1.00 0.00 H new ATOM 0 HA ALA A 72 -53.651 -42.963 68.571 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -53.949 -40.789 67.250 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -55.348 -41.130 68.296 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -54.135 -39.927 68.795 1.00 0.00 H new ATOM 1125 N LYS A 73 -51.705 -41.640 67.523 1.00 0.00 N ATOM 1126 CA LYS A 73 -50.336 -41.354 67.010 1.00 0.00 C ATOM 1127 C LYS A 73 -50.568 -40.244 65.988 1.00 0.00 C ATOM 1128 O LYS A 73 -51.046 -40.492 64.899 1.00 0.00 O ATOM 1129 CB LYS A 73 -49.754 -42.591 66.322 1.00 0.00 C ATOM 1130 CG LYS A 73 -48.367 -42.211 65.780 1.00 0.00 C ATOM 1131 CD LYS A 73 -47.611 -43.433 65.211 1.00 0.00 C ATOM 1132 CE LYS A 73 -48.288 -43.990 63.947 1.00 0.00 C ATOM 1133 NZ LYS A 73 -49.541 -44.723 64.285 1.00 0.00 N ATOM 0 H LYS A 73 -52.384 -41.822 66.784 1.00 0.00 H new ATOM 0 HA LYS A 73 -49.634 -41.077 67.797 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -49.676 -43.420 67.026 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -50.405 -42.921 65.512 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -48.477 -41.458 65.000 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -47.777 -41.760 66.578 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -46.585 -43.148 64.978 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -47.561 -44.214 65.970 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -48.515 -43.173 63.263 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -47.601 -44.659 63.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -49.572 -45.619 63.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -49.562 -44.922 65.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -50.364 -44.141 64.028 1.00 0.00 H new ATOM 1147 N LEU A 74 -50.228 -39.040 66.353 1.00 0.00 N ATOM 1148 CA LEU A 74 -50.431 -37.897 65.410 1.00 0.00 C ATOM 1149 C LEU A 74 -49.097 -37.534 64.768 1.00 0.00 C ATOM 1150 O LEU A 74 -48.048 -37.643 65.372 1.00 0.00 O ATOM 1151 CB LEU A 74 -50.962 -36.673 66.167 1.00 0.00 C ATOM 1152 CG LEU A 74 -52.328 -36.950 66.859 1.00 0.00 C ATOM 1153 CD1 LEU A 74 -52.167 -37.622 68.231 1.00 0.00 C ATOM 1154 CD2 LEU A 74 -53.078 -35.633 67.065 1.00 0.00 C ATOM 0 H LEU A 74 -49.821 -38.795 67.256 1.00 0.00 H new ATOM 0 HA LEU A 74 -51.152 -38.192 64.648 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -50.233 -36.369 66.918 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -51.072 -35.840 65.473 1.00 0.00 H new ATOM 0 HG LEU A 74 -52.880 -37.625 66.205 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -53.150 -37.793 68.670 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -51.653 -38.575 68.111 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -51.584 -36.975 68.887 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -54.034 -35.831 67.550 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -52.483 -34.970 67.693 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -53.252 -35.159 66.099 1.00 0.00 H new ATOM 1166 N THR A 75 -49.185 -37.106 63.540 1.00 0.00 N ATOM 1167 CA THR A 75 -47.975 -36.701 62.757 1.00 0.00 C ATOM 1168 C THR A 75 -48.234 -35.229 62.500 1.00 0.00 C ATOM 1169 O THR A 75 -49.037 -34.870 61.661 1.00 0.00 O ATOM 1170 CB THR A 75 -47.916 -37.471 61.439 1.00 0.00 C ATOM 1171 OG1 THR A 75 -47.930 -38.836 61.829 1.00 0.00 O ATOM 1172 CG2 THR A 75 -46.544 -37.287 60.788 1.00 0.00 C ATOM 0 H THR A 75 -50.064 -37.017 63.031 1.00 0.00 H new ATOM 0 HA THR A 75 -47.032 -36.898 63.268 1.00 0.00 H new ATOM 0 HB THR A 75 -48.715 -37.154 60.769 1.00 0.00 H new ATOM 0 HG1 THR A 75 -47.896 -39.404 61.031 1.00 0.00 H new ATOM 0 HG21 THR A 75 -46.510 -37.839 59.849 1.00 0.00 H new ATOM 0 HG22 THR A 75 -46.373 -36.228 60.593 1.00 0.00 H new ATOM 0 HG23 THR A 75 -45.770 -37.662 61.458 1.00 0.00 H new ATOM 1180 N ILE A 76 -47.543 -34.396 63.235 1.00 0.00 N ATOM 1181 CA ILE A 76 -47.705 -32.916 63.097 1.00 0.00 C ATOM 1182 C ILE A 76 -46.531 -32.367 62.310 1.00 0.00 C ATOM 1183 O ILE A 76 -45.401 -32.761 62.518 1.00 0.00 O ATOM 1184 CB ILE A 76 -47.689 -32.238 64.482 1.00 0.00 C ATOM 1185 CG1 ILE A 76 -48.616 -33.003 65.449 1.00 0.00 C ATOM 1186 CG2 ILE A 76 -48.226 -30.797 64.249 1.00 0.00 C ATOM 1187 CD1 ILE A 76 -48.402 -32.532 66.896 1.00 0.00 C ATOM 0 H ILE A 76 -46.861 -34.684 63.937 1.00 0.00 H new ATOM 0 HA ILE A 76 -48.653 -32.716 62.597 1.00 0.00 H new ATOM 0 HB ILE A 76 -46.691 -32.229 64.921 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -49.656 -32.849 65.162 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -48.421 -34.073 65.377 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -48.241 -30.257 65.196 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -47.577 -30.276 63.545 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -49.236 -30.846 63.843 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -49.066 -33.085 67.561 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -47.367 -32.710 67.187 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -48.621 -31.467 66.968 1.00 0.00 H new ATOM 1199 N SER A 77 -46.844 -31.452 61.431 1.00 0.00 N ATOM 1200 CA SER A 77 -45.804 -30.800 60.563 1.00 0.00 C ATOM 1201 C SER A 77 -45.742 -29.295 60.903 1.00 0.00 C ATOM 1202 O SER A 77 -46.648 -28.777 61.525 1.00 0.00 O ATOM 1203 CB SER A 77 -46.233 -31.082 59.082 1.00 0.00 C ATOM 1204 OG SER A 77 -46.434 -29.823 58.453 1.00 0.00 O ATOM 0 H SER A 77 -47.795 -31.119 61.271 1.00 0.00 H new ATOM 0 HA SER A 77 -44.800 -31.192 60.723 1.00 0.00 H new ATOM 0 HB2 SER A 77 -45.464 -31.653 58.561 1.00 0.00 H new ATOM 0 HB3 SER A 77 -47.146 -31.676 59.053 1.00 0.00 H new ATOM 0 HG SER A 77 -47.258 -29.850 57.924 1.00 0.00 H new ATOM 1210 N PRO A 78 -44.688 -28.625 60.497 1.00 0.00 N ATOM 1211 CA PRO A 78 -44.466 -27.198 60.843 1.00 0.00 C ATOM 1212 C PRO A 78 -45.755 -26.371 60.847 1.00 0.00 C ATOM 1213 O PRO A 78 -46.044 -25.669 61.795 1.00 0.00 O ATOM 1214 CB PRO A 78 -43.403 -26.733 59.805 1.00 0.00 C ATOM 1215 CG PRO A 78 -43.359 -27.883 58.765 1.00 0.00 C ATOM 1216 CD PRO A 78 -43.592 -29.126 59.627 1.00 0.00 C ATOM 0 HA PRO A 78 -44.115 -27.059 61.865 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -43.685 -25.788 59.342 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -42.430 -26.581 60.272 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -44.129 -27.769 58.002 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -42.401 -27.924 58.247 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -43.889 -29.994 59.038 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -42.707 -29.414 60.194 1.00 0.00 H new ATOM 1224 N ASP A 79 -46.500 -26.469 59.782 1.00 0.00 N ATOM 1225 CA ASP A 79 -47.766 -25.709 59.687 1.00 0.00 C ATOM 1226 C ASP A 79 -48.570 -25.787 60.989 1.00 0.00 C ATOM 1227 O ASP A 79 -49.114 -24.803 61.448 1.00 0.00 O ATOM 1228 CB ASP A 79 -48.541 -26.281 58.488 1.00 0.00 C ATOM 1229 CG ASP A 79 -48.451 -27.811 58.492 1.00 0.00 C ATOM 1230 OD1 ASP A 79 -48.697 -28.388 59.538 1.00 0.00 O ATOM 1231 OD2 ASP A 79 -48.136 -28.319 57.429 1.00 0.00 O ATOM 0 H ASP A 79 -46.281 -27.048 58.971 1.00 0.00 H new ATOM 0 HA ASP A 79 -47.570 -24.648 59.535 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -49.584 -25.969 58.536 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -48.133 -25.886 57.558 1.00 0.00 H new ATOM 1236 N TYR A 80 -48.628 -26.965 61.560 1.00 0.00 N ATOM 1237 CA TYR A 80 -49.378 -27.199 62.833 1.00 0.00 C ATOM 1238 C TYR A 80 -48.423 -27.424 64.024 1.00 0.00 C ATOM 1239 O TYR A 80 -48.847 -27.862 65.074 1.00 0.00 O ATOM 1240 CB TYR A 80 -50.267 -28.431 62.622 1.00 0.00 C ATOM 1241 CG TYR A 80 -51.570 -28.082 61.880 1.00 0.00 C ATOM 1242 CD1 TYR A 80 -51.549 -27.452 60.654 1.00 0.00 C ATOM 1243 CD2 TYR A 80 -52.796 -28.402 62.437 1.00 0.00 C ATOM 1244 CE1 TYR A 80 -52.727 -27.149 59.997 1.00 0.00 C ATOM 1245 CE2 TYR A 80 -53.970 -28.100 61.784 1.00 0.00 C ATOM 1246 CZ TYR A 80 -53.945 -27.471 60.559 1.00 0.00 C ATOM 1247 OH TYR A 80 -55.121 -27.168 59.903 1.00 0.00 O ATOM 0 H TYR A 80 -48.173 -27.798 61.185 1.00 0.00 H new ATOM 0 HA TYR A 80 -49.977 -26.321 63.073 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -49.717 -29.182 62.055 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -50.508 -28.874 63.588 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -50.603 -27.193 60.202 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -52.832 -28.895 63.397 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -52.693 -26.656 59.036 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -54.917 -28.358 62.235 1.00 0.00 H new ATOM 0 HH TYR A 80 -55.883 -27.467 60.442 1.00 0.00 H new ATOM 1457 N THR A 96 -40.450 -32.161 61.679 1.00 0.00 N ATOM 1458 CA THR A 96 -41.833 -32.697 61.939 1.00 0.00 C ATOM 1459 C THR A 96 -41.918 -33.311 63.346 1.00 0.00 C ATOM 1460 O THR A 96 -41.051 -34.092 63.688 1.00 0.00 O ATOM 1461 CB THR A 96 -42.117 -33.761 60.881 1.00 0.00 C ATOM 1462 OG1 THR A 96 -42.050 -33.045 59.657 1.00 0.00 O ATOM 1463 CG2 THR A 96 -43.561 -34.271 60.919 1.00 0.00 C ATOM 0 HA THR A 96 -42.568 -31.894 61.885 1.00 0.00 H new ATOM 0 HB THR A 96 -41.433 -34.598 61.020 1.00 0.00 H new ATOM 0 HG1 THR A 96 -41.319 -32.393 59.699 1.00 0.00 H new ATOM 0 HG21 THR A 96 -43.701 -35.025 60.144 1.00 0.00 H new ATOM 0 HG22 THR A 96 -43.766 -34.711 61.895 1.00 0.00 H new ATOM 0 HG23 THR A 96 -44.245 -33.440 60.745 1.00 0.00 H new ATOM 1471 N LEU A 97 -42.907 -32.997 64.151 1.00 0.00 N ATOM 1472 CA LEU A 97 -42.968 -33.605 65.503 1.00 0.00 C ATOM 1473 C LEU A 97 -43.927 -34.810 65.379 1.00 0.00 C ATOM 1474 O LEU A 97 -44.802 -34.807 64.538 1.00 0.00 O ATOM 1475 CB LEU A 97 -43.584 -32.606 66.526 1.00 0.00 C ATOM 1476 CG LEU A 97 -43.212 -31.087 66.469 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -43.984 -30.380 67.618 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -41.754 -30.688 66.689 1.00 0.00 C ATOM 0 H LEU A 97 -43.664 -32.351 63.926 1.00 0.00 H new ATOM 0 HA LEU A 97 -41.971 -33.883 65.845 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -44.668 -32.676 66.433 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -43.326 -32.964 67.522 1.00 0.00 H new ATOM 0 HG LEU A 97 -43.457 -30.804 65.445 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -43.751 -29.315 67.612 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -45.056 -30.517 67.475 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -43.688 -30.811 68.574 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -41.659 -29.604 66.619 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -41.432 -31.017 67.677 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -41.130 -31.157 65.928 1.00 0.00 H new ATOM 1490 N VAL A 98 -43.758 -35.811 66.203 1.00 0.00 N ATOM 1491 CA VAL A 98 -44.669 -36.999 66.137 1.00 0.00 C ATOM 1492 C VAL A 98 -45.053 -37.325 67.574 1.00 0.00 C ATOM 1493 O VAL A 98 -44.199 -37.693 68.358 1.00 0.00 O ATOM 1494 CB VAL A 98 -43.947 -38.191 65.532 1.00 0.00 C ATOM 1495 CG1 VAL A 98 -44.948 -39.370 65.460 1.00 0.00 C ATOM 1496 CG2 VAL A 98 -43.505 -37.831 64.110 1.00 0.00 C ATOM 0 H VAL A 98 -43.032 -35.860 66.918 1.00 0.00 H new ATOM 0 HA VAL A 98 -45.540 -36.783 65.519 1.00 0.00 H new ATOM 0 HB VAL A 98 -43.078 -38.460 66.133 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -44.454 -40.241 65.028 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -45.298 -39.612 66.463 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -45.797 -39.089 64.837 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -42.985 -38.679 63.665 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -44.380 -37.585 63.508 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -42.835 -36.972 64.144 1.00 0.00 H new ATOM 1506 N PHE A 99 -46.311 -37.193 67.920 1.00 0.00 N ATOM 1507 CA PHE A 99 -46.734 -37.504 69.329 1.00 0.00 C ATOM 1508 C PHE A 99 -47.541 -38.813 69.345 1.00 0.00 C ATOM 1509 O PHE A 99 -48.030 -39.300 68.346 1.00 0.00 O ATOM 1510 CB PHE A 99 -47.687 -36.428 69.955 1.00 0.00 C ATOM 1511 CG PHE A 99 -47.035 -35.072 70.296 1.00 0.00 C ATOM 1512 CD1 PHE A 99 -46.173 -34.445 69.432 1.00 0.00 C ATOM 1513 CD2 PHE A 99 -47.328 -34.435 71.497 1.00 0.00 C ATOM 1514 CE1 PHE A 99 -45.634 -33.228 69.777 1.00 0.00 C ATOM 1515 CE2 PHE A 99 -46.771 -33.207 71.817 1.00 0.00 C ATOM 1516 CZ PHE A 99 -45.918 -32.608 70.946 1.00 0.00 C ATOM 0 H PHE A 99 -47.059 -36.887 67.298 1.00 0.00 H new ATOM 0 HA PHE A 99 -45.808 -37.550 69.903 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -48.509 -36.251 69.262 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -48.121 -36.840 70.866 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -45.920 -34.904 68.488 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -48.004 -34.907 72.195 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -44.956 -32.747 69.087 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -47.014 -32.729 72.754 1.00 0.00 H new ATOM 0 HZ PHE A 99 -45.474 -31.652 71.183 1.00 0.00 H new ATOM 1526 N ASP A 100 -47.629 -39.313 70.544 1.00 0.00 N ATOM 1527 CA ASP A 100 -48.372 -40.569 70.856 1.00 0.00 C ATOM 1528 C ASP A 100 -49.226 -40.037 72.003 1.00 0.00 C ATOM 1529 O ASP A 100 -48.801 -40.113 73.135 1.00 0.00 O ATOM 1530 CB ASP A 100 -47.399 -41.646 71.337 1.00 0.00 C ATOM 1531 CG ASP A 100 -46.405 -41.952 70.216 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -45.728 -41.016 69.823 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -46.380 -43.105 69.819 1.00 0.00 O ATOM 0 H ASP A 100 -47.195 -38.882 71.360 1.00 0.00 H new ATOM 0 HA ASP A 100 -48.921 -41.033 70.037 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -46.870 -41.306 72.227 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -47.943 -42.549 71.615 1.00 0.00 H new ATOM 1538 N VAL A 101 -50.402 -39.517 71.732 1.00 0.00 N ATOM 1539 CA VAL A 101 -51.256 -38.960 72.846 1.00 0.00 C ATOM 1540 C VAL A 101 -52.412 -39.826 73.326 1.00 0.00 C ATOM 1541 O VAL A 101 -53.013 -40.577 72.584 1.00 0.00 O ATOM 1542 CB VAL A 101 -51.860 -37.626 72.398 1.00 0.00 C ATOM 1543 CG1 VAL A 101 -52.574 -36.912 73.568 1.00 0.00 C ATOM 1544 CG2 VAL A 101 -50.814 -36.727 71.761 1.00 0.00 C ATOM 0 H VAL A 101 -50.809 -39.452 70.799 1.00 0.00 H new ATOM 0 HA VAL A 101 -50.565 -38.882 73.685 1.00 0.00 H new ATOM 0 HB VAL A 101 -52.609 -37.846 71.638 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -52.992 -35.968 73.218 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -53.376 -37.546 73.946 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -51.858 -36.717 74.367 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -51.278 -35.789 71.455 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -50.023 -36.522 72.482 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -50.390 -37.224 70.888 1.00 0.00 H new ATOM 1554 N GLU A 102 -52.674 -39.667 74.599 1.00 0.00 N ATOM 1555 CA GLU A 102 -53.777 -40.406 75.282 1.00 0.00 C ATOM 1556 C GLU A 102 -54.642 -39.391 76.062 1.00 0.00 C ATOM 1557 O GLU A 102 -54.268 -38.987 77.145 1.00 0.00 O ATOM 1558 CB GLU A 102 -53.166 -41.425 76.237 1.00 0.00 C ATOM 1559 CG GLU A 102 -54.290 -42.311 76.771 1.00 0.00 C ATOM 1560 CD GLU A 102 -53.725 -43.304 77.793 1.00 0.00 C ATOM 1561 OE1 GLU A 102 -52.526 -43.245 78.011 1.00 0.00 O ATOM 1562 OE2 GLU A 102 -54.533 -44.067 78.297 1.00 0.00 O ATOM 0 H GLU A 102 -52.153 -39.037 75.209 1.00 0.00 H new ATOM 0 HA GLU A 102 -54.401 -40.927 74.556 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -52.418 -42.028 75.722 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -52.657 -40.920 77.058 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -55.061 -41.696 77.235 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -54.763 -42.849 75.950 1.00 0.00 H new ATOM 1569 N LEU A 103 -55.767 -38.985 75.523 1.00 0.00 N ATOM 1570 CA LEU A 103 -56.617 -37.998 76.275 1.00 0.00 C ATOM 1571 C LEU A 103 -57.261 -38.757 77.423 1.00 0.00 C ATOM 1572 O LEU A 103 -58.002 -39.701 77.216 1.00 0.00 O ATOM 1573 CB LEU A 103 -57.704 -37.406 75.322 1.00 0.00 C ATOM 1574 CG LEU A 103 -58.774 -36.526 76.065 1.00 0.00 C ATOM 1575 CD1 LEU A 103 -58.144 -35.261 76.720 1.00 0.00 C ATOM 1576 CD2 LEU A 103 -59.846 -36.077 75.036 1.00 0.00 C ATOM 0 H LEU A 103 -56.130 -39.283 74.618 1.00 0.00 H new ATOM 0 HA LEU A 103 -56.023 -37.166 76.655 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -57.216 -36.802 74.557 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -58.210 -38.223 74.808 1.00 0.00 H new ATOM 0 HG LEU A 103 -59.213 -37.128 76.860 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -58.922 -34.685 77.221 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -57.392 -35.565 77.448 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -57.677 -34.647 75.950 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -60.597 -35.465 75.536 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -59.371 -35.495 74.246 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -60.324 -36.955 74.602 1.00 0.00 H new ATOM 1588 N LEU A 104 -56.962 -38.317 78.622 1.00 0.00 N ATOM 1589 CA LEU A 104 -57.526 -38.994 79.826 1.00 0.00 C ATOM 1590 C LEU A 104 -58.909 -38.472 80.199 1.00 0.00 C ATOM 1591 O LEU A 104 -59.872 -39.212 80.220 1.00 0.00 O ATOM 1592 CB LEU A 104 -56.576 -38.786 81.038 1.00 0.00 C ATOM 1593 CG LEU A 104 -55.113 -38.744 80.588 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -54.242 -38.734 81.842 1.00 0.00 C ATOM 1595 CD2 LEU A 104 -54.749 -39.997 79.796 1.00 0.00 C ATOM 0 H LEU A 104 -56.354 -37.521 78.816 1.00 0.00 H new ATOM 0 HA LEU A 104 -57.619 -40.051 79.579 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -56.830 -37.857 81.548 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -56.716 -39.593 81.757 1.00 0.00 H new ATOM 0 HG LEU A 104 -54.960 -37.863 79.964 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -53.191 -38.704 81.555 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -54.479 -37.856 82.443 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -54.433 -39.635 82.425 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -53.705 -39.942 79.488 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -54.898 -40.878 80.420 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -55.384 -40.067 78.913 1.00 0.00 H new ATOM 1607 N LYS A 105 -58.962 -37.200 80.479 1.00 0.00 N ATOM 1608 CA LYS A 105 -60.256 -36.586 80.866 1.00 0.00 C ATOM 1609 C LYS A 105 -60.126 -35.061 80.870 1.00 0.00 C ATOM 1610 O LYS A 105 -59.095 -34.534 80.504 1.00 0.00 O ATOM 1611 CB LYS A 105 -60.625 -37.160 82.266 1.00 0.00 C ATOM 1612 CG LYS A 105 -62.026 -36.721 82.741 1.00 0.00 C ATOM 1613 CD LYS A 105 -62.431 -37.578 83.949 1.00 0.00 C ATOM 1614 CE LYS A 105 -63.830 -37.158 84.406 1.00 0.00 C ATOM 1615 NZ LYS A 105 -63.828 -35.717 84.789 1.00 0.00 N ATOM 0 H LYS A 105 -58.166 -36.563 80.456 1.00 0.00 H new ATOM 0 HA LYS A 105 -61.051 -36.822 80.159 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -60.583 -38.249 82.230 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -59.881 -36.836 82.994 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -62.019 -35.665 83.013 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -62.751 -36.838 81.936 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -62.423 -38.635 83.682 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -61.715 -37.449 84.760 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -64.550 -37.329 83.606 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -64.144 -37.768 85.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -64.636 -35.523 85.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -62.943 -35.491 85.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -63.903 -35.130 83.934 1.00 0.00 H new ATOM 1629 N LEU A 106 -61.159 -34.361 81.271 1.00 0.00 N ATOM 1630 CA LEU A 106 -61.097 -32.860 81.306 1.00 0.00 C ATOM 1631 C LEU A 106 -61.055 -32.421 82.772 1.00 0.00 C ATOM 1632 O LEU A 106 -61.416 -33.167 83.661 1.00 0.00 O ATOM 1633 CB LEU A 106 -62.354 -32.259 80.653 1.00 0.00 C ATOM 1634 CG LEU A 106 -62.698 -32.962 79.339 1.00 0.00 C ATOM 1635 CD1 LEU A 106 -63.977 -32.321 78.795 1.00 0.00 C ATOM 1636 CD2 LEU A 106 -61.586 -32.767 78.306 1.00 0.00 C ATOM 0 H LEU A 106 -62.046 -34.762 81.577 1.00 0.00 H new ATOM 0 HA LEU A 106 -60.215 -32.519 80.764 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -63.196 -32.340 81.341 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -62.195 -31.197 80.467 1.00 0.00 H new ATOM 0 HG LEU A 106 -62.821 -34.030 79.521 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -64.253 -32.800 77.855 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -64.783 -32.448 79.517 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -63.807 -31.258 78.625 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -61.855 -33.277 77.381 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -61.455 -31.703 78.109 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -60.655 -33.182 78.691 1.00 0.00 H new ATOM 1648 N GLU A 107 -60.610 -31.210 82.991 1.00 0.00 N ATOM 1649 CA GLU A 107 -60.523 -30.659 84.387 1.00 0.00 C ATOM 1650 C GLU A 107 -61.148 -29.260 84.422 1.00 0.00 C ATOM 1651 O GLU A 107 -61.389 -28.758 83.336 1.00 0.00 O ATOM 1652 CB GLU A 107 -59.035 -30.622 84.789 1.00 0.00 C ATOM 1653 CG GLU A 107 -58.884 -29.972 86.169 1.00 0.00 C ATOM 1654 CD GLU A 107 -57.444 -30.150 86.664 1.00 0.00 C ATOM 1655 OE1 GLU A 107 -56.674 -30.735 85.918 1.00 0.00 O ATOM 1656 OE2 GLU A 107 -57.198 -29.687 87.765 1.00 0.00 O ATOM 1657 OXT GLU A 107 -61.350 -28.774 85.522 1.00 0.00 O ATOM 0 H GLU A 107 -60.300 -30.571 82.260 1.00 0.00 H new ATOM 0 HA GLU A 107 -61.070 -31.283 85.093 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -58.629 -31.633 84.807 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -58.463 -30.062 84.049 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -59.132 -28.912 86.112 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -59.581 -30.425 86.874 1.00 0.00 H new