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 Set 2.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 70 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 3 GLN : amide:sc= -4.72! K(o=-4.7!,f=-1) 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+ 162:sc= -0.0799 (180deg=-0.597) USER MOD Single : A 20 GLN : amide:sc= -0.593 K(o=-0.59,f=-2.1!) USER MOD Single : A 22 CYS SG : rot 131:sc= -1.56 USER MOD Single : A 25 HIS : no HD1:sc= -0.0039 X(o=-0.0039,f=-0.014) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.000635 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.0408 (180deg=-0.497) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.66! K(o=-2.7!,f=-0.83) USER MOD Single : A 66 MET CE :methyl 168:sc= -2.74 (180deg=-2.99!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0189 USER MOD Single : A 73 LYS NZ :NH3+ -104:sc= -1.65 (180deg=-4.5!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 27:sc= 0.477 USER MOD Single : A 105 LYS NZ :NH3+ -109:sc= -2.34 (180deg=-5.16!) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -51.976 -31.530 60.273 1.00 0.00 N ATOM 11 CA VAL A 2 -51.800 -32.542 61.371 1.00 0.00 C ATOM 12 C VAL A 2 -52.743 -33.699 61.056 1.00 0.00 C ATOM 13 O VAL A 2 -53.832 -33.496 60.556 1.00 0.00 O ATOM 14 CB VAL A 2 -52.170 -31.902 62.722 1.00 0.00 C ATOM 15 CG1 VAL A 2 -53.647 -31.487 62.727 1.00 0.00 C ATOM 16 CG2 VAL A 2 -51.951 -32.916 63.861 1.00 0.00 C ATOM 0 HA VAL A 2 -50.769 -32.891 61.434 1.00 0.00 H new ATOM 0 HB VAL A 2 -51.538 -31.027 62.869 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -53.895 -31.036 63.688 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -53.825 -30.764 61.930 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -54.272 -32.365 62.566 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -52.215 -32.456 64.813 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -52.579 -33.791 63.695 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -50.904 -33.219 63.882 1.00 0.00 H new ATOM 26 N GLN A 3 -52.312 -34.897 61.351 1.00 0.00 N ATOM 27 CA GLN A 3 -53.155 -36.107 61.084 1.00 0.00 C ATOM 28 C GLN A 3 -53.379 -36.832 62.406 1.00 0.00 C ATOM 29 O GLN A 3 -52.619 -36.675 63.341 1.00 0.00 O ATOM 30 CB GLN A 3 -52.408 -37.005 60.092 1.00 0.00 C ATOM 31 CG GLN A 3 -53.260 -38.236 59.767 1.00 0.00 C ATOM 32 CD GLN A 3 -52.531 -39.075 58.716 1.00 0.00 C ATOM 33 OE1 GLN A 3 -52.255 -38.622 57.623 1.00 0.00 O ATOM 34 NE2 GLN A 3 -52.201 -40.304 59.008 1.00 0.00 N ATOM 0 H GLN A 3 -51.403 -35.094 61.770 1.00 0.00 H new ATOM 0 HA GLN A 3 -54.121 -35.835 60.658 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -52.189 -36.451 59.179 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -51.452 -37.314 60.515 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -53.432 -38.825 60.668 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -54.238 -37.931 59.395 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -52.430 -40.690 59.924 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -51.714 -40.878 58.320 1.00 0.00 H new ATOM 43 N VAL A 4 -54.424 -37.618 62.454 1.00 0.00 N ATOM 44 CA VAL A 4 -54.768 -38.393 63.691 1.00 0.00 C ATOM 45 C VAL A 4 -54.819 -39.878 63.333 1.00 0.00 C ATOM 46 O VAL A 4 -55.652 -40.309 62.559 1.00 0.00 O ATOM 47 CB VAL A 4 -56.138 -37.978 64.205 1.00 0.00 C ATOM 48 CG1 VAL A 4 -56.412 -38.649 65.558 1.00 0.00 C ATOM 49 CG2 VAL A 4 -56.191 -36.467 64.348 1.00 0.00 C ATOM 0 H VAL A 4 -55.067 -37.760 61.675 1.00 0.00 H new ATOM 0 HA VAL A 4 -54.018 -38.199 64.458 1.00 0.00 H new ATOM 0 HB VAL A 4 -56.903 -38.295 63.496 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -57.395 -38.348 65.921 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -56.385 -39.732 65.439 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -55.651 -38.344 66.276 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -57.173 -36.171 64.716 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -55.426 -36.141 65.052 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -56.012 -36.003 63.378 1.00 0.00 H new ATOM 59 N GLU A 5 -53.924 -40.630 63.907 1.00 0.00 N ATOM 60 CA GLU A 5 -53.858 -42.109 63.654 1.00 0.00 C ATOM 61 C GLU A 5 -54.134 -42.767 65.003 1.00 0.00 C ATOM 62 O GLU A 5 -53.244 -42.952 65.809 1.00 0.00 O ATOM 63 CB GLU A 5 -52.463 -42.476 63.149 1.00 0.00 C ATOM 64 CG GLU A 5 -52.192 -41.706 61.853 1.00 0.00 C ATOM 65 CD GLU A 5 -50.792 -42.050 61.334 1.00 0.00 C ATOM 66 OE1 GLU A 5 -50.137 -42.839 61.995 1.00 0.00 O ATOM 67 OE2 GLU A 5 -50.458 -41.498 60.298 1.00 0.00 O ATOM 0 H GLU A 5 -53.218 -40.281 64.555 1.00 0.00 H new ATOM 0 HA GLU A 5 -54.575 -42.436 62.901 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -51.712 -42.229 63.900 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -52.395 -43.549 62.972 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -52.941 -41.960 61.103 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -52.271 -40.634 62.032 1.00 0.00 H new ATOM 74 N THR A 6 -55.378 -43.105 65.215 1.00 0.00 N ATOM 75 CA THR A 6 -55.746 -43.743 66.508 1.00 0.00 C ATOM 76 C THR A 6 -55.219 -45.166 66.694 1.00 0.00 C ATOM 77 O THR A 6 -54.941 -45.884 65.755 1.00 0.00 O ATOM 78 CB THR A 6 -57.275 -43.729 66.610 1.00 0.00 C ATOM 79 OG1 THR A 6 -57.611 -42.356 66.478 1.00 0.00 O ATOM 80 CG2 THR A 6 -57.748 -44.080 68.026 1.00 0.00 C ATOM 0 H THR A 6 -56.145 -42.968 64.557 1.00 0.00 H new ATOM 0 HA THR A 6 -55.272 -43.167 67.303 1.00 0.00 H new ATOM 0 HB THR A 6 -57.704 -44.421 65.885 1.00 0.00 H new ATOM 0 HG1 THR A 6 -58.584 -42.251 66.530 1.00 0.00 H new ATOM 0 HG21 THR A 6 -58.837 -44.060 68.061 1.00 0.00 H new ATOM 0 HG22 THR A 6 -57.394 -45.076 68.291 1.00 0.00 H new ATOM 0 HG23 THR A 6 -57.349 -43.353 68.734 1.00 0.00 H new ATOM 88 N ILE A 7 -55.107 -45.510 67.951 1.00 0.00 N ATOM 89 CA ILE A 7 -54.614 -46.852 68.388 1.00 0.00 C ATOM 90 C ILE A 7 -55.704 -47.478 69.258 1.00 0.00 C ATOM 91 O ILE A 7 -56.169 -48.569 68.998 1.00 0.00 O ATOM 92 CB ILE A 7 -53.324 -46.689 69.215 1.00 0.00 C ATOM 93 CG1 ILE A 7 -52.278 -45.974 68.332 1.00 0.00 C ATOM 94 CG2 ILE A 7 -52.815 -48.101 69.600 1.00 0.00 C ATOM 95 CD1 ILE A 7 -51.097 -45.471 69.180 1.00 0.00 C ATOM 0 H ILE A 7 -55.347 -44.889 68.724 1.00 0.00 H new ATOM 0 HA ILE A 7 -54.396 -47.482 67.525 1.00 0.00 H new ATOM 0 HB ILE A 7 -53.501 -46.107 70.119 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -51.915 -46.658 67.565 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -52.744 -45.135 67.816 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -51.901 -48.011 70.187 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -53.575 -48.614 70.189 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -52.610 -48.673 68.695 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -50.374 -44.971 68.536 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -51.461 -44.769 69.930 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -50.619 -46.316 69.675 1.00 0.00 H new ATOM 107 N SER A 8 -56.085 -46.756 70.284 1.00 0.00 N ATOM 108 CA SER A 8 -57.146 -47.246 71.232 1.00 0.00 C ATOM 109 C SER A 8 -58.329 -46.272 71.307 1.00 0.00 C ATOM 110 O SER A 8 -58.395 -45.470 72.216 1.00 0.00 O ATOM 111 CB SER A 8 -56.535 -47.399 72.623 1.00 0.00 C ATOM 112 OG SER A 8 -57.602 -47.928 73.396 1.00 0.00 O ATOM 0 H SER A 8 -55.704 -45.837 70.511 1.00 0.00 H new ATOM 0 HA SER A 8 -57.518 -48.203 70.865 1.00 0.00 H new ATOM 0 HB2 SER A 8 -55.676 -48.070 72.613 1.00 0.00 H new ATOM 0 HB3 SER A 8 -56.189 -46.443 73.017 1.00 0.00 H new ATOM 0 HG SER A 8 -57.301 -48.064 74.319 1.00 0.00 H new ATOM 118 N PRO A 9 -59.233 -46.352 70.364 1.00 0.00 N ATOM 119 CA PRO A 9 -60.432 -45.482 70.345 1.00 0.00 C ATOM 120 C PRO A 9 -60.994 -45.254 71.752 1.00 0.00 C ATOM 121 O PRO A 9 -60.665 -45.960 72.685 1.00 0.00 O ATOM 122 CB PRO A 9 -61.369 -46.216 69.394 1.00 0.00 C ATOM 123 CG PRO A 9 -60.373 -46.767 68.342 1.00 0.00 C ATOM 124 CD PRO A 9 -59.212 -47.295 69.212 1.00 0.00 C ATOM 0 HA PRO A 9 -60.241 -44.464 70.005 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -61.919 -47.013 69.894 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -62.107 -45.549 68.950 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -60.819 -47.558 67.739 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -60.041 -45.990 67.653 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -59.374 -48.326 69.526 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -58.260 -47.269 68.681 1.00 0.00 H new ATOM 132 N GLY A 10 -61.838 -44.263 71.865 1.00 0.00 N ATOM 133 CA GLY A 10 -62.477 -43.917 73.175 1.00 0.00 C ATOM 134 C GLY A 10 -63.975 -44.075 72.935 1.00 0.00 C ATOM 135 O GLY A 10 -64.359 -44.556 71.888 1.00 0.00 O ATOM 0 H GLY A 10 -62.119 -43.664 71.089 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -62.132 -44.579 73.970 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -62.231 -42.899 73.478 1.00 0.00 H new ATOM 139 N ASP A 11 -64.787 -43.685 73.883 1.00 0.00 N ATOM 140 CA ASP A 11 -66.258 -43.821 73.689 1.00 0.00 C ATOM 141 C ASP A 11 -66.704 -43.477 72.261 1.00 0.00 C ATOM 142 O ASP A 11 -67.292 -44.288 71.573 1.00 0.00 O ATOM 143 CB ASP A 11 -66.974 -42.905 74.701 1.00 0.00 C ATOM 144 CG ASP A 11 -66.364 -41.497 74.712 1.00 0.00 C ATOM 145 OD1 ASP A 11 -65.311 -41.336 74.117 1.00 0.00 O ATOM 146 OD2 ASP A 11 -66.994 -40.656 75.330 1.00 0.00 O ATOM 0 H ASP A 11 -64.497 -43.282 74.774 1.00 0.00 H new ATOM 0 HA ASP A 11 -66.525 -44.865 73.854 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -68.033 -42.842 74.451 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -66.907 -43.340 75.698 1.00 0.00 H new ATOM 151 N GLY A 12 -66.408 -42.272 71.856 1.00 0.00 N ATOM 152 CA GLY A 12 -66.778 -41.792 70.490 1.00 0.00 C ATOM 153 C GLY A 12 -67.998 -40.909 70.698 1.00 0.00 C ATOM 154 O GLY A 12 -68.795 -40.693 69.806 1.00 0.00 O ATOM 0 H GLY A 12 -65.915 -41.584 72.426 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -65.961 -41.234 70.033 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -67.004 -42.627 69.826 1.00 0.00 H new ATOM 158 N ARG A 13 -68.095 -40.421 71.907 1.00 0.00 N ATOM 159 CA ARG A 13 -69.226 -39.533 72.317 1.00 0.00 C ATOM 160 C ARG A 13 -68.722 -38.254 72.983 1.00 0.00 C ATOM 161 O ARG A 13 -69.257 -37.193 72.726 1.00 0.00 O ATOM 162 CB ARG A 13 -70.125 -40.299 73.298 1.00 0.00 C ATOM 163 CG ARG A 13 -70.604 -41.640 72.684 1.00 0.00 C ATOM 164 CD ARG A 13 -71.749 -41.441 71.642 1.00 0.00 C ATOM 165 NE ARG A 13 -73.049 -41.015 72.275 1.00 0.00 N ATOM 166 CZ ARG A 13 -73.229 -40.972 73.571 1.00 0.00 C ATOM 167 NH1 ARG A 13 -73.250 -42.093 74.241 1.00 0.00 N ATOM 168 NH2 ARG A 13 -73.384 -39.813 74.150 1.00 0.00 N ATOM 0 H ARG A 13 -67.419 -40.606 72.648 1.00 0.00 H new ATOM 0 HA ARG A 13 -69.784 -39.248 71.425 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -69.579 -40.492 74.221 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -70.988 -39.686 73.560 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -69.762 -42.138 72.204 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -70.951 -42.298 73.481 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -71.443 -40.692 70.912 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -71.904 -42.372 71.097 1.00 0.00 H new ATOM 0 HE ARG A 13 -73.823 -40.748 71.666 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -73.127 -42.981 73.754 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -73.389 -42.081 75.251 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -73.364 -38.958 73.594 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -73.525 -39.762 75.159 1.00 0.00 H new ATOM 182 N THR A 14 -67.712 -38.343 73.821 1.00 0.00 N ATOM 183 CA THR A 14 -67.191 -37.107 74.505 1.00 0.00 C ATOM 184 C THR A 14 -65.827 -36.649 74.000 1.00 0.00 C ATOM 185 O THR A 14 -64.920 -37.433 73.796 1.00 0.00 O ATOM 186 CB THR A 14 -67.062 -37.384 75.979 1.00 0.00 C ATOM 187 OG1 THR A 14 -68.345 -37.837 76.384 1.00 0.00 O ATOM 188 CG2 THR A 14 -66.837 -36.092 76.777 1.00 0.00 C ATOM 0 H THR A 14 -67.229 -39.209 74.061 1.00 0.00 H new ATOM 0 HA THR A 14 -67.905 -36.313 74.287 1.00 0.00 H new ATOM 0 HB THR A 14 -66.237 -38.076 76.149 1.00 0.00 H new ATOM 0 HG1 THR A 14 -68.333 -38.040 77.343 1.00 0.00 H new ATOM 0 HG21 THR A 14 -66.748 -36.330 77.837 1.00 0.00 H new ATOM 0 HG22 THR A 14 -65.922 -35.608 76.436 1.00 0.00 H new ATOM 0 HG23 THR A 14 -67.681 -35.419 76.625 1.00 0.00 H new ATOM 196 N PHE A 15 -65.735 -35.358 73.814 1.00 0.00 N ATOM 197 CA PHE A 15 -64.484 -34.698 73.332 1.00 0.00 C ATOM 198 C PHE A 15 -64.259 -33.521 74.284 1.00 0.00 C ATOM 199 O PHE A 15 -65.090 -33.301 75.142 1.00 0.00 O ATOM 200 CB PHE A 15 -64.725 -34.217 71.930 1.00 0.00 C ATOM 201 CG PHE A 15 -65.154 -35.426 71.115 1.00 0.00 C ATOM 202 CD1 PHE A 15 -66.476 -35.816 71.111 1.00 0.00 C ATOM 203 CD2 PHE A 15 -64.225 -36.129 70.380 1.00 0.00 C ATOM 204 CE1 PHE A 15 -66.875 -36.911 70.369 1.00 0.00 C ATOM 205 CE2 PHE A 15 -64.621 -37.222 69.636 1.00 0.00 C ATOM 206 CZ PHE A 15 -65.944 -37.613 69.630 1.00 0.00 C ATOM 0 H PHE A 15 -66.505 -34.710 73.983 1.00 0.00 H new ATOM 0 HA PHE A 15 -63.617 -35.358 73.321 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -65.496 -33.447 71.913 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -63.821 -33.772 71.514 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -67.202 -35.264 71.690 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -63.189 -35.825 70.386 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -67.911 -37.216 70.367 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -63.894 -37.772 69.057 1.00 0.00 H new ATOM 0 HZ PHE A 15 -66.251 -38.469 69.047 1.00 0.00 H new ATOM 216 N PRO A 16 -63.187 -32.780 74.151 1.00 0.00 N ATOM 217 CA PRO A 16 -63.115 -31.458 74.818 1.00 0.00 C ATOM 218 C PRO A 16 -64.058 -30.449 74.152 1.00 0.00 C ATOM 219 O PRO A 16 -64.312 -30.519 72.967 1.00 0.00 O ATOM 220 CB PRO A 16 -61.636 -31.046 74.707 1.00 0.00 C ATOM 221 CG PRO A 16 -60.903 -32.355 74.296 1.00 0.00 C ATOM 222 CD PRO A 16 -61.931 -33.104 73.417 1.00 0.00 C ATOM 0 HA PRO A 16 -63.438 -31.495 75.858 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -61.496 -30.261 73.963 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -61.259 -30.659 75.654 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -59.987 -32.142 73.745 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -60.620 -32.944 75.168 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -61.944 -32.740 72.390 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -61.739 -34.176 73.373 1.00 0.00 H new ATOM 230 N LYS A 17 -64.559 -29.528 74.937 1.00 0.00 N ATOM 231 CA LYS A 17 -65.484 -28.478 74.437 1.00 0.00 C ATOM 232 C LYS A 17 -64.909 -27.084 74.712 1.00 0.00 C ATOM 233 O LYS A 17 -63.903 -26.915 75.376 1.00 0.00 O ATOM 234 CB LYS A 17 -66.792 -28.663 75.151 1.00 0.00 C ATOM 235 CG LYS A 17 -67.470 -29.939 74.639 1.00 0.00 C ATOM 236 CD LYS A 17 -68.828 -30.086 75.328 1.00 0.00 C ATOM 237 CE LYS A 17 -69.542 -31.307 74.742 1.00 0.00 C ATOM 238 NZ LYS A 17 -68.719 -32.530 74.960 1.00 0.00 N ATOM 0 H LYS A 17 -64.355 -29.463 75.934 1.00 0.00 H new ATOM 0 HA LYS A 17 -65.622 -28.565 73.359 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -66.627 -28.731 76.226 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -67.437 -27.801 74.982 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -67.599 -29.890 73.558 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -66.845 -30.808 74.847 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -68.696 -30.205 76.403 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -69.428 -29.188 75.178 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -70.519 -31.427 75.211 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -69.716 -31.160 73.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -69.315 -33.374 74.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -67.946 -32.557 74.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -68.321 -32.514 75.921 1.00 0.00 H new ATOM 252 N ARG A 18 -65.600 -26.112 74.180 1.00 0.00 N ATOM 253 CA ARG A 18 -65.209 -24.697 74.328 1.00 0.00 C ATOM 254 C ARG A 18 -65.603 -24.201 75.715 1.00 0.00 C ATOM 255 O ARG A 18 -66.734 -23.838 75.965 1.00 0.00 O ATOM 256 CB ARG A 18 -65.918 -23.862 73.253 1.00 0.00 C ATOM 257 CG ARG A 18 -65.472 -22.397 73.382 1.00 0.00 C ATOM 258 CD ARG A 18 -66.132 -21.576 72.272 1.00 0.00 C ATOM 259 NE ARG A 18 -65.673 -22.126 70.953 1.00 0.00 N ATOM 260 CZ ARG A 18 -66.525 -22.584 70.071 1.00 0.00 C ATOM 261 NH1 ARG A 18 -67.349 -21.749 69.499 1.00 0.00 N ATOM 262 NH2 ARG A 18 -66.521 -23.859 69.793 1.00 0.00 N ATOM 0 H ARG A 18 -66.448 -26.255 73.631 1.00 0.00 H new ATOM 0 HA ARG A 18 -64.130 -24.599 74.209 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -65.677 -24.243 72.261 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -66.999 -23.938 73.370 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -65.752 -22.003 74.359 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -64.387 -22.326 73.308 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -67.218 -21.632 72.351 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -65.859 -20.525 72.362 1.00 0.00 H new ATOM 0 HE ARG A 18 -64.676 -22.143 70.739 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -67.322 -20.759 69.742 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -68.020 -22.087 68.809 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -65.861 -24.481 70.260 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -67.178 -24.234 69.108 1.00 0.00 H new ATOM 276 N GLY A 19 -64.631 -24.203 76.585 1.00 0.00 N ATOM 277 CA GLY A 19 -64.838 -23.752 77.996 1.00 0.00 C ATOM 278 C GLY A 19 -64.367 -24.850 78.948 1.00 0.00 C ATOM 279 O GLY A 19 -64.597 -24.780 80.139 1.00 0.00 O ATOM 0 H GLY A 19 -63.680 -24.505 76.375 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -64.285 -22.831 78.181 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -65.891 -23.531 78.169 1.00 0.00 H new ATOM 283 N GLN A 20 -63.713 -25.850 78.407 1.00 0.00 N ATOM 284 CA GLN A 20 -63.201 -26.980 79.255 1.00 0.00 C ATOM 285 C GLN A 20 -61.678 -26.962 79.235 1.00 0.00 C ATOM 286 O GLN A 20 -61.060 -26.229 78.491 1.00 0.00 O ATOM 287 CB GLN A 20 -63.668 -28.318 78.696 1.00 0.00 C ATOM 288 CG GLN A 20 -65.185 -28.449 78.782 1.00 0.00 C ATOM 289 CD GLN A 20 -65.637 -28.603 80.239 1.00 0.00 C ATOM 290 OE1 GLN A 20 -65.589 -27.685 81.033 1.00 0.00 O ATOM 291 NE2 GLN A 20 -66.087 -29.765 80.629 1.00 0.00 N ATOM 0 H GLN A 20 -63.510 -25.935 77.411 1.00 0.00 H new ATOM 0 HA GLN A 20 -63.580 -26.857 80.270 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -63.350 -28.413 77.658 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -63.198 -29.131 79.249 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -65.656 -27.570 78.342 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -65.513 -29.311 78.202 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -66.131 -30.542 79.970 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -66.394 -29.896 81.593 1.00 0.00 H new ATOM 300 N THR A 21 -61.112 -27.792 80.070 1.00 0.00 N ATOM 301 CA THR A 21 -59.620 -27.904 80.178 1.00 0.00 C ATOM 302 C THR A 21 -59.222 -29.352 79.952 1.00 0.00 C ATOM 303 O THR A 21 -59.519 -30.212 80.755 1.00 0.00 O ATOM 304 CB THR A 21 -59.171 -27.464 81.563 1.00 0.00 C ATOM 305 OG1 THR A 21 -59.546 -26.095 81.638 1.00 0.00 O ATOM 306 CG2 THR A 21 -57.640 -27.457 81.636 1.00 0.00 C ATOM 0 H THR A 21 -61.628 -28.411 80.696 1.00 0.00 H new ATOM 0 HA THR A 21 -59.147 -27.266 79.432 1.00 0.00 H new ATOM 0 HB THR A 21 -59.590 -28.110 82.335 1.00 0.00 H new ATOM 0 HG1 THR A 21 -59.290 -25.733 82.512 1.00 0.00 H new ATOM 0 HG21 THR A 21 -57.325 -27.141 82.630 1.00 0.00 H new ATOM 0 HG22 THR A 21 -57.262 -28.460 81.437 1.00 0.00 H new ATOM 0 HG23 THR A 21 -57.243 -26.765 80.893 1.00 0.00 H new ATOM 314 N CYS A 22 -58.548 -29.590 78.862 1.00 0.00 N ATOM 315 CA CYS A 22 -58.123 -30.981 78.557 1.00 0.00 C ATOM 316 C CYS A 22 -56.999 -31.418 79.487 1.00 0.00 C ATOM 317 O CYS A 22 -56.188 -30.623 79.912 1.00 0.00 O ATOM 318 CB CYS A 22 -57.600 -31.059 77.117 1.00 0.00 C ATOM 319 SG CYS A 22 -58.624 -30.409 75.777 1.00 0.00 S ATOM 0 H CYS A 22 -58.276 -28.887 78.175 1.00 0.00 H new ATOM 0 HA CYS A 22 -58.987 -31.632 78.691 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -56.645 -30.535 77.085 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -57.396 -32.107 76.897 1.00 0.00 H new ATOM 0 HG CYS A 22 -57.910 -29.623 75.028 1.00 0.00 H new ATOM 325 N VAL A 23 -57.017 -32.689 79.767 1.00 0.00 N ATOM 326 CA VAL A 23 -55.989 -33.329 80.645 1.00 0.00 C ATOM 327 C VAL A 23 -55.322 -34.306 79.668 1.00 0.00 C ATOM 328 O VAL A 23 -55.974 -35.239 79.232 1.00 0.00 O ATOM 329 CB VAL A 23 -56.681 -34.051 81.772 1.00 0.00 C ATOM 330 CG1 VAL A 23 -55.611 -34.619 82.682 1.00 0.00 C ATOM 331 CG2 VAL A 23 -57.428 -32.990 82.542 1.00 0.00 C ATOM 0 H VAL A 23 -57.723 -33.335 79.414 1.00 0.00 H new ATOM 0 HA VAL A 23 -55.283 -32.646 81.117 1.00 0.00 H new ATOM 0 HB VAL A 23 -57.339 -34.844 81.416 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -56.081 -35.149 83.510 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -54.983 -35.310 82.119 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -54.997 -33.807 83.073 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -57.955 -33.450 83.378 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -56.722 -32.250 82.920 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -58.147 -32.502 81.884 1.00 0.00 H new ATOM 341 N VAL A 24 -54.056 -34.062 79.370 1.00 0.00 N ATOM 342 CA VAL A 24 -53.238 -34.902 78.403 1.00 0.00 C ATOM 343 C VAL A 24 -51.883 -35.478 78.860 1.00 0.00 C ATOM 344 O VAL A 24 -51.190 -34.918 79.687 1.00 0.00 O ATOM 345 CB VAL A 24 -52.995 -34.023 77.082 1.00 0.00 C ATOM 346 CG1 VAL A 24 -54.207 -33.107 76.873 1.00 0.00 C ATOM 347 CG2 VAL A 24 -51.697 -33.050 76.996 1.00 0.00 C ATOM 0 H VAL A 24 -53.533 -33.284 79.773 1.00 0.00 H new ATOM 0 HA VAL A 24 -53.844 -35.798 78.268 1.00 0.00 H new ATOM 0 HB VAL A 24 -52.826 -34.793 76.330 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -54.056 -32.503 75.978 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -55.105 -33.713 76.755 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -54.322 -32.453 77.737 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -51.692 -32.534 76.036 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -51.738 -32.317 77.802 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -50.789 -33.645 77.092 1.00 0.00 H new ATOM 357 N HIS A 25 -51.568 -36.610 78.276 1.00 0.00 N ATOM 358 CA HIS A 25 -50.283 -37.341 78.561 1.00 0.00 C ATOM 359 C HIS A 25 -49.714 -37.725 77.193 1.00 0.00 C ATOM 360 O HIS A 25 -50.467 -38.064 76.303 1.00 0.00 O ATOM 361 CB HIS A 25 -50.521 -38.632 79.335 1.00 0.00 C ATOM 362 CG HIS A 25 -49.181 -39.294 79.663 1.00 0.00 C ATOM 363 ND1 HIS A 25 -48.264 -38.793 80.423 1.00 0.00 N ATOM 364 CD2 HIS A 25 -48.662 -40.511 79.256 1.00 0.00 C ATOM 365 CE1 HIS A 25 -47.262 -39.611 80.491 1.00 0.00 C ATOM 366 NE2 HIS A 25 -47.466 -40.694 79.781 1.00 0.00 N ATOM 0 H HIS A 25 -52.165 -37.074 77.592 1.00 0.00 H new ATOM 0 HA HIS A 25 -49.624 -36.708 79.155 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -51.067 -38.420 80.254 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -51.138 -39.311 78.747 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -49.164 -41.210 78.603 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -46.366 -39.423 81.064 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -46.844 -41.493 79.662 1.00 0.00 H new ATOM 374 N TYR A 26 -48.419 -37.680 77.016 1.00 0.00 N ATOM 375 CA TYR A 26 -47.867 -38.060 75.674 1.00 0.00 C ATOM 376 C TYR A 26 -46.374 -38.428 75.706 1.00 0.00 C ATOM 377 O TYR A 26 -45.722 -38.419 76.731 1.00 0.00 O ATOM 378 CB TYR A 26 -48.040 -36.902 74.718 1.00 0.00 C ATOM 379 CG TYR A 26 -47.250 -35.746 75.316 1.00 0.00 C ATOM 380 CD1 TYR A 26 -47.838 -35.019 76.306 1.00 0.00 C ATOM 381 CD2 TYR A 26 -45.963 -35.435 74.913 1.00 0.00 C ATOM 382 CE1 TYR A 26 -47.168 -34.000 76.895 1.00 0.00 C ATOM 383 CE2 TYR A 26 -45.280 -34.395 75.517 1.00 0.00 C ATOM 384 CZ TYR A 26 -45.884 -33.666 76.522 1.00 0.00 C ATOM 385 OH TYR A 26 -45.221 -32.626 77.139 1.00 0.00 O ATOM 0 H TYR A 26 -47.733 -37.405 77.719 1.00 0.00 H new ATOM 0 HA TYR A 26 -48.420 -38.943 75.354 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -47.669 -37.156 73.725 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -49.092 -36.640 74.608 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -48.843 -35.256 76.623 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -45.492 -36.005 74.126 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -47.652 -33.435 77.677 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -44.275 -34.153 75.203 1.00 0.00 H new ATOM 0 HH TYR A 26 -44.326 -32.532 76.751 1.00 0.00 H new ATOM 395 N THR A 27 -45.907 -38.743 74.531 1.00 0.00 N ATOM 396 CA THR A 27 -44.489 -39.113 74.307 1.00 0.00 C ATOM 397 C THR A 27 -44.197 -38.425 72.966 1.00 0.00 C ATOM 398 O THR A 27 -44.886 -38.685 71.997 1.00 0.00 O ATOM 399 CB THR A 27 -44.373 -40.612 74.177 1.00 0.00 C ATOM 400 OG1 THR A 27 -44.874 -41.118 75.405 1.00 0.00 O ATOM 401 CG2 THR A 27 -42.905 -41.038 74.152 1.00 0.00 C ATOM 0 H THR A 27 -46.477 -38.758 73.685 1.00 0.00 H new ATOM 0 HA THR A 27 -43.808 -38.821 75.106 1.00 0.00 H new ATOM 0 HB THR A 27 -44.883 -40.957 73.278 1.00 0.00 H new ATOM 0 HG1 THR A 27 -44.833 -42.097 75.397 1.00 0.00 H new ATOM 0 HG21 THR A 27 -42.842 -42.122 74.058 1.00 0.00 H new ATOM 0 HG22 THR A 27 -42.405 -40.571 73.304 1.00 0.00 H new ATOM 0 HG23 THR A 27 -42.420 -40.725 75.077 1.00 0.00 H new ATOM 409 N GLY A 28 -43.212 -37.567 72.909 1.00 0.00 N ATOM 410 CA GLY A 28 -42.895 -36.871 71.614 1.00 0.00 C ATOM 411 C GLY A 28 -41.675 -37.509 70.952 1.00 0.00 C ATOM 412 O GLY A 28 -40.780 -37.985 71.621 1.00 0.00 O ATOM 0 H GLY A 28 -42.613 -37.315 73.695 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -43.752 -36.928 70.943 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -42.705 -35.814 71.799 1.00 0.00 H new ATOM 416 N MET A 29 -41.661 -37.505 69.640 1.00 0.00 N ATOM 417 CA MET A 29 -40.510 -38.110 68.901 1.00 0.00 C ATOM 418 C MET A 29 -40.264 -37.351 67.593 1.00 0.00 C ATOM 419 O MET A 29 -41.053 -36.522 67.185 1.00 0.00 O ATOM 420 CB MET A 29 -40.859 -39.591 68.642 1.00 0.00 C ATOM 421 CG MET A 29 -39.592 -40.456 68.585 1.00 0.00 C ATOM 422 SD MET A 29 -38.707 -40.753 70.132 1.00 0.00 S ATOM 423 CE MET A 29 -39.579 -42.259 70.632 1.00 0.00 C ATOM 0 H MET A 29 -42.395 -37.110 69.052 1.00 0.00 H new ATOM 0 HA MET A 29 -39.590 -38.044 69.482 1.00 0.00 H new ATOM 0 HB2 MET A 29 -41.517 -39.956 69.431 1.00 0.00 H new ATOM 0 HB3 MET A 29 -41.406 -39.680 67.704 1.00 0.00 H new ATOM 0 HG2 MET A 29 -39.865 -41.424 68.164 1.00 0.00 H new ATOM 0 HG3 MET A 29 -38.898 -39.989 67.886 1.00 0.00 H new ATOM 0 HE1 MET A 29 -39.178 -42.614 71.581 1.00 0.00 H new ATOM 0 HE2 MET A 29 -40.642 -42.044 70.745 1.00 0.00 H new ATOM 0 HE3 MET A 29 -39.444 -43.028 69.871 1.00 0.00 H new ATOM 694 N PHE A 46 -49.389 -32.856 81.170 1.00 0.00 N ATOM 695 CA PHE A 46 -49.853 -31.634 80.445 1.00 0.00 C ATOM 696 C PHE A 46 -51.389 -31.614 80.380 1.00 0.00 C ATOM 697 O PHE A 46 -52.020 -32.571 79.989 1.00 0.00 O ATOM 698 CB PHE A 46 -49.106 -31.765 79.122 1.00 0.00 C ATOM 699 CG PHE A 46 -49.027 -30.527 78.203 1.00 0.00 C ATOM 700 CD1 PHE A 46 -49.943 -29.530 78.235 1.00 0.00 C ATOM 701 CD2 PHE A 46 -47.954 -30.389 77.354 1.00 0.00 C ATOM 702 CE1 PHE A 46 -49.783 -28.405 77.449 1.00 0.00 C ATOM 703 CE2 PHE A 46 -47.778 -29.285 76.561 1.00 0.00 C ATOM 704 CZ PHE A 46 -48.701 -28.279 76.610 1.00 0.00 C ATOM 0 HA PHE A 46 -49.638 -30.670 80.905 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -48.087 -32.080 79.345 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -49.572 -32.571 78.555 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -50.805 -29.615 78.880 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -47.221 -31.181 77.310 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -50.517 -27.614 77.494 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -46.922 -29.211 75.907 1.00 0.00 H new ATOM 0 HZ PHE A 46 -48.582 -27.397 75.998 1.00 0.00 H new ATOM 714 N LYS A 47 -51.917 -30.479 80.788 1.00 0.00 N ATOM 715 CA LYS A 47 -53.392 -30.218 80.806 1.00 0.00 C ATOM 716 C LYS A 47 -53.616 -28.801 80.215 1.00 0.00 C ATOM 717 O LYS A 47 -53.038 -27.864 80.729 1.00 0.00 O ATOM 718 CB LYS A 47 -53.945 -30.228 82.246 1.00 0.00 C ATOM 719 CG LYS A 47 -53.493 -31.479 83.041 1.00 0.00 C ATOM 720 CD LYS A 47 -52.141 -31.236 83.735 1.00 0.00 C ATOM 721 CE LYS A 47 -51.830 -32.455 84.597 1.00 0.00 C ATOM 722 NZ LYS A 47 -50.532 -32.247 85.295 1.00 0.00 N ATOM 0 H LYS A 47 -51.359 -29.693 81.122 1.00 0.00 H new ATOM 0 HA LYS A 47 -53.902 -30.993 80.234 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -53.613 -29.330 82.767 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -55.034 -30.194 82.215 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -54.247 -31.732 83.786 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -53.411 -32.332 82.367 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -51.355 -31.081 82.996 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -52.183 -30.336 84.348 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -52.626 -32.612 85.325 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -51.783 -33.350 83.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -50.317 -33.077 85.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -49.777 -32.117 84.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -50.594 -31.402 85.898 1.00 0.00 H new ATOM 736 N PHE A 48 -54.415 -28.624 79.180 1.00 0.00 N ATOM 737 CA PHE A 48 -54.629 -27.236 78.611 1.00 0.00 C ATOM 738 C PHE A 48 -56.085 -26.893 78.294 1.00 0.00 C ATOM 739 O PHE A 48 -56.981 -27.678 78.528 1.00 0.00 O ATOM 740 CB PHE A 48 -53.793 -27.089 77.338 1.00 0.00 C ATOM 741 CG PHE A 48 -54.219 -28.012 76.189 1.00 0.00 C ATOM 742 CD1 PHE A 48 -55.338 -27.707 75.434 1.00 0.00 C ATOM 743 CD2 PHE A 48 -53.487 -29.149 75.880 1.00 0.00 C ATOM 744 CE1 PHE A 48 -55.716 -28.524 74.389 1.00 0.00 C ATOM 745 CE2 PHE A 48 -53.873 -29.957 74.838 1.00 0.00 C ATOM 746 CZ PHE A 48 -54.974 -29.642 74.106 1.00 0.00 C ATOM 0 H PHE A 48 -54.925 -29.369 78.706 1.00 0.00 H new ATOM 0 HA PHE A 48 -54.319 -26.538 79.389 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -53.851 -26.055 76.998 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -52.749 -27.287 77.579 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -55.918 -26.825 75.664 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -52.611 -29.400 76.460 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -56.589 -28.285 73.799 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -53.302 -30.842 74.601 1.00 0.00 H new ATOM 0 HZ PHE A 48 -55.269 -30.283 73.288 1.00 0.00 H new ATOM 756 N MET A 49 -56.277 -25.709 77.763 1.00 0.00 N ATOM 757 CA MET A 49 -57.651 -25.227 77.399 1.00 0.00 C ATOM 758 C MET A 49 -57.822 -24.984 75.897 1.00 0.00 C ATOM 759 O MET A 49 -56.914 -24.548 75.217 1.00 0.00 O ATOM 760 CB MET A 49 -57.898 -23.966 78.162 1.00 0.00 C ATOM 761 CG MET A 49 -59.295 -23.390 77.884 1.00 0.00 C ATOM 762 SD MET A 49 -59.783 -21.936 78.846 1.00 0.00 S ATOM 763 CE MET A 49 -60.510 -22.819 80.249 1.00 0.00 C ATOM 0 H MET A 49 -55.529 -25.045 77.563 1.00 0.00 H new ATOM 0 HA MET A 49 -58.375 -26.000 77.657 1.00 0.00 H new ATOM 0 HB2 MET A 49 -57.792 -24.161 79.229 1.00 0.00 H new ATOM 0 HB3 MET A 49 -57.142 -23.227 77.896 1.00 0.00 H new ATOM 0 HG2 MET A 49 -59.352 -23.133 76.826 1.00 0.00 H new ATOM 0 HG3 MET A 49 -60.028 -24.177 78.061 1.00 0.00 H new ATOM 0 HE1 MET A 49 -60.882 -22.100 80.978 1.00 0.00 H new ATOM 0 HE2 MET A 49 -61.334 -23.441 79.900 1.00 0.00 H new ATOM 0 HE3 MET A 49 -59.752 -23.449 80.715 1.00 0.00 H new ATOM 773 N LEU A 50 -59.006 -25.282 75.421 1.00 0.00 N ATOM 774 CA LEU A 50 -59.366 -25.113 73.989 1.00 0.00 C ATOM 775 C LEU A 50 -59.961 -23.725 73.743 1.00 0.00 C ATOM 776 O LEU A 50 -60.961 -23.367 74.333 1.00 0.00 O ATOM 777 CB LEU A 50 -60.378 -26.190 73.649 1.00 0.00 C ATOM 778 CG LEU A 50 -60.966 -26.015 72.242 1.00 0.00 C ATOM 779 CD1 LEU A 50 -59.868 -25.959 71.193 1.00 0.00 C ATOM 780 CD2 LEU A 50 -61.871 -27.202 71.938 1.00 0.00 C ATOM 0 H LEU A 50 -59.764 -25.650 75.996 1.00 0.00 H new ATOM 0 HA LEU A 50 -58.481 -25.204 73.360 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -59.903 -27.168 73.722 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -61.184 -26.172 74.382 1.00 0.00 H new ATOM 0 HG LEU A 50 -61.525 -25.080 72.213 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -60.314 -25.835 70.206 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -59.208 -25.117 71.402 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -59.294 -26.885 71.218 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -62.295 -27.090 70.940 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -61.290 -28.123 71.984 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -62.676 -27.243 72.672 1.00 0.00 H new ATOM 792 N GLY A 51 -59.342 -22.966 72.879 1.00 0.00 N ATOM 793 CA GLY A 51 -59.856 -21.591 72.573 1.00 0.00 C ATOM 794 C GLY A 51 -58.981 -20.536 73.244 1.00 0.00 C ATOM 795 O GLY A 51 -59.092 -19.359 72.962 1.00 0.00 O ATOM 0 H GLY A 51 -58.501 -23.236 72.369 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -59.867 -21.431 71.495 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -60.885 -21.494 72.920 1.00 0.00 H new ATOM 799 N LYS A 52 -58.121 -20.980 74.126 1.00 0.00 N ATOM 800 CA LYS A 52 -57.206 -20.057 74.866 1.00 0.00 C ATOM 801 C LYS A 52 -55.764 -20.325 74.410 1.00 0.00 C ATOM 802 O LYS A 52 -54.851 -20.298 75.209 1.00 0.00 O ATOM 803 CB LYS A 52 -57.412 -20.362 76.352 1.00 0.00 C ATOM 804 CG LYS A 52 -56.791 -19.322 77.301 1.00 0.00 C ATOM 805 CD LYS A 52 -57.586 -18.002 77.299 1.00 0.00 C ATOM 806 CE LYS A 52 -57.043 -17.118 78.424 1.00 0.00 C ATOM 807 NZ LYS A 52 -55.592 -16.854 78.210 1.00 0.00 N ATOM 0 H LYS A 52 -58.013 -21.965 74.369 1.00 0.00 H new ATOM 0 HA LYS A 52 -57.411 -19.003 74.676 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -58.481 -20.428 76.553 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -56.985 -21.340 76.573 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -56.759 -19.726 78.313 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -55.761 -19.127 77.003 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -57.486 -17.499 76.337 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -58.648 -18.197 77.447 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -57.592 -16.177 78.455 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -57.194 -17.607 79.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -55.290 -16.064 78.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -55.045 -17.705 78.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -55.427 -16.608 77.213 1.00 0.00 H new ATOM 821 N GLN A 53 -55.650 -20.574 73.125 1.00 0.00 N ATOM 822 CA GLN A 53 -54.362 -20.860 72.409 1.00 0.00 C ATOM 823 C GLN A 53 -53.155 -20.857 73.335 1.00 0.00 C ATOM 824 O GLN A 53 -52.271 -20.026 73.261 1.00 0.00 O ATOM 825 CB GLN A 53 -54.184 -19.810 71.310 1.00 0.00 C ATOM 826 CG GLN A 53 -53.030 -20.233 70.394 1.00 0.00 C ATOM 827 CD GLN A 53 -52.908 -19.209 69.266 1.00 0.00 C ATOM 828 OE1 GLN A 53 -52.680 -18.038 69.496 1.00 0.00 O ATOM 829 NE2 GLN A 53 -53.055 -19.609 68.032 1.00 0.00 N ATOM 0 H GLN A 53 -56.458 -20.591 72.503 1.00 0.00 H new ATOM 0 HA GLN A 53 -54.421 -21.864 71.989 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -55.104 -19.709 70.734 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -53.976 -18.835 71.751 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -52.099 -20.288 70.958 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -53.215 -21.227 69.986 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -53.247 -20.591 67.834 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -52.978 -18.940 67.266 1.00 0.00 H new ATOM 838 N GLU A 54 -53.182 -21.830 74.200 1.00 0.00 N ATOM 839 CA GLU A 54 -52.096 -22.012 75.204 1.00 0.00 C ATOM 840 C GLU A 54 -51.128 -23.038 74.638 1.00 0.00 C ATOM 841 O GLU A 54 -49.962 -23.041 74.981 1.00 0.00 O ATOM 842 CB GLU A 54 -52.708 -22.519 76.510 1.00 0.00 C ATOM 843 CG GLU A 54 -51.600 -22.694 77.552 1.00 0.00 C ATOM 844 CD GLU A 54 -52.227 -23.222 78.844 1.00 0.00 C ATOM 845 OE1 GLU A 54 -53.081 -22.518 79.357 1.00 0.00 O ATOM 846 OE2 GLU A 54 -51.815 -24.300 79.241 1.00 0.00 O ATOM 0 H GLU A 54 -53.928 -22.523 74.255 1.00 0.00 H new ATOM 0 HA GLU A 54 -51.575 -21.076 75.407 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -53.456 -21.814 76.872 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -53.219 -23.467 76.342 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -50.843 -23.388 77.187 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -51.099 -21.744 77.735 1.00 0.00 H new ATOM 853 N VAL A 55 -51.624 -23.897 73.778 1.00 0.00 N ATOM 854 CA VAL A 55 -50.728 -24.947 73.170 1.00 0.00 C ATOM 855 C VAL A 55 -50.761 -24.884 71.641 1.00 0.00 C ATOM 856 O VAL A 55 -51.735 -24.458 71.052 1.00 0.00 O ATOM 857 CB VAL A 55 -51.186 -26.347 73.663 1.00 0.00 C ATOM 858 CG1 VAL A 55 -51.346 -26.289 75.176 1.00 0.00 C ATOM 859 CG2 VAL A 55 -52.535 -26.821 73.098 1.00 0.00 C ATOM 0 H VAL A 55 -52.596 -23.921 73.471 1.00 0.00 H new ATOM 0 HA VAL A 55 -49.701 -24.762 73.484 1.00 0.00 H new ATOM 0 HB VAL A 55 -50.424 -27.047 73.321 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -51.668 -27.263 75.545 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -50.392 -26.024 75.633 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -52.093 -25.538 75.434 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -52.771 -27.807 73.498 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -53.317 -26.117 73.383 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -52.475 -26.876 72.011 1.00 0.00 H new ATOM 869 N ILE A 56 -49.675 -25.311 71.048 1.00 0.00 N ATOM 870 CA ILE A 56 -49.577 -25.303 69.555 1.00 0.00 C ATOM 871 C ILE A 56 -50.846 -25.869 68.908 1.00 0.00 C ATOM 872 O ILE A 56 -51.755 -26.307 69.584 1.00 0.00 O ATOM 873 CB ILE A 56 -48.325 -26.132 69.129 1.00 0.00 C ATOM 874 CG1 ILE A 56 -48.242 -27.364 70.038 1.00 0.00 C ATOM 875 CG2 ILE A 56 -47.059 -25.228 69.291 1.00 0.00 C ATOM 876 CD1 ILE A 56 -47.235 -28.385 69.521 1.00 0.00 C ATOM 0 H ILE A 56 -48.851 -25.665 71.533 1.00 0.00 H new ATOM 0 HA ILE A 56 -49.473 -24.274 69.211 1.00 0.00 H new ATOM 0 HB ILE A 56 -48.391 -26.459 68.091 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -47.961 -27.054 71.045 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -49.225 -27.829 70.111 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -46.171 -25.789 68.998 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -47.157 -24.347 68.657 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -46.965 -24.917 70.331 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -47.207 -29.242 70.194 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -47.530 -28.715 68.525 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -46.246 -27.929 69.474 1.00 0.00 H new ATOM 888 N ARG A 57 -50.886 -25.856 67.598 1.00 0.00 N ATOM 889 CA ARG A 57 -52.064 -26.368 66.857 1.00 0.00 C ATOM 890 C ARG A 57 -52.083 -27.893 66.760 1.00 0.00 C ATOM 891 O ARG A 57 -53.055 -28.486 67.185 1.00 0.00 O ATOM 892 CB ARG A 57 -52.057 -25.729 65.458 1.00 0.00 C ATOM 893 CG ARG A 57 -53.293 -26.209 64.688 1.00 0.00 C ATOM 894 CD ARG A 57 -53.501 -25.314 63.460 1.00 0.00 C ATOM 895 NE ARG A 57 -52.215 -25.245 62.688 1.00 0.00 N ATOM 896 CZ ARG A 57 -51.623 -24.101 62.453 1.00 0.00 C ATOM 897 NH1 ARG A 57 -50.891 -23.564 63.391 1.00 0.00 N ATOM 898 NH2 ARG A 57 -51.787 -23.536 61.289 1.00 0.00 N ATOM 0 H ARG A 57 -50.133 -25.504 67.006 1.00 0.00 H new ATOM 0 HA ARG A 57 -52.968 -26.095 67.401 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -52.062 -24.642 65.540 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -51.148 -26.004 64.922 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -53.164 -27.246 64.379 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -54.173 -26.175 65.331 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -54.297 -25.714 62.832 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -53.810 -24.315 63.769 1.00 0.00 H new ATOM 0 HE ARG A 57 -51.794 -26.106 62.340 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -50.787 -24.035 64.290 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -50.423 -22.673 63.225 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -52.368 -23.985 60.581 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -51.334 -22.645 61.086 1.00 0.00 H new ATOM 912 N GLY A 58 -51.046 -28.477 66.203 1.00 0.00 N ATOM 913 CA GLY A 58 -50.939 -29.969 66.060 1.00 0.00 C ATOM 914 C GLY A 58 -51.667 -30.694 67.197 1.00 0.00 C ATOM 915 O GLY A 58 -52.216 -31.767 67.045 1.00 0.00 O ATOM 0 H GLY A 58 -50.245 -27.966 65.830 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -51.361 -30.275 65.103 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -49.889 -30.261 66.054 1.00 0.00 H new ATOM 919 N TRP A 59 -51.637 -30.050 68.332 1.00 0.00 N ATOM 920 CA TRP A 59 -52.295 -30.596 69.554 1.00 0.00 C ATOM 921 C TRP A 59 -53.736 -30.079 69.582 1.00 0.00 C ATOM 922 O TRP A 59 -54.660 -30.827 69.331 1.00 0.00 O ATOM 923 CB TRP A 59 -51.519 -30.095 70.799 1.00 0.00 C ATOM 924 CG TRP A 59 -50.491 -31.123 71.271 1.00 0.00 C ATOM 925 CD1 TRP A 59 -49.825 -32.011 70.484 1.00 0.00 C ATOM 926 CD2 TRP A 59 -50.139 -31.311 72.558 1.00 0.00 C ATOM 927 NE1 TRP A 59 -49.102 -32.698 71.352 1.00 0.00 N ATOM 928 CE2 TRP A 59 -49.227 -32.354 72.627 1.00 0.00 C ATOM 929 CE3 TRP A 59 -50.533 -30.645 73.717 1.00 0.00 C ATOM 930 CZ2 TRP A 59 -48.736 -32.735 73.856 1.00 0.00 C ATOM 931 CZ3 TRP A 59 -50.026 -31.035 74.923 1.00 0.00 C ATOM 932 CH2 TRP A 59 -49.153 -32.065 74.971 1.00 0.00 C ATOM 0 H TRP A 59 -51.175 -29.151 68.466 1.00 0.00 H new ATOM 0 HA TRP A 59 -52.296 -31.686 69.552 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -51.015 -29.158 70.562 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -52.221 -29.884 71.606 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -49.875 -32.127 69.411 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -48.482 -33.452 71.057 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -51.235 -29.826 73.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -48.033 -33.550 73.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -50.320 -30.526 75.829 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -48.768 -32.372 75.932 1.00 0.00 H new ATOM 943 N GLU A 60 -53.863 -28.810 69.895 1.00 0.00 N ATOM 944 CA GLU A 60 -55.199 -28.131 69.972 1.00 0.00 C ATOM 945 C GLU A 60 -56.177 -28.742 68.966 1.00 0.00 C ATOM 946 O GLU A 60 -57.253 -29.184 69.307 1.00 0.00 O ATOM 947 CB GLU A 60 -55.015 -26.650 69.673 1.00 0.00 C ATOM 948 CG GLU A 60 -56.291 -25.907 70.067 1.00 0.00 C ATOM 949 CD GLU A 60 -56.141 -24.417 69.742 1.00 0.00 C ATOM 950 OE1 GLU A 60 -55.084 -24.066 69.242 1.00 0.00 O ATOM 951 OE2 GLU A 60 -57.099 -23.712 70.014 1.00 0.00 O ATOM 0 H GLU A 60 -53.074 -28.200 70.106 1.00 0.00 H new ATOM 0 HA GLU A 60 -55.610 -28.265 70.972 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -54.163 -26.256 70.226 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -54.804 -26.502 68.614 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -57.145 -26.322 69.532 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -56.487 -26.039 71.131 1.00 0.00 H new ATOM 958 N GLU A 61 -55.737 -28.750 67.735 1.00 0.00 N ATOM 959 CA GLU A 61 -56.552 -29.302 66.644 1.00 0.00 C ATOM 960 C GLU A 61 -56.547 -30.821 66.787 1.00 0.00 C ATOM 961 O GLU A 61 -57.591 -31.443 66.797 1.00 0.00 O ATOM 962 CB GLU A 61 -55.936 -28.852 65.314 1.00 0.00 C ATOM 963 CG GLU A 61 -56.755 -29.426 64.154 1.00 0.00 C ATOM 964 CD GLU A 61 -56.338 -28.748 62.845 1.00 0.00 C ATOM 965 OE1 GLU A 61 -55.572 -27.803 62.940 1.00 0.00 O ATOM 966 OE2 GLU A 61 -56.816 -29.215 61.825 1.00 0.00 O ATOM 0 H GLU A 61 -54.828 -28.387 67.447 1.00 0.00 H new ATOM 0 HA GLU A 61 -57.583 -28.951 66.678 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -55.919 -27.764 65.258 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -54.902 -29.191 65.246 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -56.599 -30.502 64.083 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -57.819 -29.269 64.334 1.00 0.00 H new ATOM 973 N GLY A 62 -55.380 -31.404 66.897 1.00 0.00 N ATOM 974 CA GLY A 62 -55.332 -32.875 67.044 1.00 0.00 C ATOM 975 C GLY A 62 -56.189 -33.262 68.252 1.00 0.00 C ATOM 976 O GLY A 62 -57.332 -33.637 68.103 1.00 0.00 O ATOM 0 H GLY A 62 -54.478 -30.928 66.891 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -55.705 -33.360 66.142 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -54.304 -33.210 67.184 1.00 0.00 H new ATOM 980 N VAL A 63 -55.601 -33.154 69.414 1.00 0.00 N ATOM 981 CA VAL A 63 -56.310 -33.488 70.690 1.00 0.00 C ATOM 982 C VAL A 63 -57.822 -33.233 70.622 1.00 0.00 C ATOM 983 O VAL A 63 -58.607 -34.044 71.063 1.00 0.00 O ATOM 984 CB VAL A 63 -55.674 -32.662 71.784 1.00 0.00 C ATOM 985 CG1 VAL A 63 -56.366 -32.956 73.119 1.00 0.00 C ATOM 986 CG2 VAL A 63 -54.200 -33.054 71.908 1.00 0.00 C ATOM 0 H VAL A 63 -54.638 -32.842 69.537 1.00 0.00 H new ATOM 0 HA VAL A 63 -56.206 -34.555 70.887 1.00 0.00 H new ATOM 0 HB VAL A 63 -55.771 -31.604 71.541 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -55.906 -32.359 73.907 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -57.424 -32.704 73.044 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -56.261 -34.014 73.358 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -53.731 -32.463 72.695 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -54.125 -34.113 72.155 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -53.692 -32.865 70.962 1.00 0.00 H new ATOM 996 N ALA A 64 -58.220 -32.110 70.089 1.00 0.00 N ATOM 997 CA ALA A 64 -59.688 -31.840 69.999 1.00 0.00 C ATOM 998 C ALA A 64 -60.389 -33.033 69.351 1.00 0.00 C ATOM 999 O ALA A 64 -61.377 -33.567 69.814 1.00 0.00 O ATOM 1000 CB ALA A 64 -59.947 -30.628 69.125 1.00 0.00 C ATOM 0 H ALA A 64 -57.610 -31.381 69.719 1.00 0.00 H new ATOM 0 HA ALA A 64 -60.065 -31.666 71.007 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -61.020 -30.443 69.068 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -59.451 -29.757 69.554 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -59.557 -30.811 68.124 1.00 0.00 H new ATOM 1006 N GLN A 65 -59.775 -33.375 68.259 1.00 0.00 N ATOM 1007 CA GLN A 65 -60.188 -34.480 67.377 1.00 0.00 C ATOM 1008 C GLN A 65 -60.036 -35.832 68.086 1.00 0.00 C ATOM 1009 O GLN A 65 -60.272 -36.870 67.502 1.00 0.00 O ATOM 1010 CB GLN A 65 -59.309 -34.301 66.123 1.00 0.00 C ATOM 1011 CG GLN A 65 -59.825 -34.985 64.866 1.00 0.00 C ATOM 1012 CD GLN A 65 -58.903 -34.548 63.701 1.00 0.00 C ATOM 1013 OE1 GLN A 65 -59.023 -35.032 62.593 1.00 0.00 O ATOM 1014 NE2 GLN A 65 -57.977 -33.637 63.907 1.00 0.00 N ATOM 0 H GLN A 65 -58.942 -32.890 67.926 1.00 0.00 H new ATOM 0 HA GLN A 65 -61.243 -34.463 67.102 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -59.206 -33.235 65.921 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -58.311 -34.682 66.341 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -59.811 -36.069 64.983 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -60.858 -34.699 64.668 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -57.866 -33.223 64.833 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -57.370 -33.345 63.141 1.00 0.00 H new ATOM 1023 N MET A 66 -59.644 -35.791 69.340 1.00 0.00 N ATOM 1024 CA MET A 66 -59.473 -37.066 70.130 1.00 0.00 C ATOM 1025 C MET A 66 -60.614 -37.087 71.160 1.00 0.00 C ATOM 1026 O MET A 66 -61.130 -36.045 71.512 1.00 0.00 O ATOM 1027 CB MET A 66 -58.113 -37.053 70.851 1.00 0.00 C ATOM 1028 CG MET A 66 -57.914 -38.367 71.601 1.00 0.00 C ATOM 1029 SD MET A 66 -56.347 -38.573 72.480 1.00 0.00 S ATOM 1030 CE MET A 66 -55.405 -39.211 71.073 1.00 0.00 C ATOM 0 H MET A 66 -59.435 -34.935 69.853 1.00 0.00 H new ATOM 0 HA MET A 66 -59.502 -37.945 69.486 1.00 0.00 H new ATOM 0 HB2 MET A 66 -57.309 -36.910 70.129 1.00 0.00 H new ATOM 0 HB3 MET A 66 -58.068 -36.216 71.547 1.00 0.00 H new ATOM 0 HG2 MET A 66 -58.725 -38.473 72.322 1.00 0.00 H new ATOM 0 HG3 MET A 66 -58.013 -39.184 70.887 1.00 0.00 H new ATOM 0 HE1 MET A 66 -54.343 -39.215 71.318 1.00 0.00 H new ATOM 0 HE2 MET A 66 -55.729 -40.227 70.849 1.00 0.00 H new ATOM 0 HE3 MET A 66 -55.575 -38.576 70.204 1.00 0.00 H new ATOM 1040 N SER A 67 -60.991 -38.249 71.639 1.00 0.00 N ATOM 1041 CA SER A 67 -62.109 -38.345 72.648 1.00 0.00 C ATOM 1042 C SER A 67 -61.637 -38.864 74.001 1.00 0.00 C ATOM 1043 O SER A 67 -60.686 -39.609 74.119 1.00 0.00 O ATOM 1044 CB SER A 67 -63.176 -39.295 72.123 1.00 0.00 C ATOM 1045 OG SER A 67 -62.501 -40.544 72.069 1.00 0.00 O ATOM 0 H SER A 67 -60.574 -39.142 71.377 1.00 0.00 H new ATOM 0 HA SER A 67 -62.500 -37.337 72.789 1.00 0.00 H new ATOM 0 HB2 SER A 67 -64.042 -39.333 72.784 1.00 0.00 H new ATOM 0 HB3 SER A 67 -63.538 -38.990 71.141 1.00 0.00 H new ATOM 0 HG SER A 67 -63.114 -41.233 71.739 1.00 0.00 H new ATOM 1051 N VAL A 68 -62.357 -38.420 74.991 1.00 0.00 N ATOM 1052 CA VAL A 68 -62.076 -38.796 76.396 1.00 0.00 C ATOM 1053 C VAL A 68 -61.829 -40.284 76.617 1.00 0.00 C ATOM 1054 O VAL A 68 -62.762 -41.058 76.699 1.00 0.00 O ATOM 1055 CB VAL A 68 -63.263 -38.312 77.230 1.00 0.00 C ATOM 1056 CG1 VAL A 68 -63.148 -38.725 78.695 1.00 0.00 C ATOM 1057 CG2 VAL A 68 -63.329 -36.786 77.156 1.00 0.00 C ATOM 0 H VAL A 68 -63.153 -37.792 74.876 1.00 0.00 H new ATOM 0 HA VAL A 68 -61.141 -38.324 76.696 1.00 0.00 H new ATOM 0 HB VAL A 68 -64.164 -38.770 76.822 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -64.014 -38.358 79.246 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -63.108 -39.812 78.764 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -62.240 -38.300 79.123 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -64.172 -36.429 77.747 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -62.405 -36.362 77.549 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -63.457 -36.477 76.119 1.00 0.00 H new ATOM 1067 N GLY A 69 -60.582 -40.671 76.709 1.00 0.00 N ATOM 1068 CA GLY A 69 -60.263 -42.122 76.931 1.00 0.00 C ATOM 1069 C GLY A 69 -59.622 -42.714 75.684 1.00 0.00 C ATOM 1070 O GLY A 69 -59.345 -43.895 75.626 1.00 0.00 O ATOM 0 H GLY A 69 -59.773 -40.053 76.641 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -59.589 -42.228 77.781 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -61.173 -42.669 77.176 1.00 0.00 H new ATOM 1074 N GLN A 70 -59.398 -41.876 74.706 1.00 0.00 N ATOM 1075 CA GLN A 70 -58.766 -42.365 73.430 1.00 0.00 C ATOM 1076 C GLN A 70 -57.284 -42.001 73.378 1.00 0.00 C ATOM 1077 O GLN A 70 -56.847 -41.000 73.914 1.00 0.00 O ATOM 1078 CB GLN A 70 -59.482 -41.721 72.217 1.00 0.00 C ATOM 1079 CG GLN A 70 -58.733 -42.042 70.902 1.00 0.00 C ATOM 1080 CD GLN A 70 -59.565 -41.561 69.712 1.00 0.00 C ATOM 1081 OE1 GLN A 70 -60.695 -41.965 69.523 1.00 0.00 O ATOM 1082 NE2 GLN A 70 -59.042 -40.696 68.883 1.00 0.00 N ATOM 0 H GLN A 70 -59.621 -40.881 74.728 1.00 0.00 H new ATOM 0 HA GLN A 70 -58.864 -43.450 73.396 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -60.506 -42.089 72.156 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -59.539 -40.641 72.354 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -57.758 -41.555 70.898 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -58.554 -43.114 70.825 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -58.094 -40.352 69.035 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -59.582 -40.365 68.084 1.00 0.00 H new ATOM 1091 N ARG A 71 -56.552 -42.860 72.713 1.00 0.00 N ATOM 1092 CA ARG A 71 -55.077 -42.675 72.543 1.00 0.00 C ATOM 1093 C ARG A 71 -54.790 -42.768 71.069 1.00 0.00 C ATOM 1094 O ARG A 71 -55.384 -43.551 70.349 1.00 0.00 O ATOM 1095 CB ARG A 71 -54.309 -43.765 73.262 1.00 0.00 C ATOM 1096 CG ARG A 71 -52.800 -43.675 72.977 1.00 0.00 C ATOM 1097 CD ARG A 71 -52.111 -44.787 73.772 1.00 0.00 C ATOM 1098 NE ARG A 71 -50.687 -44.871 73.307 1.00 0.00 N ATOM 1099 CZ ARG A 71 -49.688 -44.647 74.120 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -49.397 -43.415 74.440 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -49.014 -45.662 74.587 1.00 0.00 N ATOM 0 H ARG A 71 -56.924 -43.701 72.271 1.00 0.00 H new ATOM 0 HA ARG A 71 -54.771 -41.715 72.958 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -54.483 -43.686 74.335 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -54.682 -44.740 72.949 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -52.604 -43.789 71.911 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -52.413 -42.699 73.269 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -52.152 -44.574 74.840 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -52.620 -45.738 73.617 1.00 0.00 H new ATOM 0 HE ARG A 71 -50.494 -45.108 72.334 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -49.946 -42.645 74.057 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -48.621 -43.222 75.073 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -49.270 -46.612 74.317 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -48.232 -45.506 75.222 1.00 0.00 H new ATOM 1115 N ALA A 72 -53.856 -41.951 70.671 1.00 0.00 N ATOM 1116 CA ALA A 72 -53.472 -41.932 69.222 1.00 0.00 C ATOM 1117 C ALA A 72 -52.039 -41.520 68.972 1.00 0.00 C ATOM 1118 O ALA A 72 -51.311 -41.162 69.873 1.00 0.00 O ATOM 1119 CB ALA A 72 -54.372 -40.958 68.483 1.00 0.00 C ATOM 0 H ALA A 72 -53.346 -41.303 71.271 1.00 0.00 H new ATOM 0 HA ALA A 72 -53.584 -42.956 68.865 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -54.099 -40.939 67.428 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -55.410 -41.274 68.583 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -54.254 -39.961 68.907 1.00 0.00 H new ATOM 1125 N LYS A 73 -51.711 -41.594 67.708 1.00 0.00 N ATOM 1126 CA LYS A 73 -50.358 -41.234 67.194 1.00 0.00 C ATOM 1127 C LYS A 73 -50.640 -40.099 66.219 1.00 0.00 C ATOM 1128 O LYS A 73 -51.089 -40.314 65.112 1.00 0.00 O ATOM 1129 CB LYS A 73 -49.728 -42.441 66.474 1.00 0.00 C ATOM 1130 CG LYS A 73 -48.358 -42.022 65.899 1.00 0.00 C ATOM 1131 CD LYS A 73 -47.695 -43.162 65.090 1.00 0.00 C ATOM 1132 CE LYS A 73 -47.240 -44.322 65.994 1.00 0.00 C ATOM 1133 NZ LYS A 73 -48.398 -45.137 66.457 1.00 0.00 N ATOM 0 H LYS A 73 -52.356 -41.903 66.981 1.00 0.00 H new ATOM 0 HA LYS A 73 -49.657 -40.947 67.977 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -49.607 -43.273 67.168 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -50.383 -42.786 65.674 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -48.485 -41.150 65.258 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -47.698 -41.725 66.714 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -48.399 -43.536 64.347 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -46.837 -42.768 64.546 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -46.541 -44.957 65.450 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -46.705 -43.925 66.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -48.609 -44.908 67.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -49.229 -44.926 65.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -48.165 -46.147 66.377 1.00 0.00 H new ATOM 1147 N LEU A 74 -50.370 -38.898 66.653 1.00 0.00 N ATOM 1148 CA LEU A 74 -50.626 -37.723 65.762 1.00 0.00 C ATOM 1149 C LEU A 74 -49.306 -37.379 65.074 1.00 0.00 C ATOM 1150 O LEU A 74 -48.240 -37.586 65.617 1.00 0.00 O ATOM 1151 CB LEU A 74 -51.102 -36.522 66.608 1.00 0.00 C ATOM 1152 CG LEU A 74 -52.069 -36.976 67.700 1.00 0.00 C ATOM 1153 CD1 LEU A 74 -52.516 -35.751 68.499 1.00 0.00 C ATOM 1154 CD2 LEU A 74 -53.290 -37.633 67.091 1.00 0.00 C ATOM 0 H LEU A 74 -49.988 -38.678 67.573 1.00 0.00 H new ATOM 0 HA LEU A 74 -51.397 -37.954 65.027 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -50.243 -36.027 67.060 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -51.590 -35.790 65.965 1.00 0.00 H new ATOM 0 HG LEU A 74 -51.564 -37.696 68.344 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -53.207 -36.060 69.283 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -51.646 -35.274 68.950 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -53.014 -35.045 67.834 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -53.967 -37.950 67.885 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -53.800 -36.922 66.441 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -52.983 -38.501 66.508 1.00 0.00 H new ATOM 1166 N THR A 75 -49.422 -36.857 63.885 1.00 0.00 N ATOM 1167 CA THR A 75 -48.222 -36.463 63.082 1.00 0.00 C ATOM 1168 C THR A 75 -48.387 -34.971 62.860 1.00 0.00 C ATOM 1169 O THR A 75 -49.327 -34.553 62.218 1.00 0.00 O ATOM 1170 CB THR A 75 -48.239 -37.212 61.750 1.00 0.00 C ATOM 1171 OG1 THR A 75 -48.193 -38.581 62.122 1.00 0.00 O ATOM 1172 CG2 THR A 75 -46.930 -36.985 60.991 1.00 0.00 C ATOM 0 H THR A 75 -50.315 -36.682 63.424 1.00 0.00 H new ATOM 0 HA THR A 75 -47.279 -36.698 63.575 1.00 0.00 H new ATOM 0 HB THR A 75 -49.092 -36.903 61.145 1.00 0.00 H new ATOM 0 HG1 THR A 75 -48.202 -39.139 61.317 1.00 0.00 H new ATOM 0 HG21 THR A 75 -46.959 -37.526 60.045 1.00 0.00 H new ATOM 0 HG22 THR A 75 -46.802 -35.920 60.797 1.00 0.00 H new ATOM 0 HG23 THR A 75 -46.095 -37.347 61.590 1.00 0.00 H new ATOM 1180 N ILE A 76 -47.481 -34.188 63.383 1.00 0.00 N ATOM 1181 CA ILE A 76 -47.571 -32.702 63.216 1.00 0.00 C ATOM 1182 C ILE A 76 -46.577 -32.291 62.143 1.00 0.00 C ATOM 1183 O ILE A 76 -45.486 -32.824 62.064 1.00 0.00 O ATOM 1184 CB ILE A 76 -47.217 -32.039 64.545 1.00 0.00 C ATOM 1185 CG1 ILE A 76 -48.114 -32.669 65.636 1.00 0.00 C ATOM 1186 CG2 ILE A 76 -47.481 -30.526 64.379 1.00 0.00 C ATOM 1187 CD1 ILE A 76 -47.770 -32.131 67.028 1.00 0.00 C ATOM 0 H ILE A 76 -46.678 -34.512 63.922 1.00 0.00 H new ATOM 0 HA ILE A 76 -48.576 -32.397 62.923 1.00 0.00 H new ATOM 0 HB ILE A 76 -46.176 -32.185 64.834 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -49.160 -32.460 65.413 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -47.996 -33.752 65.624 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -47.240 -30.011 65.309 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -46.858 -30.134 63.575 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -48.531 -30.364 64.136 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -48.420 -32.596 67.769 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -46.731 -32.363 67.261 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -47.914 -31.051 67.046 1.00 0.00 H new ATOM 1199 N SER A 77 -47.001 -31.326 61.362 1.00 0.00 N ATOM 1200 CA SER A 77 -46.185 -30.774 60.230 1.00 0.00 C ATOM 1201 C SER A 77 -45.528 -29.433 60.612 1.00 0.00 C ATOM 1202 O SER A 77 -46.032 -28.735 61.470 1.00 0.00 O ATOM 1203 CB SER A 77 -47.158 -30.613 59.049 1.00 0.00 C ATOM 1204 OG SER A 77 -48.214 -29.861 59.627 1.00 0.00 O ATOM 0 H SER A 77 -47.913 -30.882 61.466 1.00 0.00 H new ATOM 0 HA SER A 77 -45.362 -31.440 59.972 1.00 0.00 H new ATOM 0 HB2 SER A 77 -46.697 -30.090 58.211 1.00 0.00 H new ATOM 0 HB3 SER A 77 -47.503 -31.576 58.672 1.00 0.00 H new ATOM 0 HG SER A 77 -48.904 -29.694 58.952 1.00 0.00 H new ATOM 1210 N PRO A 78 -44.426 -29.094 59.981 1.00 0.00 N ATOM 1211 CA PRO A 78 -43.637 -27.882 60.327 1.00 0.00 C ATOM 1212 C PRO A 78 -44.408 -26.571 60.569 1.00 0.00 C ATOM 1213 O PRO A 78 -44.091 -25.842 61.487 1.00 0.00 O ATOM 1214 CB PRO A 78 -42.599 -27.778 59.166 1.00 0.00 C ATOM 1215 CG PRO A 78 -43.218 -28.628 58.047 1.00 0.00 C ATOM 1216 CD PRO A 78 -43.788 -29.804 58.830 1.00 0.00 C ATOM 0 HA PRO A 78 -43.195 -28.006 61.316 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -42.454 -26.745 58.850 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -41.623 -28.160 59.466 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -43.991 -28.086 57.502 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -42.475 -28.945 57.315 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -44.509 -30.377 58.247 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -43.013 -30.500 59.152 1.00 0.00 H new ATOM 1224 N ASP A 79 -45.399 -26.279 59.760 1.00 0.00 N ATOM 1225 CA ASP A 79 -46.197 -25.032 59.905 1.00 0.00 C ATOM 1226 C ASP A 79 -47.419 -25.063 60.842 1.00 0.00 C ATOM 1227 O ASP A 79 -48.298 -24.233 60.728 1.00 0.00 O ATOM 1228 CB ASP A 79 -46.635 -24.611 58.486 1.00 0.00 C ATOM 1229 CG ASP A 79 -47.222 -25.815 57.746 1.00 0.00 C ATOM 1230 OD1 ASP A 79 -48.209 -26.335 58.235 1.00 0.00 O ATOM 1231 OD2 ASP A 79 -46.640 -26.143 56.724 1.00 0.00 O ATOM 0 H ASP A 79 -45.691 -26.874 58.985 1.00 0.00 H new ATOM 0 HA ASP A 79 -45.539 -24.319 60.402 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -47.375 -23.813 58.546 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -45.782 -24.214 57.935 1.00 0.00 H new ATOM 1236 N TYR A 80 -47.460 -26.008 61.747 1.00 0.00 N ATOM 1237 CA TYR A 80 -48.595 -26.131 62.721 1.00 0.00 C ATOM 1238 C TYR A 80 -48.064 -25.852 64.132 1.00 0.00 C ATOM 1239 O TYR A 80 -48.737 -25.230 64.929 1.00 0.00 O ATOM 1240 CB TYR A 80 -49.203 -27.580 62.621 1.00 0.00 C ATOM 1241 CG TYR A 80 -50.470 -27.565 61.747 1.00 0.00 C ATOM 1242 CD1 TYR A 80 -50.410 -26.951 60.520 1.00 0.00 C ATOM 1243 CD2 TYR A 80 -51.663 -28.128 62.168 1.00 0.00 C ATOM 1244 CE1 TYR A 80 -51.521 -26.888 59.708 1.00 0.00 C ATOM 1245 CE2 TYR A 80 -52.777 -28.063 61.353 1.00 0.00 C ATOM 1246 CZ TYR A 80 -52.713 -27.445 60.120 1.00 0.00 C ATOM 1247 OH TYR A 80 -53.831 -27.384 59.313 1.00 0.00 O ATOM 0 H TYR A 80 -46.737 -26.719 61.856 1.00 0.00 H new ATOM 0 HA TYR A 80 -49.381 -25.411 62.493 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -48.467 -28.263 62.196 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -49.444 -27.951 63.617 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -49.481 -26.512 60.188 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -51.723 -28.616 63.130 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -51.458 -26.401 58.746 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -53.707 -28.500 61.684 1.00 0.00 H new ATOM 0 HH TYR A 80 -54.582 -27.828 59.760 1.00 0.00 H new ATOM 1457 N THR A 96 -40.673 -32.856 61.564 1.00 0.00 N ATOM 1458 CA THR A 96 -42.087 -33.297 61.742 1.00 0.00 C ATOM 1459 C THR A 96 -42.098 -33.927 63.129 1.00 0.00 C ATOM 1460 O THR A 96 -41.180 -34.657 63.448 1.00 0.00 O ATOM 1461 CB THR A 96 -42.418 -34.339 60.673 1.00 0.00 C ATOM 1462 OG1 THR A 96 -42.044 -33.703 59.459 1.00 0.00 O ATOM 1463 CG2 THR A 96 -43.925 -34.528 60.510 1.00 0.00 C ATOM 0 HA THR A 96 -42.816 -32.492 61.649 1.00 0.00 H new ATOM 0 HB THR A 96 -41.940 -35.287 60.920 1.00 0.00 H new ATOM 0 HG1 THR A 96 -41.332 -33.053 59.636 1.00 0.00 H new ATOM 0 HG21 THR A 96 -44.117 -35.276 59.741 1.00 0.00 H new ATOM 0 HG22 THR A 96 -44.354 -34.860 61.455 1.00 0.00 H new ATOM 0 HG23 THR A 96 -44.381 -33.582 60.217 1.00 0.00 H new ATOM 1471 N LEU A 97 -43.093 -33.670 63.945 1.00 0.00 N ATOM 1472 CA LEU A 97 -43.115 -34.279 65.298 1.00 0.00 C ATOM 1473 C LEU A 97 -44.188 -35.362 65.236 1.00 0.00 C ATOM 1474 O LEU A 97 -45.145 -35.260 64.495 1.00 0.00 O ATOM 1475 CB LEU A 97 -43.514 -33.222 66.324 1.00 0.00 C ATOM 1476 CG LEU A 97 -42.747 -31.905 66.164 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -43.082 -30.946 67.311 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -41.243 -32.173 66.238 1.00 0.00 C ATOM 0 H LEU A 97 -43.885 -33.066 63.727 1.00 0.00 H new ATOM 0 HA LEU A 97 -42.143 -34.681 65.585 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -44.583 -33.025 66.237 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -43.343 -33.615 67.326 1.00 0.00 H new ATOM 0 HG LEU A 97 -43.028 -31.470 65.205 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -42.528 -30.016 67.181 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -44.151 -30.735 67.308 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -42.805 -31.404 68.261 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -40.700 -31.235 66.124 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -41.000 -32.618 67.203 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -40.956 -32.858 65.440 1.00 0.00 H new ATOM 1490 N VAL A 98 -43.997 -36.383 66.021 1.00 0.00 N ATOM 1491 CA VAL A 98 -44.967 -37.516 66.066 1.00 0.00 C ATOM 1492 C VAL A 98 -45.235 -37.780 67.532 1.00 0.00 C ATOM 1493 O VAL A 98 -44.409 -38.356 68.211 1.00 0.00 O ATOM 1494 CB VAL A 98 -44.352 -38.752 65.424 1.00 0.00 C ATOM 1495 CG1 VAL A 98 -45.396 -39.882 65.455 1.00 0.00 C ATOM 1496 CG2 VAL A 98 -44.010 -38.435 63.968 1.00 0.00 C ATOM 0 H VAL A 98 -43.196 -36.484 66.645 1.00 0.00 H new ATOM 0 HA VAL A 98 -45.884 -37.279 65.526 1.00 0.00 H new ATOM 0 HB VAL A 98 -43.451 -39.051 65.960 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -44.976 -40.778 64.999 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -45.671 -40.095 66.488 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -46.282 -39.574 64.900 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -43.569 -39.314 63.498 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -44.918 -38.155 63.434 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -43.299 -37.609 63.933 1.00 0.00 H new ATOM 1506 N PHE A 99 -46.374 -37.368 68.021 1.00 0.00 N ATOM 1507 CA PHE A 99 -46.660 -37.616 69.466 1.00 0.00 C ATOM 1508 C PHE A 99 -47.506 -38.885 69.530 1.00 0.00 C ATOM 1509 O PHE A 99 -48.018 -39.365 68.540 1.00 0.00 O ATOM 1510 CB PHE A 99 -47.518 -36.510 70.127 1.00 0.00 C ATOM 1511 CG PHE A 99 -46.765 -35.194 70.368 1.00 0.00 C ATOM 1512 CD1 PHE A 99 -46.144 -34.557 69.327 1.00 0.00 C ATOM 1513 CD2 PHE A 99 -46.721 -34.617 71.631 1.00 0.00 C ATOM 1514 CE1 PHE A 99 -45.495 -33.363 69.537 1.00 0.00 C ATOM 1515 CE2 PHE A 99 -46.072 -33.422 71.852 1.00 0.00 C ATOM 1516 CZ PHE A 99 -45.451 -32.788 70.789 1.00 0.00 C ATOM 0 H PHE A 99 -47.103 -36.882 67.499 1.00 0.00 H new ATOM 0 HA PHE A 99 -45.703 -37.667 69.986 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -48.384 -36.311 69.496 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -47.897 -36.879 71.080 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -46.164 -34.993 68.339 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -47.206 -35.116 72.457 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -45.012 -32.868 68.708 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -46.048 -32.986 72.840 1.00 0.00 H new ATOM 0 HZ PHE A 99 -44.936 -31.851 70.940 1.00 0.00 H new ATOM 1526 N ASP A 100 -47.607 -39.374 70.731 1.00 0.00 N ATOM 1527 CA ASP A 100 -48.403 -40.597 71.037 1.00 0.00 C ATOM 1528 C ASP A 100 -49.213 -39.948 72.150 1.00 0.00 C ATOM 1529 O ASP A 100 -48.841 -40.066 73.298 1.00 0.00 O ATOM 1530 CB ASP A 100 -47.511 -41.714 71.583 1.00 0.00 C ATOM 1531 CG ASP A 100 -46.385 -42.009 70.587 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -46.373 -41.350 69.560 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -45.598 -42.882 70.915 1.00 0.00 O ATOM 0 H ASP A 100 -47.153 -38.961 71.546 1.00 0.00 H new ATOM 0 HA ASP A 100 -48.944 -41.075 70.220 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -47.091 -41.420 72.545 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -48.102 -42.613 71.755 1.00 0.00 H new ATOM 1538 N VAL A 101 -50.303 -39.282 71.844 1.00 0.00 N ATOM 1539 CA VAL A 101 -51.085 -38.621 72.947 1.00 0.00 C ATOM 1540 C VAL A 101 -52.280 -39.411 73.422 1.00 0.00 C ATOM 1541 O VAL A 101 -52.910 -40.151 72.694 1.00 0.00 O ATOM 1542 CB VAL A 101 -51.611 -37.244 72.482 1.00 0.00 C ATOM 1543 CG1 VAL A 101 -52.217 -36.450 73.646 1.00 0.00 C ATOM 1544 CG2 VAL A 101 -50.522 -36.416 71.833 1.00 0.00 C ATOM 0 H VAL A 101 -50.680 -39.167 70.903 1.00 0.00 H new ATOM 0 HA VAL A 101 -50.380 -38.538 73.774 1.00 0.00 H new ATOM 0 HB VAL A 101 -52.387 -37.447 71.744 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -52.576 -35.488 73.282 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -53.049 -37.010 74.074 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -51.457 -36.288 74.410 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -50.932 -35.456 71.520 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -49.716 -36.251 72.548 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -50.133 -36.945 70.963 1.00 0.00 H new ATOM 1554 N GLU A 102 -52.539 -39.202 74.683 1.00 0.00 N ATOM 1555 CA GLU A 102 -53.676 -39.860 75.376 1.00 0.00 C ATOM 1556 C GLU A 102 -54.495 -38.752 76.036 1.00 0.00 C ATOM 1557 O GLU A 102 -54.032 -38.124 76.967 1.00 0.00 O ATOM 1558 CB GLU A 102 -53.132 -40.819 76.429 1.00 0.00 C ATOM 1559 CG GLU A 102 -54.303 -41.632 76.986 1.00 0.00 C ATOM 1560 CD GLU A 102 -53.802 -42.573 78.087 1.00 0.00 C ATOM 1561 OE1 GLU A 102 -52.609 -42.529 78.347 1.00 0.00 O ATOM 1562 OE2 GLU A 102 -54.646 -43.282 78.607 1.00 0.00 O ATOM 0 H GLU A 102 -51.990 -38.582 75.278 1.00 0.00 H new ATOM 0 HA GLU A 102 -54.295 -40.430 74.683 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -52.384 -41.480 75.991 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -52.639 -40.266 77.228 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -55.065 -40.963 77.385 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -54.771 -42.208 76.187 1.00 0.00 H new ATOM 1569 N LEU A 103 -55.688 -38.510 75.556 1.00 0.00 N ATOM 1570 CA LEU A 103 -56.508 -37.429 76.200 1.00 0.00 C ATOM 1571 C LEU A 103 -57.038 -38.154 77.426 1.00 0.00 C ATOM 1572 O LEU A 103 -57.821 -39.081 77.322 1.00 0.00 O ATOM 1573 CB LEU A 103 -57.665 -37.001 75.263 1.00 0.00 C ATOM 1574 CG LEU A 103 -58.701 -36.090 75.994 1.00 0.00 C ATOM 1575 CD1 LEU A 103 -58.094 -34.726 76.422 1.00 0.00 C ATOM 1576 CD2 LEU A 103 -59.872 -35.815 75.021 1.00 0.00 C ATOM 0 H LEU A 103 -56.123 -38.994 74.771 1.00 0.00 H new ATOM 0 HA LEU A 103 -55.961 -36.513 76.426 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -57.258 -36.469 74.403 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -58.169 -37.888 74.880 1.00 0.00 H new ATOM 0 HG LEU A 103 -59.027 -36.608 76.895 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -58.856 -34.131 76.926 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -57.259 -34.897 77.101 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -57.741 -34.192 75.540 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -60.610 -35.179 75.510 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -59.495 -35.313 74.130 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -60.338 -36.758 74.736 1.00 0.00 H new ATOM 1588 N LEU A 104 -56.594 -37.700 78.567 1.00 0.00 N ATOM 1589 CA LEU A 104 -57.044 -38.361 79.823 1.00 0.00 C ATOM 1590 C LEU A 104 -58.474 -38.002 80.156 1.00 0.00 C ATOM 1591 O LEU A 104 -59.323 -38.861 80.283 1.00 0.00 O ATOM 1592 CB LEU A 104 -56.154 -37.948 81.027 1.00 0.00 C ATOM 1593 CG LEU A 104 -54.647 -37.962 80.685 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -53.818 -38.036 81.984 1.00 0.00 C ATOM 1595 CD2 LEU A 104 -54.260 -39.181 79.860 1.00 0.00 C ATOM 0 H LEU A 104 -55.952 -36.916 78.683 1.00 0.00 H new ATOM 0 HA LEU A 104 -56.964 -39.434 79.651 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -56.438 -36.949 81.358 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -56.340 -38.625 81.861 1.00 0.00 H new ATOM 0 HG LEU A 104 -54.448 -37.051 80.120 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -52.756 -38.046 81.738 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -54.038 -37.169 82.606 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -54.073 -38.946 82.527 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -53.192 -39.149 79.643 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -54.490 -40.087 80.420 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -54.821 -39.181 78.925 1.00 0.00 H new ATOM 1607 N LYS A 105 -58.720 -36.733 80.292 1.00 0.00 N ATOM 1608 CA LYS A 105 -60.105 -36.316 80.623 1.00 0.00 C ATOM 1609 C LYS A 105 -60.196 -34.789 80.621 1.00 0.00 C ATOM 1610 O LYS A 105 -59.267 -34.107 80.237 1.00 0.00 O ATOM 1611 CB LYS A 105 -60.516 -36.879 82.040 1.00 0.00 C ATOM 1612 CG LYS A 105 -62.006 -37.286 82.022 1.00 0.00 C ATOM 1613 CD LYS A 105 -62.542 -37.536 83.449 1.00 0.00 C ATOM 1614 CE LYS A 105 -61.775 -38.671 84.149 1.00 0.00 C ATOM 1615 NZ LYS A 105 -60.426 -38.208 84.579 1.00 0.00 N ATOM 0 H LYS A 105 -58.039 -35.981 80.191 1.00 0.00 H new ATOM 0 HA LYS A 105 -60.788 -36.717 79.874 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -59.897 -37.739 82.295 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -60.344 -36.124 82.807 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -62.593 -36.501 81.544 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -62.131 -38.188 81.422 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -62.457 -36.622 84.036 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -63.602 -37.787 83.402 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -62.339 -39.018 85.015 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -61.675 -39.520 83.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -59.700 -38.655 83.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -60.366 -37.174 84.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -60.269 -38.471 85.573 1.00 0.00 H new ATOM 1629 N LEU A 106 -61.322 -34.275 81.050 1.00 0.00 N ATOM 1630 CA LEU A 106 -61.524 -32.791 81.096 1.00 0.00 C ATOM 1631 C LEU A 106 -61.747 -32.392 82.563 1.00 0.00 C ATOM 1632 O LEU A 106 -62.175 -33.191 83.372 1.00 0.00 O ATOM 1633 CB LEU A 106 -62.782 -32.385 80.302 1.00 0.00 C ATOM 1634 CG LEU A 106 -62.874 -33.128 78.977 1.00 0.00 C ATOM 1635 CD1 LEU A 106 -64.153 -32.668 78.277 1.00 0.00 C ATOM 1636 CD2 LEU A 106 -61.685 -32.809 78.080 1.00 0.00 C ATOM 0 H LEU A 106 -62.118 -34.824 81.374 1.00 0.00 H new ATOM 0 HA LEU A 106 -60.653 -32.298 80.665 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -63.671 -32.592 80.898 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -62.765 -31.311 80.117 1.00 0.00 H new ATOM 0 HG LEU A 106 -62.879 -34.201 79.166 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -64.250 -33.183 77.321 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -65.014 -32.900 78.903 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -64.108 -31.592 78.107 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -61.780 -33.355 77.142 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -61.660 -31.739 77.876 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -60.763 -33.105 78.580 1.00 0.00 H new ATOM 1648 N GLU A 107 -61.447 -31.158 82.870 1.00 0.00 N ATOM 1649 CA GLU A 107 -61.635 -30.643 84.279 1.00 0.00 C ATOM 1650 C GLU A 107 -62.642 -29.491 84.262 1.00 0.00 C ATOM 1651 O GLU A 107 -63.144 -29.231 83.181 1.00 0.00 O ATOM 1652 CB GLU A 107 -60.322 -30.114 84.850 1.00 0.00 C ATOM 1653 CG GLU A 107 -59.291 -31.218 84.765 1.00 0.00 C ATOM 1654 CD GLU A 107 -57.951 -30.699 85.291 1.00 0.00 C ATOM 1655 OE1 GLU A 107 -57.471 -29.748 84.698 1.00 0.00 O ATOM 1656 OE2 GLU A 107 -57.488 -31.286 86.256 1.00 0.00 O ATOM 1657 OXT GLU A 107 -62.851 -28.939 85.330 1.00 0.00 O ATOM 0 H GLU A 107 -61.078 -30.474 82.210 1.00 0.00 H new ATOM 0 HA GLU A 107 -61.990 -31.468 84.897 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -59.989 -29.239 84.291 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -60.457 -29.799 85.885 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -59.615 -32.080 85.349 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -59.185 -31.554 83.733 1.00 0.00 H new