USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 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 60 GLN : amide:sc= -1.31 K(o=-1.9,f=-0.3) USER MOD Set 1.2: A 67 GLN : amide:sc= -0.551 K(o=-1.9,f=-0.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -131:sc= -0.0816 (180deg=-0.527) USER MOD Single : A 6 MET CE :methyl -177:sc= -0.149 (180deg=-0.177) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0369) USER MOD Single : A 19 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.33) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.15) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.49) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0596 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.764 K(o=-0.76,f=-3.1!) USER MOD Single : A 62 ASN : amide:sc= -0.649 K(o=-0.65,f=-1.8) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -71:sc= 0.522 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.493 -2.398 -1.995 1.00 0.00 N ATOM 2 CA MET A 1 2.657 -3.296 -1.206 1.00 0.00 C ATOM 3 C MET A 1 1.720 -4.097 -2.104 1.00 0.00 C ATOM 4 O MET A 1 1.826 -5.320 -2.194 1.00 0.00 O ATOM 5 CB MET A 1 1.846 -2.502 -0.180 1.00 0.00 C ATOM 6 CG MET A 1 2.704 -1.761 0.832 1.00 0.00 C ATOM 7 SD MET A 1 3.492 -2.867 2.017 1.00 0.00 S ATOM 8 CE MET A 1 2.294 -2.848 3.348 1.00 0.00 C ATOM 0 H1 MET A 1 4.486 -2.505 -1.706 1.00 0.00 H new ATOM 0 H2 MET A 1 3.399 -2.633 -3.004 1.00 0.00 H new ATOM 0 H3 MET A 1 3.190 -1.415 -1.839 1.00 0.00 H new ATOM 0 HA MET A 1 3.310 -3.993 -0.681 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.216 -1.784 -0.705 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.180 -3.183 0.350 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.471 -1.193 0.305 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.086 -1.041 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.641 -3.488 4.159 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.175 -1.829 3.716 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.336 -3.215 2.980 1.00 0.00 H new ATOM 18 N ASP A 2 0.803 -3.399 -2.765 1.00 0.00 N ATOM 19 CA ASP A 2 -0.153 -4.046 -3.657 1.00 0.00 C ATOM 20 C ASP A 2 0.296 -3.931 -5.110 1.00 0.00 C ATOM 21 O ASP A 2 -0.528 -3.824 -6.018 1.00 0.00 O ATOM 22 CB ASP A 2 -1.541 -3.425 -3.488 1.00 0.00 C ATOM 23 CG ASP A 2 -1.913 -3.227 -2.032 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.373 -4.200 -1.400 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.745 -2.098 -1.525 1.00 0.00 O ATOM 0 H ASP A 2 0.701 -2.386 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.202 -5.103 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.571 -2.464 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.283 -4.065 -3.966 1.00 0.00 H new ATOM 30 N ARG A 3 1.608 -3.952 -5.323 1.00 0.00 N ATOM 31 CA ARG A 3 2.167 -3.848 -6.665 1.00 0.00 C ATOM 32 C ARG A 3 2.018 -5.166 -7.420 1.00 0.00 C ATOM 33 O ARG A 3 1.814 -6.219 -6.815 1.00 0.00 O ATOM 34 CB ARG A 3 3.642 -3.450 -6.597 1.00 0.00 C ATOM 35 CG ARG A 3 3.877 -2.086 -5.969 1.00 0.00 C ATOM 36 CD ARG A 3 5.199 -2.038 -5.219 1.00 0.00 C ATOM 37 NE ARG A 3 6.106 -1.036 -5.771 1.00 0.00 N ATOM 38 CZ ARG A 3 6.809 -1.215 -6.884 1.00 0.00 C ATOM 39 NH1 ARG A 3 6.710 -2.352 -7.559 1.00 0.00 N ATOM 40 NH2 ARG A 3 7.614 -0.256 -7.324 1.00 0.00 N ATOM 0 H ARG A 3 2.304 -4.040 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 3 1.615 -3.077 -7.203 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.186 -4.202 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.057 -3.453 -7.605 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.870 -1.321 -6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.061 -1.854 -5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.012 -1.817 -4.168 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.674 -3.018 -5.259 1.00 0.00 H new ATOM 0 HE ARG A 3 6.205 -0.150 -5.275 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.093 -3.092 -7.224 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.251 -2.487 -8.413 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.694 0.620 -6.807 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.153 -0.395 -8.179 1.00 0.00 H new ATOM 54 N ILE A 4 2.122 -5.099 -8.743 1.00 0.00 N ATOM 55 CA ILE A 4 2.000 -6.286 -9.579 1.00 0.00 C ATOM 56 C ILE A 4 2.972 -6.234 -10.753 1.00 0.00 C ATOM 57 O ILE A 4 2.790 -5.456 -11.690 1.00 0.00 O ATOM 58 CB ILE A 4 0.567 -6.449 -10.120 1.00 0.00 C ATOM 59 CG1 ILE A 4 -0.428 -6.563 -8.964 1.00 0.00 C ATOM 60 CG2 ILE A 4 0.478 -7.668 -11.026 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.874 -6.563 -9.409 1.00 0.00 C ATOM 0 H ILE A 4 2.290 -4.235 -9.259 1.00 0.00 H new ATOM 0 HA ILE A 4 2.241 -7.142 -8.949 1.00 0.00 H new ATOM 0 HB ILE A 4 0.313 -5.566 -10.707 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.226 -7.480 -8.411 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.268 -5.734 -8.275 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.541 -7.770 -11.400 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.163 -7.548 -11.866 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.748 -8.561 -10.462 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.523 -6.647 -8.537 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.092 -5.634 -9.936 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.050 -7.408 -10.075 1.00 0.00 H new ATOM 73 N PHE A 5 4.005 -7.069 -10.697 1.00 0.00 N ATOM 74 CA PHE A 5 5.006 -7.119 -11.756 1.00 0.00 C ATOM 75 C PHE A 5 4.458 -7.833 -12.988 1.00 0.00 C ATOM 76 O PHE A 5 3.556 -8.664 -12.887 1.00 0.00 O ATOM 77 CB PHE A 5 6.268 -7.828 -11.260 1.00 0.00 C ATOM 78 CG PHE A 5 6.004 -9.189 -10.684 1.00 0.00 C ATOM 79 CD1 PHE A 5 5.731 -10.266 -11.512 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.027 -9.392 -9.313 1.00 0.00 C ATOM 81 CE1 PHE A 5 5.488 -11.521 -10.985 1.00 0.00 C ATOM 82 CE2 PHE A 5 5.785 -10.644 -8.780 1.00 0.00 C ATOM 83 CZ PHE A 5 5.514 -11.709 -9.617 1.00 0.00 C ATOM 0 H PHE A 5 4.170 -7.720 -9.929 1.00 0.00 H new ATOM 0 HA PHE A 5 5.258 -6.095 -12.033 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.971 -7.923 -12.088 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.749 -7.209 -10.503 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.708 -10.123 -12.582 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.236 -8.562 -8.654 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.278 -12.352 -11.642 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.808 -10.790 -7.710 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.323 -12.688 -9.202 1.00 0.00 H new ATOM 93 N MET A 6 5.011 -7.502 -14.151 1.00 0.00 N ATOM 94 CA MET A 6 4.579 -8.112 -15.403 1.00 0.00 C ATOM 95 C MET A 6 5.662 -7.988 -16.470 1.00 0.00 C ATOM 96 O MET A 6 6.405 -7.007 -16.504 1.00 0.00 O ATOM 97 CB MET A 6 3.286 -7.458 -15.894 1.00 0.00 C ATOM 98 CG MET A 6 2.260 -8.454 -16.410 1.00 0.00 C ATOM 99 SD MET A 6 1.526 -9.442 -15.093 1.00 0.00 S ATOM 100 CE MET A 6 0.335 -8.283 -14.424 1.00 0.00 C ATOM 0 H MET A 6 5.758 -6.815 -14.252 1.00 0.00 H new ATOM 0 HA MET A 6 4.395 -9.170 -15.218 1.00 0.00 H new ATOM 0 HB2 MET A 6 2.846 -6.885 -15.078 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.525 -6.750 -16.688 1.00 0.00 H new ATOM 0 HG2 MET A 6 1.472 -7.917 -16.938 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.735 -9.116 -17.134 1.00 0.00 H new ATOM 0 HE1 MET A 6 -0.164 -8.730 -13.564 1.00 0.00 H new ATOM 0 HE2 MET A 6 0.848 -7.373 -14.114 1.00 0.00 H new ATOM 0 HE3 MET A 6 -0.405 -8.040 -15.187 1.00 0.00 H new ATOM 110 N THR A 7 5.746 -8.989 -17.341 1.00 0.00 N ATOM 111 CA THR A 7 6.739 -8.992 -18.408 1.00 0.00 C ATOM 112 C THR A 7 6.167 -8.405 -19.693 1.00 0.00 C ATOM 113 O THR A 7 5.013 -7.976 -19.731 1.00 0.00 O ATOM 114 CB THR A 7 7.253 -10.416 -18.692 1.00 0.00 C ATOM 115 OG1 THR A 7 6.249 -11.172 -19.377 1.00 0.00 O ATOM 116 CG2 THR A 7 7.633 -11.122 -17.399 1.00 0.00 C ATOM 0 H THR A 7 5.138 -9.808 -17.328 1.00 0.00 H new ATOM 0 HA THR A 7 7.570 -8.374 -18.068 1.00 0.00 H new ATOM 0 HB THR A 7 8.141 -10.339 -19.320 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.584 -12.075 -19.555 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.993 -12.126 -17.625 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.419 -10.560 -16.895 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.760 -11.187 -16.750 1.00 0.00 H new ATOM 124 N ARG A 8 6.980 -8.390 -20.744 1.00 0.00 N ATOM 125 CA ARG A 8 6.554 -7.855 -22.032 1.00 0.00 C ATOM 126 C ARG A 8 5.313 -8.583 -22.540 1.00 0.00 C ATOM 127 O ARG A 8 4.360 -7.959 -23.008 1.00 0.00 O ATOM 128 CB ARG A 8 7.683 -7.973 -23.056 1.00 0.00 C ATOM 129 CG ARG A 8 8.240 -9.381 -23.189 1.00 0.00 C ATOM 130 CD ARG A 8 9.481 -9.409 -24.068 1.00 0.00 C ATOM 131 NE ARG A 8 9.145 -9.408 -25.489 1.00 0.00 N ATOM 132 CZ ARG A 8 8.733 -10.486 -26.147 1.00 0.00 C ATOM 133 NH1 ARG A 8 8.606 -11.645 -25.516 1.00 0.00 N ATOM 134 NH2 ARG A 8 8.446 -10.406 -27.441 1.00 0.00 N ATOM 0 H ARG A 8 7.937 -8.742 -20.729 1.00 0.00 H new ATOM 0 HA ARG A 8 6.306 -6.802 -21.895 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.316 -7.643 -24.028 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.490 -7.297 -22.774 1.00 0.00 H new ATOM 0 HG2 ARG A 8 8.484 -9.772 -22.201 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.478 -10.036 -23.612 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.105 -8.544 -23.842 1.00 0.00 H new ATOM 0 HD3 ARG A 8 10.070 -10.296 -23.835 1.00 0.00 H new ATOM 0 HE ARG A 8 9.231 -8.532 -26.004 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.825 -11.711 -24.522 1.00 0.00 H new ATOM 0 HH12 ARG A 8 8.289 -12.471 -26.025 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.542 -9.516 -27.931 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.130 -11.234 -27.945 1.00 0.00 H new ATOM 148 N THR A 9 5.332 -9.909 -22.445 1.00 0.00 N ATOM 149 CA THR A 9 4.210 -10.723 -22.897 1.00 0.00 C ATOM 150 C THR A 9 3.108 -10.772 -21.845 1.00 0.00 C ATOM 151 O THR A 9 1.938 -10.544 -22.150 1.00 0.00 O ATOM 152 CB THR A 9 4.656 -12.161 -23.224 1.00 0.00 C ATOM 153 OG1 THR A 9 5.884 -12.138 -23.961 1.00 0.00 O ATOM 154 CG2 THR A 9 3.589 -12.888 -24.029 1.00 0.00 C ATOM 0 H THR A 9 6.112 -10.442 -22.059 1.00 0.00 H new ATOM 0 HA THR A 9 3.824 -10.255 -23.803 1.00 0.00 H new ATOM 0 HB THR A 9 4.807 -12.694 -22.285 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.161 -13.056 -24.163 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.926 -13.901 -24.248 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.664 -12.930 -23.453 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.411 -12.355 -24.963 1.00 0.00 H new ATOM 162 N GLU A 10 3.490 -11.070 -20.607 1.00 0.00 N ATOM 163 CA GLU A 10 2.532 -11.148 -19.511 1.00 0.00 C ATOM 164 C GLU A 10 1.813 -9.815 -19.320 1.00 0.00 C ATOM 165 O GLU A 10 0.743 -9.756 -18.716 1.00 0.00 O ATOM 166 CB GLU A 10 3.238 -11.549 -18.214 1.00 0.00 C ATOM 167 CG GLU A 10 3.283 -13.050 -17.985 1.00 0.00 C ATOM 168 CD GLU A 10 4.366 -13.732 -18.797 1.00 0.00 C ATOM 169 OE1 GLU A 10 4.128 -14.003 -19.993 1.00 0.00 O ATOM 170 OE2 GLU A 10 5.451 -13.995 -18.238 1.00 0.00 O ATOM 0 H GLU A 10 4.455 -11.261 -20.338 1.00 0.00 H new ATOM 0 HA GLU A 10 1.792 -11.908 -19.763 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.257 -11.162 -18.230 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.731 -11.077 -17.373 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.450 -13.247 -16.926 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.316 -13.482 -18.241 1.00 0.00 H new ATOM 177 N ALA A 11 2.410 -8.748 -19.841 1.00 0.00 N ATOM 178 CA ALA A 11 1.827 -7.416 -19.730 1.00 0.00 C ATOM 179 C ALA A 11 0.364 -7.420 -20.160 1.00 0.00 C ATOM 180 O ALA A 11 -0.438 -6.621 -19.674 1.00 0.00 O ATOM 181 CB ALA A 11 2.622 -6.422 -20.563 1.00 0.00 C ATOM 0 H ALA A 11 3.297 -8.780 -20.344 1.00 0.00 H new ATOM 0 HA ALA A 11 1.870 -7.113 -18.684 1.00 0.00 H new ATOM 0 HB1 ALA A 11 2.176 -5.432 -20.471 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.652 -6.391 -20.207 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.609 -6.730 -21.608 1.00 0.00 H new ATOM 187 N LEU A 12 0.023 -8.322 -21.073 1.00 0.00 N ATOM 188 CA LEU A 12 -1.345 -8.429 -21.569 1.00 0.00 C ATOM 189 C LEU A 12 -2.339 -8.505 -20.415 1.00 0.00 C ATOM 190 O LEU A 12 -3.392 -7.870 -20.448 1.00 0.00 O ATOM 191 CB LEU A 12 -1.489 -9.662 -22.464 1.00 0.00 C ATOM 192 CG LEU A 12 -1.239 -11.012 -21.791 1.00 0.00 C ATOM 193 CD1 LEU A 12 -2.545 -11.608 -21.290 1.00 0.00 C ATOM 194 CD2 LEU A 12 -0.549 -11.968 -22.753 1.00 0.00 C ATOM 0 H LEU A 12 0.674 -8.990 -21.485 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.564 -7.536 -22.154 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.496 -9.668 -22.882 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.797 -9.562 -23.301 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.583 -10.854 -20.935 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.348 -12.569 -20.814 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.000 -10.931 -20.567 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.225 -11.752 -22.130 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.379 -12.924 -22.257 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.180 -12.121 -23.629 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.407 -11.545 -23.063 1.00 0.00 H new ATOM 206 N GLU A 13 -1.994 -9.286 -19.395 1.00 0.00 N ATOM 207 CA GLU A 13 -2.857 -9.443 -18.230 1.00 0.00 C ATOM 208 C GLU A 13 -3.209 -8.086 -17.626 1.00 0.00 C ATOM 209 O GLU A 13 -4.363 -7.827 -17.285 1.00 0.00 O ATOM 210 CB GLU A 13 -2.174 -10.320 -17.177 1.00 0.00 C ATOM 211 CG GLU A 13 -3.026 -10.564 -15.943 1.00 0.00 C ATOM 212 CD GLU A 13 -4.231 -11.438 -16.230 1.00 0.00 C ATOM 213 OE1 GLU A 13 -4.096 -12.678 -16.161 1.00 0.00 O ATOM 214 OE2 GLU A 13 -5.311 -10.883 -16.523 1.00 0.00 O ATOM 0 H GLU A 13 -1.125 -9.818 -19.352 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.778 -9.927 -18.555 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.917 -11.279 -17.626 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.239 -9.849 -16.875 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.416 -11.035 -15.172 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.363 -9.607 -15.543 1.00 0.00 H new ATOM 221 N PHE A 14 -2.206 -7.224 -17.497 1.00 0.00 N ATOM 222 CA PHE A 14 -2.409 -5.895 -16.934 1.00 0.00 C ATOM 223 C PHE A 14 -3.254 -5.032 -17.866 1.00 0.00 C ATOM 224 O PHE A 14 -4.193 -4.364 -17.432 1.00 0.00 O ATOM 225 CB PHE A 14 -1.062 -5.217 -16.674 1.00 0.00 C ATOM 226 CG PHE A 14 -1.182 -3.765 -16.308 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.137 -3.344 -15.397 1.00 0.00 C ATOM 228 CD2 PHE A 14 -0.339 -2.822 -16.874 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.250 -2.008 -15.059 1.00 0.00 C ATOM 230 CE2 PHE A 14 -0.447 -1.486 -16.539 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.403 -1.078 -15.630 1.00 0.00 C ATOM 0 H PHE A 14 -1.245 -7.422 -17.775 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.941 -6.006 -15.989 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.548 -5.745 -15.871 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.440 -5.309 -17.565 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.800 -4.067 -14.946 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.411 -3.135 -17.585 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.000 -1.692 -14.349 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.216 -0.761 -16.988 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.488 -0.034 -15.366 1.00 0.00 H new ATOM 241 N LEU A 15 -2.912 -5.050 -19.150 1.00 0.00 N ATOM 242 CA LEU A 15 -3.638 -4.269 -20.146 1.00 0.00 C ATOM 243 C LEU A 15 -5.137 -4.542 -20.065 1.00 0.00 C ATOM 244 O LEU A 15 -5.949 -3.617 -20.080 1.00 0.00 O ATOM 245 CB LEU A 15 -3.124 -4.592 -21.550 1.00 0.00 C ATOM 246 CG LEU A 15 -1.850 -3.865 -21.982 1.00 0.00 C ATOM 247 CD1 LEU A 15 -1.290 -4.479 -23.255 1.00 0.00 C ATOM 248 CD2 LEU A 15 -2.124 -2.381 -22.179 1.00 0.00 C ATOM 0 H LEU A 15 -2.137 -5.597 -19.526 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.468 -3.213 -19.938 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.944 -5.665 -21.611 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.912 -4.359 -22.266 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.106 -3.975 -21.193 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.384 -3.948 -23.547 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.055 -5.529 -23.080 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.029 -4.401 -24.052 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.206 -1.879 -22.486 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.884 -2.250 -22.949 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.478 -1.949 -21.243 1.00 0.00 H new ATOM 260 N LEU A 16 -5.496 -5.818 -19.978 1.00 0.00 N ATOM 261 CA LEU A 16 -6.898 -6.214 -19.892 1.00 0.00 C ATOM 262 C LEU A 16 -7.421 -6.059 -18.468 1.00 0.00 C ATOM 263 O LEU A 16 -8.618 -5.868 -18.252 1.00 0.00 O ATOM 264 CB LEU A 16 -7.069 -7.662 -20.356 1.00 0.00 C ATOM 265 CG LEU A 16 -8.471 -8.057 -20.820 1.00 0.00 C ATOM 266 CD1 LEU A 16 -8.633 -7.798 -22.310 1.00 0.00 C ATOM 267 CD2 LEU A 16 -8.747 -9.518 -20.498 1.00 0.00 C ATOM 0 H LEU A 16 -4.836 -6.596 -19.965 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.476 -5.559 -20.545 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.372 -7.845 -21.174 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.780 -8.321 -19.538 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.196 -7.444 -20.285 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.637 -8.085 -22.622 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.479 -6.738 -22.514 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.899 -8.385 -22.863 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.749 -9.782 -20.835 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.016 -10.147 -21.006 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.674 -9.673 -19.422 1.00 0.00 H new ATOM 279 N LYS A 17 -6.516 -6.141 -17.498 1.00 0.00 N ATOM 280 CA LYS A 17 -6.885 -6.007 -16.094 1.00 0.00 C ATOM 281 C LYS A 17 -7.494 -4.636 -15.820 1.00 0.00 C ATOM 282 O LYS A 17 -8.564 -4.530 -15.222 1.00 0.00 O ATOM 283 CB LYS A 17 -5.660 -6.220 -15.202 1.00 0.00 C ATOM 284 CG LYS A 17 -5.902 -5.870 -13.743 1.00 0.00 C ATOM 285 CD LYS A 17 -4.642 -6.047 -12.911 1.00 0.00 C ATOM 286 CE LYS A 17 -4.967 -6.515 -11.501 1.00 0.00 C ATOM 287 NZ LYS A 17 -5.360 -7.951 -11.471 1.00 0.00 N ATOM 0 H LYS A 17 -5.521 -6.300 -17.659 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.631 -6.768 -15.865 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.348 -7.262 -15.270 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.836 -5.615 -15.580 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.247 -4.839 -13.668 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.695 -6.502 -13.343 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.985 -6.771 -13.393 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.099 -5.103 -12.866 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.100 -6.362 -10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.776 -5.908 -11.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.360 -8.291 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.313 -8.059 -11.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.683 -8.508 -12.030 1.00 0.00 H new ATOM 301 N ALA A 18 -6.807 -3.588 -16.263 1.00 0.00 N ATOM 302 CA ALA A 18 -7.283 -2.224 -16.069 1.00 0.00 C ATOM 303 C ALA A 18 -8.708 -2.061 -16.586 1.00 0.00 C ATOM 304 O ALA A 18 -9.479 -1.253 -16.067 1.00 0.00 O ATOM 305 CB ALA A 18 -6.352 -1.237 -16.758 1.00 0.00 C ATOM 0 H ALA A 18 -5.918 -3.658 -16.759 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.287 -2.016 -14.999 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.720 -0.222 -16.605 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.350 -1.327 -16.338 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.318 -1.453 -17.826 1.00 0.00 H new ATOM 311 N HIS A 19 -9.052 -2.832 -17.612 1.00 0.00 N ATOM 312 CA HIS A 19 -10.386 -2.773 -18.200 1.00 0.00 C ATOM 313 C HIS A 19 -11.459 -2.966 -17.133 1.00 0.00 C ATOM 314 O HIS A 19 -12.493 -2.299 -17.153 1.00 0.00 O ATOM 315 CB HIS A 19 -10.534 -3.836 -19.288 1.00 0.00 C ATOM 316 CG HIS A 19 -11.681 -3.585 -20.219 1.00 0.00 C ATOM 317 ND1 HIS A 19 -12.110 -2.320 -20.559 1.00 0.00 N ATOM 318 CD2 HIS A 19 -12.487 -4.446 -20.883 1.00 0.00 C ATOM 319 CE1 HIS A 19 -13.133 -2.414 -21.391 1.00 0.00 C ATOM 320 NE2 HIS A 19 -13.381 -3.693 -21.604 1.00 0.00 N ATOM 0 H HIS A 19 -8.426 -3.505 -18.054 1.00 0.00 H new ATOM 0 HA HIS A 19 -10.516 -1.787 -18.646 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.611 -3.883 -19.866 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -10.665 -4.810 -18.817 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -12.437 -5.524 -20.852 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -13.674 -1.585 -21.823 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -14.117 -4.062 -22.206 1.00 0.00 H new ATOM 328 N GLN A 20 -11.205 -3.883 -16.205 1.00 0.00 N ATOM 329 CA GLN A 20 -12.151 -4.164 -15.132 1.00 0.00 C ATOM 330 C GLN A 20 -12.432 -2.910 -14.311 1.00 0.00 C ATOM 331 O GLN A 20 -13.553 -2.696 -13.848 1.00 0.00 O ATOM 332 CB GLN A 20 -11.611 -5.271 -14.224 1.00 0.00 C ATOM 333 CG GLN A 20 -12.584 -5.696 -13.137 1.00 0.00 C ATOM 334 CD GLN A 20 -13.540 -6.778 -13.600 1.00 0.00 C ATOM 335 OE1 GLN A 20 -14.727 -6.527 -13.808 1.00 0.00 O ATOM 336 NE2 GLN A 20 -13.026 -7.992 -13.764 1.00 0.00 N ATOM 0 H GLN A 20 -10.353 -4.443 -16.175 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.085 -4.497 -15.584 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.359 -6.139 -14.834 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.687 -4.929 -13.759 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.024 -6.056 -12.274 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.155 -4.829 -12.807 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.036 -8.156 -13.580 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -13.621 -8.760 -14.074 1.00 0.00 H new ATOM 345 N THR A 21 -11.407 -2.083 -14.134 1.00 0.00 N ATOM 346 CA THR A 21 -11.543 -0.850 -13.368 1.00 0.00 C ATOM 347 C THR A 21 -12.232 0.234 -14.188 1.00 0.00 C ATOM 348 O THR A 21 -13.082 0.965 -13.679 1.00 0.00 O ATOM 349 CB THR A 21 -10.172 -0.328 -12.896 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.303 -1.427 -12.603 1.00 0.00 O ATOM 351 CG2 THR A 21 -10.323 0.549 -11.663 1.00 0.00 C ATOM 0 H THR A 21 -10.473 -2.245 -14.511 1.00 0.00 H new ATOM 0 HA THR A 21 -12.154 -1.085 -12.496 1.00 0.00 H new ATOM 0 HB THR A 21 -9.740 0.271 -13.698 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.434 -1.086 -12.306 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.342 0.906 -11.348 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.961 1.401 -11.898 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.774 -0.030 -10.857 1.00 0.00 H new ATOM 359 N ALA A 22 -11.862 0.332 -15.461 1.00 0.00 N ATOM 360 CA ALA A 22 -12.447 1.326 -16.352 1.00 0.00 C ATOM 361 C ALA A 22 -13.950 1.114 -16.499 1.00 0.00 C ATOM 362 O ALA A 22 -14.736 2.052 -16.364 1.00 0.00 O ATOM 363 CB ALA A 22 -11.770 1.277 -17.714 1.00 0.00 C ATOM 0 H ALA A 22 -11.160 -0.265 -15.898 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.286 2.311 -15.913 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.217 2.025 -18.369 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.706 1.484 -17.599 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.902 0.287 -18.150 1.00 0.00 H new ATOM 369 N VAL A 23 -14.345 -0.125 -16.776 1.00 0.00 N ATOM 370 CA VAL A 23 -15.754 -0.460 -16.941 1.00 0.00 C ATOM 371 C VAL A 23 -16.530 -0.220 -15.651 1.00 0.00 C ATOM 372 O VAL A 23 -17.670 0.246 -15.677 1.00 0.00 O ATOM 373 CB VAL A 23 -15.935 -1.928 -17.370 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.412 -2.265 -17.509 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.194 -2.197 -18.671 1.00 0.00 C ATOM 0 H VAL A 23 -13.708 -0.913 -16.891 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.145 0.190 -17.723 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.511 -2.570 -16.597 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -17.521 -3.306 -17.813 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -17.912 -2.112 -16.552 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -17.863 -1.619 -18.262 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -15.332 -3.239 -18.960 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.586 -1.548 -19.454 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.131 -1.997 -18.533 1.00 0.00 H new ATOM 385 N ASP A 24 -15.906 -0.540 -14.523 1.00 0.00 N ATOM 386 CA ASP A 24 -16.537 -0.357 -13.221 1.00 0.00 C ATOM 387 C ASP A 24 -16.629 1.123 -12.864 1.00 0.00 C ATOM 388 O ASP A 24 -17.559 1.552 -12.181 1.00 0.00 O ATOM 389 CB ASP A 24 -15.755 -1.107 -12.141 1.00 0.00 C ATOM 390 CG ASP A 24 -16.480 -1.128 -10.810 1.00 0.00 C ATOM 391 OD1 ASP A 24 -17.576 -1.724 -10.740 1.00 0.00 O ATOM 392 OD2 ASP A 24 -15.952 -0.549 -9.838 1.00 0.00 O ATOM 0 H ASP A 24 -14.963 -0.928 -14.484 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.547 -0.763 -13.275 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.577 -2.131 -12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.779 -0.639 -12.012 1.00 0.00 H new ATOM 397 N LYS A 25 -15.656 1.900 -13.330 1.00 0.00 N ATOM 398 CA LYS A 25 -15.626 3.333 -13.061 1.00 0.00 C ATOM 399 C LYS A 25 -16.881 4.014 -13.597 1.00 0.00 C ATOM 400 O LYS A 25 -17.337 5.017 -13.048 1.00 0.00 O ATOM 401 CB LYS A 25 -14.382 3.964 -13.691 1.00 0.00 C ATOM 402 CG LYS A 25 -13.180 3.995 -12.763 1.00 0.00 C ATOM 403 CD LYS A 25 -13.171 5.248 -11.904 1.00 0.00 C ATOM 404 CE LYS A 25 -13.995 5.063 -10.639 1.00 0.00 C ATOM 405 NZ LYS A 25 -13.487 5.901 -9.518 1.00 0.00 N ATOM 0 H LYS A 25 -14.878 1.561 -13.896 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.591 3.474 -11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.120 3.410 -14.592 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.618 4.982 -14.000 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.191 3.113 -12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.264 3.950 -13.351 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.145 5.500 -11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.566 6.086 -12.478 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.035 5.320 -10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.978 4.014 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.075 5.746 -8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.503 5.639 -9.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.527 6.904 -9.789 1.00 0.00 H new ATOM 419 N ILE A 26 -17.437 3.461 -14.670 1.00 0.00 N ATOM 420 CA ILE A 26 -18.641 4.014 -15.277 1.00 0.00 C ATOM 421 C ILE A 26 -19.855 3.804 -14.379 1.00 0.00 C ATOM 422 O ILE A 26 -20.843 4.532 -14.472 1.00 0.00 O ATOM 423 CB ILE A 26 -18.919 3.381 -16.654 1.00 0.00 C ATOM 424 CG1 ILE A 26 -17.664 3.439 -17.528 1.00 0.00 C ATOM 425 CG2 ILE A 26 -20.080 4.088 -17.337 1.00 0.00 C ATOM 426 CD1 ILE A 26 -17.173 4.846 -17.788 1.00 0.00 C ATOM 0 H ILE A 26 -17.073 2.630 -15.137 1.00 0.00 H new ATOM 0 HA ILE A 26 -18.468 5.082 -15.406 1.00 0.00 H new ATOM 0 HB ILE A 26 -19.191 2.335 -16.509 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -16.869 2.869 -17.047 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -17.872 2.954 -18.481 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -20.264 3.630 -18.309 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -20.974 4.000 -16.719 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -19.835 5.141 -17.473 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.281 4.810 -18.414 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -17.951 5.415 -18.297 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -16.933 5.328 -16.841 1.00 0.00 H new ATOM 438 N GLY A 27 -19.774 2.803 -13.508 1.00 0.00 N ATOM 439 CA GLY A 27 -20.873 2.516 -12.604 1.00 0.00 C ATOM 440 C GLY A 27 -22.012 1.787 -13.289 1.00 0.00 C ATOM 441 O GLY A 27 -23.178 1.970 -12.935 1.00 0.00 O ATOM 0 H GLY A 27 -18.968 2.186 -13.412 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.508 1.913 -11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.245 3.449 -12.181 1.00 0.00 H new ATOM 445 N HIS A 28 -21.677 0.960 -14.274 1.00 0.00 N ATOM 446 CA HIS A 28 -22.681 0.203 -15.012 1.00 0.00 C ATOM 447 C HIS A 28 -23.123 -1.026 -14.223 1.00 0.00 C ATOM 448 O HIS A 28 -22.408 -1.526 -13.354 1.00 0.00 O ATOM 449 CB HIS A 28 -22.132 -0.222 -16.374 1.00 0.00 C ATOM 450 CG HIS A 28 -22.616 0.630 -17.507 1.00 0.00 C ATOM 451 ND1 HIS A 28 -22.872 0.131 -18.767 1.00 0.00 N ATOM 452 CD2 HIS A 28 -22.893 1.953 -17.564 1.00 0.00 C ATOM 453 CE1 HIS A 28 -23.284 1.112 -19.551 1.00 0.00 C ATOM 454 NE2 HIS A 28 -23.305 2.228 -18.845 1.00 0.00 N ATOM 0 H HIS A 28 -20.718 0.797 -14.580 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.547 0.848 -15.163 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.043 -0.188 -16.344 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -22.414 -1.258 -16.563 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -22.806 2.661 -16.753 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -23.557 1.017 -20.592 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -23.582 3.145 -19.194 1.00 0.00 H new ATOM 462 N PRO A 29 -24.329 -1.525 -14.530 1.00 0.00 N ATOM 463 CA PRO A 29 -24.893 -2.702 -13.860 1.00 0.00 C ATOM 464 C PRO A 29 -24.159 -3.986 -14.230 1.00 0.00 C ATOM 465 O PRO A 29 -23.134 -3.953 -14.910 1.00 0.00 O ATOM 466 CB PRO A 29 -26.335 -2.744 -14.372 1.00 0.00 C ATOM 467 CG PRO A 29 -26.291 -2.043 -15.686 1.00 0.00 C ATOM 468 CD PRO A 29 -25.236 -0.980 -15.554 1.00 0.00 C ATOM 0 HA PRO A 29 -24.813 -2.631 -12.775 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -26.686 -3.770 -14.482 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -27.015 -2.247 -13.681 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -26.047 -2.737 -16.490 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -27.259 -1.604 -15.927 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -24.719 -0.808 -16.498 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -25.663 -0.026 -15.246 1.00 0.00 H new ATOM 476 N SER A 30 -24.691 -5.117 -13.778 1.00 0.00 N ATOM 477 CA SER A 30 -24.084 -6.413 -14.059 1.00 0.00 C ATOM 478 C SER A 30 -24.982 -7.248 -14.966 1.00 0.00 C ATOM 479 O SER A 30 -24.880 -8.475 -15.001 1.00 0.00 O ATOM 480 CB SER A 30 -23.815 -7.167 -12.755 1.00 0.00 C ATOM 481 OG SER A 30 -25.004 -7.747 -12.247 1.00 0.00 O ATOM 0 H SER A 30 -25.541 -5.162 -13.216 1.00 0.00 H new ATOM 0 HA SER A 30 -23.138 -6.240 -14.573 1.00 0.00 H new ATOM 0 HB2 SER A 30 -23.072 -7.945 -12.928 1.00 0.00 H new ATOM 0 HB3 SER A 30 -23.395 -6.484 -12.016 1.00 0.00 H new ATOM 0 HG SER A 30 -24.805 -8.224 -11.415 1.00 0.00 H new ATOM 487 N HIS A 31 -25.862 -6.574 -15.700 1.00 0.00 N ATOM 488 CA HIS A 31 -26.778 -7.253 -16.610 1.00 0.00 C ATOM 489 C HIS A 31 -26.021 -8.195 -17.541 1.00 0.00 C ATOM 490 O HIS A 31 -24.795 -8.132 -17.643 1.00 0.00 O ATOM 491 CB HIS A 31 -27.567 -6.231 -17.429 1.00 0.00 C ATOM 492 CG HIS A 31 -28.903 -6.732 -17.885 1.00 0.00 C ATOM 493 ND1 HIS A 31 -29.691 -7.572 -17.127 1.00 0.00 N ATOM 494 CD2 HIS A 31 -29.589 -6.506 -19.029 1.00 0.00 C ATOM 495 CE1 HIS A 31 -30.804 -7.842 -17.785 1.00 0.00 C ATOM 496 NE2 HIS A 31 -30.767 -7.207 -18.943 1.00 0.00 N ATOM 0 H HIS A 31 -25.960 -5.559 -15.682 1.00 0.00 H new ATOM 0 HA HIS A 31 -27.473 -7.843 -16.013 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -27.710 -5.331 -16.831 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -26.979 -5.944 -18.301 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -29.270 -5.889 -19.856 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -31.607 -8.474 -17.436 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -31.495 -7.233 -19.657 1.00 0.00 H new ATOM 504 N LYS A 32 -26.758 -9.067 -18.219 1.00 0.00 N ATOM 505 CA LYS A 32 -26.158 -10.022 -19.143 1.00 0.00 C ATOM 506 C LYS A 32 -25.289 -9.309 -20.175 1.00 0.00 C ATOM 507 O LYS A 32 -25.537 -8.152 -20.513 1.00 0.00 O ATOM 508 CB LYS A 32 -27.246 -10.833 -19.850 1.00 0.00 C ATOM 509 CG LYS A 32 -26.805 -12.232 -20.243 1.00 0.00 C ATOM 510 CD LYS A 32 -27.993 -13.161 -20.428 1.00 0.00 C ATOM 511 CE LYS A 32 -27.762 -14.141 -21.567 1.00 0.00 C ATOM 512 NZ LYS A 32 -29.030 -14.785 -22.010 1.00 0.00 N ATOM 0 H LYS A 32 -27.773 -9.132 -18.146 1.00 0.00 H new ATOM 0 HA LYS A 32 -25.526 -10.698 -18.567 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -28.115 -10.906 -19.197 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -27.563 -10.297 -20.744 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -26.230 -12.187 -21.168 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -26.143 -12.635 -19.476 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -28.173 -13.711 -19.504 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -28.888 -12.573 -20.629 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -27.306 -13.619 -22.408 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -27.057 -14.909 -21.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -28.830 -15.446 -22.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -29.452 -15.304 -21.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -29.694 -14.055 -22.338 1.00 0.00 H new ATOM 526 N GLN A 33 -24.274 -10.008 -20.671 1.00 0.00 N ATOM 527 CA GLN A 33 -23.370 -9.440 -21.665 1.00 0.00 C ATOM 528 C GLN A 33 -24.147 -8.888 -22.856 1.00 0.00 C ATOM 529 O GLN A 33 -24.798 -9.636 -23.587 1.00 0.00 O ATOM 530 CB GLN A 33 -22.370 -10.497 -22.139 1.00 0.00 C ATOM 531 CG GLN A 33 -21.366 -9.973 -23.152 1.00 0.00 C ATOM 532 CD GLN A 33 -20.356 -11.023 -23.570 1.00 0.00 C ATOM 533 OE1 GLN A 33 -19.377 -11.275 -22.866 1.00 0.00 O ATOM 534 NE2 GLN A 33 -20.589 -11.644 -24.720 1.00 0.00 N ATOM 0 H GLN A 33 -24.057 -10.967 -20.402 1.00 0.00 H new ATOM 0 HA GLN A 33 -22.826 -8.619 -21.197 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -21.832 -10.889 -21.276 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -22.917 -11.331 -22.580 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -21.898 -9.615 -24.033 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -20.840 -9.117 -22.728 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -21.413 -11.404 -25.272 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.944 -12.361 -25.052 1.00 0.00 H new ATOM 543 N THR A 34 -24.076 -7.574 -23.045 1.00 0.00 N ATOM 544 CA THR A 34 -24.774 -6.922 -24.145 1.00 0.00 C ATOM 545 C THR A 34 -24.078 -7.191 -25.475 1.00 0.00 C ATOM 546 O THR A 34 -22.899 -7.544 -25.525 1.00 0.00 O ATOM 547 CB THR A 34 -24.869 -5.400 -23.927 1.00 0.00 C ATOM 548 OG1 THR A 34 -23.734 -4.940 -23.185 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.147 -5.038 -23.185 1.00 0.00 C ATOM 0 H THR A 34 -23.542 -6.941 -22.450 1.00 0.00 H new ATOM 0 HA THR A 34 -25.780 -7.341 -24.173 1.00 0.00 H new ATOM 0 HB THR A 34 -24.885 -4.916 -24.903 1.00 0.00 H new ATOM 0 HG1 THR A 34 -23.801 -3.971 -23.052 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.192 -3.958 -23.043 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.010 -5.364 -23.766 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.156 -5.533 -22.214 1.00 0.00 H new ATOM 557 N PRO A 35 -24.821 -7.019 -26.578 1.00 0.00 N ATOM 558 CA PRO A 35 -24.294 -7.237 -27.929 1.00 0.00 C ATOM 559 C PRO A 35 -23.275 -6.176 -28.331 1.00 0.00 C ATOM 560 O PRO A 35 -22.473 -6.387 -29.241 1.00 0.00 O ATOM 561 CB PRO A 35 -25.539 -7.145 -28.814 1.00 0.00 C ATOM 562 CG PRO A 35 -26.491 -6.298 -28.042 1.00 0.00 C ATOM 563 CD PRO A 35 -26.232 -6.599 -26.592 1.00 0.00 C ATOM 0 HA PRO A 35 -23.764 -8.186 -28.012 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -25.306 -6.698 -29.780 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -25.958 -8.132 -29.012 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -26.334 -5.241 -28.255 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -27.522 -6.527 -28.310 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.397 -5.723 -25.964 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -26.889 -7.386 -26.221 1.00 0.00 H new ATOM 571 N ALA A 36 -23.312 -5.037 -27.648 1.00 0.00 N ATOM 572 CA ALA A 36 -22.390 -3.945 -27.934 1.00 0.00 C ATOM 573 C ALA A 36 -20.969 -4.303 -27.514 1.00 0.00 C ATOM 574 O ALA A 36 -19.999 -3.769 -28.054 1.00 0.00 O ATOM 575 CB ALA A 36 -22.845 -2.673 -27.232 1.00 0.00 C ATOM 0 H ALA A 36 -23.971 -4.846 -26.893 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.391 -3.774 -29.010 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.147 -1.865 -27.454 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.840 -2.400 -27.583 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.874 -2.842 -26.156 1.00 0.00 H new ATOM 581 N ASP A 37 -20.852 -5.209 -26.550 1.00 0.00 N ATOM 582 CA ASP A 37 -19.548 -5.638 -26.058 1.00 0.00 C ATOM 583 C ASP A 37 -18.670 -6.129 -27.205 1.00 0.00 C ATOM 584 O ASP A 37 -17.446 -5.992 -27.167 1.00 0.00 O ATOM 585 CB ASP A 37 -19.712 -6.745 -25.015 1.00 0.00 C ATOM 586 CG ASP A 37 -18.411 -7.472 -24.733 1.00 0.00 C ATOM 587 OD1 ASP A 37 -17.518 -6.868 -24.103 1.00 0.00 O ATOM 588 OD2 ASP A 37 -18.288 -8.645 -25.142 1.00 0.00 O ATOM 0 H ASP A 37 -21.644 -5.661 -26.094 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.062 -4.780 -25.593 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -20.092 -6.314 -24.089 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -20.457 -7.461 -25.363 1.00 0.00 H new ATOM 593 N HIS A 38 -19.302 -6.703 -28.224 1.00 0.00 N ATOM 594 CA HIS A 38 -18.577 -7.215 -29.382 1.00 0.00 C ATOM 595 C HIS A 38 -17.716 -6.123 -30.010 1.00 0.00 C ATOM 596 O HIS A 38 -16.683 -6.407 -30.616 1.00 0.00 O ATOM 597 CB HIS A 38 -19.556 -7.767 -30.419 1.00 0.00 C ATOM 598 CG HIS A 38 -18.894 -8.553 -31.508 1.00 0.00 C ATOM 599 ND1 HIS A 38 -18.460 -9.852 -31.343 1.00 0.00 N ATOM 600 CD2 HIS A 38 -18.594 -8.218 -32.785 1.00 0.00 C ATOM 601 CE1 HIS A 38 -17.920 -10.280 -32.470 1.00 0.00 C ATOM 602 NE2 HIS A 38 -17.990 -9.308 -33.361 1.00 0.00 N ATOM 0 H HIS A 38 -20.314 -6.825 -28.272 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.924 -8.020 -29.044 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -20.286 -8.402 -29.916 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -20.107 -6.938 -30.864 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.793 -7.270 -33.262 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.494 -11.259 -32.635 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -17.650 -9.359 -34.321 1.00 0.00 H new ATOM 610 N ALA A 39 -18.148 -4.876 -29.861 1.00 0.00 N ATOM 611 CA ALA A 39 -17.416 -3.742 -30.412 1.00 0.00 C ATOM 612 C ALA A 39 -16.106 -3.519 -29.664 1.00 0.00 C ATOM 613 O ALA A 39 -15.138 -3.008 -30.227 1.00 0.00 O ATOM 614 CB ALA A 39 -18.273 -2.486 -30.365 1.00 0.00 C ATOM 0 H ALA A 39 -19.002 -4.625 -29.363 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.177 -3.966 -31.452 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.713 -1.648 -30.780 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.179 -2.642 -30.950 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.541 -2.267 -29.331 1.00 0.00 H new ATOM 620 N ALA A 40 -16.083 -3.905 -28.392 1.00 0.00 N ATOM 621 CA ALA A 40 -14.891 -3.747 -27.568 1.00 0.00 C ATOM 622 C ALA A 40 -13.672 -4.369 -28.241 1.00 0.00 C ATOM 623 O ALA A 40 -12.543 -3.923 -28.035 1.00 0.00 O ATOM 624 CB ALA A 40 -15.113 -4.367 -26.196 1.00 0.00 C ATOM 0 H ALA A 40 -16.876 -4.329 -27.910 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.701 -2.681 -27.447 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -14.215 -4.242 -25.591 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -15.953 -3.874 -25.706 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.330 -5.429 -26.308 1.00 0.00 H new ATOM 630 N ILE A 41 -13.908 -5.401 -29.045 1.00 0.00 N ATOM 631 CA ILE A 41 -12.828 -6.083 -29.748 1.00 0.00 C ATOM 632 C ILE A 41 -11.962 -5.092 -30.518 1.00 0.00 C ATOM 633 O ILE A 41 -10.747 -5.262 -30.618 1.00 0.00 O ATOM 634 CB ILE A 41 -13.373 -7.140 -30.726 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.236 -8.160 -29.980 1.00 0.00 C ATOM 636 CG2 ILE A 41 -12.228 -7.835 -31.447 1.00 0.00 C ATOM 637 CD1 ILE A 41 -13.468 -8.971 -28.960 1.00 0.00 C ATOM 0 H ILE A 41 -14.837 -5.783 -29.225 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.222 -6.579 -28.990 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.994 -6.640 -31.469 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -15.050 -7.637 -29.478 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.690 -8.837 -30.703 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.629 -8.579 -32.135 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.650 -7.099 -32.006 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.583 -8.325 -30.718 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.143 -9.673 -28.470 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.671 -9.522 -29.459 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.036 -8.303 -28.215 1.00 0.00 H new ATOM 649 N GLU A 42 -12.595 -4.057 -31.060 1.00 0.00 N ATOM 650 CA GLU A 42 -11.881 -3.039 -31.821 1.00 0.00 C ATOM 651 C GLU A 42 -10.730 -2.457 -31.005 1.00 0.00 C ATOM 652 O GLU A 42 -9.714 -2.036 -31.558 1.00 0.00 O ATOM 653 CB GLU A 42 -12.838 -1.921 -32.242 1.00 0.00 C ATOM 654 CG GLU A 42 -13.236 -0.999 -31.102 1.00 0.00 C ATOM 655 CD GLU A 42 -14.571 -0.320 -31.340 1.00 0.00 C ATOM 656 OE1 GLU A 42 -15.406 -0.892 -32.071 1.00 0.00 O ATOM 657 OE2 GLU A 42 -14.779 0.785 -30.796 1.00 0.00 O ATOM 0 H GLU A 42 -13.600 -3.901 -30.986 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.469 -3.511 -32.713 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.369 -1.330 -33.029 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.737 -2.365 -32.669 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.284 -1.572 -30.176 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.465 -0.240 -30.968 1.00 0.00 H new ATOM 664 N ALA A 43 -10.898 -2.437 -29.687 1.00 0.00 N ATOM 665 CA ALA A 43 -9.873 -1.910 -28.794 1.00 0.00 C ATOM 666 C ALA A 43 -8.805 -2.958 -28.504 1.00 0.00 C ATOM 667 O ALA A 43 -7.620 -2.639 -28.396 1.00 0.00 O ATOM 668 CB ALA A 43 -10.503 -1.422 -27.498 1.00 0.00 C ATOM 0 H ALA A 43 -11.734 -2.780 -29.214 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.391 -1.068 -29.291 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.726 -1.031 -26.841 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.223 -0.634 -27.718 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.012 -2.251 -27.006 1.00 0.00 H new ATOM 674 N LEU A 44 -9.230 -4.211 -28.379 1.00 0.00 N ATOM 675 CA LEU A 44 -8.309 -5.307 -28.100 1.00 0.00 C ATOM 676 C LEU A 44 -7.146 -5.305 -29.086 1.00 0.00 C ATOM 677 O LEU A 44 -6.008 -5.598 -28.720 1.00 0.00 O ATOM 678 CB LEU A 44 -9.045 -6.646 -28.166 1.00 0.00 C ATOM 679 CG LEU A 44 -9.747 -7.090 -26.881 1.00 0.00 C ATOM 680 CD1 LEU A 44 -8.729 -7.547 -25.848 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.605 -5.964 -26.326 1.00 0.00 C ATOM 0 H LEU A 44 -10.206 -4.493 -28.466 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.910 -5.167 -27.095 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.788 -6.591 -28.962 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.330 -7.418 -28.451 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.398 -7.932 -27.117 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.246 -7.859 -24.941 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.157 -8.385 -26.246 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.052 -6.725 -25.615 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.097 -6.298 -25.412 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.976 -5.102 -26.105 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.359 -5.684 -27.062 1.00 0.00 H new ATOM 693 N ASP A 45 -7.438 -4.970 -30.338 1.00 0.00 N ATOM 694 CA ASP A 45 -6.416 -4.926 -31.377 1.00 0.00 C ATOM 695 C ASP A 45 -5.321 -3.924 -31.020 1.00 0.00 C ATOM 696 O ASP A 45 -4.135 -4.190 -31.215 1.00 0.00 O ATOM 697 CB ASP A 45 -7.041 -4.557 -32.723 1.00 0.00 C ATOM 698 CG ASP A 45 -6.127 -4.870 -33.891 1.00 0.00 C ATOM 699 OD1 ASP A 45 -4.986 -5.317 -33.649 1.00 0.00 O ATOM 700 OD2 ASP A 45 -6.552 -4.667 -35.047 1.00 0.00 O ATOM 0 H ASP A 45 -8.375 -4.725 -30.658 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.968 -5.917 -31.453 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.980 -5.098 -32.845 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.282 -3.494 -32.729 1.00 0.00 H new ATOM 705 N ARG A 46 -5.728 -2.772 -30.496 1.00 0.00 N ATOM 706 CA ARG A 46 -4.782 -1.731 -30.114 1.00 0.00 C ATOM 707 C ARG A 46 -3.798 -2.247 -29.069 1.00 0.00 C ATOM 708 O ARG A 46 -2.592 -2.017 -29.170 1.00 0.00 O ATOM 709 CB ARG A 46 -5.528 -0.511 -29.570 1.00 0.00 C ATOM 710 CG ARG A 46 -4.665 0.737 -29.472 1.00 0.00 C ATOM 711 CD ARG A 46 -4.542 1.436 -30.817 1.00 0.00 C ATOM 712 NE ARG A 46 -5.774 2.126 -31.189 1.00 0.00 N ATOM 713 CZ ARG A 46 -6.037 2.546 -32.422 1.00 0.00 C ATOM 714 NH1 ARG A 46 -5.160 2.347 -33.396 1.00 0.00 N ATOM 715 NH2 ARG A 46 -7.181 3.167 -32.682 1.00 0.00 N ATOM 0 H ARG A 46 -6.706 -2.537 -30.327 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.221 -1.440 -31.002 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.383 -0.302 -30.213 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.923 -0.748 -28.582 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.096 1.423 -28.742 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.673 0.467 -29.109 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.722 2.153 -30.779 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.290 0.704 -31.584 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.470 2.295 -30.463 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.280 1.870 -33.200 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.365 2.671 -34.341 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.858 3.322 -31.935 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.383 3.489 -33.628 1.00 0.00 H new ATOM 729 N LEU A 47 -4.319 -2.945 -28.067 1.00 0.00 N ATOM 730 CA LEU A 47 -3.486 -3.494 -27.002 1.00 0.00 C ATOM 731 C LEU A 47 -2.451 -4.463 -27.565 1.00 0.00 C ATOM 732 O LEU A 47 -1.247 -4.264 -27.405 1.00 0.00 O ATOM 733 CB LEU A 47 -4.355 -4.205 -25.963 1.00 0.00 C ATOM 734 CG LEU A 47 -5.613 -3.460 -25.517 1.00 0.00 C ATOM 735 CD1 LEU A 47 -6.336 -4.236 -24.427 1.00 0.00 C ATOM 736 CD2 LEU A 47 -5.260 -2.061 -25.033 1.00 0.00 C ATOM 0 H LEU A 47 -5.314 -3.145 -27.969 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.960 -2.668 -26.523 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.654 -5.171 -26.369 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.744 -4.404 -25.083 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.281 -3.370 -26.373 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.229 -3.690 -24.123 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.623 -5.216 -24.807 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.676 -4.359 -23.569 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.167 -1.545 -24.719 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.572 -2.130 -24.190 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.787 -1.504 -25.842 1.00 0.00 H new ATOM 748 N LEU A 48 -2.929 -5.511 -28.228 1.00 0.00 N ATOM 749 CA LEU A 48 -2.045 -6.510 -28.818 1.00 0.00 C ATOM 750 C LEU A 48 -0.995 -5.852 -29.707 1.00 0.00 C ATOM 751 O LEU A 48 0.207 -5.984 -29.469 1.00 0.00 O ATOM 752 CB LEU A 48 -2.856 -7.521 -29.630 1.00 0.00 C ATOM 753 CG LEU A 48 -3.990 -8.226 -28.884 1.00 0.00 C ATOM 754 CD1 LEU A 48 -4.783 -9.112 -29.833 1.00 0.00 C ATOM 755 CD2 LEU A 48 -3.440 -9.041 -27.724 1.00 0.00 C ATOM 0 H LEU A 48 -3.923 -5.691 -28.370 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.534 -7.030 -28.008 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.280 -7.007 -30.493 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.174 -8.279 -30.014 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.661 -7.467 -28.482 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.586 -9.606 -29.285 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.209 -8.502 -30.630 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.123 -9.864 -30.266 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.261 -9.535 -27.205 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.746 -9.791 -28.103 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.918 -8.381 -27.031 1.00 0.00 H new ATOM 767 N LEU A 49 -1.455 -5.142 -30.730 1.00 0.00 N ATOM 768 CA LEU A 49 -0.556 -4.460 -31.655 1.00 0.00 C ATOM 769 C LEU A 49 0.441 -3.587 -30.900 1.00 0.00 C ATOM 770 O LEU A 49 1.634 -3.583 -31.205 1.00 0.00 O ATOM 771 CB LEU A 49 -1.356 -3.606 -32.639 1.00 0.00 C ATOM 772 CG LEU A 49 -0.565 -2.998 -33.798 1.00 0.00 C ATOM 773 CD1 LEU A 49 -1.469 -2.764 -34.998 1.00 0.00 C ATOM 774 CD2 LEU A 49 0.098 -1.698 -33.366 1.00 0.00 C ATOM 0 H LEU A 49 -2.446 -5.023 -30.941 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.002 -5.217 -32.209 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.156 -4.219 -33.054 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.830 -2.796 -32.084 1.00 0.00 H new ATOM 0 HG LEU A 49 0.215 -3.702 -34.089 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.888 -2.331 -35.812 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.897 -3.713 -35.322 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.271 -2.080 -34.721 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.657 -1.279 -34.203 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.666 -0.988 -33.048 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.779 -1.894 -32.538 1.00 0.00 H new ATOM 786 N ASP A 50 -0.055 -2.850 -29.912 1.00 0.00 N ATOM 787 CA ASP A 50 0.792 -1.975 -29.111 1.00 0.00 C ATOM 788 C ASP A 50 1.972 -2.746 -28.527 1.00 0.00 C ATOM 789 O ASP A 50 3.130 -2.435 -28.805 1.00 0.00 O ATOM 790 CB ASP A 50 -0.020 -1.332 -27.986 1.00 0.00 C ATOM 791 CG ASP A 50 -0.692 -0.044 -28.419 1.00 0.00 C ATOM 792 OD1 ASP A 50 -0.556 0.326 -29.604 1.00 0.00 O ATOM 793 OD2 ASP A 50 -1.354 0.594 -27.574 1.00 0.00 O ATOM 0 H ASP A 50 -1.040 -2.841 -29.647 1.00 0.00 H new ATOM 0 HA ASP A 50 1.179 -1.191 -29.762 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.778 -2.035 -27.641 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.636 -1.129 -27.139 1.00 0.00 H new ATOM 798 N VAL A 51 1.669 -3.754 -27.714 1.00 0.00 N ATOM 799 CA VAL A 51 2.704 -4.570 -27.090 1.00 0.00 C ATOM 800 C VAL A 51 3.647 -5.154 -28.135 1.00 0.00 C ATOM 801 O VAL A 51 4.852 -5.264 -27.907 1.00 0.00 O ATOM 802 CB VAL A 51 2.092 -5.719 -26.267 1.00 0.00 C ATOM 803 CG1 VAL A 51 3.186 -6.577 -25.651 1.00 0.00 C ATOM 804 CG2 VAL A 51 1.165 -5.170 -25.193 1.00 0.00 C ATOM 0 H VAL A 51 0.716 -4.025 -27.472 1.00 0.00 H new ATOM 0 HA VAL A 51 3.266 -3.915 -26.424 1.00 0.00 H new ATOM 0 HB VAL A 51 1.504 -6.348 -26.935 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.734 -7.383 -25.073 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.805 -7.000 -26.442 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.804 -5.963 -24.995 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.741 -5.996 -24.621 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.728 -4.517 -24.526 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.361 -4.603 -25.662 1.00 0.00 H new ATOM 814 N ARG A 52 3.091 -5.528 -29.283 1.00 0.00 N ATOM 815 CA ARG A 52 3.883 -6.102 -30.364 1.00 0.00 C ATOM 816 C ARG A 52 4.841 -5.066 -30.946 1.00 0.00 C ATOM 817 O ARG A 52 5.939 -5.402 -31.390 1.00 0.00 O ATOM 818 CB ARG A 52 2.968 -6.641 -31.465 1.00 0.00 C ATOM 819 CG ARG A 52 3.705 -7.417 -32.545 1.00 0.00 C ATOM 820 CD ARG A 52 2.738 -8.150 -33.462 1.00 0.00 C ATOM 821 NE ARG A 52 1.890 -7.228 -34.212 1.00 0.00 N ATOM 822 CZ ARG A 52 0.781 -7.598 -34.843 1.00 0.00 C ATOM 823 NH1 ARG A 52 0.389 -8.864 -34.815 1.00 0.00 N ATOM 824 NH2 ARG A 52 0.062 -6.700 -35.505 1.00 0.00 N ATOM 0 H ARG A 52 2.095 -5.444 -29.488 1.00 0.00 H new ATOM 0 HA ARG A 52 4.469 -6.924 -29.954 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.215 -7.288 -31.015 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.438 -5.807 -31.926 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.318 -6.733 -33.132 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.383 -8.134 -32.081 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.300 -8.773 -34.158 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.112 -8.818 -32.870 1.00 0.00 H new ATOM 0 HE ARG A 52 2.164 -6.246 -34.254 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.939 -9.557 -34.308 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.463 -9.145 -35.300 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.361 -5.725 -35.530 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.789 -6.985 -35.989 1.00 0.00 H new ATOM 838 N ALA A 53 4.417 -3.807 -30.940 1.00 0.00 N ATOM 839 CA ALA A 53 5.238 -2.723 -31.465 1.00 0.00 C ATOM 840 C ALA A 53 6.014 -2.031 -30.349 1.00 0.00 C ATOM 841 O ALA A 53 6.369 -0.858 -30.462 1.00 0.00 O ATOM 842 CB ALA A 53 4.371 -1.717 -32.209 1.00 0.00 C ATOM 0 H ALA A 53 3.510 -3.512 -30.578 1.00 0.00 H new ATOM 0 HA ALA A 53 5.959 -3.151 -32.162 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.997 -0.913 -32.596 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.866 -2.214 -33.037 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.628 -1.303 -31.527 1.00 0.00 H new ATOM 848 N ARG A 54 6.273 -2.765 -29.273 1.00 0.00 N ATOM 849 CA ARG A 54 7.005 -2.222 -28.135 1.00 0.00 C ATOM 850 C ARG A 54 6.344 -0.945 -27.623 1.00 0.00 C ATOM 851 O ARG A 54 7.009 0.069 -27.412 1.00 0.00 O ATOM 852 CB ARG A 54 8.456 -1.936 -28.525 1.00 0.00 C ATOM 853 CG ARG A 54 9.211 -3.164 -29.009 1.00 0.00 C ATOM 854 CD ARG A 54 10.519 -2.784 -29.683 1.00 0.00 C ATOM 855 NE ARG A 54 10.937 -3.780 -30.666 1.00 0.00 N ATOM 856 CZ ARG A 54 10.448 -3.847 -31.899 1.00 0.00 C ATOM 857 NH1 ARG A 54 9.528 -2.979 -32.298 1.00 0.00 N ATOM 858 NH2 ARG A 54 10.879 -4.782 -32.736 1.00 0.00 N ATOM 0 H ARG A 54 5.987 -3.738 -29.165 1.00 0.00 H new ATOM 0 HA ARG A 54 6.990 -2.964 -27.337 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.470 -1.179 -29.309 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.978 -1.515 -27.666 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.414 -3.824 -28.165 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.589 -3.723 -29.708 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.407 -1.816 -30.172 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.297 -2.671 -28.928 1.00 0.00 H new ATOM 0 HE ARG A 54 11.644 -4.462 -30.390 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.195 -2.258 -31.658 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.154 -3.032 -33.245 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.587 -5.451 -32.433 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.502 -4.832 -33.683 1.00 0.00 H new ATOM 872 N ARG A 55 5.031 -1.004 -27.425 1.00 0.00 N ATOM 873 CA ARG A 55 4.280 0.147 -26.939 1.00 0.00 C ATOM 874 C ARG A 55 3.771 -0.095 -25.521 1.00 0.00 C ATOM 875 O ARG A 55 2.766 0.481 -25.104 1.00 0.00 O ATOM 876 CB ARG A 55 3.103 0.445 -27.871 1.00 0.00 C ATOM 877 CG ARG A 55 3.512 0.661 -29.319 1.00 0.00 C ATOM 878 CD ARG A 55 3.986 2.086 -29.558 1.00 0.00 C ATOM 879 NE ARG A 55 5.406 2.248 -29.262 1.00 0.00 N ATOM 880 CZ ARG A 55 6.082 3.368 -29.492 1.00 0.00 C ATOM 881 NH1 ARG A 55 5.469 4.420 -30.018 1.00 0.00 N ATOM 882 NH2 ARG A 55 7.374 3.438 -29.195 1.00 0.00 N ATOM 0 H ARG A 55 4.466 -1.836 -27.594 1.00 0.00 H new ATOM 0 HA ARG A 55 4.950 1.007 -26.924 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.394 -0.381 -27.822 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.583 1.333 -27.513 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.307 -0.037 -29.581 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.668 0.443 -29.973 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.799 2.361 -30.596 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.406 2.770 -28.938 1.00 0.00 H new ATOM 0 HE ARG A 55 5.907 1.458 -28.856 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.476 4.370 -30.247 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.990 5.279 -30.194 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.849 2.631 -28.790 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.892 4.299 -29.372 1.00 0.00 H new ATOM 896 N VAL A 56 4.472 -0.951 -24.784 1.00 0.00 N ATOM 897 CA VAL A 56 4.092 -1.268 -23.413 1.00 0.00 C ATOM 898 C VAL A 56 5.054 -0.633 -22.415 1.00 0.00 C ATOM 899 O VAL A 56 6.236 -0.448 -22.707 1.00 0.00 O ATOM 900 CB VAL A 56 4.058 -2.790 -23.179 1.00 0.00 C ATOM 901 CG1 VAL A 56 5.459 -3.376 -23.269 1.00 0.00 C ATOM 902 CG2 VAL A 56 3.424 -3.107 -21.832 1.00 0.00 C ATOM 0 H VAL A 56 5.306 -1.437 -25.114 1.00 0.00 H new ATOM 0 HA VAL A 56 3.093 -0.861 -23.259 1.00 0.00 H new ATOM 0 HB VAL A 56 3.449 -3.247 -23.959 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.415 -4.452 -23.101 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.873 -3.180 -24.258 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.095 -2.916 -22.512 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.408 -4.187 -21.683 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.005 -2.639 -21.037 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.404 -2.722 -21.810 1.00 0.00 H new ATOM 912 N ASP A 57 4.540 -0.301 -21.236 1.00 0.00 N ATOM 913 CA ASP A 57 5.354 0.313 -20.193 1.00 0.00 C ATOM 914 C ASP A 57 4.661 0.217 -18.837 1.00 0.00 C ATOM 915 O ASP A 57 3.560 -0.323 -18.729 1.00 0.00 O ATOM 916 CB ASP A 57 5.638 1.776 -20.533 1.00 0.00 C ATOM 917 CG ASP A 57 4.384 2.628 -20.519 1.00 0.00 C ATOM 918 OD1 ASP A 57 3.910 2.970 -19.415 1.00 0.00 O ATOM 919 OD2 ASP A 57 3.876 2.953 -21.612 1.00 0.00 O ATOM 0 H ASP A 57 3.564 -0.447 -20.978 1.00 0.00 H new ATOM 0 HA ASP A 57 6.299 -0.228 -20.137 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.356 2.179 -19.818 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.102 1.834 -21.518 1.00 0.00 H new ATOM 924 N GLN A 58 5.314 0.745 -17.806 1.00 0.00 N ATOM 925 CA GLN A 58 4.760 0.717 -16.458 1.00 0.00 C ATOM 926 C GLN A 58 4.009 2.009 -16.151 1.00 0.00 C ATOM 927 O GLN A 58 4.334 3.070 -16.684 1.00 0.00 O ATOM 928 CB GLN A 58 5.875 0.506 -15.431 1.00 0.00 C ATOM 929 CG GLN A 58 6.907 1.622 -15.415 1.00 0.00 C ATOM 930 CD GLN A 58 6.554 2.729 -14.441 1.00 0.00 C ATOM 931 OE1 GLN A 58 5.666 2.573 -13.601 1.00 0.00 O ATOM 932 NE2 GLN A 58 7.249 3.855 -14.547 1.00 0.00 N ATOM 0 H GLN A 58 6.226 1.196 -17.879 1.00 0.00 H new ATOM 0 HA GLN A 58 4.057 -0.114 -16.398 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.432 0.418 -14.439 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.377 -0.439 -15.641 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.880 1.208 -15.151 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.999 2.041 -16.417 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.976 3.941 -15.258 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.056 4.634 -13.918 1.00 0.00 H new ATOM 941 N PHE A 59 3.001 1.911 -15.290 1.00 0.00 N ATOM 942 CA PHE A 59 2.202 3.071 -14.913 1.00 0.00 C ATOM 943 C PHE A 59 1.294 2.745 -13.731 1.00 0.00 C ATOM 944 O PHE A 59 0.713 1.663 -13.662 1.00 0.00 O ATOM 945 CB PHE A 59 1.362 3.545 -16.101 1.00 0.00 C ATOM 946 CG PHE A 59 0.728 4.890 -15.888 1.00 0.00 C ATOM 947 CD1 PHE A 59 1.506 5.998 -15.594 1.00 0.00 C ATOM 948 CD2 PHE A 59 -0.646 5.046 -15.983 1.00 0.00 C ATOM 949 CE1 PHE A 59 0.925 7.236 -15.397 1.00 0.00 C ATOM 950 CE2 PHE A 59 -1.232 6.282 -15.787 1.00 0.00 C ATOM 951 CZ PHE A 59 -0.445 7.379 -15.495 1.00 0.00 C ATOM 0 H PHE A 59 2.718 1.040 -14.840 1.00 0.00 H new ATOM 0 HA PHE A 59 2.882 3.869 -14.616 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.993 3.586 -16.989 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.581 2.811 -16.299 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.578 5.893 -15.518 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.266 4.192 -16.213 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.542 8.092 -15.166 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.304 6.390 -15.862 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.900 8.347 -15.344 1.00 0.00 H new ATOM 961 N GLN A 60 1.180 3.690 -12.803 1.00 0.00 N ATOM 962 CA GLN A 60 0.345 3.503 -11.622 1.00 0.00 C ATOM 963 C GLN A 60 -0.823 4.484 -11.621 1.00 0.00 C ATOM 964 O GLN A 60 -0.698 5.614 -12.095 1.00 0.00 O ATOM 965 CB GLN A 60 1.175 3.680 -10.350 1.00 0.00 C ATOM 966 CG GLN A 60 0.482 3.174 -9.096 1.00 0.00 C ATOM 967 CD GLN A 60 0.721 4.069 -7.896 1.00 0.00 C ATOM 968 OE1 GLN A 60 1.854 4.462 -7.615 1.00 0.00 O ATOM 969 NE2 GLN A 60 -0.349 4.398 -7.180 1.00 0.00 N ATOM 0 H GLN A 60 1.655 4.592 -12.846 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.055 2.489 -11.648 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.123 3.155 -10.468 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.410 4.737 -10.224 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.589 3.101 -9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.836 2.168 -8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.269 4.050 -7.449 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.250 4.999 -6.362 1.00 0.00 H new ATOM 978 N ILE A 61 -1.958 4.044 -11.088 1.00 0.00 N ATOM 979 CA ILE A 61 -3.148 4.884 -11.025 1.00 0.00 C ATOM 980 C ILE A 61 -2.937 6.066 -10.085 1.00 0.00 C ATOM 981 O ILE A 61 -3.688 7.040 -10.119 1.00 0.00 O ATOM 982 CB ILE A 61 -4.378 4.084 -10.558 1.00 0.00 C ATOM 983 CG1 ILE A 61 -4.536 2.814 -11.397 1.00 0.00 C ATOM 984 CG2 ILE A 61 -5.631 4.942 -10.643 1.00 0.00 C ATOM 985 CD1 ILE A 61 -5.650 1.909 -10.919 1.00 0.00 C ATOM 0 H ILE A 61 -2.079 3.111 -10.694 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.327 5.253 -12.035 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.231 3.793 -9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.726 3.094 -12.433 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.597 2.260 -11.383 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.492 4.363 -10.310 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.515 5.819 -10.006 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.785 5.260 -11.674 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.704 1.029 -11.560 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.452 1.599 -9.893 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.598 2.446 -10.959 1.00 0.00 H new ATOM 997 N ASN A 62 -1.910 5.973 -9.247 1.00 0.00 N ATOM 998 CA ASN A 62 -1.599 7.036 -8.298 1.00 0.00 C ATOM 999 C ASN A 62 -2.733 7.217 -7.293 1.00 0.00 C ATOM 1000 O ASN A 62 -3.253 8.319 -7.121 1.00 0.00 O ATOM 1001 CB ASN A 62 -1.343 8.351 -9.038 1.00 0.00 C ATOM 1002 CG ASN A 62 -0.570 8.148 -10.326 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -1.151 8.093 -11.410 1.00 0.00 O ATOM 1004 ND2 ASN A 62 0.748 8.035 -10.213 1.00 0.00 N ATOM 0 H ASN A 62 -1.279 5.173 -9.206 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.698 6.752 -7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.296 8.831 -9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.789 9.029 -8.388 1.00 0.00 H new ATOM 0 HD21 ASN A 62 1.321 7.897 -11.045 1.00 0.00 H new ATOM 0 HD22 ASN A 62 1.187 8.087 -9.294 1.00 0.00 H new ATOM 1011 N ALA A 63 -3.111 6.127 -6.633 1.00 0.00 N ATOM 1012 CA ALA A 63 -4.181 6.166 -5.644 1.00 0.00 C ATOM 1013 C ALA A 63 -4.200 4.892 -4.806 1.00 0.00 C ATOM 1014 O ALA A 63 -3.276 4.082 -4.870 1.00 0.00 O ATOM 1015 CB ALA A 63 -5.525 6.370 -6.328 1.00 0.00 C ATOM 0 H ALA A 63 -2.692 5.206 -6.765 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.994 7.007 -4.976 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.315 6.397 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.514 7.311 -6.878 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.710 5.548 -7.020 1.00 0.00 H new ATOM 1021 N SER A 64 -5.259 4.722 -4.020 1.00 0.00 N ATOM 1022 CA SER A 64 -5.395 3.548 -3.166 1.00 0.00 C ATOM 1023 C SER A 64 -5.747 2.314 -3.990 1.00 0.00 C ATOM 1024 O SER A 64 -5.523 1.183 -3.561 1.00 0.00 O ATOM 1025 CB SER A 64 -6.469 3.788 -2.102 1.00 0.00 C ATOM 1026 OG SER A 64 -7.751 3.917 -2.692 1.00 0.00 O ATOM 0 H SER A 64 -6.034 5.382 -3.957 1.00 0.00 H new ATOM 0 HA SER A 64 -4.438 3.374 -2.674 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.473 2.961 -1.392 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.232 4.690 -1.538 1.00 0.00 H new ATOM 0 HG SER A 64 -8.420 4.068 -1.992 1.00 0.00 H new ATOM 1032 N ALA A 65 -6.300 2.541 -5.177 1.00 0.00 N ATOM 1033 CA ALA A 65 -6.681 1.448 -6.064 1.00 0.00 C ATOM 1034 C ALA A 65 -5.516 0.489 -6.286 1.00 0.00 C ATOM 1035 O ALA A 65 -4.388 0.763 -5.878 1.00 0.00 O ATOM 1036 CB ALA A 65 -7.177 1.996 -7.394 1.00 0.00 C ATOM 0 H ALA A 65 -6.494 3.472 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.489 0.892 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.458 1.169 -8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.044 2.635 -7.224 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.385 2.577 -7.866 1.00 0.00 H new ATOM 1042 N ALA A 66 -5.798 -0.636 -6.934 1.00 0.00 N ATOM 1043 CA ALA A 66 -4.773 -1.635 -7.211 1.00 0.00 C ATOM 1044 C ALA A 66 -3.558 -1.003 -7.882 1.00 0.00 C ATOM 1045 O ALA A 66 -3.693 -0.100 -8.708 1.00 0.00 O ATOM 1046 CB ALA A 66 -5.341 -2.746 -8.082 1.00 0.00 C ATOM 0 H ALA A 66 -6.727 -0.879 -7.277 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.450 -2.062 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.565 -3.485 -8.281 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -6.173 -3.224 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.692 -2.326 -9.024 1.00 0.00 H new ATOM 1052 N GLN A 67 -2.372 -1.483 -7.522 1.00 0.00 N ATOM 1053 CA GLN A 67 -1.133 -0.964 -8.088 1.00 0.00 C ATOM 1054 C GLN A 67 -0.471 -2.000 -8.990 1.00 0.00 C ATOM 1055 O GLN A 67 -0.220 -3.131 -8.573 1.00 0.00 O ATOM 1056 CB GLN A 67 -0.171 -0.551 -6.973 1.00 0.00 C ATOM 1057 CG GLN A 67 1.224 -0.208 -7.469 1.00 0.00 C ATOM 1058 CD GLN A 67 1.958 0.739 -6.541 1.00 0.00 C ATOM 1059 OE1 GLN A 67 1.903 0.596 -5.319 1.00 0.00 O ATOM 1060 NE2 GLN A 67 2.650 1.715 -7.117 1.00 0.00 N ATOM 0 H GLN A 67 -2.243 -2.231 -6.841 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.377 -0.088 -8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.584 0.311 -6.449 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.100 -1.361 -6.247 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.803 -1.125 -7.577 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.153 0.242 -8.459 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.668 1.796 -8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.164 2.384 -6.543 1.00 0.00 H new ATOM 1069 N ILE A 68 -0.190 -1.606 -10.228 1.00 0.00 N ATOM 1070 CA ILE A 68 0.445 -2.501 -11.188 1.00 0.00 C ATOM 1071 C ILE A 68 1.641 -1.831 -11.857 1.00 0.00 C ATOM 1072 O ILE A 68 1.601 -0.642 -12.174 1.00 0.00 O ATOM 1073 CB ILE A 68 -0.548 -2.957 -12.274 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.797 -3.564 -11.632 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.114 -3.958 -13.209 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -3.079 -2.866 -12.026 1.00 0.00 C ATOM 0 H ILE A 68 -0.392 -0.674 -10.589 1.00 0.00 H new ATOM 0 HA ILE A 68 0.786 -3.373 -10.629 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.850 -2.088 -12.858 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.865 -4.615 -11.911 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.692 -3.528 -10.548 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.600 -4.271 -13.971 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.976 -3.494 -13.688 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.441 -4.828 -12.639 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.923 -3.350 -11.534 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.032 -1.820 -11.722 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.208 -2.924 -13.107 1.00 0.00 H new ATOM 1088 N ILE A 69 2.701 -2.603 -12.069 1.00 0.00 N ATOM 1089 CA ILE A 69 3.907 -2.085 -12.703 1.00 0.00 C ATOM 1090 C ILE A 69 4.511 -3.110 -13.657 1.00 0.00 C ATOM 1091 O ILE A 69 4.702 -4.272 -13.297 1.00 0.00 O ATOM 1092 CB ILE A 69 4.966 -1.687 -11.658 1.00 0.00 C ATOM 1093 CG1 ILE A 69 4.403 -0.629 -10.707 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.223 -1.174 -12.346 1.00 0.00 C ATOM 1095 CD1 ILE A 69 3.705 -1.213 -9.498 1.00 0.00 C ATOM 0 H ILE A 69 2.749 -3.589 -11.811 1.00 0.00 H new ATOM 0 HA ILE A 69 3.612 -1.199 -13.265 1.00 0.00 H new ATOM 0 HB ILE A 69 5.229 -2.569 -11.075 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.216 0.015 -10.371 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.701 0.001 -11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.962 -0.897 -11.594 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.632 -1.956 -12.986 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.976 -0.302 -12.951 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.331 -0.406 -8.868 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.871 -1.834 -9.824 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.409 -1.820 -8.929 1.00 0.00 H new ATOM 1107 N VAL A 70 4.810 -2.672 -14.876 1.00 0.00 N ATOM 1108 CA VAL A 70 5.395 -3.551 -15.882 1.00 0.00 C ATOM 1109 C VAL A 70 6.918 -3.514 -15.825 1.00 0.00 C ATOM 1110 O VAL A 70 7.539 -2.497 -16.139 1.00 0.00 O ATOM 1111 CB VAL A 70 4.936 -3.164 -17.300 1.00 0.00 C ATOM 1112 CG1 VAL A 70 5.580 -4.073 -18.336 1.00 0.00 C ATOM 1113 CG2 VAL A 70 3.419 -3.217 -17.401 1.00 0.00 C ATOM 0 H VAL A 70 4.657 -1.714 -15.191 1.00 0.00 H new ATOM 0 HA VAL A 70 5.050 -4.561 -15.659 1.00 0.00 H new ATOM 0 HB VAL A 70 5.255 -2.141 -17.501 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.244 -3.785 -19.332 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.664 -3.980 -18.278 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.294 -5.107 -18.141 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.112 -2.941 -18.410 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.075 -4.227 -17.181 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.982 -2.521 -16.685 1.00 0.00 H new ATOM 1123 N THR A 71 7.517 -4.630 -15.422 1.00 0.00 N ATOM 1124 CA THR A 71 8.968 -4.726 -15.323 1.00 0.00 C ATOM 1125 C THR A 71 9.533 -5.649 -16.397 1.00 0.00 C ATOM 1126 O THR A 71 9.916 -6.784 -16.115 1.00 0.00 O ATOM 1127 CB THR A 71 9.404 -5.242 -13.938 1.00 0.00 C ATOM 1128 OG1 THR A 71 10.801 -5.554 -13.949 1.00 0.00 O ATOM 1129 CG2 THR A 71 8.607 -6.477 -13.546 1.00 0.00 C ATOM 0 H THR A 71 7.019 -5.481 -15.159 1.00 0.00 H new ATOM 0 HA THR A 71 9.362 -3.720 -15.468 1.00 0.00 H new ATOM 0 HB THR A 71 9.213 -4.458 -13.206 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.952 -6.361 -14.484 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.932 -6.823 -12.565 1.00 0.00 H new ATOM 0 HG22 THR A 71 7.546 -6.229 -13.510 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.771 -7.265 -14.282 1.00 0.00 H new ATOM 1137 N ASP A 72 9.582 -5.154 -17.629 1.00 0.00 N ATOM 1138 CA ASP A 72 10.102 -5.933 -18.746 1.00 0.00 C ATOM 1139 C ASP A 72 11.616 -5.781 -18.857 1.00 0.00 C ATOM 1140 O ASP A 72 12.361 -6.750 -18.703 1.00 0.00 O ATOM 1141 CB ASP A 72 9.436 -5.499 -20.052 1.00 0.00 C ATOM 1142 CG ASP A 72 9.541 -4.005 -20.287 1.00 0.00 C ATOM 1143 OD1 ASP A 72 10.396 -3.362 -19.644 1.00 0.00 O ATOM 1144 OD2 ASP A 72 8.766 -3.478 -21.113 1.00 0.00 O ATOM 0 H ASP A 72 9.268 -4.216 -17.879 1.00 0.00 H new ATOM 0 HA ASP A 72 9.873 -6.983 -18.562 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.898 -6.028 -20.885 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.385 -5.788 -20.034 1.00 0.00 H new TER 1149 ASP A 72