USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -127:sc= -0.975! (180deg=-4.1!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 0.579! (180deg=0.335!) USER MOD Single : A 10 SER OG : rot 92:sc= -1.67! USER MOD Single : A 14 LYS NZ :NH3+ -158:sc= -0.002 (180deg=-0.266) USER MOD Single : A 16 LYS NZ :NH3+ -120:sc= -2.93 (180deg=-3.35!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.798 USER MOD Single : A 29 SER OG : rot -108:sc= 0.341 USER MOD Single : A 41 THR OG1 : rot 36:sc= 0.198 USER MOD Single : A 46 MET CE :methyl -154:sc= -0.235 (180deg=-1.51!) USER MOD Single : A 47 ASN :FLIP amide:sc= 0.138 F(o=-1.9!,f=0.14) USER MOD Single : A 55 ASN : amide:sc= -0.65 K(o=-0.65,f=-1.4) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= -4.86! (180deg=-5.02!) USER MOD Single : A 62 GLN : amide:sc= -0.387 K(o=-0.39,f=-2.4!) USER MOD Single : A 65 SER OG : rot 170:sc= -2.01 USER MOD Single : A 66 THR OG1 : rot -107:sc= 0.426 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.833 F(o=-5!,f=-0.83) USER MOD Single : A 69 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.685 -3.703 7.020 1.00 1.00 N ATOM 2 CA ALA A 1 -9.930 -3.850 5.559 1.00 1.00 C ATOM 3 C ALA A 1 -10.231 -5.311 5.240 1.00 1.00 C ATOM 4 O ALA A 1 -10.284 -6.152 6.137 1.00 1.00 O ATOM 5 CB ALA A 1 -8.692 -3.385 4.787 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.302 -2.958 7.402 1.00 1.00 H new ATOM 0 H2 ALA A 1 -9.891 -4.603 7.499 1.00 1.00 H new ATOM 0 H3 ALA A 1 -8.690 -3.445 7.181 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.783 -3.239 5.264 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.869 -3.492 3.717 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.490 -2.339 5.019 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -7.834 -3.993 5.075 1.00 1.00 H new ATOM 13 N LYS A 2 -10.425 -5.606 3.958 1.00 1.00 N ATOM 14 CA LYS A 2 -10.720 -6.969 3.528 1.00 1.00 C ATOM 15 C LYS A 2 -9.432 -7.715 3.203 1.00 1.00 C ATOM 16 O LYS A 2 -8.438 -7.115 2.811 1.00 1.00 O ATOM 17 CB LYS A 2 -11.623 -6.942 2.296 1.00 1.00 C ATOM 18 CG LYS A 2 -12.990 -6.371 2.677 1.00 1.00 C ATOM 19 CD LYS A 2 -13.892 -6.335 1.442 1.00 1.00 C ATOM 20 CE LYS A 2 -15.268 -5.791 1.829 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.141 -5.745 0.623 1.00 1.00 N ATOM 0 H LYS A 2 -10.384 -4.923 3.202 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.231 -7.486 4.340 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.169 -6.335 1.513 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.737 -7.949 1.893 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.447 -6.982 3.456 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -12.875 -5.367 3.086 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.445 -5.708 0.671 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -13.990 -7.336 1.021 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -15.719 -6.423 2.594 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.169 -4.794 2.258 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -17.077 -5.375 0.886 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.712 -5.124 -0.093 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -16.245 -6.703 0.233 1.00 1.00 H new ATOM 35 N LYS A 3 -9.459 -9.030 3.372 1.00 1.00 N ATOM 36 CA LYS A 3 -8.282 -9.846 3.106 1.00 1.00 C ATOM 37 C LYS A 3 -7.851 -9.716 1.649 1.00 1.00 C ATOM 38 O LYS A 3 -6.660 -9.633 1.353 1.00 1.00 O ATOM 39 CB LYS A 3 -8.596 -11.312 3.409 1.00 1.00 C ATOM 40 CG LYS A 3 -8.764 -11.501 4.919 1.00 1.00 C ATOM 41 CD LYS A 3 -9.421 -12.857 5.197 1.00 1.00 C ATOM 42 CE LYS A 3 -8.662 -13.960 4.455 1.00 1.00 C ATOM 43 NZ LYS A 3 -9.011 -15.284 5.042 1.00 1.00 N ATOM 0 H LYS A 3 -10.276 -9.551 3.690 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.470 -9.498 3.745 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.507 -11.614 2.891 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.793 -11.950 3.040 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -7.794 -11.448 5.413 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.376 -10.698 5.330 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -9.421 -13.059 6.268 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -10.463 -12.840 4.876 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -8.916 -13.942 3.395 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -7.588 -13.790 4.528 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -8.496 -16.034 4.538 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -8.747 -15.298 6.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.034 -15.446 4.950 1.00 1.00 H new ATOM 57 N GLU A 4 -8.822 -9.705 0.747 1.00 1.00 N ATOM 58 CA GLU A 4 -8.525 -9.593 -0.674 1.00 1.00 C ATOM 59 C GLU A 4 -7.734 -8.319 -0.959 1.00 1.00 C ATOM 60 O GLU A 4 -6.747 -8.345 -1.696 1.00 1.00 O ATOM 61 CB GLU A 4 -9.831 -9.579 -1.473 1.00 1.00 C ATOM 62 CG GLU A 4 -10.600 -8.286 -1.182 1.00 1.00 C ATOM 63 CD GLU A 4 -12.044 -8.418 -1.650 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.266 -9.096 -2.640 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.908 -7.842 -1.010 1.00 1.00 O ATOM 0 H GLU A 4 -9.815 -9.772 0.971 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.922 -10.451 -0.973 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.617 -9.654 -2.539 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.440 -10.443 -1.208 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.574 -8.071 -0.114 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.121 -7.447 -1.687 1.00 1.00 H new ATOM 72 N THR A 5 -8.177 -7.209 -0.379 1.00 1.00 N ATOM 73 CA THR A 5 -7.508 -5.933 -0.578 1.00 1.00 C ATOM 74 C THR A 5 -6.146 -5.932 0.105 1.00 1.00 C ATOM 75 O THR A 5 -5.164 -5.437 -0.444 1.00 1.00 O ATOM 76 CB THR A 5 -8.366 -4.794 -0.019 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.722 -5.009 -0.383 1.00 1.00 O ATOM 78 CG2 THR A 5 -7.894 -3.466 -0.616 1.00 1.00 C ATOM 0 H THR A 5 -8.994 -7.169 0.230 1.00 1.00 H new ATOM 0 HA THR A 5 -7.366 -5.783 -1.648 1.00 1.00 H new ATOM 0 HB THR A 5 -8.274 -4.765 1.067 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.276 -4.283 -0.026 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.502 -2.653 -0.221 1.00 1.00 H new ATOM 0 HG22 THR A 5 -6.850 -3.299 -0.352 1.00 1.00 H new ATOM 0 HG23 THR A 5 -7.993 -3.499 -1.701 1.00 1.00 H new ATOM 86 N ILE A 6 -6.097 -6.484 1.310 1.00 1.00 N ATOM 87 CA ILE A 6 -4.850 -6.538 2.065 1.00 1.00 C ATOM 88 C ILE A 6 -3.795 -7.323 1.294 1.00 1.00 C ATOM 89 O ILE A 6 -2.644 -6.901 1.202 1.00 1.00 O ATOM 90 CB ILE A 6 -5.093 -7.202 3.428 1.00 1.00 C ATOM 91 CG1 ILE A 6 -5.909 -6.258 4.316 1.00 1.00 C ATOM 92 CG2 ILE A 6 -3.756 -7.511 4.102 1.00 1.00 C ATOM 93 CD1 ILE A 6 -6.392 -7.012 5.558 1.00 1.00 C ATOM 0 H ILE A 6 -6.900 -6.898 1.784 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.491 -5.520 2.217 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.642 -8.132 3.282 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.301 -5.403 4.611 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -6.762 -5.867 3.761 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -3.936 -7.982 5.068 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.178 -8.186 3.471 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.199 -6.585 4.248 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -6.973 -6.339 6.189 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.016 -7.853 5.254 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -5.532 -7.382 6.117 1.00 1.00 H new ATOM 105 N ASP A 7 -4.192 -8.463 0.746 1.00 1.00 N ATOM 106 CA ASP A 7 -3.264 -9.294 -0.010 1.00 1.00 C ATOM 107 C ASP A 7 -2.774 -8.540 -1.238 1.00 1.00 C ATOM 108 O ASP A 7 -1.610 -8.649 -1.623 1.00 1.00 O ATOM 109 CB ASP A 7 -3.962 -10.594 -0.435 1.00 1.00 C ATOM 110 CG ASP A 7 -3.924 -11.614 0.703 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.306 -11.327 1.713 1.00 1.00 O ATOM 112 OD2 ASP A 7 -4.503 -12.671 0.540 1.00 1.00 O ATOM 0 H ASP A 7 -5.141 -8.832 0.809 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.408 -9.538 0.619 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -4.996 -10.386 -0.711 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -3.473 -11.006 -1.318 1.00 1.00 H new ATOM 117 N LYS A 8 -3.671 -7.783 -1.859 1.00 1.00 N ATOM 118 CA LYS A 8 -3.310 -7.017 -3.043 1.00 1.00 C ATOM 119 C LYS A 8 -2.321 -5.917 -2.701 1.00 1.00 C ATOM 120 O LYS A 8 -1.321 -5.731 -3.390 1.00 1.00 O ATOM 121 CB LYS A 8 -4.570 -6.402 -3.661 1.00 1.00 C ATOM 122 CG LYS A 8 -5.370 -7.483 -4.399 1.00 1.00 C ATOM 123 CD LYS A 8 -4.836 -7.631 -5.840 1.00 1.00 C ATOM 124 CE LYS A 8 -5.545 -6.630 -6.755 1.00 1.00 C ATOM 125 NZ LYS A 8 -5.051 -6.799 -8.146 1.00 1.00 N ATOM 0 H LYS A 8 -4.643 -7.684 -1.566 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.839 -7.692 -3.758 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -5.185 -5.950 -2.882 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -4.295 -5.605 -4.352 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.289 -8.433 -3.871 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.427 -7.218 -4.418 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.760 -7.458 -5.859 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -5.002 -8.647 -6.198 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.623 -6.787 -6.718 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.359 -5.612 -6.412 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -5.665 -6.272 -8.799 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -4.079 -6.436 -8.216 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -5.062 -7.808 -8.398 1.00 1.00 H new ATOM 139 N VAL A 9 -2.611 -5.186 -1.634 1.00 1.00 N ATOM 140 CA VAL A 9 -1.744 -4.094 -1.210 1.00 1.00 C ATOM 141 C VAL A 9 -0.363 -4.619 -0.838 1.00 1.00 C ATOM 142 O VAL A 9 0.655 -4.052 -1.233 1.00 1.00 O ATOM 143 CB VAL A 9 -2.356 -3.376 -0.005 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.393 -2.294 0.491 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.685 -2.728 -0.411 1.00 1.00 C ATOM 0 H VAL A 9 -3.434 -5.327 -1.049 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.645 -3.394 -2.040 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.533 -4.098 0.792 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.830 -1.783 1.349 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.449 -2.754 0.784 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -1.213 -1.573 -0.307 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -4.119 -2.217 0.449 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.509 -2.008 -1.210 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.373 -3.498 -0.761 1.00 1.00 H new ATOM 155 N SER A 10 -0.337 -5.696 -0.067 1.00 1.00 N ATOM 156 CA SER A 10 0.925 -6.278 0.366 1.00 1.00 C ATOM 157 C SER A 10 1.759 -6.709 -0.830 1.00 1.00 C ATOM 158 O SER A 10 2.964 -6.490 -0.860 1.00 1.00 O ATOM 159 CB SER A 10 0.660 -7.494 1.257 1.00 1.00 C ATOM 160 OG SER A 10 -0.283 -7.147 2.260 1.00 1.00 O ATOM 0 H SER A 10 -1.168 -6.182 0.270 1.00 1.00 H new ATOM 0 HA SER A 10 1.474 -5.521 0.926 1.00 1.00 H new ATOM 0 HB2 SER A 10 0.282 -8.322 0.658 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.589 -7.831 1.717 1.00 1.00 H new ATOM 0 HG SER A 10 -1.187 -7.361 1.947 1.00 1.00 H new ATOM 166 N ASP A 11 1.110 -7.317 -1.815 1.00 1.00 N ATOM 167 CA ASP A 11 1.807 -7.791 -3.003 1.00 1.00 C ATOM 168 C ASP A 11 2.611 -6.672 -3.641 1.00 1.00 C ATOM 169 O ASP A 11 3.767 -6.856 -4.003 1.00 1.00 O ATOM 170 CB ASP A 11 0.798 -8.334 -4.019 1.00 1.00 C ATOM 171 CG ASP A 11 1.523 -9.118 -5.107 1.00 1.00 C ATOM 172 OD1 ASP A 11 2.625 -9.573 -4.850 1.00 1.00 O ATOM 173 OD2 ASP A 11 0.963 -9.256 -6.183 1.00 1.00 O ATOM 0 H ASP A 11 0.105 -7.493 -1.815 1.00 1.00 H new ATOM 0 HA ASP A 11 2.490 -8.586 -2.702 1.00 1.00 H new ATOM 0 HB2 ASP A 11 0.074 -8.977 -3.517 1.00 1.00 H new ATOM 0 HB3 ASP A 11 0.239 -7.511 -4.464 1.00 1.00 H new ATOM 178 N ILE A 12 2.003 -5.508 -3.762 1.00 1.00 N ATOM 179 CA ILE A 12 2.681 -4.376 -4.362 1.00 1.00 C ATOM 180 C ILE A 12 4.014 -4.131 -3.674 1.00 1.00 C ATOM 181 O ILE A 12 4.994 -3.823 -4.338 1.00 1.00 O ATOM 182 CB ILE A 12 1.786 -3.113 -4.263 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.896 -2.995 -5.509 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.649 -1.850 -4.139 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.155 -4.103 -5.503 1.00 1.00 C ATOM 0 H ILE A 12 1.048 -5.322 -3.455 1.00 1.00 H new ATOM 0 HA ILE A 12 2.870 -4.596 -5.413 1.00 1.00 H new ATOM 0 HB ILE A 12 1.161 -3.209 -3.375 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.409 -2.020 -5.528 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.505 -3.065 -6.410 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.004 -0.974 -4.071 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.266 -1.917 -3.243 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.291 -1.760 -5.015 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.783 -4.014 -6.389 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.340 -5.074 -5.505 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.773 -4.013 -4.610 1.00 1.00 H new ATOM 197 N VAL A 13 4.017 -4.198 -2.356 1.00 1.00 N ATOM 198 CA VAL A 13 5.228 -3.934 -1.595 1.00 1.00 C ATOM 199 C VAL A 13 6.289 -4.974 -1.915 1.00 1.00 C ATOM 200 O VAL A 13 7.454 -4.644 -2.129 1.00 1.00 O ATOM 201 CB VAL A 13 4.914 -3.956 -0.099 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.206 -3.758 0.695 1.00 1.00 C ATOM 203 CG2 VAL A 13 3.932 -2.830 0.238 1.00 1.00 C ATOM 0 H VAL A 13 3.201 -4.431 -1.791 1.00 1.00 H new ATOM 0 HA VAL A 13 5.608 -2.950 -1.869 1.00 1.00 H new ATOM 0 HB VAL A 13 4.468 -4.915 0.162 1.00 1.00 H new ATOM 0 HG11 VAL A 13 5.983 -3.773 1.762 1.00 1.00 H new ATOM 0 HG12 VAL A 13 6.905 -4.560 0.458 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.652 -2.799 0.431 1.00 1.00 H new ATOM 0 HG21 VAL A 13 3.710 -2.848 1.305 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.376 -1.870 -0.024 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.010 -2.970 -0.327 1.00 1.00 H new ATOM 213 N LYS A 14 5.881 -6.236 -1.934 1.00 1.00 N ATOM 214 CA LYS A 14 6.809 -7.329 -2.213 1.00 1.00 C ATOM 215 C LYS A 14 7.365 -7.208 -3.627 1.00 1.00 C ATOM 216 O LYS A 14 8.536 -7.492 -3.869 1.00 1.00 O ATOM 217 CB LYS A 14 6.096 -8.668 -2.056 1.00 1.00 C ATOM 218 CG LYS A 14 5.346 -8.695 -0.721 1.00 1.00 C ATOM 219 CD LYS A 14 5.066 -10.148 -0.317 1.00 1.00 C ATOM 220 CE LYS A 14 6.339 -10.776 0.295 1.00 1.00 C ATOM 221 NZ LYS A 14 6.069 -11.141 1.708 1.00 1.00 N ATOM 0 H LYS A 14 4.920 -6.529 -1.761 1.00 1.00 H new ATOM 0 HA LYS A 14 7.635 -7.273 -1.504 1.00 1.00 H new ATOM 0 HB2 LYS A 14 5.399 -8.819 -2.880 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.818 -9.483 -2.096 1.00 1.00 H new ATOM 0 HG2 LYS A 14 5.937 -8.200 0.050 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.409 -8.144 -0.807 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.249 -10.184 0.404 1.00 1.00 H new ATOM 0 HD3 LYS A 14 4.748 -10.722 -1.187 1.00 1.00 H new ATOM 0 HE2 LYS A 14 6.632 -11.659 -0.272 1.00 1.00 H new ATOM 0 HE3 LYS A 14 7.169 -10.072 0.241 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 6.968 -11.207 2.227 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.469 -10.413 2.146 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 5.581 -12.059 1.742 1.00 1.00 H new ATOM 235 N GLU A 15 6.514 -6.795 -4.557 1.00 1.00 N ATOM 236 CA GLU A 15 6.930 -6.645 -5.944 1.00 1.00 C ATOM 237 C GLU A 15 8.169 -5.761 -6.047 1.00 1.00 C ATOM 238 O GLU A 15 8.999 -5.944 -6.932 1.00 1.00 O ATOM 239 CB GLU A 15 5.789 -6.035 -6.769 1.00 1.00 C ATOM 240 CG GLU A 15 4.713 -7.093 -7.021 1.00 1.00 C ATOM 241 CD GLU A 15 3.502 -6.457 -7.695 1.00 1.00 C ATOM 242 OE1 GLU A 15 3.550 -5.264 -7.950 1.00 1.00 O ATOM 243 OE2 GLU A 15 2.547 -7.171 -7.947 1.00 1.00 O ATOM 0 H GLU A 15 5.538 -6.559 -4.378 1.00 1.00 H new ATOM 0 HA GLU A 15 7.175 -7.632 -6.336 1.00 1.00 H new ATOM 0 HB2 GLU A 15 5.359 -5.184 -6.240 1.00 1.00 H new ATOM 0 HB3 GLU A 15 6.173 -5.660 -7.718 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.114 -7.888 -7.650 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.415 -7.552 -6.078 1.00 1.00 H new ATOM 250 N LYS A 16 8.282 -4.808 -5.138 1.00 1.00 N ATOM 251 CA LYS A 16 9.419 -3.897 -5.143 1.00 1.00 C ATOM 252 C LYS A 16 10.716 -4.672 -4.977 1.00 1.00 C ATOM 253 O LYS A 16 11.639 -4.524 -5.762 1.00 1.00 O ATOM 254 CB LYS A 16 9.264 -2.876 -4.010 1.00 1.00 C ATOM 255 CG LYS A 16 7.817 -2.363 -3.952 1.00 1.00 C ATOM 256 CD LYS A 16 7.587 -1.325 -5.053 1.00 1.00 C ATOM 257 CE LYS A 16 8.315 -0.022 -4.700 1.00 1.00 C ATOM 258 NZ LYS A 16 7.664 1.108 -5.396 1.00 1.00 N ATOM 0 H LYS A 16 7.607 -4.643 -4.391 1.00 1.00 H new ATOM 0 HA LYS A 16 9.451 -3.371 -6.097 1.00 1.00 H new ATOM 0 HB2 LYS A 16 9.533 -3.334 -3.058 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.947 -2.041 -4.167 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.122 -3.194 -4.073 1.00 1.00 H new ATOM 0 HG3 LYS A 16 7.618 -1.921 -2.976 1.00 1.00 H new ATOM 0 HD2 LYS A 16 7.949 -1.707 -6.007 1.00 1.00 H new ATOM 0 HD3 LYS A 16 6.520 -1.136 -5.170 1.00 1.00 H new ATOM 0 HE2 LYS A 16 8.293 0.139 -3.622 1.00 1.00 H new ATOM 0 HE3 LYS A 16 9.363 -0.088 -4.991 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 8.352 1.573 -6.022 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 6.866 0.754 -5.961 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 7.315 1.793 -4.695 1.00 1.00 H new ATOM 272 N LEU A 17 10.771 -5.511 -3.959 1.00 1.00 N ATOM 273 CA LEU A 17 11.954 -6.318 -3.692 1.00 1.00 C ATOM 274 C LEU A 17 11.914 -7.579 -4.514 1.00 1.00 C ATOM 275 O LEU A 17 12.777 -8.440 -4.370 1.00 1.00 O ATOM 276 CB LEU A 17 12.015 -6.674 -2.197 1.00 1.00 C ATOM 277 CG LEU A 17 11.770 -5.433 -1.333 1.00 1.00 C ATOM 278 CD1 LEU A 17 12.439 -4.197 -1.968 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.256 -5.191 -1.151 1.00 1.00 C ATOM 0 H LEU A 17 10.007 -5.654 -3.298 1.00 1.00 H new ATOM 0 HA LEU A 17 12.842 -5.746 -3.962 1.00 1.00 H new ATOM 0 HB2 LEU A 17 11.269 -7.435 -1.969 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.989 -7.102 -1.960 1.00 1.00 H new ATOM 0 HG LEU A 17 12.213 -5.602 -0.351 1.00 1.00 H new ATOM 0 HD11 LEU A 17 12.256 -3.323 -1.343 1.00 1.00 H new ATOM 0 HD12 LEU A 17 13.513 -4.366 -2.050 1.00 1.00 H new ATOM 0 HD13 LEU A 17 12.022 -4.027 -2.960 1.00 1.00 H new ATOM 0 HD21 LEU A 17 10.101 -4.306 -0.535 1.00 1.00 H new ATOM 0 HD22 LEU A 17 9.792 -5.041 -2.126 1.00 1.00 H new ATOM 0 HD23 LEU A 17 9.805 -6.056 -0.664 1.00 1.00 H new ATOM 291 N ALA A 18 10.888 -7.691 -5.344 1.00 1.00 N ATOM 292 CA ALA A 18 10.724 -8.875 -6.174 1.00 1.00 C ATOM 293 C ALA A 18 10.406 -10.081 -5.304 1.00 1.00 C ATOM 294 O ALA A 18 10.829 -11.200 -5.592 1.00 1.00 O ATOM 295 CB ALA A 18 12.003 -9.144 -6.979 1.00 1.00 C ATOM 0 H ALA A 18 10.162 -6.984 -5.461 1.00 1.00 H new ATOM 0 HA ALA A 18 9.899 -8.702 -6.866 1.00 1.00 H new ATOM 0 HB1 ALA A 18 11.865 -10.033 -7.595 1.00 1.00 H new ATOM 0 HB2 ALA A 18 12.217 -8.288 -7.619 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.837 -9.302 -6.295 1.00 1.00 H new ATOM 301 N LEU A 19 9.684 -9.842 -4.212 1.00 1.00 N ATOM 302 CA LEU A 19 9.338 -10.921 -3.277 1.00 1.00 C ATOM 303 C LEU A 19 7.989 -11.525 -3.625 1.00 1.00 C ATOM 304 O LEU A 19 7.463 -11.298 -4.710 1.00 1.00 O ATOM 305 CB LEU A 19 9.331 -10.363 -1.837 1.00 1.00 C ATOM 306 CG LEU A 19 10.667 -10.653 -1.153 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.822 -10.008 -1.950 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.638 -10.088 0.269 1.00 1.00 C ATOM 0 H LEU A 19 9.328 -8.923 -3.950 1.00 1.00 H new ATOM 0 HA LEU A 19 10.084 -11.713 -3.353 1.00 1.00 H new ATOM 0 HB2 LEU A 19 9.150 -9.288 -1.856 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.517 -10.813 -1.268 1.00 1.00 H new ATOM 0 HG LEU A 19 10.827 -11.731 -1.115 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.769 -10.220 -1.454 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.841 -10.418 -2.960 1.00 1.00 H new ATOM 0 HD13 LEU A 19 11.672 -8.929 -1.999 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.589 -10.292 0.761 1.00 1.00 H new ATOM 0 HD22 LEU A 19 10.474 -9.011 0.229 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.830 -10.558 0.831 1.00 1.00 H new ATOM 320 N GLY A 20 7.428 -12.277 -2.682 1.00 1.00 N ATOM 321 CA GLY A 20 6.132 -12.901 -2.881 1.00 1.00 C ATOM 322 C GLY A 20 6.293 -14.357 -3.286 1.00 1.00 C ATOM 323 O GLY A 20 5.335 -14.998 -3.713 1.00 1.00 O ATOM 0 H GLY A 20 7.854 -12.466 -1.775 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.547 -12.836 -1.964 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.578 -12.363 -3.651 1.00 1.00 H new ATOM 327 N ALA A 21 7.510 -14.876 -3.149 1.00 1.00 N ATOM 328 CA ALA A 21 7.780 -16.265 -3.505 1.00 1.00 C ATOM 329 C ALA A 21 7.429 -17.188 -2.349 1.00 1.00 C ATOM 330 O ALA A 21 6.348 -17.773 -2.319 1.00 1.00 O ATOM 331 CB ALA A 21 9.258 -16.434 -3.862 1.00 1.00 C ATOM 0 H ALA A 21 8.318 -14.361 -2.798 1.00 1.00 H new ATOM 0 HA ALA A 21 7.165 -16.527 -4.366 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.452 -17.473 -4.127 1.00 1.00 H new ATOM 0 HB2 ALA A 21 9.504 -15.792 -4.708 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.873 -16.157 -3.006 1.00 1.00 H new ATOM 337 N ASP A 22 8.348 -17.316 -1.394 1.00 1.00 N ATOM 338 CA ASP A 22 8.127 -18.176 -0.228 1.00 1.00 C ATOM 339 C ASP A 22 8.139 -17.355 1.052 1.00 1.00 C ATOM 340 O ASP A 22 8.263 -17.899 2.149 1.00 1.00 O ATOM 341 CB ASP A 22 9.213 -19.250 -0.161 1.00 1.00 C ATOM 342 CG ASP A 22 10.592 -18.603 -0.186 1.00 1.00 C ATOM 343 OD1 ASP A 22 10.660 -17.394 -0.047 1.00 1.00 O ATOM 344 OD2 ASP A 22 11.561 -19.329 -0.341 1.00 1.00 O ATOM 0 H ASP A 22 9.249 -16.839 -1.402 1.00 1.00 H new ATOM 0 HA ASP A 22 7.152 -18.652 -0.329 1.00 1.00 H new ATOM 0 HB2 ASP A 22 9.096 -19.840 0.748 1.00 1.00 H new ATOM 0 HB3 ASP A 22 9.109 -19.936 -1.002 1.00 1.00 H new ATOM 349 N VAL A 23 8.029 -16.037 0.911 1.00 1.00 N ATOM 350 CA VAL A 23 8.041 -15.146 2.066 1.00 1.00 C ATOM 351 C VAL A 23 6.632 -14.953 2.614 1.00 1.00 C ATOM 352 O VAL A 23 5.692 -14.708 1.860 1.00 1.00 O ATOM 353 CB VAL A 23 8.628 -13.789 1.673 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.885 -12.961 2.933 1.00 1.00 C ATOM 355 CG2 VAL A 23 9.944 -13.999 0.920 1.00 1.00 C ATOM 0 H VAL A 23 7.931 -15.564 0.012 1.00 1.00 H new ATOM 0 HA VAL A 23 8.659 -15.599 2.841 1.00 1.00 H new ATOM 0 HB VAL A 23 7.924 -13.261 1.030 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.303 -11.994 2.654 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.947 -12.810 3.467 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.588 -13.488 3.578 1.00 1.00 H new ATOM 0 HG21 VAL A 23 10.362 -13.032 0.640 1.00 1.00 H new ATOM 0 HG22 VAL A 23 10.650 -14.527 1.561 1.00 1.00 H new ATOM 0 HG23 VAL A 23 9.759 -14.588 0.022 1.00 1.00 H new ATOM 365 N VAL A 24 6.496 -15.064 3.932 1.00 1.00 N ATOM 366 CA VAL A 24 5.198 -14.897 4.575 1.00 1.00 C ATOM 367 C VAL A 24 4.738 -13.453 4.460 1.00 1.00 C ATOM 368 O VAL A 24 5.530 -12.523 4.617 1.00 1.00 O ATOM 369 CB VAL A 24 5.286 -15.287 6.049 1.00 1.00 C ATOM 370 CG1 VAL A 24 3.952 -14.990 6.737 1.00 1.00 C ATOM 371 CG2 VAL A 24 5.595 -16.781 6.158 1.00 1.00 C ATOM 0 H VAL A 24 7.264 -15.268 4.572 1.00 1.00 H new ATOM 0 HA VAL A 24 4.478 -15.544 4.074 1.00 1.00 H new ATOM 0 HB VAL A 24 6.077 -14.714 6.532 1.00 1.00 H new ATOM 0 HG11 VAL A 24 4.015 -15.268 7.789 1.00 1.00 H new ATOM 0 HG12 VAL A 24 3.730 -13.926 6.656 1.00 1.00 H new ATOM 0 HG13 VAL A 24 3.159 -15.564 6.257 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.659 -17.064 7.209 1.00 1.00 H new ATOM 0 HG22 VAL A 24 4.802 -17.353 5.676 1.00 1.00 H new ATOM 0 HG23 VAL A 24 6.545 -16.993 5.667 1.00 1.00 H new ATOM 381 N VAL A 25 3.453 -13.264 4.171 1.00 1.00 N ATOM 382 CA VAL A 25 2.893 -11.918 4.024 1.00 1.00 C ATOM 383 C VAL A 25 1.788 -11.689 5.046 1.00 1.00 C ATOM 384 O VAL A 25 0.866 -12.495 5.173 1.00 1.00 O ATOM 385 CB VAL A 25 2.321 -11.748 2.615 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.286 -12.840 2.340 1.00 1.00 C ATOM 387 CG2 VAL A 25 1.658 -10.373 2.501 1.00 1.00 C ATOM 0 H VAL A 25 2.781 -14.019 4.034 1.00 1.00 H new ATOM 0 HA VAL A 25 3.687 -11.190 4.189 1.00 1.00 H new ATOM 0 HB VAL A 25 3.127 -11.828 1.885 1.00 1.00 H new ATOM 0 HG11 VAL A 25 0.882 -12.714 1.335 1.00 1.00 H new ATOM 0 HG12 VAL A 25 1.759 -13.819 2.421 1.00 1.00 H new ATOM 0 HG13 VAL A 25 0.478 -12.767 3.068 1.00 1.00 H new ATOM 0 HG21 VAL A 25 1.249 -10.248 1.498 1.00 1.00 H new ATOM 0 HG22 VAL A 25 0.854 -10.295 3.233 1.00 1.00 H new ATOM 0 HG23 VAL A 25 2.398 -9.595 2.691 1.00 1.00 H new ATOM 397 N THR A 26 1.881 -10.576 5.767 1.00 1.00 N ATOM 398 CA THR A 26 0.879 -10.229 6.777 1.00 1.00 C ATOM 399 C THR A 26 0.460 -8.771 6.634 1.00 1.00 C ATOM 400 O THR A 26 1.151 -7.968 6.010 1.00 1.00 O ATOM 401 CB THR A 26 1.449 -10.483 8.184 1.00 1.00 C ATOM 402 OG1 THR A 26 2.853 -10.271 8.167 1.00 1.00 O ATOM 403 CG2 THR A 26 1.152 -11.915 8.612 1.00 1.00 C ATOM 0 H THR A 26 2.637 -9.898 5.673 1.00 1.00 H new ATOM 0 HA THR A 26 -0.001 -10.855 6.630 1.00 1.00 H new ATOM 0 HB THR A 26 0.984 -9.797 8.892 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.219 -10.430 9.062 1.00 1.00 H new ATOM 0 HG21 THR A 26 1.558 -12.089 9.609 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.074 -12.074 8.627 1.00 1.00 H new ATOM 0 HG23 THR A 26 1.612 -12.608 7.907 1.00 1.00 H new ATOM 411 N ALA A 27 -0.685 -8.436 7.220 1.00 1.00 N ATOM 412 CA ALA A 27 -1.190 -7.075 7.155 1.00 1.00 C ATOM 413 C ALA A 27 -0.369 -6.146 8.051 1.00 1.00 C ATOM 414 O ALA A 27 0.198 -5.159 7.597 1.00 1.00 O ATOM 415 CB ALA A 27 -2.659 -7.046 7.605 1.00 1.00 C ATOM 0 H ALA A 27 -1.275 -9.085 7.741 1.00 1.00 H new ATOM 0 HA ALA A 27 -1.110 -6.729 6.125 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -3.035 -6.024 7.555 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -3.253 -7.683 6.950 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.733 -7.410 8.630 1.00 1.00 H new ATOM 421 N ASP A 28 -0.304 -6.476 9.329 1.00 1.00 N ATOM 422 CA ASP A 28 0.440 -5.659 10.279 1.00 1.00 C ATOM 423 C ASP A 28 1.942 -5.805 10.055 1.00 1.00 C ATOM 424 O ASP A 28 2.744 -5.502 10.938 1.00 1.00 O ATOM 425 CB ASP A 28 0.092 -6.071 11.712 1.00 1.00 C ATOM 426 CG ASP A 28 -1.349 -5.693 12.028 1.00 1.00 C ATOM 427 OD1 ASP A 28 -1.669 -4.519 11.927 1.00 1.00 O ATOM 428 OD2 ASP A 28 -2.113 -6.580 12.373 1.00 1.00 O ATOM 0 H ASP A 28 -0.753 -7.298 9.733 1.00 1.00 H new ATOM 0 HA ASP A 28 0.162 -4.616 10.124 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.230 -7.145 11.834 1.00 1.00 H new ATOM 0 HB3 ASP A 28 0.767 -5.582 12.414 1.00 1.00 H new ATOM 433 N SER A 29 2.312 -6.295 8.875 1.00 1.00 N ATOM 434 CA SER A 29 3.713 -6.493 8.552 1.00 1.00 C ATOM 435 C SER A 29 4.407 -5.163 8.287 1.00 1.00 C ATOM 436 O SER A 29 5.634 -5.099 8.206 1.00 1.00 O ATOM 437 CB SER A 29 3.847 -7.390 7.322 1.00 1.00 C ATOM 438 OG SER A 29 3.709 -6.600 6.148 1.00 1.00 O ATOM 0 H SER A 29 1.663 -6.559 8.134 1.00 1.00 H new ATOM 0 HA SER A 29 4.190 -6.971 9.407 1.00 1.00 H new ATOM 0 HB2 SER A 29 4.815 -7.890 7.326 1.00 1.00 H new ATOM 0 HB3 SER A 29 3.086 -8.170 7.341 1.00 1.00 H new ATOM 0 HG SER A 29 2.844 -6.788 5.727 1.00 1.00 H new ATOM 444 N GLU A 30 3.614 -4.110 8.143 1.00 1.00 N ATOM 445 CA GLU A 30 4.158 -2.784 7.885 1.00 1.00 C ATOM 446 C GLU A 30 4.946 -2.779 6.581 1.00 1.00 C ATOM 447 O GLU A 30 6.013 -3.387 6.487 1.00 1.00 O ATOM 448 CB GLU A 30 5.068 -2.358 9.036 1.00 1.00 C ATOM 449 CG GLU A 30 4.350 -2.575 10.367 1.00 1.00 C ATOM 450 CD GLU A 30 5.266 -2.200 11.524 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.381 -1.785 11.258 1.00 1.00 O ATOM 452 OE2 GLU A 30 4.839 -2.336 12.658 1.00 1.00 O ATOM 0 H GLU A 30 2.596 -4.148 8.200 1.00 1.00 H new ATOM 0 HA GLU A 30 3.330 -2.080 7.801 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.993 -2.933 9.013 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.342 -1.309 8.926 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.442 -1.972 10.402 1.00 1.00 H new ATOM 0 HG3 GLU A 30 4.044 -3.617 10.458 1.00 1.00 H new ATOM 600 N THR A 41 7.270 6.269 -1.884 1.00 1.00 N ATOM 601 CA THR A 41 5.867 6.610 -1.694 1.00 1.00 C ATOM 602 C THR A 41 5.182 6.843 -3.032 1.00 1.00 C ATOM 603 O THR A 41 4.057 6.405 -3.242 1.00 1.00 O ATOM 604 CB THR A 41 5.741 7.866 -0.828 1.00 1.00 C ATOM 605 OG1 THR A 41 6.507 7.701 0.358 1.00 1.00 O ATOM 606 CG2 THR A 41 4.271 8.104 -0.465 1.00 1.00 C ATOM 0 HA THR A 41 5.380 5.774 -1.192 1.00 1.00 H new ATOM 0 HB THR A 41 6.113 8.726 -1.385 1.00 1.00 H new ATOM 0 HG1 THR A 41 7.321 7.194 0.154 1.00 1.00 H new ATOM 0 HG21 THR A 41 4.189 8.999 0.151 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.688 8.236 -1.376 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.889 7.246 0.089 1.00 1.00 H new ATOM 614 N VAL A 42 5.868 7.546 -3.928 1.00 1.00 N ATOM 615 CA VAL A 42 5.319 7.842 -5.245 1.00 1.00 C ATOM 616 C VAL A 42 5.121 6.558 -6.045 1.00 1.00 C ATOM 617 O VAL A 42 4.134 6.389 -6.746 1.00 1.00 O ATOM 618 CB VAL A 42 6.256 8.779 -6.007 1.00 1.00 C ATOM 619 CG1 VAL A 42 5.708 9.016 -7.417 1.00 1.00 C ATOM 620 CG2 VAL A 42 6.355 10.114 -5.267 1.00 1.00 C ATOM 0 H VAL A 42 6.803 7.920 -3.766 1.00 1.00 H new ATOM 0 HA VAL A 42 4.352 8.327 -5.111 1.00 1.00 H new ATOM 0 HB VAL A 42 7.245 8.326 -6.074 1.00 1.00 H new ATOM 0 HG11 VAL A 42 6.377 9.684 -7.960 1.00 1.00 H new ATOM 0 HG12 VAL A 42 5.638 8.065 -7.945 1.00 1.00 H new ATOM 0 HG13 VAL A 42 4.718 9.468 -7.351 1.00 1.00 H new ATOM 0 HG21 VAL A 42 7.023 10.782 -5.810 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.366 10.566 -5.199 1.00 1.00 H new ATOM 0 HG23 VAL A 42 6.747 9.946 -4.264 1.00 1.00 H new ATOM 630 N GLU A 43 6.083 5.656 -5.951 1.00 1.00 N ATOM 631 CA GLU A 43 6.002 4.395 -6.678 1.00 1.00 C ATOM 632 C GLU A 43 4.961 3.477 -6.044 1.00 1.00 C ATOM 633 O GLU A 43 4.204 2.800 -6.741 1.00 1.00 O ATOM 634 CB GLU A 43 7.364 3.703 -6.670 1.00 1.00 C ATOM 635 CG GLU A 43 8.358 4.528 -7.488 1.00 1.00 C ATOM 636 CD GLU A 43 9.748 3.904 -7.405 1.00 1.00 C ATOM 637 OE1 GLU A 43 9.887 2.901 -6.724 1.00 1.00 O ATOM 638 OE2 GLU A 43 10.654 4.440 -8.023 1.00 1.00 O ATOM 0 H GLU A 43 6.924 5.769 -5.384 1.00 1.00 H new ATOM 0 HA GLU A 43 5.706 4.607 -7.705 1.00 1.00 H new ATOM 0 HB2 GLU A 43 7.722 3.592 -5.646 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.277 2.700 -7.087 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.034 4.577 -8.528 1.00 1.00 H new ATOM 0 HG3 GLU A 43 8.387 5.552 -7.115 1.00 1.00 H new ATOM 645 N ILE A 44 4.951 3.432 -4.717 1.00 1.00 N ATOM 646 CA ILE A 44 4.019 2.569 -4.009 1.00 1.00 C ATOM 647 C ILE A 44 2.578 3.004 -4.219 1.00 1.00 C ATOM 648 O ILE A 44 1.710 2.184 -4.520 1.00 1.00 O ATOM 649 CB ILE A 44 4.339 2.585 -2.505 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.689 1.886 -2.251 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.231 1.854 -1.728 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.483 0.373 -2.104 1.00 1.00 C ATOM 0 H ILE A 44 5.571 3.977 -4.117 1.00 1.00 H new ATOM 0 HA ILE A 44 4.131 1.561 -4.409 1.00 1.00 H new ATOM 0 HB ILE A 44 4.397 3.619 -2.166 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.373 2.089 -3.075 1.00 1.00 H new ATOM 0 HG13 ILE A 44 6.150 2.287 -1.348 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.463 1.869 -0.663 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.277 2.353 -1.898 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.166 0.821 -2.071 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.444 -0.109 -1.925 1.00 1.00 H new ATOM 0 HD12 ILE A 44 4.816 0.176 -1.264 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.042 -0.025 -3.018 1.00 1.00 H new ATOM 664 N VAL A 45 2.326 4.290 -4.030 1.00 1.00 N ATOM 665 CA VAL A 45 0.977 4.819 -4.169 1.00 1.00 C ATOM 666 C VAL A 45 0.455 4.597 -5.581 1.00 1.00 C ATOM 667 O VAL A 45 -0.691 4.189 -5.768 1.00 1.00 O ATOM 668 CB VAL A 45 0.971 6.317 -3.853 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.825 7.061 -4.878 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.463 6.844 -3.913 1.00 1.00 C ATOM 0 H VAL A 45 3.032 4.983 -3.782 1.00 1.00 H new ATOM 0 HA VAL A 45 0.328 4.294 -3.468 1.00 1.00 H new ATOM 0 HB VAL A 45 1.379 6.477 -2.855 1.00 1.00 H new ATOM 0 HG11 VAL A 45 1.819 8.127 -4.651 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.848 6.687 -4.839 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.418 6.900 -5.876 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.468 7.911 -3.688 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.869 6.682 -4.912 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.076 6.316 -3.182 1.00 1.00 H new ATOM 680 N MET A 46 1.295 4.874 -6.567 1.00 1.00 N ATOM 681 CA MET A 46 0.900 4.705 -7.952 1.00 1.00 C ATOM 682 C MET A 46 0.582 3.252 -8.259 1.00 1.00 C ATOM 683 O MET A 46 -0.369 2.963 -8.990 1.00 1.00 O ATOM 684 CB MET A 46 2.019 5.201 -8.881 1.00 1.00 C ATOM 685 CG MET A 46 2.037 6.739 -8.916 1.00 1.00 C ATOM 686 SD MET A 46 0.413 7.395 -9.397 1.00 1.00 S ATOM 687 CE MET A 46 0.277 6.514 -10.967 1.00 1.00 C ATOM 0 H MET A 46 2.247 5.214 -6.433 1.00 1.00 H new ATOM 0 HA MET A 46 -0.001 5.294 -8.121 1.00 1.00 H new ATOM 0 HB2 MET A 46 2.982 4.826 -8.534 1.00 1.00 H new ATOM 0 HB3 MET A 46 1.868 4.809 -9.887 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.314 7.126 -7.935 1.00 1.00 H new ATOM 0 HG3 MET A 46 2.795 7.082 -9.620 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.373 7.071 -11.642 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.266 6.414 -11.415 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.144 5.524 -10.793 1.00 1.00 H new ATOM 697 N ASN A 47 1.372 2.349 -7.704 1.00 1.00 N ATOM 698 CA ASN A 47 1.151 0.929 -7.931 1.00 1.00 C ATOM 699 C ASN A 47 -0.229 0.521 -7.422 1.00 1.00 C ATOM 700 O ASN A 47 -0.968 -0.174 -8.116 1.00 1.00 O ATOM 701 CB ASN A 47 2.237 0.123 -7.199 1.00 1.00 C ATOM 702 CG ASN A 47 3.488 0.009 -8.063 1.00 1.00 C ATOM 703 OD1 ASN A 47 3.521 -0.875 -9.020 1.00 1.00 O flip ATOM 704 ND2 ASN A 47 4.450 0.749 -7.866 1.00 1.00 N flip ATOM 0 H ASN A 47 2.164 2.569 -7.100 1.00 1.00 H new ATOM 0 HA ASN A 47 1.202 0.725 -9.000 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.483 0.607 -6.254 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.861 -0.872 -6.959 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.418 1.439 -7.115 1.00 1.00 H new ATOM 0 HD22 ASN A 47 5.280 0.673 -8.453 1.00 1.00 H new ATOM 711 N LEU A 48 -0.569 0.961 -6.217 1.00 1.00 N ATOM 712 CA LEU A 48 -1.872 0.640 -5.641 1.00 1.00 C ATOM 713 C LEU A 48 -2.975 1.384 -6.380 1.00 1.00 C ATOM 714 O LEU A 48 -3.987 0.799 -6.756 1.00 1.00 O ATOM 715 CB LEU A 48 -1.893 1.024 -4.158 1.00 1.00 C ATOM 716 CG LEU A 48 -0.710 0.352 -3.434 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.389 1.127 -2.159 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.083 -1.086 -3.078 1.00 1.00 C ATOM 0 H LEU A 48 0.031 1.535 -5.624 1.00 1.00 H new ATOM 0 HA LEU A 48 -2.044 -0.432 -5.739 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -1.830 2.107 -4.051 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.834 0.713 -3.705 1.00 1.00 H new ATOM 0 HG LEU A 48 0.163 0.349 -4.086 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.448 0.653 -1.646 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.124 2.153 -2.414 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.261 1.129 -1.505 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.247 -1.563 -2.566 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -1.956 -1.084 -2.425 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.313 -1.638 -3.989 1.00 1.00 H new ATOM 730 N GLU A 49 -2.756 2.675 -6.611 1.00 1.00 N ATOM 731 CA GLU A 49 -3.737 3.489 -7.318 1.00 1.00 C ATOM 732 C GLU A 49 -3.942 2.950 -8.730 1.00 1.00 C ATOM 733 O GLU A 49 -5.068 2.880 -9.223 1.00 1.00 O ATOM 734 CB GLU A 49 -3.258 4.940 -7.388 1.00 1.00 C ATOM 735 CG GLU A 49 -4.376 5.817 -7.957 1.00 1.00 C ATOM 736 CD GLU A 49 -3.915 7.268 -8.022 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.923 7.584 -7.383 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.558 8.044 -8.707 1.00 1.00 O ATOM 0 H GLU A 49 -1.916 3.176 -6.322 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.683 3.448 -6.778 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.976 5.290 -6.395 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.370 5.011 -8.015 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.652 5.469 -8.952 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.266 5.737 -7.333 1.00 1.00 H new ATOM 745 N GLU A 50 -2.845 2.556 -9.373 1.00 1.00 N ATOM 746 CA GLU A 50 -2.918 2.009 -10.724 1.00 1.00 C ATOM 747 C GLU A 50 -3.599 0.645 -10.709 1.00 1.00 C ATOM 748 O GLU A 50 -4.386 0.319 -11.600 1.00 1.00 O ATOM 749 CB GLU A 50 -1.514 1.877 -11.312 1.00 1.00 C ATOM 750 CG GLU A 50 -1.608 1.406 -12.765 1.00 1.00 C ATOM 751 CD GLU A 50 -0.217 1.332 -13.382 1.00 1.00 C ATOM 752 OE1 GLU A 50 0.700 1.874 -12.790 1.00 1.00 O ATOM 753 OE2 GLU A 50 -0.090 0.738 -14.440 1.00 1.00 O ATOM 0 H GLU A 50 -1.903 2.605 -8.984 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.504 2.689 -11.342 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.997 2.835 -11.262 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.929 1.168 -10.726 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -2.086 0.427 -12.808 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -2.233 2.091 -13.338 1.00 1.00 H new ATOM 760 N GLU A 51 -3.284 -0.160 -9.695 1.00 1.00 N ATOM 761 CA GLU A 51 -3.868 -1.490 -9.584 1.00 1.00 C ATOM 762 C GLU A 51 -5.364 -1.397 -9.306 1.00 1.00 C ATOM 763 O GLU A 51 -6.178 -1.958 -10.039 1.00 1.00 O ATOM 764 CB GLU A 51 -3.190 -2.260 -8.446 1.00 1.00 C ATOM 765 CG GLU A 51 -3.656 -3.719 -8.462 1.00 1.00 C ATOM 766 CD GLU A 51 -3.155 -4.437 -7.216 1.00 1.00 C ATOM 767 OE1 GLU A 51 -2.878 -3.761 -6.241 1.00 1.00 O ATOM 768 OE2 GLU A 51 -3.093 -5.657 -7.245 1.00 1.00 O ATOM 0 H GLU A 51 -2.634 0.085 -8.948 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.715 -2.014 -10.527 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -2.107 -2.213 -8.557 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.433 -1.801 -7.488 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -4.744 -3.762 -8.504 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -3.283 -4.219 -9.355 1.00 1.00 H new ATOM 775 N PHE A 52 -5.720 -0.692 -8.235 1.00 1.00 N ATOM 776 CA PHE A 52 -7.123 -0.545 -7.862 1.00 1.00 C ATOM 777 C PHE A 52 -7.822 0.439 -8.797 1.00 1.00 C ATOM 778 O PHE A 52 -9.037 0.622 -8.721 1.00 1.00 O ATOM 779 CB PHE A 52 -7.231 -0.052 -6.421 1.00 1.00 C ATOM 780 CG PHE A 52 -6.679 -1.098 -5.482 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.316 -2.338 -5.365 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.529 -0.827 -4.725 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.801 -3.307 -4.500 1.00 1.00 C ATOM 784 CE2 PHE A 52 -5.017 -1.794 -3.862 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.655 -3.028 -3.747 1.00 1.00 C ATOM 0 H PHE A 52 -5.063 -0.218 -7.616 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.609 -1.517 -7.947 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.681 0.882 -6.304 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.272 0.158 -6.175 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.205 -2.546 -5.942 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -5.040 0.132 -4.811 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.286 -4.268 -4.413 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.128 -1.588 -3.284 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.262 -3.774 -3.072 1.00 1.00 H new ATOM 795 N GLY A 53 -7.048 1.062 -9.678 1.00 1.00 N ATOM 796 CA GLY A 53 -7.605 2.020 -10.623 1.00 1.00 C ATOM 797 C GLY A 53 -8.428 3.077 -9.906 1.00 1.00 C ATOM 798 O GLY A 53 -9.544 3.390 -10.317 1.00 1.00 O ATOM 0 H GLY A 53 -6.041 0.922 -9.757 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.799 2.498 -11.180 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -8.229 1.499 -11.349 1.00 1.00 H new ATOM 802 N ILE A 54 -7.879 3.616 -8.821 1.00 1.00 N ATOM 803 CA ILE A 54 -8.577 4.638 -8.035 1.00 1.00 C ATOM 804 C ILE A 54 -7.824 5.953 -8.088 1.00 1.00 C ATOM 805 O ILE A 54 -6.919 6.126 -8.906 1.00 1.00 O ATOM 806 CB ILE A 54 -8.710 4.176 -6.581 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.341 3.726 -6.063 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.699 3.008 -6.501 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.492 3.056 -4.696 1.00 1.00 C ATOM 0 H ILE A 54 -6.957 3.366 -8.464 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.570 4.785 -8.459 1.00 1.00 H new ATOM 0 HB ILE A 54 -9.077 5.001 -5.970 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.886 3.031 -6.769 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.673 4.584 -5.985 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.792 2.681 -5.466 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.673 3.330 -6.869 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -9.336 2.181 -7.112 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.513 2.739 -4.336 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.927 3.764 -3.990 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -8.144 2.187 -4.787 1.00 1.00 H new ATOM 821 N ASN A 55 -8.201 6.883 -7.216 1.00 1.00 N ATOM 822 CA ASN A 55 -7.553 8.194 -7.165 1.00 1.00 C ATOM 823 C ASN A 55 -6.974 8.437 -5.783 1.00 1.00 C ATOM 824 O ASN A 55 -7.680 8.345 -4.777 1.00 1.00 O ATOM 825 CB ASN A 55 -8.561 9.291 -7.504 1.00 1.00 C ATOM 826 CG ASN A 55 -9.891 9.009 -6.815 1.00 1.00 C ATOM 827 OD1 ASN A 55 -10.912 8.839 -7.481 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.941 8.946 -5.513 1.00 1.00 N ATOM 0 H ASN A 55 -8.950 6.756 -6.535 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.746 8.214 -7.897 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -8.176 10.260 -7.187 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.705 9.343 -8.583 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.827 8.756 -5.045 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.094 9.087 -4.963 1.00 1.00 H new ATOM 835 N VAL A 56 -5.682 8.747 -5.732 1.00 1.00 N ATOM 836 CA VAL A 56 -5.008 9.000 -4.459 1.00 1.00 C ATOM 837 C VAL A 56 -4.284 10.336 -4.498 1.00 1.00 C ATOM 838 O VAL A 56 -3.989 10.865 -5.569 1.00 1.00 O ATOM 839 CB VAL A 56 -4.002 7.886 -4.174 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.332 8.139 -2.819 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.730 6.539 -4.139 1.00 1.00 C ATOM 0 H VAL A 56 -5.082 8.829 -6.552 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.758 9.026 -3.669 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.244 7.870 -4.957 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.614 7.345 -2.614 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.815 9.098 -2.842 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.090 8.154 -2.036 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -4.013 5.743 -3.936 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.487 6.555 -3.355 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.209 6.359 -5.102 1.00 1.00 H new ATOM 851 N ASP A 57 -3.999 10.885 -3.318 1.00 1.00 N ATOM 852 CA ASP A 57 -3.303 12.169 -3.218 1.00 1.00 C ATOM 853 C ASP A 57 -2.114 12.060 -2.273 1.00 1.00 C ATOM 854 O ASP A 57 -1.991 11.097 -1.519 1.00 1.00 O ATOM 855 CB ASP A 57 -4.267 13.241 -2.710 1.00 1.00 C ATOM 856 CG ASP A 57 -5.282 13.587 -3.794 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.076 13.177 -4.925 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.249 14.262 -3.481 1.00 1.00 O ATOM 0 H ASP A 57 -4.238 10.463 -2.420 1.00 1.00 H new ATOM 0 HA ASP A 57 -2.939 12.446 -4.208 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -4.783 12.885 -1.818 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -3.712 14.134 -2.422 1.00 1.00 H new ATOM 863 N GLU A 58 -1.238 13.057 -2.321 1.00 1.00 N ATOM 864 CA GLU A 58 -0.057 13.065 -1.466 1.00 1.00 C ATOM 865 C GLU A 58 -0.458 13.182 -0.002 1.00 1.00 C ATOM 866 O GLU A 58 0.193 12.618 0.875 1.00 1.00 O ATOM 867 CB GLU A 58 0.850 14.238 -1.842 1.00 1.00 C ATOM 868 CG GLU A 58 1.357 14.069 -3.282 1.00 1.00 C ATOM 869 CD GLU A 58 0.290 14.534 -4.271 1.00 1.00 C ATOM 870 OE1 GLU A 58 -0.797 14.872 -3.829 1.00 1.00 O ATOM 871 OE2 GLU A 58 0.573 14.543 -5.454 1.00 1.00 O ATOM 0 H GLU A 58 -1.322 13.865 -2.938 1.00 1.00 H new ATOM 0 HA GLU A 58 0.480 12.128 -1.611 1.00 1.00 H new ATOM 0 HB2 GLU A 58 0.303 15.176 -1.748 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.694 14.291 -1.154 1.00 1.00 H new ATOM 0 HG2 GLU A 58 2.271 14.645 -3.424 1.00 1.00 H new ATOM 0 HG3 GLU A 58 1.606 13.024 -3.468 1.00 1.00 H new ATOM 878 N ASP A 59 -1.535 13.914 0.254 1.00 1.00 N ATOM 879 CA ASP A 59 -2.015 14.097 1.618 1.00 1.00 C ATOM 880 C ASP A 59 -2.482 12.773 2.202 1.00 1.00 C ATOM 881 O ASP A 59 -2.471 12.579 3.415 1.00 1.00 O ATOM 882 CB ASP A 59 -3.173 15.093 1.633 1.00 1.00 C ATOM 883 CG ASP A 59 -2.652 16.503 1.355 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.449 16.697 1.445 1.00 1.00 O ATOM 885 OD2 ASP A 59 -3.460 17.368 1.059 1.00 1.00 O ATOM 0 H ASP A 59 -2.089 14.388 -0.459 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.194 14.481 2.223 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.913 14.815 0.882 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.675 15.066 2.600 1.00 1.00 H new ATOM 890 N LYS A 60 -2.912 11.866 1.335 1.00 1.00 N ATOM 891 CA LYS A 60 -3.386 10.564 1.775 1.00 1.00 C ATOM 892 C LYS A 60 -2.223 9.600 1.962 1.00 1.00 C ATOM 893 O LYS A 60 -2.282 8.695 2.791 1.00 1.00 O ATOM 894 CB LYS A 60 -4.361 9.994 0.750 1.00 1.00 C ATOM 895 CG LYS A 60 -5.229 8.905 1.417 1.00 1.00 C ATOM 896 CD LYS A 60 -5.698 7.914 0.359 1.00 1.00 C ATOM 897 CE LYS A 60 -4.652 6.805 0.177 1.00 1.00 C ATOM 898 NZ LYS A 60 -5.163 5.779 -0.768 1.00 1.00 N ATOM 0 H LYS A 60 -2.942 12.009 0.325 1.00 1.00 H new ATOM 0 HA LYS A 60 -3.892 10.689 2.732 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -4.995 10.788 0.354 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -3.814 9.572 -0.093 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -4.656 8.388 2.187 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -6.087 9.360 1.911 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.653 7.479 0.654 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -5.861 8.430 -0.587 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -3.722 7.229 -0.201 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -4.425 6.345 1.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -4.369 5.209 -1.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -5.841 5.161 -0.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -5.637 6.248 -1.566 1.00 1.00 H new ATOM 912 N ALA A 61 -1.177 9.782 1.164 1.00 1.00 N ATOM 913 CA ALA A 61 -0.006 8.905 1.228 1.00 1.00 C ATOM 914 C ALA A 61 1.175 9.636 1.836 1.00 1.00 C ATOM 915 O ALA A 61 2.264 9.642 1.274 1.00 1.00 O ATOM 916 CB ALA A 61 0.360 8.421 -0.178 1.00 1.00 C ATOM 0 H ALA A 61 -1.112 10.524 0.467 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.250 8.048 1.856 1.00 1.00 H new ATOM 0 HB1 ALA A 61 1.232 7.769 -0.123 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -0.479 7.870 -0.603 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.588 9.279 -0.810 1.00 1.00 H new ATOM 922 N GLN A 62 0.957 10.254 2.991 1.00 1.00 N ATOM 923 CA GLN A 62 2.022 10.987 3.683 1.00 1.00 C ATOM 924 C GLN A 62 2.315 10.355 5.035 1.00 1.00 C ATOM 925 O GLN A 62 3.440 10.419 5.529 1.00 1.00 O ATOM 926 CB GLN A 62 1.608 12.443 3.875 1.00 1.00 C ATOM 927 CG GLN A 62 0.321 12.504 4.696 1.00 1.00 C ATOM 928 CD GLN A 62 -0.186 13.941 4.766 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.342 14.820 4.084 1.00 1.00 O ATOM 930 NE2 GLN A 62 -1.189 14.235 5.550 1.00 1.00 N ATOM 0 H GLN A 62 0.057 10.265 3.471 1.00 1.00 H new ATOM 0 HA GLN A 62 2.925 10.943 3.074 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.401 12.994 4.381 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.457 12.920 2.907 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.438 11.864 4.246 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.503 12.125 5.701 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.626 13.506 6.114 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -1.535 15.193 5.598 1.00 1.00 H new ATOM 939 N ASP A 63 1.298 9.743 5.632 1.00 1.00 N ATOM 940 CA ASP A 63 1.459 9.103 6.936 1.00 1.00 C ATOM 941 C ASP A 63 0.470 7.958 7.099 1.00 1.00 C ATOM 942 O ASP A 63 -0.329 7.944 8.035 1.00 1.00 O ATOM 943 CB ASP A 63 1.241 10.129 8.048 1.00 1.00 C ATOM 944 CG ASP A 63 1.489 9.485 9.408 1.00 1.00 C ATOM 945 OD1 ASP A 63 2.006 8.380 9.433 1.00 1.00 O ATOM 946 OD2 ASP A 63 1.160 10.106 10.406 1.00 1.00 O ATOM 0 H ASP A 63 0.359 9.676 5.239 1.00 1.00 H new ATOM 0 HA ASP A 63 2.471 8.703 7.001 1.00 1.00 H new ATOM 0 HB2 ASP A 63 1.913 10.976 7.910 1.00 1.00 H new ATOM 0 HB3 ASP A 63 0.224 10.518 8.001 1.00 1.00 H new ATOM 951 N ILE A 64 0.535 6.990 6.190 1.00 1.00 N ATOM 952 CA ILE A 64 -0.350 5.829 6.249 1.00 1.00 C ATOM 953 C ILE A 64 0.264 4.723 7.084 1.00 1.00 C ATOM 954 O ILE A 64 1.406 4.328 6.864 1.00 1.00 O ATOM 955 CB ILE A 64 -0.629 5.314 4.832 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.362 6.396 4.029 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.496 4.058 4.905 1.00 1.00 C ATOM 958 CD1 ILE A 64 -2.709 6.739 4.697 1.00 1.00 C ATOM 0 H ILE A 64 1.188 6.985 5.406 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.286 6.135 6.716 1.00 1.00 H new ATOM 0 HB ILE A 64 0.315 5.074 4.342 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -0.743 7.291 3.963 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.532 6.049 3.010 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.693 3.693 3.897 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -0.974 3.288 5.474 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.440 4.295 5.396 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.218 7.508 4.116 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.332 5.845 4.740 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.531 7.106 5.708 1.00 1.00 H new ATOM 970 N SER A 65 -0.506 4.223 8.044 1.00 1.00 N ATOM 971 CA SER A 65 -0.028 3.150 8.913 1.00 1.00 C ATOM 972 C SER A 65 0.214 1.885 8.109 1.00 1.00 C ATOM 973 O SER A 65 0.147 1.909 6.888 1.00 1.00 O ATOM 974 CB SER A 65 -1.050 2.874 10.024 1.00 1.00 C ATOM 975 OG SER A 65 -1.736 1.661 9.745 1.00 1.00 O ATOM 0 H SER A 65 -1.456 4.539 8.241 1.00 1.00 H new ATOM 0 HA SER A 65 0.913 3.464 9.365 1.00 1.00 H new ATOM 0 HB2 SER A 65 -0.546 2.806 10.988 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.760 3.698 10.093 1.00 1.00 H new ATOM 0 HG SER A 65 -2.269 1.400 10.525 1.00 1.00 H new ATOM 981 N THR A 66 0.501 0.792 8.807 1.00 1.00 N ATOM 982 CA THR A 66 0.756 -0.485 8.151 1.00 1.00 C ATOM 983 C THR A 66 -0.284 -0.761 7.064 1.00 1.00 C ATOM 984 O THR A 66 -1.112 0.084 6.738 1.00 1.00 O ATOM 985 CB THR A 66 0.734 -1.617 9.184 1.00 1.00 C ATOM 986 OG1 THR A 66 1.295 -2.793 8.610 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.705 -1.901 9.615 1.00 1.00 C ATOM 0 H THR A 66 0.563 0.764 9.825 1.00 1.00 H new ATOM 0 HA THR A 66 1.739 -0.436 7.683 1.00 1.00 H new ATOM 0 HB THR A 66 1.318 -1.318 10.055 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.582 -3.442 8.431 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.713 -2.707 10.349 1.00 1.00 H new ATOM 0 HG22 THR A 66 -1.136 -1.003 10.057 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.293 -2.196 8.746 1.00 1.00 H new ATOM 995 N ILE A 67 -0.235 -1.955 6.503 1.00 1.00 N ATOM 996 CA ILE A 67 -1.161 -2.322 5.443 1.00 1.00 C ATOM 997 C ILE A 67 -2.602 -2.221 5.927 1.00 1.00 C ATOM 998 O ILE A 67 -3.476 -1.744 5.205 1.00 1.00 O ATOM 999 CB ILE A 67 -0.881 -3.744 4.971 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.502 -3.803 4.309 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.942 -4.171 3.955 1.00 1.00 C ATOM 1002 CD1 ILE A 67 0.970 -5.260 4.215 1.00 1.00 C ATOM 0 H ILE A 67 0.430 -2.684 6.760 1.00 1.00 H new ATOM 0 HA ILE A 67 -1.020 -1.630 4.613 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.907 -4.416 5.829 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.458 -3.360 3.314 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.217 -3.218 4.887 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.737 -5.188 3.621 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.927 -4.133 4.420 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.919 -3.496 3.099 1.00 1.00 H new ATOM 0 HD11 ILE A 67 1.952 -5.297 3.744 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.031 -5.688 5.216 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.260 -5.832 3.618 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.847 -2.691 7.144 1.00 1.00 N ATOM 1015 CA GLN A 68 -4.192 -2.651 7.710 1.00 1.00 C ATOM 1016 C GLN A 68 -4.882 -1.332 7.372 1.00 1.00 C ATOM 1017 O GLN A 68 -5.982 -1.325 6.818 1.00 1.00 O ATOM 1018 CB GLN A 68 -4.116 -2.815 9.235 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.931 -4.287 9.591 1.00 1.00 C ATOM 1020 CD GLN A 68 -5.253 -5.029 9.416 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.273 -6.181 8.804 1.00 1.00 O flip ATOM 1022 NE2 GLN A 68 -6.299 -4.549 9.856 1.00 1.00 N flip ATOM 0 H GLN A 68 -2.140 -3.101 7.754 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.772 -3.468 7.281 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.287 -2.229 9.631 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -5.026 -2.432 9.696 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -3.166 -4.732 8.954 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.583 -4.381 10.620 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -6.285 -3.648 10.335 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -7.179 -5.052 9.742 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.231 -0.216 7.701 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.795 1.092 7.419 1.00 1.00 C ATOM 1033 C GLN A 69 -4.798 1.362 5.922 1.00 1.00 C ATOM 1034 O GLN A 69 -5.776 1.869 5.376 1.00 1.00 O ATOM 1035 CB GLN A 69 -3.980 2.170 8.134 1.00 1.00 C ATOM 1036 CG GLN A 69 -4.627 3.525 7.914 1.00 1.00 C ATOM 1037 CD GLN A 69 -3.973 4.579 8.805 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -3.964 4.436 10.027 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -3.412 5.624 8.263 1.00 1.00 N ATOM 0 H GLN A 69 -3.320 -0.197 8.159 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.823 1.112 7.779 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.924 1.951 9.200 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -2.958 2.178 7.756 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -4.532 3.815 6.868 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -5.693 3.466 8.133 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -3.421 5.740 7.250 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -2.964 6.326 8.852 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.696 1.022 5.259 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.587 1.244 3.821 1.00 1.00 C ATOM 1050 C ALA A 70 -4.738 0.569 3.083 1.00 1.00 C ATOM 1051 O ALA A 70 -5.389 1.180 2.235 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.258 0.686 3.309 1.00 1.00 C ATOM 0 H ALA A 70 -2.875 0.596 5.689 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.631 2.317 3.634 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.182 0.855 2.235 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.433 1.189 3.814 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.210 -0.384 3.513 1.00 1.00 H new ATOM 1058 N ALA A 71 -4.982 -0.696 3.409 1.00 1.00 N ATOM 1059 CA ALA A 71 -6.056 -1.441 2.766 1.00 1.00 C ATOM 1060 C ALA A 71 -7.412 -0.832 3.098 1.00 1.00 C ATOM 1061 O ALA A 71 -8.280 -0.727 2.237 1.00 1.00 O ATOM 1062 CB ALA A 71 -6.028 -2.901 3.235 1.00 1.00 C ATOM 0 H ALA A 71 -4.456 -1.222 4.107 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.905 -1.396 1.687 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.833 -3.454 2.751 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.070 -3.350 2.971 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.161 -2.938 4.316 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.581 -0.417 4.348 1.00 1.00 N ATOM 1069 CA ASP A 72 -8.848 0.164 4.780 1.00 1.00 C ATOM 1070 C ASP A 72 -9.082 1.496 4.064 1.00 1.00 C ATOM 1071 O ASP A 72 -10.210 1.811 3.682 1.00 1.00 O ATOM 1072 CB ASP A 72 -8.815 0.398 6.302 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.232 -0.872 7.033 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.295 -1.384 6.729 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -8.473 -1.322 7.878 1.00 1.00 O ATOM 0 H ASP A 72 -6.866 -0.470 5.074 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.658 -0.522 4.533 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.812 0.693 6.611 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.484 1.217 6.567 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.019 2.274 3.902 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.129 3.565 3.239 1.00 1.00 C ATOM 1082 C VAL A 73 -8.524 3.386 1.777 1.00 1.00 C ATOM 1083 O VAL A 73 -9.358 4.123 1.254 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.798 4.315 3.332 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.844 5.560 2.439 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.549 4.741 4.786 1.00 1.00 C ATOM 0 H VAL A 73 -7.079 2.035 4.218 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.904 4.146 3.739 1.00 1.00 H new ATOM 0 HB VAL A 73 -5.992 3.660 3.000 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.895 6.092 2.507 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -7.019 5.260 1.406 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.651 6.214 2.768 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.601 5.275 4.851 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.357 5.394 5.117 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.512 3.857 5.423 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.904 2.416 1.122 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.186 2.160 -0.282 1.00 1.00 C ATOM 1098 C ILE A 74 -9.645 1.755 -0.463 1.00 1.00 C ATOM 1099 O ILE A 74 -10.307 2.198 -1.401 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.263 1.048 -0.809 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.870 1.628 -1.089 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.840 0.461 -2.106 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.849 0.491 -1.152 1.00 1.00 C ATOM 0 H ILE A 74 -7.207 1.797 1.537 1.00 1.00 H new ATOM 0 HA ILE A 74 -8.003 3.073 -0.848 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.189 0.260 -0.059 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.876 2.179 -2.030 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.595 2.336 -0.307 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.181 -0.326 -2.474 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.828 0.045 -1.909 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.921 1.247 -2.857 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.859 0.902 -1.351 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.837 -0.040 -0.200 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.122 -0.200 -1.950 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.130 0.902 0.428 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.510 0.438 0.346 1.00 1.00 C ATOM 1117 C GLU A 75 -12.453 1.614 0.133 1.00 1.00 C ATOM 1118 O GLU A 75 -13.343 1.556 -0.714 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.885 -0.304 1.633 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.320 -1.723 1.596 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.648 -2.444 2.897 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.248 -1.828 3.762 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.298 -3.603 3.005 1.00 1.00 O ATOM 0 H GLU A 75 -9.596 0.520 1.209 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.602 -0.241 -0.501 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.494 0.230 2.499 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -12.969 -0.337 1.742 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.740 -2.269 0.751 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.240 -1.691 1.450 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.251 2.675 0.899 1.00 1.00 N ATOM 1131 CA GLY A 76 -13.094 3.860 0.785 1.00 1.00 C ATOM 1132 C GLY A 76 -12.939 4.503 -0.588 1.00 1.00 C ATOM 1133 O GLY A 76 -13.911 4.967 -1.183 1.00 1.00 O ATOM 0 H GLY A 76 -11.516 2.742 1.603 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.137 3.587 0.949 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.827 4.578 1.560 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.709 4.531 -1.087 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.438 5.115 -2.394 1.00 1.00 C ATOM 1139 C LEU A 77 -12.129 4.329 -3.496 1.00 1.00 C ATOM 1140 O LEU A 77 -12.637 4.907 -4.457 1.00 1.00 O ATOM 1141 CB LEU A 77 -9.926 5.145 -2.645 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.289 6.303 -1.862 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.774 6.107 -1.811 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.618 7.646 -2.550 1.00 1.00 C ATOM 0 H LEU A 77 -10.888 4.158 -0.610 1.00 1.00 H new ATOM 0 HA LEU A 77 -11.829 6.132 -2.403 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.479 4.199 -2.340 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.728 5.262 -3.710 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.689 6.317 -0.848 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.319 6.928 -1.256 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.546 5.163 -1.316 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.375 6.090 -2.825 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.163 8.463 -1.990 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.225 7.640 -3.566 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -10.699 7.784 -2.580 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.140 3.017 -3.353 1.00 1.00 N ATOM 1157 CA LEU A 78 -12.767 2.160 -4.347 1.00 1.00 C ATOM 1158 C LEU A 78 -14.244 2.490 -4.480 1.00 1.00 C ATOM 1159 O LEU A 78 -14.797 2.460 -5.581 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.597 0.686 -3.944 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.211 0.181 -4.375 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.843 -1.067 -3.572 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -11.228 -0.168 -5.873 1.00 1.00 C ATOM 0 H LEU A 78 -11.725 2.522 -2.564 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.284 2.331 -5.309 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.713 0.579 -2.865 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.375 0.081 -4.410 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.475 0.963 -4.191 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.860 -1.422 -3.881 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.824 -0.824 -2.510 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.583 -1.847 -3.752 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -10.243 -0.526 -6.174 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.969 -0.946 -6.057 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.484 0.720 -6.451 1.00 1.00 H new ATOM 1175 N GLU A 79 -14.880 2.791 -3.356 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.296 3.118 -3.370 1.00 1.00 C ATOM 1177 C GLU A 79 -16.523 4.446 -4.086 1.00 1.00 C ATOM 1178 O GLU A 79 -17.269 4.515 -5.062 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.816 3.208 -1.931 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.641 1.855 -1.242 1.00 1.00 C ATOM 1181 CD GLU A 79 -17.537 0.811 -1.901 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -18.486 1.203 -2.557 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -17.260 -0.367 -1.737 1.00 1.00 O ATOM 0 H GLU A 79 -14.443 2.815 -2.435 1.00 1.00 H new ATOM 0 HA GLU A 79 -16.836 2.335 -3.903 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.274 3.980 -1.384 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -17.867 3.496 -1.930 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -15.599 1.540 -1.301 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -16.888 1.942 -0.184 1.00 1.00 H new