USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 803 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 79 THR OG1 : rot 120:sc= -0.789 USER MOD Set 1.2: A 80 ASN : amide:sc= -0.172 X(o=-0.96,f=-0.86) USER MOD Set 2.1: A 72 HIS : no HD1:sc= -3.71! C(o=-8.3!,f=-8.1!) USER MOD Set 2.2: A 76 ASN : amide:sc= -4.59! C(o=-8.3!,f=-14!) USER MOD Set 3.1: A 59 MET CE :methyl 167:sc= 0 (180deg=-0.261) USER MOD Set 3.2: A 62 MET CE :methyl -136:sc= -0.689 (180deg=-1.43) USER MOD Set 4.1: A 17 ASN : amide:sc= -3.23! X(o=-2.2!,f=-1.7) USER MOD Set 4.2: A 20 THR OG1 : rot 121:sc= 1.06 USER MOD Single : A 1 LEU N :NH3+ -129:sc= -3.53! (180deg=-6.54!) USER MOD Single : A 2 LYS NZ :NH3+ 149:sc= -0.275 (180deg=-1.47!) USER MOD Single : A 14 ASN : amide:sc= -0.488 X(o=-0.49,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -5.35! C(o=-5.3!,f=-11!) USER MOD Single : A 28 ASN : amide:sc= -10.2! C(o=-10!,f=-3.2!) USER MOD Single : A 29 SER OG : rot -65:sc= 1.04 USER MOD Single : A 36 GLN : amide:sc= -2.84! K(o=-2.8!,f=-0.42) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -107:sc= -3.05! (180deg=-5.63!) USER MOD Single : A 50 TYR OH : rot -122:sc= 0.748 USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.252) USER MOD Single : A 54 ASN : amide:sc= -2.45! K(o=-2.4!,f=-1.3) USER MOD Single : A 69 MET CE :methyl -171:sc= 0 (180deg=-0.0946) USER MOD Single : A 74 MET CE :methyl 171:sc= -0.0176 (180deg=-0.113) USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.486) USER MOD Single : A 81 GLN : amide:sc= -2.96! K(o=-3!,f=-0.33) USER MOD Single : A 86 THR OG1 : rot 170:sc= -0.467 USER MOD Single : A 93 SER OG : rot 124:sc= 0.435 USER MOD Single : A 94 THR OG1 : rot -47:sc= 0.747 USER MOD Single : A 95 GLN : amide:sc= -0.494 K(o=-0.49,f=-3.4!) USER MOD Single : A 97 LYS NZ :NH3+ 147:sc= -0.219 (180deg=-1.35!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 27.979 24.150 -11.812 1.00 0.00 N ATOM 2 CA LEU A 1 27.393 25.508 -11.999 1.00 0.00 C ATOM 3 C LEU A 1 25.931 25.374 -12.438 1.00 0.00 C ATOM 4 O LEU A 1 25.643 25.072 -13.579 1.00 0.00 O ATOM 5 CB LEU A 1 28.187 26.263 -13.074 1.00 0.00 C ATOM 6 CG LEU A 1 29.475 26.828 -12.469 1.00 0.00 C ATOM 7 CD1 LEU A 1 30.300 25.693 -11.861 1.00 0.00 C ATOM 8 CD2 LEU A 1 30.289 27.519 -13.565 1.00 0.00 C ATOM 0 H1 LEU A 1 28.435 24.094 -10.879 1.00 0.00 H new ATOM 0 H2 LEU A 1 27.226 23.435 -11.873 1.00 0.00 H new ATOM 0 H3 LEU A 1 28.686 23.972 -12.554 1.00 0.00 H new ATOM 0 HA LEU A 1 27.441 26.060 -11.060 1.00 0.00 H new ATOM 0 HB2 LEU A 1 28.426 25.593 -13.900 1.00 0.00 H new ATOM 0 HB3 LEU A 1 27.582 27.072 -13.484 1.00 0.00 H new ATOM 0 HG LEU A 1 29.224 27.548 -11.690 1.00 0.00 H new ATOM 0 HD11 LEU A 1 31.216 26.099 -11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 1 29.721 25.200 -11.081 1.00 0.00 H new ATOM 0 HD13 LEU A 1 30.552 24.970 -12.637 1.00 0.00 H new ATOM 0 HD21 LEU A 1 31.207 27.922 -13.137 1.00 0.00 H new ATOM 0 HD22 LEU A 1 30.538 26.797 -14.343 1.00 0.00 H new ATOM 0 HD23 LEU A 1 29.703 28.330 -13.997 1.00 0.00 H new ATOM 20 N LYS A 2 25.010 25.588 -11.537 1.00 0.00 N ATOM 21 CA LYS A 2 23.566 25.470 -11.893 1.00 0.00 C ATOM 22 C LYS A 2 23.300 24.099 -12.516 1.00 0.00 C ATOM 23 O LYS A 2 22.919 23.990 -13.664 1.00 0.00 O ATOM 24 CB LYS A 2 23.183 26.570 -12.889 1.00 0.00 C ATOM 25 CG LYS A 2 23.414 27.943 -12.247 1.00 0.00 C ATOM 26 CD LYS A 2 23.036 29.062 -13.237 1.00 0.00 C ATOM 27 CE LYS A 2 21.530 29.340 -13.172 1.00 0.00 C ATOM 28 NZ LYS A 2 21.151 29.717 -11.781 1.00 0.00 N ATOM 0 H LYS A 2 25.196 25.840 -10.566 1.00 0.00 H new ATOM 0 HA LYS A 2 22.966 25.580 -10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.778 26.476 -13.797 1.00 0.00 H new ATOM 0 HB3 LYS A 2 22.138 26.464 -13.180 1.00 0.00 H new ATOM 0 HG2 LYS A 2 22.817 28.033 -11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.459 28.044 -11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 2 23.591 29.970 -13.000 1.00 0.00 H new ATOM 0 HD3 LYS A 2 23.316 28.772 -14.250 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.268 30.143 -13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.973 28.457 -13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 20.347 30.377 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.882 28.864 -11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.959 30.174 -11.313 1.00 0.00 H new ATOM 42 N GLU A 3 23.493 23.051 -11.761 1.00 0.00 N ATOM 43 CA GLU A 3 23.247 21.685 -12.304 1.00 0.00 C ATOM 44 C GLU A 3 21.740 21.480 -12.478 1.00 0.00 C ATOM 45 O GLU A 3 21.118 20.722 -11.759 1.00 0.00 O ATOM 46 CB GLU A 3 23.803 20.639 -11.332 1.00 0.00 C ATOM 47 CG GLU A 3 23.441 21.026 -9.896 1.00 0.00 C ATOM 48 CD GLU A 3 23.768 19.864 -8.956 1.00 0.00 C ATOM 49 OE1 GLU A 3 24.733 19.167 -9.222 1.00 0.00 O ATOM 50 OE2 GLU A 3 23.050 19.694 -7.985 1.00 0.00 O ATOM 0 H GLU A 3 23.810 23.082 -10.792 1.00 0.00 H new ATOM 0 HA GLU A 3 23.744 21.576 -13.268 1.00 0.00 H new ATOM 0 HB2 GLU A 3 23.395 19.656 -11.568 1.00 0.00 H new ATOM 0 HB3 GLU A 3 24.886 20.569 -11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 3 23.995 21.916 -9.597 1.00 0.00 H new ATOM 0 HG3 GLU A 3 22.381 21.273 -9.831 1.00 0.00 H new ATOM 57 N VAL A 4 21.149 22.155 -13.425 1.00 0.00 N ATOM 58 CA VAL A 4 19.682 22.011 -13.648 1.00 0.00 C ATOM 59 C VAL A 4 19.381 20.642 -14.266 1.00 0.00 C ATOM 60 O VAL A 4 19.566 20.432 -15.448 1.00 0.00 O ATOM 61 CB VAL A 4 19.208 23.112 -14.598 1.00 0.00 C ATOM 62 CG1 VAL A 4 17.696 23.001 -14.800 1.00 0.00 C ATOM 63 CG2 VAL A 4 19.543 24.480 -14.000 1.00 0.00 C ATOM 0 H VAL A 4 21.620 22.803 -14.056 1.00 0.00 H new ATOM 0 HA VAL A 4 19.161 22.095 -12.694 1.00 0.00 H new ATOM 0 HB VAL A 4 19.710 23.001 -15.559 1.00 0.00 H new ATOM 0 HG11 VAL A 4 17.361 23.787 -15.477 1.00 0.00 H new ATOM 0 HG12 VAL A 4 17.456 22.027 -15.227 1.00 0.00 H new ATOM 0 HG13 VAL A 4 17.192 23.110 -13.840 1.00 0.00 H new ATOM 0 HG21 VAL A 4 19.206 25.265 -14.676 1.00 0.00 H new ATOM 0 HG22 VAL A 4 19.042 24.589 -13.038 1.00 0.00 H new ATOM 0 HG23 VAL A 4 20.621 24.561 -13.859 1.00 0.00 H new ATOM 73 N TRP A 5 18.911 19.710 -13.478 1.00 0.00 N ATOM 74 CA TRP A 5 18.590 18.356 -14.024 1.00 0.00 C ATOM 75 C TRP A 5 17.129 18.319 -14.477 1.00 0.00 C ATOM 76 O TRP A 5 16.238 18.019 -13.708 1.00 0.00 O ATOM 77 CB TRP A 5 18.804 17.292 -12.945 1.00 0.00 C ATOM 78 CG TRP A 5 20.245 17.240 -12.541 1.00 0.00 C ATOM 79 CD1 TRP A 5 21.297 17.136 -13.390 1.00 0.00 C ATOM 80 CD2 TRP A 5 20.810 17.275 -11.198 1.00 0.00 C ATOM 81 NE1 TRP A 5 22.466 17.112 -12.653 1.00 0.00 N ATOM 82 CE2 TRP A 5 22.220 17.195 -11.296 1.00 0.00 C ATOM 83 CE3 TRP A 5 20.239 17.370 -9.915 1.00 0.00 C ATOM 84 CZ2 TRP A 5 23.034 17.208 -10.161 1.00 0.00 C ATOM 85 CZ3 TRP A 5 21.056 17.383 -8.772 1.00 0.00 C ATOM 86 CH2 TRP A 5 22.449 17.303 -8.896 1.00 0.00 C ATOM 0 H TRP A 5 18.735 19.827 -12.480 1.00 0.00 H new ATOM 0 HA TRP A 5 19.246 18.152 -14.870 1.00 0.00 H new ATOM 0 HB2 TRP A 5 18.184 17.516 -12.077 1.00 0.00 H new ATOM 0 HB3 TRP A 5 18.489 16.318 -13.319 1.00 0.00 H new ATOM 0 HD1 TRP A 5 21.232 17.081 -14.467 1.00 0.00 H new ATOM 0 HE1 TRP A 5 23.398 17.042 -13.062 1.00 0.00 H new ATOM 0 HE3 TRP A 5 19.166 17.433 -9.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 24.108 17.145 -10.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 20.607 17.455 -7.792 1.00 0.00 H new ATOM 0 HH2 TRP A 5 23.071 17.315 -8.013 1.00 0.00 H new ATOM 97 N GLU A 6 16.879 18.612 -15.723 1.00 0.00 N ATOM 98 CA GLU A 6 15.479 18.584 -16.236 1.00 0.00 C ATOM 99 C GLU A 6 14.588 19.497 -15.388 1.00 0.00 C ATOM 100 O GLU A 6 13.965 19.064 -14.440 1.00 0.00 O ATOM 101 CB GLU A 6 14.943 17.152 -16.172 1.00 0.00 C ATOM 102 CG GLU A 6 13.638 17.059 -16.966 1.00 0.00 C ATOM 103 CD GLU A 6 13.942 17.163 -18.462 1.00 0.00 C ATOM 104 OE1 GLU A 6 14.842 16.473 -18.913 1.00 0.00 O ATOM 105 OE2 GLU A 6 13.270 17.930 -19.131 1.00 0.00 O ATOM 0 H GLU A 6 17.586 18.871 -16.411 1.00 0.00 H new ATOM 0 HA GLU A 6 15.471 18.936 -17.267 1.00 0.00 H new ATOM 0 HB2 GLU A 6 15.679 16.459 -16.579 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.772 16.863 -15.135 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.136 16.116 -16.751 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.959 17.857 -16.666 1.00 0.00 H new ATOM 112 N GLU A 7 14.521 20.756 -15.730 1.00 0.00 N ATOM 113 CA GLU A 7 13.664 21.704 -14.956 1.00 0.00 C ATOM 114 C GLU A 7 14.009 21.621 -13.467 1.00 0.00 C ATOM 115 O GLU A 7 14.823 20.820 -13.051 1.00 0.00 O ATOM 116 CB GLU A 7 12.180 21.347 -15.146 1.00 0.00 C ATOM 117 CG GLU A 7 11.713 21.695 -16.566 1.00 0.00 C ATOM 118 CD GLU A 7 10.190 21.564 -16.643 1.00 0.00 C ATOM 119 OE1 GLU A 7 9.651 20.732 -15.933 1.00 0.00 O ATOM 120 OE2 GLU A 7 9.590 22.298 -17.411 1.00 0.00 O ATOM 0 H GLU A 7 15.024 21.171 -16.514 1.00 0.00 H new ATOM 0 HA GLU A 7 13.846 22.715 -15.320 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.030 20.284 -14.960 1.00 0.00 H new ATOM 0 HB3 GLU A 7 11.575 21.887 -14.417 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.016 22.710 -16.822 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.184 21.030 -17.290 1.00 0.00 H new ATOM 127 N LEU A 8 13.402 22.462 -12.669 1.00 0.00 N ATOM 128 CA LEU A 8 13.692 22.459 -11.197 1.00 0.00 C ATOM 129 C LEU A 8 15.177 22.761 -10.994 1.00 0.00 C ATOM 130 O LEU A 8 15.982 22.559 -11.882 1.00 0.00 O ATOM 131 CB LEU A 8 13.360 21.084 -10.596 1.00 0.00 C ATOM 132 CG LEU A 8 11.987 20.607 -11.101 1.00 0.00 C ATOM 133 CD1 LEU A 8 11.680 19.209 -10.543 1.00 0.00 C ATOM 134 CD2 LEU A 8 10.892 21.583 -10.639 1.00 0.00 C ATOM 0 H LEU A 8 12.716 23.154 -12.971 1.00 0.00 H new ATOM 0 HA LEU A 8 13.082 23.214 -10.701 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.129 20.362 -10.871 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.355 21.145 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 8 12.008 20.569 -12.190 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.706 18.878 -10.905 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.447 18.509 -10.874 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.668 19.247 -9.454 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.923 21.239 -11.000 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.879 21.626 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.097 22.576 -11.039 1.00 0.00 H new ATOM 146 N ASP A 9 15.560 23.239 -9.841 1.00 0.00 N ATOM 147 CA ASP A 9 16.999 23.542 -9.611 1.00 0.00 C ATOM 148 C ASP A 9 17.770 22.233 -9.438 1.00 0.00 C ATOM 149 O ASP A 9 18.954 22.159 -9.703 1.00 0.00 O ATOM 150 CB ASP A 9 17.145 24.392 -8.346 1.00 0.00 C ATOM 151 CG ASP A 9 16.450 23.692 -7.177 1.00 0.00 C ATOM 152 OD1 ASP A 9 17.075 22.841 -6.566 1.00 0.00 O ATOM 153 OD2 ASP A 9 15.305 24.018 -6.912 1.00 0.00 O ATOM 0 H ASP A 9 14.942 23.432 -9.053 1.00 0.00 H new ATOM 0 HA ASP A 9 17.398 24.090 -10.464 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.200 24.544 -8.117 1.00 0.00 H new ATOM 0 HB3 ASP A 9 16.708 25.378 -8.505 1.00 0.00 H new ATOM 158 N GLY A 10 17.109 21.197 -8.999 1.00 0.00 N ATOM 159 CA GLY A 10 17.807 19.894 -8.814 1.00 0.00 C ATOM 160 C GLY A 10 16.835 18.862 -8.240 1.00 0.00 C ATOM 161 O GLY A 10 16.391 17.965 -8.928 1.00 0.00 O ATOM 0 H GLY A 10 16.117 21.197 -8.761 1.00 0.00 H new ATOM 0 HA2 GLY A 10 18.202 19.544 -9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.657 20.019 -8.143 1.00 0.00 H new ATOM 165 N LEU A 11 16.508 18.983 -6.976 1.00 0.00 N ATOM 166 CA LEU A 11 15.567 18.010 -6.331 1.00 0.00 C ATOM 167 C LEU A 11 14.499 18.767 -5.538 1.00 0.00 C ATOM 168 O LEU A 11 14.769 19.337 -4.500 1.00 0.00 O ATOM 169 CB LEU A 11 16.345 17.101 -5.372 1.00 0.00 C ATOM 170 CG LEU A 11 17.519 16.439 -6.105 1.00 0.00 C ATOM 171 CD1 LEU A 11 18.447 15.783 -5.078 1.00 0.00 C ATOM 172 CD2 LEU A 11 17.002 15.366 -7.074 1.00 0.00 C ATOM 0 H LEU A 11 16.854 19.718 -6.359 1.00 0.00 H new ATOM 0 HA LEU A 11 15.091 17.411 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.715 17.683 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.683 16.336 -4.966 1.00 0.00 H new ATOM 0 HG LEU A 11 18.060 17.198 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.284 15.311 -5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 11 18.825 16.541 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 11 17.894 15.029 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 11 17.845 14.904 -7.588 1.00 0.00 H new ATOM 0 HD22 LEU A 11 16.455 14.605 -6.517 1.00 0.00 H new ATOM 0 HD23 LEU A 11 16.339 15.826 -7.806 1.00 0.00 H new ATOM 184 N ASP A 12 13.281 18.765 -6.015 1.00 0.00 N ATOM 185 CA ASP A 12 12.185 19.469 -5.285 1.00 0.00 C ATOM 186 C ASP A 12 11.522 18.473 -4.308 1.00 0.00 C ATOM 187 O ASP A 12 11.462 17.296 -4.605 1.00 0.00 O ATOM 188 CB ASP A 12 11.140 19.964 -6.295 1.00 0.00 C ATOM 189 CG ASP A 12 10.619 18.776 -7.107 1.00 0.00 C ATOM 190 OD1 ASP A 12 11.421 17.929 -7.463 1.00 0.00 O ATOM 191 OD2 ASP A 12 9.426 18.734 -7.360 1.00 0.00 O ATOM 0 H ASP A 12 12.998 18.305 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 12 12.588 20.319 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.316 20.452 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.582 20.707 -6.959 1.00 0.00 H new ATOM 196 N PRO A 13 11.041 18.947 -3.166 1.00 0.00 N ATOM 197 CA PRO A 13 10.397 18.058 -2.174 1.00 0.00 C ATOM 198 C PRO A 13 9.152 17.387 -2.777 1.00 0.00 C ATOM 199 O PRO A 13 8.777 16.300 -2.386 1.00 0.00 O ATOM 200 CB PRO A 13 10.008 18.986 -0.998 1.00 0.00 C ATOM 201 CG PRO A 13 10.284 20.447 -1.452 1.00 0.00 C ATOM 202 CD PRO A 13 11.092 20.374 -2.764 1.00 0.00 C ATOM 0 HA PRO A 13 11.057 17.252 -1.854 1.00 0.00 H new ATOM 0 HB2 PRO A 13 8.958 18.856 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 13 10.589 18.744 -0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.349 20.985 -1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 13 10.841 20.989 -0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 13 10.659 21.016 -3.531 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.119 20.706 -2.614 1.00 0.00 H new ATOM 210 N ASN A 14 8.500 18.027 -3.709 1.00 0.00 N ATOM 211 CA ASN A 14 7.276 17.421 -4.304 1.00 0.00 C ATOM 212 C ASN A 14 7.653 16.235 -5.197 1.00 0.00 C ATOM 213 O ASN A 14 6.998 15.960 -6.183 1.00 0.00 O ATOM 214 CB ASN A 14 6.540 18.473 -5.137 1.00 0.00 C ATOM 215 CG ASN A 14 6.153 19.652 -4.243 1.00 0.00 C ATOM 216 OD1 ASN A 14 6.278 20.796 -4.638 1.00 0.00 O ATOM 217 ND2 ASN A 14 5.685 19.423 -3.048 1.00 0.00 N ATOM 0 H ASN A 14 8.761 18.940 -4.083 1.00 0.00 H new ATOM 0 HA ASN A 14 6.629 17.068 -3.501 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.175 18.815 -5.954 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.649 18.037 -5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.424 20.203 -2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.580 18.464 -2.717 1.00 0.00 H new ATOM 224 N ARG A 15 8.694 15.525 -4.861 1.00 0.00 N ATOM 225 CA ARG A 15 9.090 14.357 -5.697 1.00 0.00 C ATOM 226 C ARG A 15 7.935 13.352 -5.731 1.00 0.00 C ATOM 227 O ARG A 15 6.933 13.525 -5.067 1.00 0.00 O ATOM 228 CB ARG A 15 10.334 13.692 -5.101 1.00 0.00 C ATOM 229 CG ARG A 15 9.987 13.055 -3.750 1.00 0.00 C ATOM 230 CD ARG A 15 11.273 12.743 -2.980 1.00 0.00 C ATOM 231 NE ARG A 15 12.286 12.129 -3.902 1.00 0.00 N ATOM 232 CZ ARG A 15 12.023 11.047 -4.587 1.00 0.00 C ATOM 233 NH1 ARG A 15 10.936 10.364 -4.357 1.00 0.00 N ATOM 234 NH2 ARG A 15 12.882 10.616 -5.471 1.00 0.00 N ATOM 0 H ARG A 15 9.285 15.701 -4.048 1.00 0.00 H new ATOM 0 HA ARG A 15 9.316 14.691 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 15 10.714 12.933 -5.784 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.126 14.430 -4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.359 13.731 -3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.414 12.141 -3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.675 13.656 -2.541 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.058 12.062 -2.157 1.00 0.00 H new ATOM 0 HE ARG A 15 13.202 12.567 -3.996 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.282 10.673 -3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.740 9.521 -4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.754 11.123 -5.625 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.681 9.772 -6.008 1.00 0.00 H new ATOM 248 N PHE A 16 8.061 12.305 -6.500 1.00 0.00 N ATOM 249 CA PHE A 16 6.962 11.300 -6.567 1.00 0.00 C ATOM 250 C PHE A 16 7.434 10.065 -7.336 1.00 0.00 C ATOM 251 O PHE A 16 8.155 10.166 -8.310 1.00 0.00 O ATOM 252 CB PHE A 16 5.756 11.914 -7.282 1.00 0.00 C ATOM 253 CG PHE A 16 6.162 12.349 -8.669 1.00 0.00 C ATOM 254 CD1 PHE A 16 6.090 11.444 -9.737 1.00 0.00 C ATOM 255 CD2 PHE A 16 6.611 13.657 -8.890 1.00 0.00 C ATOM 256 CE1 PHE A 16 6.466 11.848 -11.023 1.00 0.00 C ATOM 257 CE2 PHE A 16 6.987 14.060 -10.176 1.00 0.00 C ATOM 258 CZ PHE A 16 6.914 13.157 -11.243 1.00 0.00 C ATOM 0 H PHE A 16 8.874 12.102 -7.082 1.00 0.00 H new ATOM 0 HA PHE A 16 6.680 11.007 -5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.945 11.188 -7.340 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.380 12.767 -6.717 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.744 10.435 -9.567 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.667 14.355 -8.068 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.411 11.151 -11.846 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.334 15.069 -10.346 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.203 13.469 -12.236 1.00 0.00 H new ATOM 268 N ASN A 17 7.029 8.900 -6.911 1.00 0.00 N ATOM 269 CA ASN A 17 7.448 7.659 -7.620 1.00 0.00 C ATOM 270 C ASN A 17 6.651 6.455 -7.087 1.00 0.00 C ATOM 271 O ASN A 17 7.224 5.564 -6.493 1.00 0.00 O ATOM 272 CB ASN A 17 8.942 7.421 -7.378 1.00 0.00 C ATOM 273 CG ASN A 17 9.402 6.199 -8.174 1.00 0.00 C ATOM 274 OD1 ASN A 17 10.524 5.755 -8.035 1.00 0.00 O ATOM 275 ND2 ASN A 17 8.575 5.632 -9.010 1.00 0.00 N ATOM 0 H ASN A 17 6.425 8.754 -6.102 1.00 0.00 H new ATOM 0 HA ASN A 17 7.256 7.773 -8.687 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.514 8.299 -7.678 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.129 7.267 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.871 4.816 -9.546 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.633 6.005 -9.127 1.00 0.00 H new ATOM 282 N PRO A 18 5.351 6.454 -7.309 1.00 0.00 N ATOM 283 CA PRO A 18 4.489 5.351 -6.840 1.00 0.00 C ATOM 284 C PRO A 18 4.863 4.052 -7.575 1.00 0.00 C ATOM 285 O PRO A 18 4.600 2.961 -7.109 1.00 0.00 O ATOM 286 CB PRO A 18 3.047 5.799 -7.183 1.00 0.00 C ATOM 287 CG PRO A 18 3.152 7.123 -7.998 1.00 0.00 C ATOM 288 CD PRO A 18 4.641 7.535 -8.030 1.00 0.00 C ATOM 0 HA PRO A 18 4.598 5.150 -5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.534 5.031 -7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.466 5.953 -6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.772 6.981 -9.010 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.548 7.905 -7.538 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.003 7.631 -9.054 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.795 8.500 -7.546 1.00 0.00 H new ATOM 296 N LYS A 19 5.472 4.171 -8.722 1.00 0.00 N ATOM 297 CA LYS A 19 5.865 2.964 -9.503 1.00 0.00 C ATOM 298 C LYS A 19 6.754 2.035 -8.668 1.00 0.00 C ATOM 299 O LYS A 19 6.685 0.828 -8.794 1.00 0.00 O ATOM 300 CB LYS A 19 6.648 3.407 -10.741 1.00 0.00 C ATOM 301 CG LYS A 19 6.968 2.184 -11.603 1.00 0.00 C ATOM 302 CD LYS A 19 7.458 2.638 -12.978 1.00 0.00 C ATOM 303 CE LYS A 19 7.820 1.413 -13.819 1.00 0.00 C ATOM 304 NZ LYS A 19 8.322 1.853 -15.151 1.00 0.00 N ATOM 0 H LYS A 19 5.717 5.061 -9.156 1.00 0.00 H new ATOM 0 HA LYS A 19 4.961 2.425 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.066 4.128 -11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.570 3.907 -10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.730 1.574 -11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.081 1.560 -11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.684 3.220 -13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.326 3.288 -12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.581 0.821 -13.310 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.947 0.772 -13.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.568 1.019 -15.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.583 2.400 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.166 2.447 -15.025 1.00 0.00 H new ATOM 318 N THR A 20 7.609 2.571 -7.838 1.00 0.00 N ATOM 319 CA THR A 20 8.503 1.696 -7.041 1.00 0.00 C ATOM 320 C THR A 20 7.719 0.994 -5.929 1.00 0.00 C ATOM 321 O THR A 20 7.917 -0.175 -5.667 1.00 0.00 O ATOM 322 CB THR A 20 9.624 2.540 -6.435 1.00 0.00 C ATOM 323 OG1 THR A 20 10.415 3.097 -7.475 1.00 0.00 O ATOM 324 CG2 THR A 20 10.491 1.658 -5.548 1.00 0.00 C ATOM 0 H THR A 20 7.723 3.572 -7.681 1.00 0.00 H new ATOM 0 HA THR A 20 8.928 0.934 -7.694 1.00 0.00 H new ATOM 0 HB THR A 20 9.195 3.346 -5.840 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.397 4.075 -7.412 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.292 2.255 -5.113 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.881 1.233 -4.751 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.921 0.853 -6.144 1.00 0.00 H new ATOM 332 N PHE A 21 6.834 1.688 -5.269 1.00 0.00 N ATOM 333 CA PHE A 21 6.057 1.035 -4.177 1.00 0.00 C ATOM 334 C PHE A 21 5.345 -0.195 -4.764 1.00 0.00 C ATOM 335 O PHE A 21 5.187 -1.205 -4.109 1.00 0.00 O ATOM 336 CB PHE A 21 5.047 2.064 -3.584 1.00 0.00 C ATOM 337 CG PHE A 21 3.646 1.486 -3.497 1.00 0.00 C ATOM 338 CD1 PHE A 21 2.808 1.523 -4.618 1.00 0.00 C ATOM 339 CD2 PHE A 21 3.194 0.912 -2.303 1.00 0.00 C ATOM 340 CE1 PHE A 21 1.518 0.987 -4.547 1.00 0.00 C ATOM 341 CE2 PHE A 21 1.902 0.375 -2.231 1.00 0.00 C ATOM 342 CZ PHE A 21 1.064 0.412 -3.353 1.00 0.00 C ATOM 0 H PHE A 21 6.616 2.670 -5.436 1.00 0.00 H new ATOM 0 HA PHE A 21 6.708 0.706 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.378 2.368 -2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.034 2.960 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.158 1.966 -5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.840 0.883 -1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.872 1.016 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.552 -0.068 -1.310 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.068 -0.003 -3.297 1.00 0.00 H new ATOM 352 N PHE A 22 4.917 -0.110 -5.992 1.00 0.00 N ATOM 353 CA PHE A 22 4.219 -1.264 -6.622 1.00 0.00 C ATOM 354 C PHE A 22 5.213 -2.409 -6.856 1.00 0.00 C ATOM 355 O PHE A 22 4.871 -3.570 -6.739 1.00 0.00 O ATOM 356 CB PHE A 22 3.606 -0.822 -7.956 1.00 0.00 C ATOM 357 CG PHE A 22 2.700 -1.911 -8.478 1.00 0.00 C ATOM 358 CD1 PHE A 22 3.219 -2.917 -9.303 1.00 0.00 C ATOM 359 CD2 PHE A 22 1.343 -1.916 -8.138 1.00 0.00 C ATOM 360 CE1 PHE A 22 2.379 -3.928 -9.787 1.00 0.00 C ATOM 361 CE2 PHE A 22 0.503 -2.927 -8.622 1.00 0.00 C ATOM 362 CZ PHE A 22 1.022 -3.932 -9.447 1.00 0.00 C ATOM 0 H PHE A 22 5.021 0.711 -6.588 1.00 0.00 H new ATOM 0 HA PHE A 22 3.427 -1.614 -5.960 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.043 0.101 -7.822 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.394 -0.612 -8.679 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.267 -2.913 -9.566 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.943 -1.140 -7.502 1.00 0.00 H new ATOM 0 HE1 PHE A 22 2.779 -4.704 -10.423 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.544 -2.931 -8.359 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.374 -4.711 -9.821 1.00 0.00 H new ATOM 372 N ILE A 23 6.445 -2.102 -7.176 1.00 0.00 N ATOM 373 CA ILE A 23 7.435 -3.180 -7.407 1.00 0.00 C ATOM 374 C ILE A 23 7.754 -3.857 -6.074 1.00 0.00 C ATOM 375 O ILE A 23 7.557 -5.044 -5.906 1.00 0.00 O ATOM 376 CB ILE A 23 8.703 -2.573 -8.005 1.00 0.00 C ATOM 377 CG1 ILE A 23 8.383 -2.008 -9.393 1.00 0.00 C ATOM 378 CG2 ILE A 23 9.769 -3.658 -8.125 1.00 0.00 C ATOM 379 CD1 ILE A 23 9.583 -1.218 -9.923 1.00 0.00 C ATOM 0 H ILE A 23 6.801 -1.152 -7.285 1.00 0.00 H new ATOM 0 HA ILE A 23 7.033 -3.921 -8.098 1.00 0.00 H new ATOM 0 HB ILE A 23 9.071 -1.772 -7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.139 -2.820 -10.078 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.506 -1.362 -9.339 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.677 -3.231 -8.551 1.00 0.00 H new ATOM 0 HG22 ILE A 23 9.988 -4.064 -7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.405 -4.456 -8.772 1.00 0.00 H new ATOM 0 HD11 ILE A 23 9.349 -0.819 -10.910 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.806 -0.396 -9.243 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.449 -1.876 -9.994 1.00 0.00 H new ATOM 391 N LEU A 24 8.252 -3.111 -5.127 1.00 0.00 N ATOM 392 CA LEU A 24 8.590 -3.714 -3.802 1.00 0.00 C ATOM 393 C LEU A 24 7.459 -4.651 -3.323 1.00 0.00 C ATOM 394 O LEU A 24 7.722 -5.675 -2.724 1.00 0.00 O ATOM 395 CB LEU A 24 8.799 -2.586 -2.774 1.00 0.00 C ATOM 396 CG LEU A 24 9.698 -3.076 -1.614 1.00 0.00 C ATOM 397 CD1 LEU A 24 11.179 -2.913 -1.986 1.00 0.00 C ATOM 398 CD2 LEU A 24 9.415 -2.255 -0.349 1.00 0.00 C ATOM 0 H LEU A 24 8.440 -2.112 -5.211 1.00 0.00 H new ATOM 0 HA LEU A 24 9.503 -4.301 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.257 -1.724 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.836 -2.258 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 24 9.480 -4.128 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.802 -3.261 -1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.397 -3.500 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.391 -1.862 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.052 -2.606 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.623 -1.203 -0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.369 -2.372 -0.066 1.00 0.00 H new ATOM 410 N HIS A 25 6.210 -4.331 -3.576 1.00 0.00 N ATOM 411 CA HIS A 25 5.110 -5.231 -3.123 1.00 0.00 C ATOM 412 C HIS A 25 4.961 -6.393 -4.108 1.00 0.00 C ATOM 413 O HIS A 25 4.319 -7.383 -3.817 1.00 0.00 O ATOM 414 CB HIS A 25 3.797 -4.448 -3.058 1.00 0.00 C ATOM 415 CG HIS A 25 3.959 -3.268 -2.142 1.00 0.00 C ATOM 416 ND1 HIS A 25 5.205 -2.792 -1.762 1.00 0.00 N ATOM 417 CD2 HIS A 25 3.043 -2.457 -1.520 1.00 0.00 C ATOM 418 CE1 HIS A 25 5.005 -1.740 -0.947 1.00 0.00 C ATOM 419 NE2 HIS A 25 3.705 -1.493 -0.766 1.00 0.00 N ATOM 0 H HIS A 25 5.911 -3.492 -4.073 1.00 0.00 H new ATOM 0 HA HIS A 25 5.349 -5.620 -2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 25 3.513 -4.111 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 25 2.995 -5.093 -2.699 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.970 -2.553 -1.603 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.799 -1.165 -0.494 1.00 0.00 H new ATOM 0 HE2 HIS A 25 3.287 -0.756 -0.197 1.00 0.00 H new ATOM 427 N ASP A 26 5.554 -6.288 -5.268 1.00 0.00 N ATOM 428 CA ASP A 26 5.445 -7.399 -6.258 1.00 0.00 C ATOM 429 C ASP A 26 6.409 -8.524 -5.863 1.00 0.00 C ATOM 430 O ASP A 26 7.575 -8.511 -6.209 1.00 0.00 O ATOM 431 CB ASP A 26 5.801 -6.881 -7.649 1.00 0.00 C ATOM 432 CG ASP A 26 4.792 -5.812 -8.071 1.00 0.00 C ATOM 433 OD1 ASP A 26 3.721 -5.773 -7.488 1.00 0.00 O ATOM 434 OD2 ASP A 26 5.106 -5.050 -8.970 1.00 0.00 O ATOM 0 H ASP A 26 6.106 -5.486 -5.571 1.00 0.00 H new ATOM 0 HA ASP A 26 4.424 -7.781 -6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.808 -6.464 -7.646 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.798 -7.702 -8.366 1.00 0.00 H new ATOM 439 N ILE A 27 5.931 -9.484 -5.123 1.00 0.00 N ATOM 440 CA ILE A 27 6.791 -10.607 -4.668 1.00 0.00 C ATOM 441 C ILE A 27 7.017 -11.612 -5.807 1.00 0.00 C ATOM 442 O ILE A 27 8.138 -11.976 -6.105 1.00 0.00 O ATOM 443 CB ILE A 27 6.077 -11.283 -3.498 1.00 0.00 C ATOM 444 CG1 ILE A 27 5.817 -10.250 -2.397 1.00 0.00 C ATOM 445 CG2 ILE A 27 6.924 -12.411 -2.927 1.00 0.00 C ATOM 446 CD1 ILE A 27 4.925 -10.865 -1.316 1.00 0.00 C ATOM 0 H ILE A 27 4.962 -9.537 -4.809 1.00 0.00 H new ATOM 0 HA ILE A 27 7.769 -10.236 -4.361 1.00 0.00 H new ATOM 0 HB ILE A 27 5.136 -11.697 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.761 -9.923 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.338 -9.367 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.396 -12.878 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.110 -13.155 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.874 -12.010 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.741 -10.129 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.976 -11.170 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.422 -11.735 -0.886 1.00 0.00 H new ATOM 458 N ASN A 28 5.971 -12.075 -6.438 1.00 0.00 N ATOM 459 CA ASN A 28 6.140 -13.068 -7.548 1.00 0.00 C ATOM 460 C ASN A 28 6.340 -12.344 -8.879 1.00 0.00 C ATOM 461 O ASN A 28 6.567 -12.958 -9.902 1.00 0.00 O ATOM 462 CB ASN A 28 4.899 -13.950 -7.631 1.00 0.00 C ATOM 463 CG ASN A 28 3.645 -13.075 -7.539 1.00 0.00 C ATOM 464 OD1 ASN A 28 2.544 -13.583 -7.451 1.00 0.00 O ATOM 465 ND2 ASN A 28 3.762 -11.773 -7.555 1.00 0.00 N ATOM 0 H ASN A 28 5.007 -11.811 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 28 7.017 -13.683 -7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.898 -14.508 -8.567 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.905 -14.682 -6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.930 -11.185 -7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.685 -11.345 -7.629 1.00 0.00 H new ATOM 472 N SER A 29 6.274 -11.051 -8.872 1.00 0.00 N ATOM 473 CA SER A 29 6.480 -10.285 -10.134 1.00 0.00 C ATOM 474 C SER A 29 5.554 -10.808 -11.232 1.00 0.00 C ATOM 475 O SER A 29 5.992 -11.209 -12.293 1.00 0.00 O ATOM 476 CB SER A 29 7.934 -10.420 -10.576 1.00 0.00 C ATOM 477 OG SER A 29 8.042 -10.110 -11.959 1.00 0.00 O ATOM 0 H SER A 29 6.086 -10.483 -8.046 1.00 0.00 H new ATOM 0 HA SER A 29 6.248 -9.235 -9.955 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.566 -9.750 -9.992 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.288 -11.434 -10.391 1.00 0.00 H new ATOM 0 HG SER A 29 7.555 -10.780 -12.483 1.00 0.00 H new ATOM 483 N ASP A 30 4.268 -10.790 -10.995 1.00 0.00 N ATOM 484 CA ASP A 30 3.296 -11.263 -12.028 1.00 0.00 C ATOM 485 C ASP A 30 2.717 -10.039 -12.735 1.00 0.00 C ATOM 486 O ASP A 30 1.802 -10.131 -13.528 1.00 0.00 O ATOM 487 CB ASP A 30 2.167 -12.040 -11.346 1.00 0.00 C ATOM 488 CG ASP A 30 2.743 -13.279 -10.657 1.00 0.00 C ATOM 489 OD1 ASP A 30 3.848 -13.665 -11.002 1.00 0.00 O ATOM 490 OD2 ASP A 30 2.070 -13.819 -9.796 1.00 0.00 O ATOM 0 H ASP A 30 3.846 -10.466 -10.125 1.00 0.00 H new ATOM 0 HA ASP A 30 3.794 -11.914 -12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.664 -11.406 -10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.418 -12.335 -12.081 1.00 0.00 H new ATOM 495 N GLY A 31 3.252 -8.886 -12.437 1.00 0.00 N ATOM 496 CA GLY A 31 2.754 -7.629 -13.063 1.00 0.00 C ATOM 497 C GLY A 31 1.391 -7.259 -12.474 1.00 0.00 C ATOM 498 O GLY A 31 0.775 -6.295 -12.886 1.00 0.00 O ATOM 0 H GLY A 31 4.021 -8.761 -11.779 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.465 -6.821 -12.892 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.671 -7.758 -14.142 1.00 0.00 H new ATOM 502 N VAL A 32 0.932 -7.986 -11.482 1.00 0.00 N ATOM 503 CA VAL A 32 -0.373 -7.635 -10.834 1.00 0.00 C ATOM 504 C VAL A 32 -0.270 -7.937 -9.333 1.00 0.00 C ATOM 505 O VAL A 32 0.615 -8.648 -8.899 1.00 0.00 O ATOM 506 CB VAL A 32 -1.538 -8.428 -11.486 1.00 0.00 C ATOM 507 CG1 VAL A 32 -1.211 -8.696 -12.956 1.00 0.00 C ATOM 508 CG2 VAL A 32 -1.786 -9.768 -10.765 1.00 0.00 C ATOM 0 H VAL A 32 1.402 -8.804 -11.094 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.584 -6.575 -10.976 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.443 -7.827 -11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.028 -9.253 -13.415 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.079 -7.748 -13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.292 -9.278 -13.024 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.608 -10.295 -11.249 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.885 -10.379 -10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.041 -9.578 -9.722 1.00 0.00 H new ATOM 518 N LEU A 33 -1.179 -7.426 -8.551 1.00 0.00 N ATOM 519 CA LEU A 33 -1.163 -7.704 -7.065 1.00 0.00 C ATOM 520 C LEU A 33 -2.398 -8.553 -6.740 1.00 0.00 C ATOM 521 O LEU A 33 -3.503 -8.228 -7.124 1.00 0.00 O ATOM 522 CB LEU A 33 -1.165 -6.373 -6.247 1.00 0.00 C ATOM 523 CG LEU A 33 -0.170 -6.461 -5.070 1.00 0.00 C ATOM 524 CD1 LEU A 33 1.271 -6.267 -5.572 1.00 0.00 C ATOM 525 CD2 LEU A 33 -0.487 -5.360 -4.054 1.00 0.00 C ATOM 0 H LEU A 33 -1.940 -6.824 -8.867 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.255 -8.240 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.897 -5.540 -6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.168 -6.173 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.263 -7.443 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.961 -6.332 -4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.511 -7.043 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.364 -5.288 -6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.214 -5.420 -3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.398 -4.385 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.503 -5.490 -3.682 1.00 0.00 H new ATOM 537 N ASP A 34 -2.207 -9.662 -6.056 1.00 0.00 N ATOM 538 CA ASP A 34 -3.363 -10.567 -5.728 1.00 0.00 C ATOM 539 C ASP A 34 -3.755 -10.428 -4.254 1.00 0.00 C ATOM 540 O ASP A 34 -3.018 -9.908 -3.440 1.00 0.00 O ATOM 541 CB ASP A 34 -2.990 -12.030 -6.032 1.00 0.00 C ATOM 542 CG ASP A 34 -1.945 -12.516 -5.025 1.00 0.00 C ATOM 543 OD1 ASP A 34 -1.453 -11.695 -4.268 1.00 0.00 O ATOM 544 OD2 ASP A 34 -1.655 -13.701 -5.027 1.00 0.00 O ATOM 0 H ASP A 34 -1.301 -9.979 -5.711 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.214 -10.277 -6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.878 -12.660 -5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.598 -12.112 -7.046 1.00 0.00 H new ATOM 549 N GLU A 35 -4.932 -10.884 -3.926 1.00 0.00 N ATOM 550 CA GLU A 35 -5.435 -10.790 -2.522 1.00 0.00 C ATOM 551 C GLU A 35 -4.484 -11.493 -1.548 1.00 0.00 C ATOM 552 O GLU A 35 -4.636 -11.390 -0.348 1.00 0.00 O ATOM 553 CB GLU A 35 -6.805 -11.460 -2.441 1.00 0.00 C ATOM 554 CG GLU A 35 -7.762 -10.834 -3.469 1.00 0.00 C ATOM 555 CD GLU A 35 -7.542 -11.472 -4.845 1.00 0.00 C ATOM 556 OE1 GLU A 35 -6.696 -10.984 -5.575 1.00 0.00 O ATOM 557 OE2 GLU A 35 -8.224 -12.440 -5.142 1.00 0.00 O ATOM 0 H GLU A 35 -5.578 -11.325 -4.580 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.501 -9.737 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.707 -12.529 -2.628 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.214 -11.348 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.795 -10.979 -3.152 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.594 -9.758 -3.527 1.00 0.00 H new ATOM 564 N GLN A 36 -3.513 -12.204 -2.036 1.00 0.00 N ATOM 565 CA GLN A 36 -2.568 -12.906 -1.119 1.00 0.00 C ATOM 566 C GLN A 36 -1.455 -11.947 -0.700 1.00 0.00 C ATOM 567 O GLN A 36 -0.997 -11.966 0.426 1.00 0.00 O ATOM 568 CB GLN A 36 -1.959 -14.112 -1.835 1.00 0.00 C ATOM 569 CG GLN A 36 -3.079 -15.034 -2.324 1.00 0.00 C ATOM 570 CD GLN A 36 -3.687 -15.783 -1.132 1.00 0.00 C ATOM 571 OE1 GLN A 36 -4.611 -16.555 -1.295 1.00 0.00 O ATOM 572 NE2 GLN A 36 -3.206 -15.590 0.069 1.00 0.00 N ATOM 0 H GLN A 36 -3.329 -12.333 -3.031 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.108 -13.244 -0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -1.353 -13.780 -2.678 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.297 -14.653 -1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -3.848 -14.451 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -2.687 -15.745 -3.051 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -2.430 -14.943 0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.607 -16.087 0.865 1.00 0.00 H new ATOM 581 N GLU A 37 -1.024 -11.101 -1.591 1.00 0.00 N ATOM 582 CA GLU A 37 0.049 -10.132 -1.241 1.00 0.00 C ATOM 583 C GLU A 37 -0.601 -8.956 -0.499 1.00 0.00 C ATOM 584 O GLU A 37 -0.033 -8.389 0.407 1.00 0.00 O ATOM 585 CB GLU A 37 0.755 -9.667 -2.543 1.00 0.00 C ATOM 586 CG GLU A 37 1.318 -8.254 -2.390 1.00 0.00 C ATOM 587 CD GLU A 37 2.120 -8.153 -1.090 1.00 0.00 C ATOM 588 OE1 GLU A 37 2.634 -9.170 -0.656 1.00 0.00 O ATOM 589 OE2 GLU A 37 2.204 -7.062 -0.552 1.00 0.00 O ATOM 0 H GLU A 37 -1.369 -11.039 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 37 0.802 -10.584 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.561 -10.358 -2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.048 -9.692 -3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.955 -8.013 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.505 -7.528 -2.384 1.00 0.00 H new ATOM 596 N LEU A 38 -1.799 -8.607 -0.880 1.00 0.00 N ATOM 597 CA LEU A 38 -2.526 -7.484 -0.218 1.00 0.00 C ATOM 598 C LEU A 38 -2.995 -7.913 1.182 1.00 0.00 C ATOM 599 O LEU A 38 -2.879 -7.164 2.139 1.00 0.00 O ATOM 600 CB LEU A 38 -3.745 -7.114 -1.096 1.00 0.00 C ATOM 601 CG LEU A 38 -4.467 -5.841 -0.563 1.00 0.00 C ATOM 602 CD1 LEU A 38 -3.901 -4.572 -1.229 1.00 0.00 C ATOM 603 CD2 LEU A 38 -5.973 -5.914 -0.882 1.00 0.00 C ATOM 0 H LEU A 38 -2.314 -9.060 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.867 -6.623 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.418 -6.945 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.446 -7.949 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.306 -5.796 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.420 -3.695 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.836 -4.490 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.045 -4.632 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.469 -5.019 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.114 -5.980 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.403 -6.795 -0.406 1.00 0.00 H new ATOM 615 N GLU A 39 -3.500 -9.110 1.332 1.00 0.00 N ATOM 616 CA GLU A 39 -3.946 -9.546 2.681 1.00 0.00 C ATOM 617 C GLU A 39 -2.717 -9.790 3.553 1.00 0.00 C ATOM 618 O GLU A 39 -2.734 -9.557 4.745 1.00 0.00 O ATOM 619 CB GLU A 39 -4.764 -10.834 2.569 1.00 0.00 C ATOM 620 CG GLU A 39 -6.122 -10.519 1.937 1.00 0.00 C ATOM 621 CD GLU A 39 -6.881 -11.821 1.679 1.00 0.00 C ATOM 622 OE1 GLU A 39 -6.241 -12.796 1.322 1.00 0.00 O ATOM 623 OE2 GLU A 39 -8.091 -11.820 1.843 1.00 0.00 O ATOM 0 H GLU A 39 -3.621 -9.795 0.586 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.569 -8.772 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.230 -11.566 1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.903 -11.277 3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.701 -9.873 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.982 -9.976 1.002 1.00 0.00 H new ATOM 630 N ALA A 40 -1.648 -10.259 2.970 1.00 0.00 N ATOM 631 CA ALA A 40 -0.426 -10.516 3.777 1.00 0.00 C ATOM 632 C ALA A 40 0.245 -9.193 4.161 1.00 0.00 C ATOM 633 O ALA A 40 0.913 -9.101 5.172 1.00 0.00 O ATOM 634 CB ALA A 40 0.566 -11.358 2.987 1.00 0.00 C ATOM 0 H ALA A 40 -1.569 -10.474 1.976 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.723 -11.053 4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.455 -11.537 3.592 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.107 -12.312 2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.848 -10.829 2.076 1.00 0.00 H new ATOM 640 N LEU A 41 0.093 -8.168 3.359 1.00 0.00 N ATOM 641 CA LEU A 41 0.751 -6.870 3.695 1.00 0.00 C ATOM 642 C LEU A 41 0.056 -6.231 4.907 1.00 0.00 C ATOM 643 O LEU A 41 0.680 -5.535 5.682 1.00 0.00 O ATOM 644 CB LEU A 41 0.704 -5.916 2.469 1.00 0.00 C ATOM 645 CG LEU A 41 2.036 -5.170 2.315 1.00 0.00 C ATOM 646 CD1 LEU A 41 1.994 -4.309 1.051 1.00 0.00 C ATOM 647 CD2 LEU A 41 2.262 -4.273 3.534 1.00 0.00 C ATOM 0 H LEU A 41 -0.452 -8.174 2.497 1.00 0.00 H new ATOM 0 HA LEU A 41 1.795 -7.052 3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.494 -6.487 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.109 -5.200 2.590 1.00 0.00 H new ATOM 0 HG LEU A 41 2.850 -5.891 2.238 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.940 -3.778 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.832 -4.946 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.180 -3.588 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.208 -3.743 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.448 -3.552 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.291 -4.885 4.436 1.00 0.00 H new ATOM 659 N PHE A 42 -1.228 -6.444 5.087 1.00 0.00 N ATOM 660 CA PHE A 42 -1.903 -5.810 6.267 1.00 0.00 C ATOM 661 C PHE A 42 -1.574 -6.601 7.542 1.00 0.00 C ATOM 662 O PHE A 42 -1.221 -6.031 8.554 1.00 0.00 O ATOM 663 CB PHE A 42 -3.443 -5.732 6.066 1.00 0.00 C ATOM 664 CG PHE A 42 -3.817 -4.387 5.449 1.00 0.00 C ATOM 665 CD1 PHE A 42 -3.488 -3.193 6.118 1.00 0.00 C ATOM 666 CD2 PHE A 42 -4.468 -4.327 4.206 1.00 0.00 C ATOM 667 CE1 PHE A 42 -3.802 -1.959 5.546 1.00 0.00 C ATOM 668 CE2 PHE A 42 -4.786 -3.085 3.644 1.00 0.00 C ATOM 669 CZ PHE A 42 -4.449 -1.904 4.311 1.00 0.00 C ATOM 0 H PHE A 42 -1.824 -7.013 4.486 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.529 -4.791 6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.776 -6.544 5.420 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.951 -5.857 7.022 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.991 -3.232 7.076 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.723 -5.238 3.685 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.544 -1.045 6.060 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.293 -3.039 2.692 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.690 -0.948 3.870 1.00 0.00 H new ATOM 679 N THR A 43 -1.701 -7.895 7.510 1.00 0.00 N ATOM 680 CA THR A 43 -1.419 -8.702 8.733 1.00 0.00 C ATOM 681 C THR A 43 0.011 -8.465 9.241 1.00 0.00 C ATOM 682 O THR A 43 0.237 -8.341 10.429 1.00 0.00 O ATOM 683 CB THR A 43 -1.595 -10.188 8.405 1.00 0.00 C ATOM 684 OG1 THR A 43 -2.957 -10.442 8.091 1.00 0.00 O ATOM 685 CG2 THR A 43 -1.181 -11.037 9.610 1.00 0.00 C ATOM 0 H THR A 43 -1.988 -8.432 6.692 1.00 0.00 H new ATOM 0 HA THR A 43 -2.116 -8.397 9.514 1.00 0.00 H new ATOM 0 HB THR A 43 -0.968 -10.447 7.552 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.072 -11.392 7.879 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.308 -12.093 9.372 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.136 -10.842 9.850 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.804 -10.781 10.467 1.00 0.00 H new ATOM 693 N LYS A 44 0.981 -8.445 8.369 1.00 0.00 N ATOM 694 CA LYS A 44 2.389 -8.269 8.840 1.00 0.00 C ATOM 695 C LYS A 44 2.675 -6.823 9.266 1.00 0.00 C ATOM 696 O LYS A 44 3.249 -6.590 10.306 1.00 0.00 O ATOM 697 CB LYS A 44 3.368 -8.663 7.723 1.00 0.00 C ATOM 698 CG LYS A 44 3.184 -10.155 7.326 1.00 0.00 C ATOM 699 CD LYS A 44 4.550 -10.853 7.196 1.00 0.00 C ATOM 700 CE LYS A 44 5.428 -10.128 6.163 1.00 0.00 C ATOM 701 NZ LYS A 44 6.379 -11.102 5.556 1.00 0.00 N ATOM 0 H LYS A 44 0.865 -8.542 7.360 1.00 0.00 H new ATOM 0 HA LYS A 44 2.523 -8.914 9.708 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.207 -8.028 6.852 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.392 -8.494 8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.579 -10.665 8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.644 -10.222 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.052 -10.866 8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.408 -11.891 6.896 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.805 -9.680 5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.976 -9.316 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.975 -10.615 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.981 -11.509 6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.846 -11.862 5.087 1.00 0.00 H new ATOM 715 N GLU A 45 2.315 -5.850 8.478 1.00 0.00 N ATOM 716 CA GLU A 45 2.621 -4.441 8.875 1.00 0.00 C ATOM 717 C GLU A 45 1.992 -4.130 10.240 1.00 0.00 C ATOM 718 O GLU A 45 2.480 -3.294 10.973 1.00 0.00 O ATOM 719 CB GLU A 45 2.090 -3.463 7.812 1.00 0.00 C ATOM 720 CG GLU A 45 3.125 -3.289 6.692 1.00 0.00 C ATOM 721 CD GLU A 45 4.267 -2.398 7.187 1.00 0.00 C ATOM 722 OE1 GLU A 45 3.978 -1.333 7.708 1.00 0.00 O ATOM 723 OE2 GLU A 45 5.411 -2.796 7.037 1.00 0.00 O ATOM 0 H GLU A 45 1.829 -5.962 7.588 1.00 0.00 H new ATOM 0 HA GLU A 45 3.702 -4.324 8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.154 -3.837 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.873 -2.498 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.514 -4.261 6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.656 -2.844 5.815 1.00 0.00 H new ATOM 730 N LEU A 46 0.916 -4.781 10.590 1.00 0.00 N ATOM 731 CA LEU A 46 0.284 -4.490 11.911 1.00 0.00 C ATOM 732 C LEU A 46 1.181 -5.014 13.038 1.00 0.00 C ATOM 733 O LEU A 46 1.140 -4.524 14.148 1.00 0.00 O ATOM 734 CB LEU A 46 -1.092 -5.169 12.000 1.00 0.00 C ATOM 735 CG LEU A 46 -2.135 -4.412 11.137 1.00 0.00 C ATOM 736 CD1 LEU A 46 -3.293 -5.358 10.800 1.00 0.00 C ATOM 737 CD2 LEU A 46 -2.711 -3.197 11.902 1.00 0.00 C ATOM 0 H LEU A 46 0.451 -5.493 10.027 1.00 0.00 H new ATOM 0 HA LEU A 46 0.159 -3.412 12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.015 -6.203 11.663 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.423 -5.196 13.038 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.639 -4.063 10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.029 -4.830 10.193 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.913 -6.215 10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.762 -5.702 11.722 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.440 -2.684 11.274 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.196 -3.539 12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.903 -2.510 12.155 1.00 0.00 H new ATOM 749 N GLU A 47 1.987 -6.005 12.769 1.00 0.00 N ATOM 750 CA GLU A 47 2.874 -6.547 13.838 1.00 0.00 C ATOM 751 C GLU A 47 3.893 -5.478 14.255 1.00 0.00 C ATOM 752 O GLU A 47 4.761 -5.725 15.071 1.00 0.00 O ATOM 753 CB GLU A 47 3.577 -7.829 13.332 1.00 0.00 C ATOM 754 CG GLU A 47 4.878 -7.503 12.564 1.00 0.00 C ATOM 755 CD GLU A 47 6.055 -7.409 13.541 1.00 0.00 C ATOM 756 OE1 GLU A 47 6.386 -8.419 14.138 1.00 0.00 O ATOM 757 OE2 GLU A 47 6.604 -6.327 13.674 1.00 0.00 O ATOM 0 H GLU A 47 2.070 -6.461 11.860 1.00 0.00 H new ATOM 0 HA GLU A 47 2.280 -6.809 14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.807 -8.476 14.178 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.900 -8.383 12.682 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.074 -8.275 11.820 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.766 -6.562 12.025 1.00 0.00 H new ATOM 764 N LYS A 48 3.794 -4.289 13.704 1.00 0.00 N ATOM 765 CA LYS A 48 4.754 -3.198 14.064 1.00 0.00 C ATOM 766 C LYS A 48 4.049 -2.160 14.944 1.00 0.00 C ATOM 767 O LYS A 48 4.652 -1.200 15.382 1.00 0.00 O ATOM 768 CB LYS A 48 5.241 -2.521 12.781 1.00 0.00 C ATOM 769 CG LYS A 48 5.658 -3.592 11.765 1.00 0.00 C ATOM 770 CD LYS A 48 6.476 -2.944 10.646 1.00 0.00 C ATOM 771 CE LYS A 48 5.664 -1.824 9.987 1.00 0.00 C ATOM 772 NZ LYS A 48 5.737 -0.596 10.830 1.00 0.00 N ATOM 0 H LYS A 48 3.086 -4.028 13.018 1.00 0.00 H new ATOM 0 HA LYS A 48 5.599 -3.620 14.609 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.451 -1.897 12.364 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.083 -1.865 13.000 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.246 -4.366 12.258 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.775 -4.078 11.350 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.405 -2.542 11.049 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.749 -3.693 9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.052 -1.617 8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.626 -2.135 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.825 -0.448 11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.487 -0.708 11.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.950 0.226 10.229 1.00 0.00 H new ATOM 786 N VAL A 49 2.776 -2.347 15.202 1.00 0.00 N ATOM 787 CA VAL A 49 2.014 -1.375 16.053 1.00 0.00 C ATOM 788 C VAL A 49 1.568 -2.063 17.347 1.00 0.00 C ATOM 789 O VAL A 49 1.916 -1.643 18.432 1.00 0.00 O ATOM 790 CB VAL A 49 0.779 -0.894 15.286 1.00 0.00 C ATOM 791 CG1 VAL A 49 -0.003 0.100 16.147 1.00 0.00 C ATOM 792 CG2 VAL A 49 1.219 -0.209 13.991 1.00 0.00 C ATOM 0 H VAL A 49 2.228 -3.136 14.858 1.00 0.00 H new ATOM 0 HA VAL A 49 2.653 -0.526 16.295 1.00 0.00 H new ATOM 0 HB VAL A 49 0.144 -1.748 15.050 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.882 0.442 15.600 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.317 -0.387 17.071 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.632 0.954 16.384 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.341 0.134 13.444 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.854 0.644 14.228 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.776 -0.916 13.376 1.00 0.00 H new ATOM 802 N TYR A 50 0.804 -3.117 17.245 1.00 0.00 N ATOM 803 CA TYR A 50 0.342 -3.825 18.474 1.00 0.00 C ATOM 804 C TYR A 50 1.429 -4.797 18.939 1.00 0.00 C ATOM 805 O TYR A 50 2.583 -4.667 18.586 1.00 0.00 O ATOM 806 CB TYR A 50 -0.940 -4.602 18.165 1.00 0.00 C ATOM 807 CG TYR A 50 -2.047 -3.632 17.816 1.00 0.00 C ATOM 808 CD1 TYR A 50 -2.798 -3.028 18.835 1.00 0.00 C ATOM 809 CD2 TYR A 50 -2.326 -3.336 16.476 1.00 0.00 C ATOM 810 CE1 TYR A 50 -3.823 -2.132 18.513 1.00 0.00 C ATOM 811 CE2 TYR A 50 -3.352 -2.439 16.155 1.00 0.00 C ATOM 812 CZ TYR A 50 -4.101 -1.837 17.173 1.00 0.00 C ATOM 813 OH TYR A 50 -5.112 -0.954 16.856 1.00 0.00 O ATOM 0 H TYR A 50 0.480 -3.518 16.365 1.00 0.00 H new ATOM 0 HA TYR A 50 0.143 -3.097 19.261 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.770 -5.290 17.337 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.229 -5.205 19.026 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.585 -3.255 19.869 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.749 -3.800 15.690 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.400 -1.668 19.299 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.566 -2.211 15.121 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.771 -1.402 16.286 1.00 0.00 H new ATOM 823 N ASP A 51 1.067 -5.774 19.730 1.00 0.00 N ATOM 824 CA ASP A 51 2.076 -6.762 20.219 1.00 0.00 C ATOM 825 C ASP A 51 1.408 -8.136 20.382 1.00 0.00 C ATOM 826 O ASP A 51 1.282 -8.623 21.488 1.00 0.00 O ATOM 827 CB ASP A 51 2.613 -6.298 21.580 1.00 0.00 C ATOM 828 CG ASP A 51 1.441 -6.000 22.516 1.00 0.00 C ATOM 829 OD1 ASP A 51 0.381 -6.566 22.305 1.00 0.00 O ATOM 830 OD2 ASP A 51 1.623 -5.211 23.428 1.00 0.00 O ATOM 0 H ASP A 51 0.114 -5.931 20.059 1.00 0.00 H new ATOM 0 HA ASP A 51 2.894 -6.836 19.503 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.251 -7.068 22.013 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.228 -5.407 21.456 1.00 0.00 H new ATOM 835 N PRO A 52 0.991 -8.729 19.281 1.00 0.00 N ATOM 836 CA PRO A 52 0.332 -10.048 19.317 1.00 0.00 C ATOM 837 C PRO A 52 1.319 -11.107 19.822 1.00 0.00 C ATOM 838 O PRO A 52 2.487 -10.839 20.022 1.00 0.00 O ATOM 839 CB PRO A 52 -0.089 -10.324 17.852 1.00 0.00 C ATOM 840 CG PRO A 52 0.484 -9.175 16.980 1.00 0.00 C ATOM 841 CD PRO A 52 1.139 -8.146 17.928 1.00 0.00 C ATOM 0 HA PRO A 52 -0.526 -10.075 19.989 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.295 -11.288 17.517 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.175 -10.366 17.766 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.216 -9.562 16.271 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.308 -8.707 16.396 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.188 -7.989 17.678 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.647 -7.176 17.859 1.00 0.00 H new ATOM 849 N LYS A 53 0.856 -12.312 20.019 1.00 0.00 N ATOM 850 CA LYS A 53 1.758 -13.402 20.500 1.00 0.00 C ATOM 851 C LYS A 53 2.224 -14.230 19.300 1.00 0.00 C ATOM 852 O LYS A 53 2.109 -15.439 19.284 1.00 0.00 O ATOM 853 CB LYS A 53 0.987 -14.302 21.471 1.00 0.00 C ATOM 854 CG LYS A 53 0.595 -13.497 22.727 1.00 0.00 C ATOM 855 CD LYS A 53 -0.626 -14.143 23.424 1.00 0.00 C ATOM 856 CE LYS A 53 -1.929 -13.508 22.915 1.00 0.00 C ATOM 857 NZ LYS A 53 -3.089 -14.316 23.386 1.00 0.00 N ATOM 0 H LYS A 53 -0.113 -12.591 19.867 1.00 0.00 H new ATOM 0 HA LYS A 53 2.621 -12.973 21.008 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.094 -14.695 20.986 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.600 -15.158 21.753 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.437 -13.457 23.418 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.361 -12.469 22.449 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.637 -15.216 23.232 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.548 -14.013 24.503 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.014 -12.484 23.278 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.923 -13.461 21.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.937 -13.715 23.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.255 -15.102 22.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.886 -14.695 24.333 1.00 0.00 H new ATOM 871 N ASN A 54 2.743 -13.583 18.291 1.00 0.00 N ATOM 872 CA ASN A 54 3.213 -14.324 17.087 1.00 0.00 C ATOM 873 C ASN A 54 2.054 -15.133 16.500 1.00 0.00 C ATOM 874 O ASN A 54 2.224 -15.893 15.567 1.00 0.00 O ATOM 875 CB ASN A 54 4.354 -15.270 17.478 1.00 0.00 C ATOM 876 CG ASN A 54 5.085 -15.738 16.217 1.00 0.00 C ATOM 877 OD1 ASN A 54 6.137 -16.340 16.300 1.00 0.00 O ATOM 878 ND2 ASN A 54 4.568 -15.484 15.046 1.00 0.00 N ATOM 0 H ASN A 54 2.862 -12.571 18.250 1.00 0.00 H new ATOM 0 HA ASN A 54 3.573 -13.614 16.342 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.049 -14.762 18.146 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.959 -16.128 18.022 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.047 -15.791 14.200 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.685 -14.979 14.977 1.00 0.00 H new ATOM 885 N GLU A 55 0.872 -14.974 17.043 1.00 0.00 N ATOM 886 CA GLU A 55 -0.311 -15.729 16.525 1.00 0.00 C ATOM 887 C GLU A 55 -1.534 -14.810 16.524 1.00 0.00 C ATOM 888 O GLU A 55 -1.848 -14.179 17.513 1.00 0.00 O ATOM 889 CB GLU A 55 -0.591 -16.932 17.433 1.00 0.00 C ATOM 890 CG GLU A 55 0.636 -17.846 17.485 1.00 0.00 C ATOM 891 CD GLU A 55 0.932 -18.387 16.085 1.00 0.00 C ATOM 892 OE1 GLU A 55 0.022 -18.923 15.475 1.00 0.00 O ATOM 893 OE2 GLU A 55 2.063 -18.256 15.647 1.00 0.00 O ATOM 0 H GLU A 55 0.675 -14.351 17.826 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.104 -16.075 15.512 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.842 -16.590 18.437 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.452 -17.487 17.060 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.497 -17.295 17.862 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.459 -18.671 18.175 1.00 0.00 H new ATOM 900 N GLU A 56 -2.231 -14.730 15.422 1.00 0.00 N ATOM 901 CA GLU A 56 -3.433 -13.852 15.367 1.00 0.00 C ATOM 902 C GLU A 56 -4.509 -14.406 16.302 1.00 0.00 C ATOM 903 O GLU A 56 -5.270 -15.279 15.937 1.00 0.00 O ATOM 904 CB GLU A 56 -3.971 -13.810 13.936 1.00 0.00 C ATOM 905 CG GLU A 56 -2.979 -13.069 13.038 1.00 0.00 C ATOM 906 CD GLU A 56 -1.699 -13.895 12.901 1.00 0.00 C ATOM 907 OE1 GLU A 56 -1.683 -14.794 12.076 1.00 0.00 O ATOM 908 OE2 GLU A 56 -0.756 -13.615 13.624 1.00 0.00 O ATOM 0 H GLU A 56 -2.020 -15.234 14.560 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.162 -12.844 15.680 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.127 -14.823 13.565 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.940 -13.311 13.915 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.420 -12.896 12.056 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.750 -12.091 13.461 1.00 0.00 H new ATOM 915 N ASP A 57 -4.583 -13.905 17.502 1.00 0.00 N ATOM 916 CA ASP A 57 -5.616 -14.405 18.452 1.00 0.00 C ATOM 917 C ASP A 57 -5.646 -13.509 19.689 1.00 0.00 C ATOM 918 O ASP A 57 -5.663 -13.980 20.809 1.00 0.00 O ATOM 919 CB ASP A 57 -5.281 -15.839 18.866 1.00 0.00 C ATOM 920 CG ASP A 57 -6.409 -16.396 19.738 1.00 0.00 C ATOM 921 OD1 ASP A 57 -7.555 -16.286 19.331 1.00 0.00 O ATOM 922 OD2 ASP A 57 -6.109 -16.922 20.796 1.00 0.00 O ATOM 0 H ASP A 57 -3.974 -13.172 17.867 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.592 -14.388 17.968 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.149 -16.463 17.982 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.339 -15.860 19.414 1.00 0.00 H new ATOM 927 N ASP A 58 -5.653 -12.220 19.497 1.00 0.00 N ATOM 928 CA ASP A 58 -5.682 -11.292 20.659 1.00 0.00 C ATOM 929 C ASP A 58 -5.895 -9.864 20.162 1.00 0.00 C ATOM 930 O ASP A 58 -5.965 -8.932 20.939 1.00 0.00 O ATOM 931 CB ASP A 58 -4.354 -11.377 21.415 1.00 0.00 C ATOM 932 CG ASP A 58 -4.399 -10.447 22.630 1.00 0.00 C ATOM 933 OD1 ASP A 58 -5.398 -10.467 23.330 1.00 0.00 O ATOM 934 OD2 ASP A 58 -3.433 -9.732 22.838 1.00 0.00 O ATOM 0 H ASP A 58 -5.640 -11.769 18.582 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.497 -11.571 21.327 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.170 -12.403 21.735 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.531 -11.096 20.758 1.00 0.00 H new ATOM 939 N MET A 59 -6.005 -9.678 18.872 1.00 0.00 N ATOM 940 CA MET A 59 -6.221 -8.309 18.318 1.00 0.00 C ATOM 941 C MET A 59 -7.709 -8.119 18.026 1.00 0.00 C ATOM 942 O MET A 59 -8.127 -7.103 17.507 1.00 0.00 O ATOM 943 CB MET A 59 -5.425 -8.161 17.017 1.00 0.00 C ATOM 944 CG MET A 59 -3.928 -8.352 17.295 1.00 0.00 C ATOM 945 SD MET A 59 -3.095 -8.874 15.775 1.00 0.00 S ATOM 946 CE MET A 59 -3.312 -7.332 14.854 1.00 0.00 C ATOM 0 H MET A 59 -5.954 -10.421 18.175 1.00 0.00 H new ATOM 0 HA MET A 59 -5.888 -7.560 19.037 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.765 -8.896 16.287 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.600 -7.176 16.583 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.493 -7.421 17.660 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.784 -9.099 18.076 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.675 -7.344 13.970 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.354 -7.234 14.549 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.038 -6.488 15.487 1.00 0.00 H new ATOM 956 N ARG A 60 -8.513 -9.096 18.358 1.00 0.00 N ATOM 957 CA ARG A 60 -9.980 -8.987 18.106 1.00 0.00 C ATOM 958 C ARG A 60 -10.478 -7.607 18.542 1.00 0.00 C ATOM 959 O ARG A 60 -11.101 -6.894 17.782 1.00 0.00 O ATOM 960 CB ARG A 60 -10.711 -10.068 18.905 1.00 0.00 C ATOM 961 CG ARG A 60 -12.188 -10.093 18.506 1.00 0.00 C ATOM 962 CD ARG A 60 -12.889 -11.249 19.224 1.00 0.00 C ATOM 963 NE ARG A 60 -14.295 -11.352 18.744 1.00 0.00 N ATOM 964 CZ ARG A 60 -14.988 -12.432 18.987 1.00 0.00 C ATOM 965 NH1 ARG A 60 -14.448 -13.419 19.646 1.00 0.00 N ATOM 966 NH2 ARG A 60 -16.221 -12.523 18.568 1.00 0.00 N ATOM 0 H ARG A 60 -8.215 -9.968 18.795 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.176 -9.120 17.042 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.257 -11.041 18.718 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.616 -9.872 19.973 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.663 -9.147 18.767 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.283 -10.210 17.426 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.360 -12.183 19.035 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.872 -11.085 20.302 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.716 -10.580 18.226 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.484 -13.348 19.972 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.989 -14.262 19.836 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.642 -11.751 18.051 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.763 -13.366 18.757 1.00 0.00 H new ATOM 980 N GLU A 61 -10.229 -7.240 19.771 1.00 0.00 N ATOM 981 CA GLU A 61 -10.698 -5.920 20.285 1.00 0.00 C ATOM 982 C GLU A 61 -10.457 -4.803 19.260 1.00 0.00 C ATOM 983 O GLU A 61 -10.975 -3.714 19.405 1.00 0.00 O ATOM 984 CB GLU A 61 -9.942 -5.587 21.575 1.00 0.00 C ATOM 985 CG GLU A 61 -10.427 -6.497 22.709 1.00 0.00 C ATOM 986 CD GLU A 61 -10.008 -7.940 22.424 1.00 0.00 C ATOM 987 OE1 GLU A 61 -8.842 -8.150 22.128 1.00 0.00 O ATOM 988 OE2 GLU A 61 -10.858 -8.810 22.508 1.00 0.00 O ATOM 0 H GLU A 61 -9.715 -7.805 20.448 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.769 -5.987 20.474 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.871 -5.718 21.424 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.101 -4.542 21.841 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.007 -6.167 23.659 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.511 -6.434 22.801 1.00 0.00 H new ATOM 995 N MET A 62 -9.679 -5.048 18.229 1.00 0.00 N ATOM 996 CA MET A 62 -9.419 -3.978 17.207 1.00 0.00 C ATOM 997 C MET A 62 -9.543 -4.568 15.791 1.00 0.00 C ATOM 998 O MET A 62 -9.285 -3.901 14.808 1.00 0.00 O ATOM 999 CB MET A 62 -8.019 -3.363 17.463 1.00 0.00 C ATOM 1000 CG MET A 62 -6.906 -4.089 16.676 1.00 0.00 C ATOM 1001 SD MET A 62 -6.637 -3.237 15.096 1.00 0.00 S ATOM 1002 CE MET A 62 -6.510 -4.690 14.028 1.00 0.00 C ATOM 0 H MET A 62 -9.214 -5.938 18.051 1.00 0.00 H new ATOM 0 HA MET A 62 -10.159 -3.182 17.292 1.00 0.00 H new ATOM 0 HB2 MET A 62 -8.031 -2.310 17.183 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.795 -3.407 18.529 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.984 -4.103 17.257 1.00 0.00 H new ATOM 0 HG3 MET A 62 -7.187 -5.127 16.499 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.676 -4.562 13.337 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.343 -5.577 14.639 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.434 -4.808 13.463 1.00 0.00 H new ATOM 1012 N GLU A 63 -9.948 -5.809 15.684 1.00 0.00 N ATOM 1013 CA GLU A 63 -10.104 -6.440 14.335 1.00 0.00 C ATOM 1014 C GLU A 63 -10.890 -5.484 13.419 1.00 0.00 C ATOM 1015 O GLU A 63 -10.957 -5.674 12.221 1.00 0.00 O ATOM 1016 CB GLU A 63 -10.860 -7.785 14.483 1.00 0.00 C ATOM 1017 CG GLU A 63 -9.882 -8.963 14.363 1.00 0.00 C ATOM 1018 CD GLU A 63 -10.601 -10.265 14.725 1.00 0.00 C ATOM 1019 OE1 GLU A 63 -11.746 -10.189 15.140 1.00 0.00 O ATOM 1020 OE2 GLU A 63 -9.995 -11.313 14.582 1.00 0.00 O ATOM 0 H GLU A 63 -10.178 -6.414 16.473 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.125 -6.631 13.895 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.366 -7.821 15.448 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.630 -7.863 13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.491 -9.022 13.347 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.030 -8.810 15.025 1.00 0.00 H new ATOM 1027 N GLU A 64 -11.482 -4.463 13.976 1.00 0.00 N ATOM 1028 CA GLU A 64 -12.259 -3.500 13.145 1.00 0.00 C ATOM 1029 C GLU A 64 -11.331 -2.798 12.150 1.00 0.00 C ATOM 1030 O GLU A 64 -11.747 -2.391 11.082 1.00 0.00 O ATOM 1031 CB GLU A 64 -12.900 -2.455 14.058 1.00 0.00 C ATOM 1032 CG GLU A 64 -14.002 -3.110 14.892 1.00 0.00 C ATOM 1033 CD GLU A 64 -13.376 -4.091 15.885 1.00 0.00 C ATOM 1034 OE1 GLU A 64 -12.516 -3.671 16.641 1.00 0.00 O ATOM 1035 OE2 GLU A 64 -13.768 -5.247 15.872 1.00 0.00 O ATOM 0 H GLU A 64 -11.461 -4.254 14.974 1.00 0.00 H new ATOM 0 HA GLU A 64 -13.030 -4.040 12.595 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.146 -2.017 14.712 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.315 -1.642 13.462 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -14.570 -2.348 15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.703 -3.633 14.241 1.00 0.00 H new ATOM 1042 N GLU A 65 -10.080 -2.642 12.488 1.00 0.00 N ATOM 1043 CA GLU A 65 -9.135 -1.959 11.558 1.00 0.00 C ATOM 1044 C GLU A 65 -8.878 -2.844 10.338 1.00 0.00 C ATOM 1045 O GLU A 65 -8.950 -2.402 9.209 1.00 0.00 O ATOM 1046 CB GLU A 65 -7.806 -1.703 12.269 1.00 0.00 C ATOM 1047 CG GLU A 65 -8.044 -0.897 13.546 1.00 0.00 C ATOM 1048 CD GLU A 65 -8.598 0.482 13.185 1.00 0.00 C ATOM 1049 OE1 GLU A 65 -7.818 1.321 12.767 1.00 0.00 O ATOM 1050 OE2 GLU A 65 -9.794 0.675 13.332 1.00 0.00 O ATOM 0 H GLU A 65 -9.671 -2.958 13.368 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.574 -1.013 11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.325 -2.651 12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.129 -1.162 11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.744 -1.423 14.195 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.112 -0.792 14.101 1.00 0.00 H new ATOM 1057 N ARG A 66 -8.567 -4.089 10.560 1.00 0.00 N ATOM 1058 CA ARG A 66 -8.287 -5.008 9.420 1.00 0.00 C ATOM 1059 C ARG A 66 -9.395 -4.877 8.363 1.00 0.00 C ATOM 1060 O ARG A 66 -9.138 -4.935 7.177 1.00 0.00 O ATOM 1061 CB ARG A 66 -8.223 -6.465 9.946 1.00 0.00 C ATOM 1062 CG ARG A 66 -6.764 -6.896 10.168 1.00 0.00 C ATOM 1063 CD ARG A 66 -6.730 -8.344 10.657 1.00 0.00 C ATOM 1064 NE ARG A 66 -5.317 -8.766 10.866 1.00 0.00 N ATOM 1065 CZ ARG A 66 -5.051 -9.839 11.561 1.00 0.00 C ATOM 1066 NH1 ARG A 66 -6.025 -10.539 12.077 1.00 0.00 N ATOM 1067 NH2 ARG A 66 -3.814 -10.210 11.741 1.00 0.00 N ATOM 0 H ARG A 66 -8.494 -4.513 11.485 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.333 -4.746 8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.778 -6.545 10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.702 -7.136 9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.200 -6.801 9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.288 -6.243 10.899 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.290 -8.438 11.588 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.211 -8.996 9.928 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.557 -8.216 10.466 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.992 -10.247 11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.818 -11.377 12.620 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.054 -9.662 11.339 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.607 -11.048 12.284 1.00 0.00 H new ATOM 1081 N LEU A 67 -10.624 -4.722 8.779 1.00 0.00 N ATOM 1082 CA LEU A 67 -11.738 -4.614 7.792 1.00 0.00 C ATOM 1083 C LEU A 67 -11.839 -3.164 7.273 1.00 0.00 C ATOM 1084 O LEU A 67 -12.202 -2.929 6.139 1.00 0.00 O ATOM 1085 CB LEU A 67 -13.051 -5.095 8.485 1.00 0.00 C ATOM 1086 CG LEU A 67 -14.161 -4.024 8.481 1.00 0.00 C ATOM 1087 CD1 LEU A 67 -14.627 -3.722 7.031 1.00 0.00 C ATOM 1088 CD2 LEU A 67 -15.339 -4.541 9.321 1.00 0.00 C ATOM 0 H LEU A 67 -10.904 -4.666 9.758 1.00 0.00 H new ATOM 0 HA LEU A 67 -11.557 -5.246 6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.415 -5.990 7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.830 -5.377 9.514 1.00 0.00 H new ATOM 0 HG LEU A 67 -13.776 -3.097 8.907 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.410 -2.964 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.783 -3.356 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -15.016 -4.633 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.134 -3.796 9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.715 -5.468 8.889 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -15.004 -4.726 10.342 1.00 0.00 H new ATOM 1100 N ARG A 68 -11.534 -2.198 8.098 1.00 0.00 N ATOM 1101 CA ARG A 68 -11.635 -0.776 7.650 1.00 0.00 C ATOM 1102 C ARG A 68 -10.640 -0.512 6.514 1.00 0.00 C ATOM 1103 O ARG A 68 -10.940 0.193 5.571 1.00 0.00 O ATOM 1104 CB ARG A 68 -11.335 0.155 8.836 1.00 0.00 C ATOM 1105 CG ARG A 68 -11.307 1.625 8.384 1.00 0.00 C ATOM 1106 CD ARG A 68 -12.618 2.006 7.676 1.00 0.00 C ATOM 1107 NE ARG A 68 -13.765 1.273 8.286 1.00 0.00 N ATOM 1108 CZ ARG A 68 -14.986 1.674 8.062 1.00 0.00 C ATOM 1109 NH1 ARG A 68 -15.203 2.717 7.307 1.00 0.00 N ATOM 1110 NH2 ARG A 68 -15.991 1.033 8.595 1.00 0.00 N ATOM 0 H ARG A 68 -11.220 -2.330 9.060 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.644 -0.584 7.285 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -12.092 0.022 9.609 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.376 -0.112 9.280 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.154 2.272 9.247 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.465 1.787 7.711 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.782 3.081 7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.549 1.769 6.614 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.595 0.460 8.877 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.418 3.219 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.158 3.030 7.132 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.821 0.219 9.186 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.946 1.346 8.420 1.00 0.00 H new ATOM 1124 N MET A 69 -9.463 -1.072 6.589 1.00 0.00 N ATOM 1125 CA MET A 69 -8.459 -0.849 5.506 1.00 0.00 C ATOM 1126 C MET A 69 -8.726 -1.831 4.358 1.00 0.00 C ATOM 1127 O MET A 69 -8.840 -1.437 3.214 1.00 0.00 O ATOM 1128 CB MET A 69 -7.035 -1.038 6.057 1.00 0.00 C ATOM 1129 CG MET A 69 -6.931 -0.488 7.494 1.00 0.00 C ATOM 1130 SD MET A 69 -5.245 0.097 7.798 1.00 0.00 S ATOM 1131 CE MET A 69 -5.376 0.245 9.596 1.00 0.00 C ATOM 0 H MET A 69 -9.152 -1.674 7.352 1.00 0.00 H new ATOM 0 HA MET A 69 -8.548 0.171 5.132 1.00 0.00 H new ATOM 0 HB2 MET A 69 -6.773 -2.096 6.047 1.00 0.00 H new ATOM 0 HB3 MET A 69 -6.319 -0.526 5.413 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.641 0.327 7.635 1.00 0.00 H new ATOM 0 HG3 MET A 69 -7.192 -1.266 8.212 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.490 0.747 9.985 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.263 0.826 9.850 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.454 -0.748 10.038 1.00 0.00 H new ATOM 1141 N ARG A 70 -8.845 -3.094 4.643 1.00 0.00 N ATOM 1142 CA ARG A 70 -9.123 -4.076 3.557 1.00 0.00 C ATOM 1143 C ARG A 70 -10.327 -3.605 2.725 1.00 0.00 C ATOM 1144 O ARG A 70 -10.341 -3.736 1.518 1.00 0.00 O ATOM 1145 CB ARG A 70 -9.432 -5.442 4.196 1.00 0.00 C ATOM 1146 CG ARG A 70 -10.080 -6.388 3.174 1.00 0.00 C ATOM 1147 CD ARG A 70 -10.155 -7.799 3.764 1.00 0.00 C ATOM 1148 NE ARG A 70 -11.025 -7.784 4.972 1.00 0.00 N ATOM 1149 CZ ARG A 70 -11.482 -8.903 5.461 1.00 0.00 C ATOM 1150 NH1 ARG A 70 -11.177 -10.037 4.891 1.00 0.00 N ATOM 1151 NH2 ARG A 70 -12.245 -8.889 6.520 1.00 0.00 N ATOM 0 H ARG A 70 -8.762 -3.491 5.579 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.256 -4.161 2.902 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.513 -5.886 4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.099 -5.308 5.048 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -11.079 -6.035 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.499 -6.398 2.252 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.553 -8.494 3.024 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.157 -8.149 4.026 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.264 -6.898 5.417 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.581 -10.048 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.534 -10.912 5.273 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.484 -8.003 6.965 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.603 -9.764 6.903 1.00 0.00 H new ATOM 1165 N GLU A 71 -11.348 -3.090 3.354 1.00 0.00 N ATOM 1166 CA GLU A 71 -12.546 -2.658 2.594 1.00 0.00 C ATOM 1167 C GLU A 71 -12.284 -1.342 1.847 1.00 0.00 C ATOM 1168 O GLU A 71 -12.513 -1.242 0.659 1.00 0.00 O ATOM 1169 CB GLU A 71 -13.694 -2.469 3.579 1.00 0.00 C ATOM 1170 CG GLU A 71 -15.002 -2.354 2.814 1.00 0.00 C ATOM 1171 CD GLU A 71 -15.394 -3.724 2.258 1.00 0.00 C ATOM 1172 OE1 GLU A 71 -15.653 -4.612 3.054 1.00 0.00 O ATOM 1173 OE2 GLU A 71 -15.429 -3.862 1.047 1.00 0.00 O ATOM 0 H GLU A 71 -11.400 -2.951 4.363 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.794 -3.418 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.737 -3.311 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.530 -1.573 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.787 -1.979 3.470 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.897 -1.637 2.000 1.00 0.00 H new ATOM 1180 N HIS A 72 -11.817 -0.330 2.528 1.00 0.00 N ATOM 1181 CA HIS A 72 -11.557 0.972 1.840 1.00 0.00 C ATOM 1182 C HIS A 72 -10.603 0.761 0.658 1.00 0.00 C ATOM 1183 O HIS A 72 -10.741 1.392 -0.371 1.00 0.00 O ATOM 1184 CB HIS A 72 -10.943 1.971 2.828 1.00 0.00 C ATOM 1185 CG HIS A 72 -11.066 3.369 2.280 1.00 0.00 C ATOM 1186 ND1 HIS A 72 -12.203 4.139 2.464 1.00 0.00 N ATOM 1187 CD2 HIS A 72 -10.201 4.146 1.551 1.00 0.00 C ATOM 1188 CE1 HIS A 72 -11.994 5.321 1.857 1.00 0.00 C ATOM 1189 NE2 HIS A 72 -10.789 5.378 1.285 1.00 0.00 N ATOM 0 H HIS A 72 -11.605 -0.346 3.526 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.502 1.369 1.469 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.449 1.902 3.791 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.894 1.729 3.000 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.214 3.846 1.232 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.714 6.126 1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -10.386 6.157 0.765 1.00 0.00 H new ATOM 1197 N VAL A 73 -9.639 -0.109 0.781 1.00 0.00 N ATOM 1198 CA VAL A 73 -8.701 -0.322 -0.361 1.00 0.00 C ATOM 1199 C VAL A 73 -9.390 -1.148 -1.451 1.00 0.00 C ATOM 1200 O VAL A 73 -9.464 -0.745 -2.595 1.00 0.00 O ATOM 1201 CB VAL A 73 -7.454 -1.068 0.126 1.00 0.00 C ATOM 1202 CG1 VAL A 73 -6.584 -1.446 -1.078 1.00 0.00 C ATOM 1203 CG2 VAL A 73 -6.657 -0.165 1.077 1.00 0.00 C ATOM 0 H VAL A 73 -9.460 -0.676 1.610 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.411 0.647 -0.768 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.753 -1.973 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.697 -1.977 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.153 -2.088 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -6.283 -0.542 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.770 -0.695 1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.356 0.741 0.551 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.278 0.101 1.932 1.00 0.00 H new ATOM 1213 N MET A 74 -9.892 -2.300 -1.105 1.00 0.00 N ATOM 1214 CA MET A 74 -10.572 -3.152 -2.120 1.00 0.00 C ATOM 1215 C MET A 74 -11.800 -2.426 -2.670 1.00 0.00 C ATOM 1216 O MET A 74 -12.313 -2.776 -3.710 1.00 0.00 O ATOM 1217 CB MET A 74 -11.000 -4.482 -1.489 1.00 0.00 C ATOM 1218 CG MET A 74 -9.770 -5.358 -1.213 1.00 0.00 C ATOM 1219 SD MET A 74 -10.288 -7.083 -1.031 1.00 0.00 S ATOM 1220 CE MET A 74 -10.124 -7.557 -2.771 1.00 0.00 C ATOM 0 H MET A 74 -9.861 -2.689 -0.163 1.00 0.00 H new ATOM 0 HA MET A 74 -9.876 -3.351 -2.935 1.00 0.00 H new ATOM 0 HB2 MET A 74 -11.538 -4.295 -0.560 1.00 0.00 H new ATOM 0 HB3 MET A 74 -11.686 -5.005 -2.155 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.054 -5.266 -2.030 1.00 0.00 H new ATOM 0 HG3 MET A 74 -9.266 -5.021 -0.307 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.243 -8.636 -2.867 1.00 0.00 H new ATOM 0 HE2 MET A 74 -10.891 -7.054 -3.359 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.139 -7.267 -3.136 1.00 0.00 H new ATOM 1230 N LYS A 75 -12.288 -1.426 -1.992 1.00 0.00 N ATOM 1231 CA LYS A 75 -13.489 -0.695 -2.501 1.00 0.00 C ATOM 1232 C LYS A 75 -13.050 0.527 -3.318 1.00 0.00 C ATOM 1233 O LYS A 75 -13.675 0.878 -4.298 1.00 0.00 O ATOM 1234 CB LYS A 75 -14.336 -0.236 -1.307 1.00 0.00 C ATOM 1235 CG LYS A 75 -15.503 0.648 -1.780 1.00 0.00 C ATOM 1236 CD LYS A 75 -16.360 1.065 -0.571 1.00 0.00 C ATOM 1237 CE LYS A 75 -17.085 2.372 -0.876 1.00 0.00 C ATOM 1238 NZ LYS A 75 -17.756 2.274 -2.203 1.00 0.00 N ATOM 0 H LYS A 75 -11.911 -1.081 -1.109 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.074 -1.356 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.723 -1.104 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.714 0.319 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.119 1.532 -2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.114 0.105 -2.501 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.083 0.283 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.729 1.186 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.821 2.581 -0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.377 3.201 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -18.517 2.981 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.062 2.451 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.159 1.322 -2.319 1.00 0.00 H new ATOM 1252 N ASN A 76 -12.004 1.200 -2.904 1.00 0.00 N ATOM 1253 CA ASN A 76 -11.556 2.427 -3.641 1.00 0.00 C ATOM 1254 C ASN A 76 -10.396 2.129 -4.608 1.00 0.00 C ATOM 1255 O ASN A 76 -10.072 2.964 -5.427 1.00 0.00 O ATOM 1256 CB ASN A 76 -11.134 3.502 -2.629 1.00 0.00 C ATOM 1257 CG ASN A 76 -12.254 3.710 -1.608 1.00 0.00 C ATOM 1258 OD1 ASN A 76 -11.996 3.875 -0.432 1.00 0.00 O ATOM 1259 ND2 ASN A 76 -13.497 3.708 -2.008 1.00 0.00 N ATOM 0 H ASN A 76 -11.441 0.955 -2.090 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.393 2.785 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.217 3.200 -2.122 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.919 4.438 -3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.250 3.845 -1.334 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.715 3.570 -2.995 1.00 0.00 H new ATOM 1266 N VAL A 77 -9.772 0.965 -4.555 1.00 0.00 N ATOM 1267 CA VAL A 77 -8.648 0.675 -5.521 1.00 0.00 C ATOM 1268 C VAL A 77 -9.079 -0.409 -6.512 1.00 0.00 C ATOM 1269 O VAL A 77 -8.731 -0.350 -7.662 1.00 0.00 O ATOM 1270 CB VAL A 77 -7.386 0.236 -4.775 1.00 0.00 C ATOM 1271 CG1 VAL A 77 -6.343 -0.255 -5.792 1.00 0.00 C ATOM 1272 CG2 VAL A 77 -6.813 1.440 -4.018 1.00 0.00 C ATOM 0 H VAL A 77 -9.987 0.216 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.419 1.590 -6.067 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.628 -0.566 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.442 -0.569 -5.266 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.749 -1.098 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.098 0.553 -6.481 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.913 1.138 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.566 2.231 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.552 1.808 -3.307 1.00 0.00 H new ATOM 1282 N ASP A 78 -9.850 -1.376 -6.104 1.00 0.00 N ATOM 1283 CA ASP A 78 -10.303 -2.406 -7.090 1.00 0.00 C ATOM 1284 C ASP A 78 -11.044 -1.691 -8.217 1.00 0.00 C ATOM 1285 O ASP A 78 -12.119 -1.161 -8.027 1.00 0.00 O ATOM 1286 CB ASP A 78 -11.255 -3.392 -6.423 1.00 0.00 C ATOM 1287 CG ASP A 78 -10.521 -4.154 -5.321 1.00 0.00 C ATOM 1288 OD1 ASP A 78 -9.304 -4.075 -5.283 1.00 0.00 O ATOM 1289 OD2 ASP A 78 -11.187 -4.804 -4.532 1.00 0.00 O ATOM 0 H ASP A 78 -10.184 -1.501 -5.148 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.440 -2.951 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.109 -2.860 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.647 -4.091 -7.162 1.00 0.00 H new ATOM 1294 N THR A 79 -10.459 -1.636 -9.386 1.00 0.00 N ATOM 1295 CA THR A 79 -11.112 -0.916 -10.518 1.00 0.00 C ATOM 1296 C THR A 79 -12.107 -1.825 -11.250 1.00 0.00 C ATOM 1297 O THR A 79 -13.263 -1.484 -11.404 1.00 0.00 O ATOM 1298 CB THR A 79 -10.041 -0.398 -11.512 1.00 0.00 C ATOM 1299 OG1 THR A 79 -10.068 -1.163 -12.708 1.00 0.00 O ATOM 1300 CG2 THR A 79 -8.632 -0.460 -10.890 1.00 0.00 C ATOM 0 H THR A 79 -9.557 -2.059 -9.605 1.00 0.00 H new ATOM 0 HA THR A 79 -11.660 -0.069 -10.107 1.00 0.00 H new ATOM 0 HB THR A 79 -10.274 0.642 -11.742 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.267 -0.576 -13.467 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.900 -0.091 -11.609 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.603 0.158 -9.993 1.00 0.00 H new ATOM 0 HG23 THR A 79 -8.395 -1.491 -10.628 1.00 0.00 H new ATOM 1308 N ASN A 80 -11.672 -2.965 -11.708 1.00 0.00 N ATOM 1309 CA ASN A 80 -12.595 -3.896 -12.446 1.00 0.00 C ATOM 1310 C ASN A 80 -13.033 -5.028 -11.519 1.00 0.00 C ATOM 1311 O ASN A 80 -13.412 -6.093 -11.960 1.00 0.00 O ATOM 1312 CB ASN A 80 -11.890 -4.477 -13.672 1.00 0.00 C ATOM 1313 CG ASN A 80 -11.399 -3.339 -14.568 1.00 0.00 C ATOM 1314 OD1 ASN A 80 -10.258 -3.329 -14.987 1.00 0.00 O ATOM 1315 ND2 ASN A 80 -12.218 -2.374 -14.881 1.00 0.00 N ATOM 0 H ASN A 80 -10.714 -3.301 -11.607 1.00 0.00 H new ATOM 0 HA ASN A 80 -13.471 -3.337 -12.775 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.049 -5.097 -13.361 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -12.573 -5.121 -14.226 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -11.901 -1.610 -15.478 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.175 -2.383 -14.529 1.00 0.00 H new ATOM 1322 N GLN A 81 -13.009 -4.774 -10.241 1.00 0.00 N ATOM 1323 CA GLN A 81 -13.442 -5.785 -9.230 1.00 0.00 C ATOM 1324 C GLN A 81 -13.106 -7.217 -9.666 1.00 0.00 C ATOM 1325 O GLN A 81 -13.771 -8.159 -9.282 1.00 0.00 O ATOM 1326 CB GLN A 81 -14.956 -5.659 -9.001 1.00 0.00 C ATOM 1327 CG GLN A 81 -15.249 -4.449 -8.104 1.00 0.00 C ATOM 1328 CD GLN A 81 -14.948 -4.804 -6.644 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -15.313 -4.076 -5.744 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -14.294 -5.901 -6.372 1.00 0.00 N ATOM 0 H GLN A 81 -12.700 -3.887 -9.843 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.899 -5.586 -8.306 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -15.469 -5.547 -9.956 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -15.339 -6.568 -8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.642 -3.599 -8.414 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -16.292 -4.151 -8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.987 -6.513 -7.128 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.090 -6.146 -5.403 1.00 0.00 H new ATOM 1339 N ASP A 82 -12.072 -7.398 -10.430 1.00 0.00 N ATOM 1340 CA ASP A 82 -11.694 -8.778 -10.845 1.00 0.00 C ATOM 1341 C ASP A 82 -10.910 -9.397 -9.695 1.00 0.00 C ATOM 1342 O ASP A 82 -10.300 -10.440 -9.818 1.00 0.00 O ATOM 1343 CB ASP A 82 -10.816 -8.719 -12.096 1.00 0.00 C ATOM 1344 CG ASP A 82 -9.652 -7.755 -11.859 1.00 0.00 C ATOM 1345 OD1 ASP A 82 -9.751 -6.950 -10.948 1.00 0.00 O ATOM 1346 OD2 ASP A 82 -8.682 -7.837 -12.595 1.00 0.00 O ATOM 0 H ASP A 82 -11.471 -6.655 -10.786 1.00 0.00 H new ATOM 0 HA ASP A 82 -12.580 -9.371 -11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.436 -9.713 -12.334 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -11.406 -8.390 -12.952 1.00 0.00 H new ATOM 1351 N ARG A 83 -10.915 -8.721 -8.579 1.00 0.00 N ATOM 1352 CA ARG A 83 -10.167 -9.194 -7.381 1.00 0.00 C ATOM 1353 C ARG A 83 -8.672 -9.128 -7.688 1.00 0.00 C ATOM 1354 O ARG A 83 -7.837 -9.344 -6.833 1.00 0.00 O ATOM 1355 CB ARG A 83 -10.576 -10.626 -7.009 1.00 0.00 C ATOM 1356 CG ARG A 83 -12.105 -10.782 -7.142 1.00 0.00 C ATOM 1357 CD ARG A 83 -12.586 -11.961 -6.288 1.00 0.00 C ATOM 1358 NE ARG A 83 -11.624 -13.107 -6.407 1.00 0.00 N ATOM 1359 CZ ARG A 83 -11.305 -13.614 -7.567 1.00 0.00 C ATOM 1360 NH1 ARG A 83 -11.948 -13.257 -8.646 1.00 0.00 N ATOM 1361 NH2 ARG A 83 -10.373 -14.524 -7.641 1.00 0.00 N ATOM 0 H ARG A 83 -11.417 -7.843 -8.445 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.401 -8.555 -6.529 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.070 -11.339 -7.660 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.265 -10.850 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.602 -9.865 -6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -12.373 -10.945 -8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.672 -11.654 -5.246 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.579 -12.274 -6.611 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.210 -13.499 -5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.706 -12.577 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.692 -13.658 -9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.897 -14.836 -6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.120 -14.923 -8.545 1.00 0.00 H new ATOM 1375 N LEU A 84 -8.336 -8.800 -8.909 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.908 -8.675 -9.317 1.00 0.00 C ATOM 1377 C LEU A 84 -6.669 -7.224 -9.718 1.00 0.00 C ATOM 1378 O LEU A 84 -7.468 -6.625 -10.411 1.00 0.00 O ATOM 1379 CB LEU A 84 -6.630 -9.582 -10.523 1.00 0.00 C ATOM 1380 CG LEU A 84 -6.991 -11.053 -10.190 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -7.262 -11.819 -11.491 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -5.839 -11.750 -9.427 1.00 0.00 C ATOM 0 H LEU A 84 -9.006 -8.610 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.252 -8.968 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -7.211 -9.244 -11.381 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.579 -9.514 -10.803 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.879 -11.052 -9.558 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -7.516 -12.853 -11.258 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.092 -11.352 -12.022 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.371 -11.797 -12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.119 -12.780 -9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.939 -11.743 -10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.646 -11.219 -8.495 1.00 0.00 H new ATOM 1394 N VAL A 85 -5.588 -6.648 -9.268 1.00 0.00 N ATOM 1395 CA VAL A 85 -5.294 -5.215 -9.593 1.00 0.00 C ATOM 1396 C VAL A 85 -4.086 -5.129 -10.523 1.00 0.00 C ATOM 1397 O VAL A 85 -3.050 -5.700 -10.244 1.00 0.00 O ATOM 1398 CB VAL A 85 -4.966 -4.473 -8.294 1.00 0.00 C ATOM 1399 CG1 VAL A 85 -4.535 -3.044 -8.625 1.00 0.00 C ATOM 1400 CG2 VAL A 85 -6.205 -4.439 -7.393 1.00 0.00 C ATOM 0 H VAL A 85 -4.889 -7.108 -8.685 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.161 -4.770 -10.082 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.158 -4.988 -7.774 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.300 -2.512 -7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.652 -3.069 -9.264 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.344 -2.531 -9.144 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.969 -3.911 -6.469 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.016 -3.924 -7.909 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.513 -5.458 -7.159 1.00 0.00 H new ATOM 1410 N THR A 86 -4.195 -4.401 -11.613 1.00 0.00 N ATOM 1411 CA THR A 86 -3.026 -4.262 -12.543 1.00 0.00 C ATOM 1412 C THR A 86 -2.429 -2.865 -12.369 1.00 0.00 C ATOM 1413 O THR A 86 -3.081 -1.965 -11.886 1.00 0.00 O ATOM 1414 CB THR A 86 -3.474 -4.458 -13.987 1.00 0.00 C ATOM 1415 OG1 THR A 86 -4.282 -3.361 -14.390 1.00 0.00 O ATOM 1416 CG2 THR A 86 -4.270 -5.755 -14.105 1.00 0.00 C ATOM 0 H THR A 86 -5.037 -3.901 -11.897 1.00 0.00 H new ATOM 0 HA THR A 86 -2.279 -5.020 -12.309 1.00 0.00 H new ATOM 0 HB THR A 86 -2.597 -4.514 -14.632 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.435 -3.405 -15.357 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.589 -5.893 -15.138 1.00 0.00 H new ATOM 0 HG22 THR A 86 -3.644 -6.595 -13.803 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.146 -5.704 -13.458 1.00 0.00 H new ATOM 1424 N LEU A 87 -1.205 -2.677 -12.766 1.00 0.00 N ATOM 1425 CA LEU A 87 -0.568 -1.335 -12.631 1.00 0.00 C ATOM 1426 C LEU A 87 -1.364 -0.315 -13.448 1.00 0.00 C ATOM 1427 O LEU A 87 -1.498 0.831 -13.073 1.00 0.00 O ATOM 1428 CB LEU A 87 0.871 -1.418 -13.183 1.00 0.00 C ATOM 1429 CG LEU A 87 1.552 -0.012 -13.262 1.00 0.00 C ATOM 1430 CD1 LEU A 87 2.358 0.268 -11.990 1.00 0.00 C ATOM 1431 CD2 LEU A 87 2.492 0.046 -14.476 1.00 0.00 C ATOM 0 H LEU A 87 -0.613 -3.397 -13.181 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.552 -1.029 -11.585 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.466 -2.073 -12.547 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.853 -1.868 -14.176 1.00 0.00 H new ATOM 0 HG LEU A 87 0.771 0.742 -13.363 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.824 1.250 -12.064 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.694 0.245 -11.126 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.130 -0.492 -11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.963 1.028 -14.525 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.261 -0.721 -14.378 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.920 -0.128 -15.388 1.00 0.00 H new ATOM 1443 N GLU A 88 -1.862 -0.716 -14.574 1.00 0.00 N ATOM 1444 CA GLU A 88 -2.608 0.236 -15.442 1.00 0.00 C ATOM 1445 C GLU A 88 -3.835 0.810 -14.722 1.00 0.00 C ATOM 1446 O GLU A 88 -3.891 1.985 -14.401 1.00 0.00 O ATOM 1447 CB GLU A 88 -3.069 -0.508 -16.697 1.00 0.00 C ATOM 1448 CG GLU A 88 -1.846 -1.018 -17.463 1.00 0.00 C ATOM 1449 CD GLU A 88 -2.294 -1.643 -18.786 1.00 0.00 C ATOM 1450 OE1 GLU A 88 -2.789 -2.758 -18.754 1.00 0.00 O ATOM 1451 OE2 GLU A 88 -2.132 -0.997 -19.807 1.00 0.00 O ATOM 0 H GLU A 88 -1.787 -1.666 -14.937 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.947 1.064 -15.698 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -3.714 -1.343 -16.422 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.658 0.155 -17.330 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.154 -0.197 -17.653 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.310 -1.754 -16.864 1.00 0.00 H new ATOM 1458 N GLU A 89 -4.828 0.000 -14.490 1.00 0.00 N ATOM 1459 CA GLU A 89 -6.063 0.502 -13.827 1.00 0.00 C ATOM 1460 C GLU A 89 -5.733 1.055 -12.432 1.00 0.00 C ATOM 1461 O GLU A 89 -6.386 1.957 -11.946 1.00 0.00 O ATOM 1462 CB GLU A 89 -7.097 -0.638 -13.723 1.00 0.00 C ATOM 1463 CG GLU A 89 -7.054 -1.500 -14.995 1.00 0.00 C ATOM 1464 CD GLU A 89 -7.178 -0.600 -16.227 1.00 0.00 C ATOM 1465 OE1 GLU A 89 -8.046 0.257 -16.225 1.00 0.00 O ATOM 1466 OE2 GLU A 89 -6.402 -0.783 -17.150 1.00 0.00 O ATOM 0 H GLU A 89 -4.838 -0.991 -14.731 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.485 1.310 -14.425 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.886 -1.254 -12.849 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.096 -0.224 -13.587 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.121 -2.062 -15.035 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.865 -2.229 -14.981 1.00 0.00 H new ATOM 1473 N PHE A 90 -4.733 0.526 -11.781 1.00 0.00 N ATOM 1474 CA PHE A 90 -4.380 1.028 -10.418 1.00 0.00 C ATOM 1475 C PHE A 90 -3.904 2.485 -10.505 1.00 0.00 C ATOM 1476 O PHE A 90 -4.396 3.351 -9.806 1.00 0.00 O ATOM 1477 CB PHE A 90 -3.271 0.143 -9.840 1.00 0.00 C ATOM 1478 CG PHE A 90 -2.540 0.856 -8.719 1.00 0.00 C ATOM 1479 CD1 PHE A 90 -3.090 0.897 -7.433 1.00 0.00 C ATOM 1480 CD2 PHE A 90 -1.317 1.484 -8.979 1.00 0.00 C ATOM 1481 CE1 PHE A 90 -2.413 1.565 -6.405 1.00 0.00 C ATOM 1482 CE2 PHE A 90 -0.639 2.150 -7.952 1.00 0.00 C ATOM 1483 CZ PHE A 90 -1.187 2.191 -6.666 1.00 0.00 C ATOM 0 H PHE A 90 -4.145 -0.230 -12.131 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.255 0.989 -9.769 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.700 -0.787 -9.467 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.566 -0.124 -10.627 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -4.035 0.414 -7.233 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.896 1.455 -9.973 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.836 1.598 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.307 2.632 -8.152 1.00 0.00 H new ATOM 0 HZ PHE A 90 -0.665 2.706 -5.873 1.00 0.00 H new ATOM 1493 N LEU A 91 -2.960 2.764 -11.360 1.00 0.00 N ATOM 1494 CA LEU A 91 -2.463 4.163 -11.494 1.00 0.00 C ATOM 1495 C LEU A 91 -3.655 5.113 -11.618 1.00 0.00 C ATOM 1496 O LEU A 91 -3.701 6.154 -10.992 1.00 0.00 O ATOM 1497 CB LEU A 91 -1.590 4.267 -12.749 1.00 0.00 C ATOM 1498 CG LEU A 91 -0.217 3.613 -12.487 1.00 0.00 C ATOM 1499 CD1 LEU A 91 0.538 3.485 -13.815 1.00 0.00 C ATOM 1500 CD2 LEU A 91 0.615 4.459 -11.493 1.00 0.00 C ATOM 0 H LEU A 91 -2.510 2.084 -11.973 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.875 4.433 -10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.083 3.775 -13.588 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.458 5.313 -13.025 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.373 2.627 -12.049 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.510 3.024 -13.638 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.038 2.866 -14.503 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.680 4.474 -14.250 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.579 3.978 -11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.774 5.455 -11.907 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.079 4.541 -10.547 1.00 0.00 H new ATOM 1512 N ALA A 92 -4.618 4.762 -12.425 1.00 0.00 N ATOM 1513 CA ALA A 92 -5.810 5.643 -12.596 1.00 0.00 C ATOM 1514 C ALA A 92 -6.453 5.948 -11.235 1.00 0.00 C ATOM 1515 O ALA A 92 -6.578 7.089 -10.838 1.00 0.00 O ATOM 1516 CB ALA A 92 -6.842 4.931 -13.470 1.00 0.00 C ATOM 0 H ALA A 92 -4.632 3.903 -12.974 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.490 6.575 -13.062 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.715 5.571 -13.597 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.406 4.714 -14.445 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.143 3.999 -12.992 1.00 0.00 H new ATOM 1522 N SER A 93 -6.891 4.932 -10.539 1.00 0.00 N ATOM 1523 CA SER A 93 -7.564 5.141 -9.223 1.00 0.00 C ATOM 1524 C SER A 93 -6.837 6.196 -8.387 1.00 0.00 C ATOM 1525 O SER A 93 -7.457 6.954 -7.668 1.00 0.00 O ATOM 1526 CB SER A 93 -7.595 3.822 -8.453 1.00 0.00 C ATOM 1527 OG SER A 93 -8.021 4.068 -7.120 1.00 0.00 O ATOM 0 H SER A 93 -6.810 3.957 -10.829 1.00 0.00 H new ATOM 0 HA SER A 93 -8.578 5.492 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.271 3.119 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.606 3.364 -8.453 1.00 0.00 H new ATOM 0 HG SER A 93 -8.809 3.520 -6.922 1.00 0.00 H new ATOM 1533 N THR A 94 -5.533 6.267 -8.465 1.00 0.00 N ATOM 1534 CA THR A 94 -4.812 7.296 -7.653 1.00 0.00 C ATOM 1535 C THR A 94 -4.817 8.619 -8.419 1.00 0.00 C ATOM 1536 O THR A 94 -5.197 9.646 -7.894 1.00 0.00 O ATOM 1537 CB THR A 94 -3.374 6.848 -7.374 1.00 0.00 C ATOM 1538 OG1 THR A 94 -2.650 6.797 -8.596 1.00 0.00 O ATOM 1539 CG2 THR A 94 -3.383 5.463 -6.726 1.00 0.00 C ATOM 0 H THR A 94 -4.944 5.669 -9.044 1.00 0.00 H new ATOM 0 HA THR A 94 -5.316 7.424 -6.695 1.00 0.00 H new ATOM 0 HB THR A 94 -2.898 7.558 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.183 6.330 -9.273 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.359 5.147 -6.529 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.937 5.504 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.860 4.750 -7.398 1.00 0.00 H new ATOM 1547 N GLN A 95 -4.418 8.607 -9.659 1.00 0.00 N ATOM 1548 CA GLN A 95 -4.427 9.870 -10.446 1.00 0.00 C ATOM 1549 C GLN A 95 -5.823 10.493 -10.359 1.00 0.00 C ATOM 1550 O GLN A 95 -6.814 9.851 -10.644 1.00 0.00 O ATOM 1551 CB GLN A 95 -4.094 9.564 -11.908 1.00 0.00 C ATOM 1552 CG GLN A 95 -2.655 9.054 -12.005 1.00 0.00 C ATOM 1553 CD GLN A 95 -1.687 10.229 -11.776 1.00 0.00 C ATOM 1554 OE1 GLN A 95 -2.123 11.351 -11.610 1.00 0.00 O ATOM 1555 NE2 GLN A 95 -0.385 10.036 -11.758 1.00 0.00 N ATOM 0 H GLN A 95 -4.088 7.782 -10.160 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.685 10.562 -10.047 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -4.784 8.817 -12.301 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.215 10.461 -12.516 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.482 8.274 -11.263 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.480 8.608 -12.984 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.006 9.099 -11.896 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.245 10.823 -11.606 1.00 0.00 H new ATOM 1564 N ARG A 96 -5.917 11.733 -9.956 1.00 0.00 N ATOM 1565 CA ARG A 96 -7.259 12.379 -9.845 1.00 0.00 C ATOM 1566 C ARG A 96 -7.113 13.899 -10.003 1.00 0.00 C ATOM 1567 O ARG A 96 -7.046 14.632 -9.036 1.00 0.00 O ATOM 1568 CB ARG A 96 -7.865 12.044 -8.470 1.00 0.00 C ATOM 1569 CG ARG A 96 -9.396 12.114 -8.531 1.00 0.00 C ATOM 1570 CD ARG A 96 -9.841 13.544 -8.848 1.00 0.00 C ATOM 1571 NE ARG A 96 -11.278 13.704 -8.484 1.00 0.00 N ATOM 1572 CZ ARG A 96 -11.802 14.895 -8.395 1.00 0.00 C ATOM 1573 NH1 ARG A 96 -11.068 15.950 -8.625 1.00 0.00 N ATOM 1574 NH2 ARG A 96 -13.059 15.031 -8.075 1.00 0.00 N ATOM 0 H ARG A 96 -5.127 12.325 -9.700 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.917 12.006 -10.630 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.552 11.047 -8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.492 12.742 -7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.770 11.430 -9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -9.821 11.794 -7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -9.232 14.258 -8.294 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -9.696 13.756 -9.907 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.852 12.880 -8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.085 15.843 -8.874 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.478 16.881 -8.555 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.631 14.206 -7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.470 15.962 -8.005 1.00 0.00 H new ATOM 1588 N LYS A 97 -7.066 14.375 -11.217 1.00 0.00 N ATOM 1589 CA LYS A 97 -6.928 15.844 -11.440 1.00 0.00 C ATOM 1590 C LYS A 97 -5.717 16.372 -10.667 1.00 0.00 C ATOM 1591 O LYS A 97 -5.771 16.573 -9.470 1.00 0.00 O ATOM 1592 CB LYS A 97 -8.190 16.557 -10.952 1.00 0.00 C ATOM 1593 CG LYS A 97 -8.199 17.998 -11.477 1.00 0.00 C ATOM 1594 CD LYS A 97 -9.504 18.711 -11.069 1.00 0.00 C ATOM 1595 CE LYS A 97 -9.348 19.356 -9.685 1.00 0.00 C ATOM 1596 NZ LYS A 97 -8.224 20.333 -9.717 1.00 0.00 N ATOM 0 H LYS A 97 -7.117 13.811 -12.065 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.790 16.033 -12.504 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.077 16.027 -11.299 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.223 16.555 -9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.341 18.541 -11.081 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.102 17.997 -12.563 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.756 19.473 -11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.327 17.997 -11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.272 19.858 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.157 18.589 -8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.432 21.123 -9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.347 19.863 -9.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.107 20.696 -10.685 1.00 0.00 H new ATOM 1610 N GLU A 98 -4.625 16.603 -11.341 1.00 0.00 N ATOM 1611 CA GLU A 98 -3.415 17.122 -10.644 1.00 0.00 C ATOM 1612 C GLU A 98 -3.752 18.450 -9.964 1.00 0.00 C ATOM 1613 O GLU A 98 -3.630 19.507 -10.551 1.00 0.00 O ATOM 1614 CB GLU A 98 -2.293 17.339 -11.665 1.00 0.00 C ATOM 1615 CG GLU A 98 -1.032 17.837 -10.952 1.00 0.00 C ATOM 1616 CD GLU A 98 0.108 17.963 -11.964 1.00 0.00 C ATOM 1617 OE1 GLU A 98 -0.099 18.600 -12.983 1.00 0.00 O ATOM 1618 OE2 GLU A 98 1.169 17.422 -11.700 1.00 0.00 O ATOM 0 H GLU A 98 -4.518 16.455 -12.344 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.088 16.402 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.081 16.407 -12.190 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.607 18.064 -12.416 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.224 18.801 -10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.753 17.145 -10.158 1.00 0.00 H new ATOM 1625 N PHE A 99 -4.175 18.406 -8.730 1.00 0.00 N ATOM 1626 CA PHE A 99 -4.519 19.669 -8.015 1.00 0.00 C ATOM 1627 C PHE A 99 -3.372 20.670 -8.171 1.00 0.00 C ATOM 1628 O PHE A 99 -3.652 21.856 -8.226 1.00 0.00 O ATOM 1629 CB PHE A 99 -4.740 19.378 -6.527 1.00 0.00 C ATOM 1630 CG PHE A 99 -5.648 18.176 -6.367 1.00 0.00 C ATOM 1631 CD1 PHE A 99 -6.986 18.249 -6.783 1.00 0.00 C ATOM 1632 CD2 PHE A 99 -5.157 16.988 -5.803 1.00 0.00 C ATOM 1633 CE1 PHE A 99 -7.826 17.139 -6.634 1.00 0.00 C ATOM 1634 CE2 PHE A 99 -6.000 15.881 -5.656 1.00 0.00 C ATOM 1635 CZ PHE A 99 -7.334 15.957 -6.073 1.00 0.00 C ATOM 1636 OXT PHE A 99 -2.235 20.233 -8.235 1.00 0.00 O ATOM 0 H PHE A 99 -4.297 17.552 -8.186 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.431 20.087 -8.441 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.784 19.190 -6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.182 20.247 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.368 19.161 -7.218 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.127 16.928 -5.482 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -8.856 17.196 -6.953 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.621 14.968 -5.221 1.00 0.00 H new ATOM 0 HZ PHE A 99 -7.984 15.102 -5.961 1.00 0.00 H new TER 1646 PHE A 99