USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 677 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 4 THR OG1 : rot -96:sc= 1.34 USER MOD Set 1.2: A 7 THR OG1 : rot 89:sc= 0.936 USER MOD Set 2.1: A 1 MET N :NH3+ 149:sc= -0.082 (180deg=0) USER MOD Set 2.2: A 2 GLN : amide:sc= -7.27! C(o=-7.4!,f=-3.4!) USER MOD Single : A 1 MET CE :methyl -139:sc= -0.191 (180deg=-1.34) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 21:sc= -2.61! USER MOD Single : A 15 SER OG : rot 180:sc= -0.657 USER MOD Single : A 19 SER OG : rot 180:sc= -0.289 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.252 K(o=-0.25,f=-1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 70:sc= 1.1 USER MOD Single : A 31 MET CE :methyl 153:sc= -0.18 (180deg=-1.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.603 K(o=-0.6,f=-2.3!) USER MOD Single : A 50 HIS : no HE2:sc= -5.34! C(o=-5.3!,f=-7.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.691 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 131:sc= 0.299! USER MOD Single : A 75 SER OG : rot 19:sc= 1.12 USER MOD Single : A 78 HIS : no HE2:sc= -0.251 K(o=-0.25,f=-1.2) USER MOD Single : A 79 HIS : no HD1:sc= -0.393 K(o=-0.39,f=-1.7) USER MOD Single : A 80 HIS : no HE2:sc= -0.306 K(o=-0.31,f=-2.7) USER MOD Single : A 81 HIS : no HD1:sc= -0.0604 K(o=-0.06,f=-0.56) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.0717 K(o=-0.072,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.356 -16.995 -11.651 1.00 0.00 N ATOM 2 CA MET A 1 -19.852 -16.199 -10.496 1.00 0.00 C ATOM 3 C MET A 1 -18.589 -16.856 -9.947 1.00 0.00 C ATOM 4 O MET A 1 -18.611 -17.472 -8.882 1.00 0.00 O ATOM 5 CB MET A 1 -20.930 -16.144 -9.412 1.00 0.00 C ATOM 6 CG MET A 1 -20.481 -15.209 -8.287 1.00 0.00 C ATOM 7 SD MET A 1 -21.725 -15.208 -6.971 1.00 0.00 S ATOM 8 CE MET A 1 -23.072 -14.457 -7.920 1.00 0.00 C ATOM 0 H1 MET A 1 -21.392 -16.919 -11.699 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.941 -16.630 -12.532 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.087 -17.992 -11.529 1.00 0.00 H new ATOM 0 HA MET A 1 -19.617 -15.184 -10.817 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.870 -15.792 -9.837 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.113 -17.143 -9.017 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.518 -15.534 -7.892 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.343 -14.199 -8.672 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.599 -13.736 -7.295 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.663 -13.950 -8.794 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.766 -15.233 -8.243 1.00 0.00 H new ATOM 20 N GLN A 2 -17.489 -16.719 -10.684 1.00 0.00 N ATOM 21 CA GLN A 2 -16.214 -17.302 -10.268 1.00 0.00 C ATOM 22 C GLN A 2 -15.444 -16.325 -9.382 1.00 0.00 C ATOM 23 O GLN A 2 -14.395 -16.664 -8.834 1.00 0.00 O ATOM 24 CB GLN A 2 -15.379 -17.667 -11.499 1.00 0.00 C ATOM 25 CG GLN A 2 -15.623 -16.647 -12.604 1.00 0.00 C ATOM 26 CD GLN A 2 -16.926 -16.955 -13.337 1.00 0.00 C ATOM 27 OE1 GLN A 2 -17.217 -16.350 -14.370 1.00 0.00 O ATOM 28 NE2 GLN A 2 -17.733 -17.862 -12.860 1.00 0.00 N ATOM 0 H GLN A 2 -17.454 -16.212 -11.568 1.00 0.00 H new ATOM 0 HA GLN A 2 -16.415 -18.206 -9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -14.321 -17.690 -11.239 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -15.644 -18.665 -11.847 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.666 -15.644 -12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -14.791 -16.659 -13.308 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -17.490 -18.362 -12.005 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -18.607 -18.072 -13.342 1.00 0.00 H new ATOM 37 N TYR A 3 -15.971 -15.112 -9.248 1.00 0.00 N ATOM 38 CA TYR A 3 -15.326 -14.091 -8.429 1.00 0.00 C ATOM 39 C TYR A 3 -15.782 -14.222 -6.981 1.00 0.00 C ATOM 40 O TYR A 3 -16.781 -13.626 -6.577 1.00 0.00 O ATOM 41 CB TYR A 3 -15.692 -12.705 -8.960 1.00 0.00 C ATOM 42 CG TYR A 3 -15.306 -12.608 -10.418 1.00 0.00 C ATOM 43 CD1 TYR A 3 -16.114 -13.211 -11.391 1.00 0.00 C ATOM 44 CD2 TYR A 3 -14.151 -11.913 -10.801 1.00 0.00 C ATOM 45 CE1 TYR A 3 -15.768 -13.119 -12.745 1.00 0.00 C ATOM 46 CE2 TYR A 3 -13.806 -11.824 -12.155 1.00 0.00 C ATOM 47 CZ TYR A 3 -14.614 -12.427 -13.127 1.00 0.00 C ATOM 48 OH TYR A 3 -14.273 -12.336 -14.461 1.00 0.00 O ATOM 0 H TYR A 3 -16.838 -14.813 -9.693 1.00 0.00 H new ATOM 0 HA TYR A 3 -14.245 -14.224 -8.475 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.761 -12.529 -8.843 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -15.178 -11.935 -8.384 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -17.004 -13.747 -11.097 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -13.528 -11.447 -10.053 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -16.392 -13.583 -13.494 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -12.915 -11.289 -12.450 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.444 -11.821 -14.552 1.00 0.00 H new ATOM 58 N THR A 4 -15.045 -15.017 -6.208 1.00 0.00 N ATOM 59 CA THR A 4 -15.378 -15.240 -4.799 1.00 0.00 C ATOM 60 C THR A 4 -14.628 -14.235 -3.918 1.00 0.00 C ATOM 61 O THR A 4 -13.588 -13.709 -4.315 1.00 0.00 O ATOM 62 CB THR A 4 -15.005 -16.687 -4.386 1.00 0.00 C ATOM 63 OG1 THR A 4 -13.886 -16.666 -3.509 1.00 0.00 O ATOM 64 CG2 THR A 4 -14.653 -17.516 -5.622 1.00 0.00 C ATOM 0 H THR A 4 -14.216 -15.517 -6.530 1.00 0.00 H new ATOM 0 HA THR A 4 -16.450 -15.100 -4.664 1.00 0.00 H new ATOM 0 HB THR A 4 -15.861 -17.135 -3.881 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.065 -16.817 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 4 -14.393 -18.530 -5.318 1.00 0.00 H new ATOM 0 HG22 THR A 4 -15.510 -17.547 -6.295 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.805 -17.062 -6.135 1.00 0.00 H new ATOM 72 N PRO A 5 -15.131 -13.962 -2.739 1.00 0.00 N ATOM 73 CA PRO A 5 -14.488 -13.000 -1.795 1.00 0.00 C ATOM 74 C PRO A 5 -13.132 -13.501 -1.293 1.00 0.00 C ATOM 75 O PRO A 5 -12.309 -12.717 -0.829 1.00 0.00 O ATOM 76 CB PRO A 5 -15.506 -12.877 -0.645 1.00 0.00 C ATOM 77 CG PRO A 5 -16.302 -14.142 -0.699 1.00 0.00 C ATOM 78 CD PRO A 5 -16.363 -14.536 -2.174 1.00 0.00 C ATOM 0 HA PRO A 5 -14.268 -12.044 -2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -15.005 -12.766 0.316 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -16.144 -12.003 -0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -15.831 -14.925 -0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.302 -13.992 -0.293 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -16.394 -15.618 -2.298 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -17.252 -14.133 -2.660 1.00 0.00 H new ATOM 86 N ASP A 6 -12.897 -14.812 -1.394 1.00 0.00 N ATOM 87 CA ASP A 6 -11.627 -15.396 -0.956 1.00 0.00 C ATOM 88 C ASP A 6 -11.146 -16.406 -1.982 1.00 0.00 C ATOM 89 O ASP A 6 -11.531 -17.575 -1.943 1.00 0.00 O ATOM 90 CB ASP A 6 -11.808 -16.085 0.398 1.00 0.00 C ATOM 91 CG ASP A 6 -11.989 -15.038 1.492 1.00 0.00 C ATOM 92 OD1 ASP A 6 -11.698 -13.883 1.231 1.00 0.00 O ATOM 93 OD2 ASP A 6 -12.415 -15.408 2.574 1.00 0.00 O ATOM 0 H ASP A 6 -13.564 -15.485 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.887 -14.602 -0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -12.675 -16.745 0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.941 -16.708 0.618 1.00 0.00 H new ATOM 98 N THR A 7 -10.308 -15.950 -2.908 1.00 0.00 N ATOM 99 CA THR A 7 -9.784 -16.825 -3.955 1.00 0.00 C ATOM 100 C THR A 7 -8.307 -16.518 -4.210 1.00 0.00 C ATOM 101 O THR A 7 -7.929 -15.361 -4.386 1.00 0.00 O ATOM 102 CB THR A 7 -10.604 -16.610 -5.242 1.00 0.00 C ATOM 103 OG1 THR A 7 -11.900 -16.149 -4.892 1.00 0.00 O ATOM 104 CG2 THR A 7 -10.750 -17.923 -6.012 1.00 0.00 C ATOM 0 H THR A 7 -9.978 -14.986 -2.956 1.00 0.00 H new ATOM 0 HA THR A 7 -9.867 -17.865 -3.639 1.00 0.00 H new ATOM 0 HB THR A 7 -10.088 -15.881 -5.868 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.897 -15.170 -4.844 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.332 -17.751 -6.917 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.763 -18.299 -6.281 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.260 -18.657 -5.387 1.00 0.00 H new ATOM 112 N ALA A 8 -7.481 -17.558 -4.246 1.00 0.00 N ATOM 113 CA ALA A 8 -6.049 -17.377 -4.504 1.00 0.00 C ATOM 114 C ALA A 8 -5.775 -17.552 -5.990 1.00 0.00 C ATOM 115 O ALA A 8 -5.742 -18.673 -6.497 1.00 0.00 O ATOM 116 CB ALA A 8 -5.239 -18.405 -3.711 1.00 0.00 C ATOM 0 H ALA A 8 -7.769 -18.526 -4.102 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.755 -16.375 -4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.177 -18.263 -3.909 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.430 -18.275 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.533 -19.410 -4.012 1.00 0.00 H new ATOM 122 N TRP A 9 -5.593 -16.432 -6.694 1.00 0.00 N ATOM 123 CA TRP A 9 -5.338 -16.463 -8.139 1.00 0.00 C ATOM 124 C TRP A 9 -3.853 -16.263 -8.420 1.00 0.00 C ATOM 125 O TRP A 9 -3.212 -15.389 -7.835 1.00 0.00 O ATOM 126 CB TRP A 9 -6.141 -15.351 -8.837 1.00 0.00 C ATOM 127 CG TRP A 9 -7.575 -15.759 -9.005 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.209 -16.718 -8.292 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.559 -15.236 -9.941 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.516 -16.811 -8.727 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.781 -15.918 -9.741 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.511 -14.242 -10.933 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.915 -15.628 -10.495 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.650 -13.945 -11.697 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.851 -14.636 -11.478 1.00 0.00 C ATOM 0 H TRP A 9 -5.617 -15.496 -6.290 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.647 -17.435 -8.524 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.085 -14.433 -8.252 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.702 -15.135 -9.811 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.765 -17.314 -7.509 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.202 -17.462 -8.344 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.592 -13.703 -11.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.836 -16.165 -10.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.602 -13.180 -12.458 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.725 -14.402 -12.068 1.00 0.00 H new ATOM 146 N LYS A 10 -3.312 -17.072 -9.330 1.00 0.00 N ATOM 147 CA LYS A 10 -1.900 -16.970 -9.695 1.00 0.00 C ATOM 148 C LYS A 10 -1.740 -16.001 -10.860 1.00 0.00 C ATOM 149 O LYS A 10 -2.462 -16.094 -11.849 1.00 0.00 O ATOM 150 CB LYS A 10 -1.356 -18.359 -10.084 1.00 0.00 C ATOM 151 CG LYS A 10 0.138 -18.460 -9.753 1.00 0.00 C ATOM 152 CD LYS A 10 0.617 -19.892 -9.993 1.00 0.00 C ATOM 153 CE LYS A 10 2.096 -19.998 -9.623 1.00 0.00 C ATOM 154 NZ LYS A 10 2.561 -21.398 -9.827 1.00 0.00 N ATOM 0 H LYS A 10 -3.826 -17.801 -9.825 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.335 -16.597 -8.841 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.906 -19.134 -9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.512 -18.532 -11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.706 -17.766 -10.372 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.312 -18.176 -8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.030 -20.589 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.471 -20.166 -11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.685 -19.315 -10.236 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.244 -19.702 -8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.567 -21.470 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.007 -22.039 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.434 -21.664 -10.824 1.00 0.00 H new ATOM 168 N ILE A 11 -0.797 -15.074 -10.739 1.00 0.00 N ATOM 169 CA ILE A 11 -0.567 -14.095 -11.797 1.00 0.00 C ATOM 170 C ILE A 11 0.362 -14.686 -12.851 1.00 0.00 C ATOM 171 O ILE A 11 1.513 -15.011 -12.558 1.00 0.00 O ATOM 172 CB ILE A 11 0.076 -12.833 -11.210 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.725 -12.358 -9.997 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.071 -11.720 -12.261 1.00 0.00 C ATOM 175 CD1 ILE A 11 0.059 -11.268 -9.263 1.00 0.00 C ATOM 0 H ILE A 11 -0.185 -14.979 -9.929 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.523 -13.837 -12.253 1.00 0.00 H new ATOM 0 HB ILE A 11 1.098 -13.065 -10.912 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.693 -11.972 -10.316 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.920 -13.195 -9.326 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.528 -10.823 -11.843 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.637 -12.042 -13.135 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.956 -11.501 -12.554 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.512 -10.929 -8.398 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.017 -11.669 -8.931 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.231 -10.428 -9.936 1.00 0.00 H new ATOM 187 N THR A 12 -0.133 -14.819 -14.082 1.00 0.00 N ATOM 188 CA THR A 12 0.680 -15.371 -15.169 1.00 0.00 C ATOM 189 C THR A 12 1.182 -14.250 -16.072 1.00 0.00 C ATOM 190 O THR A 12 2.152 -14.423 -16.810 1.00 0.00 O ATOM 191 CB THR A 12 -0.149 -16.366 -15.987 1.00 0.00 C ATOM 192 OG1 THR A 12 -1.432 -15.815 -16.233 1.00 0.00 O ATOM 193 CG2 THR A 12 -0.297 -17.675 -15.209 1.00 0.00 C ATOM 0 H THR A 12 -1.081 -14.556 -14.351 1.00 0.00 H new ATOM 0 HA THR A 12 1.538 -15.888 -14.739 1.00 0.00 H new ATOM 0 HB THR A 12 0.353 -16.565 -16.934 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.393 -14.840 -16.138 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.887 -18.381 -15.793 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.689 -18.098 -15.017 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.799 -17.480 -14.261 1.00 0.00 H new ATOM 201 N GLY A 13 0.524 -13.094 -16.002 1.00 0.00 N ATOM 202 CA GLY A 13 0.920 -11.941 -16.811 1.00 0.00 C ATOM 203 C GLY A 13 -0.292 -11.233 -17.398 1.00 0.00 C ATOM 204 O GLY A 13 -1.431 -11.650 -17.195 1.00 0.00 O ATOM 0 H GLY A 13 -0.281 -12.930 -15.397 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.490 -11.243 -16.198 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.578 -12.268 -17.616 1.00 0.00 H new ATOM 208 N PHE A 14 -0.032 -10.157 -18.135 1.00 0.00 N ATOM 209 CA PHE A 14 -1.096 -9.385 -18.766 1.00 0.00 C ATOM 210 C PHE A 14 -1.278 -9.835 -20.214 1.00 0.00 C ATOM 211 O PHE A 14 -0.321 -10.239 -20.874 1.00 0.00 O ATOM 212 CB PHE A 14 -0.752 -7.892 -18.720 1.00 0.00 C ATOM 213 CG PHE A 14 0.736 -7.706 -18.888 1.00 0.00 C ATOM 214 CD1 PHE A 14 1.578 -7.760 -17.773 1.00 0.00 C ATOM 215 CD2 PHE A 14 1.269 -7.466 -20.157 1.00 0.00 C ATOM 216 CE1 PHE A 14 2.956 -7.575 -17.927 1.00 0.00 C ATOM 217 CE2 PHE A 14 2.647 -7.278 -20.313 1.00 0.00 C ATOM 218 CZ PHE A 14 3.491 -7.333 -19.198 1.00 0.00 C ATOM 0 H PHE A 14 0.907 -9.800 -18.310 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.027 -9.552 -18.225 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.286 -7.362 -19.509 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.077 -7.463 -17.772 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.164 -7.945 -16.793 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.618 -7.426 -21.018 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.607 -7.619 -17.066 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.059 -7.091 -21.294 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.555 -7.189 -19.318 1.00 0.00 H new ATOM 228 N SER A 15 -2.513 -9.765 -20.699 1.00 0.00 N ATOM 229 CA SER A 15 -2.810 -10.168 -22.069 1.00 0.00 C ATOM 230 C SER A 15 -2.364 -9.093 -23.052 1.00 0.00 C ATOM 231 O SER A 15 -1.991 -7.991 -22.654 1.00 0.00 O ATOM 232 CB SER A 15 -4.307 -10.415 -22.226 1.00 0.00 C ATOM 233 OG SER A 15 -4.636 -10.443 -23.608 1.00 0.00 O ATOM 0 H SER A 15 -3.319 -9.435 -20.168 1.00 0.00 H new ATOM 0 HA SER A 15 -2.266 -11.088 -22.283 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.583 -11.359 -21.756 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.872 -9.631 -21.722 1.00 0.00 H new ATOM 0 HG SER A 15 -5.597 -10.603 -23.712 1.00 0.00 H new ATOM 239 N ARG A 16 -2.400 -9.424 -24.337 1.00 0.00 N ATOM 240 CA ARG A 16 -1.996 -8.480 -25.371 1.00 0.00 C ATOM 241 C ARG A 16 -2.999 -7.335 -25.472 1.00 0.00 C ATOM 242 O ARG A 16 -2.624 -6.181 -25.678 1.00 0.00 O ATOM 243 CB ARG A 16 -1.902 -9.200 -26.721 1.00 0.00 C ATOM 244 CG ARG A 16 -0.778 -10.255 -26.690 1.00 0.00 C ATOM 245 CD ARG A 16 0.576 -9.609 -27.012 1.00 0.00 C ATOM 246 NE ARG A 16 0.570 -9.076 -28.369 1.00 0.00 N ATOM 247 CZ ARG A 16 1.644 -8.486 -28.878 1.00 0.00 C ATOM 248 NH1 ARG A 16 2.729 -8.375 -28.161 1.00 0.00 N ATOM 249 NH2 ARG A 16 1.614 -8.016 -30.096 1.00 0.00 N ATOM 0 H ARG A 16 -2.703 -10.333 -24.686 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.021 -8.070 -25.106 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.853 -9.679 -26.952 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.709 -8.477 -27.513 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.739 -10.724 -25.707 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.992 -11.044 -27.411 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.784 -8.810 -26.301 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.373 -10.345 -26.906 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.274 -9.158 -28.936 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.751 -8.742 -27.209 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.555 -7.921 -28.552 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.765 -8.103 -30.655 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.439 -7.562 -30.488 1.00 0.00 H new ATOM 263 N GLU A 17 -4.277 -7.668 -25.336 1.00 0.00 N ATOM 264 CA GLU A 17 -5.336 -6.670 -25.424 1.00 0.00 C ATOM 265 C GLU A 17 -5.300 -5.739 -24.214 1.00 0.00 C ATOM 266 O GLU A 17 -5.941 -4.688 -24.205 1.00 0.00 O ATOM 267 CB GLU A 17 -6.694 -7.370 -25.507 1.00 0.00 C ATOM 268 CG GLU A 17 -7.788 -6.346 -25.826 1.00 0.00 C ATOM 269 CD GLU A 17 -9.118 -7.055 -26.058 1.00 0.00 C ATOM 270 OE1 GLU A 17 -9.097 -8.255 -26.273 1.00 0.00 O ATOM 271 OE2 GLU A 17 -10.138 -6.385 -26.022 1.00 0.00 O ATOM 0 H GLU A 17 -4.605 -8.619 -25.165 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.181 -6.071 -26.322 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.669 -8.141 -26.277 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.914 -7.869 -24.563 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.884 -5.637 -25.004 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.513 -5.773 -26.711 1.00 0.00 H new ATOM 278 N ILE A 18 -4.544 -6.130 -23.193 1.00 0.00 N ATOM 279 CA ILE A 18 -4.432 -5.323 -21.979 1.00 0.00 C ATOM 280 C ILE A 18 -4.314 -3.839 -22.325 1.00 0.00 C ATOM 281 O ILE A 18 -3.741 -3.476 -23.353 1.00 0.00 O ATOM 282 CB ILE A 18 -3.197 -5.759 -21.183 1.00 0.00 C ATOM 283 CG1 ILE A 18 -3.172 -5.055 -19.818 1.00 0.00 C ATOM 284 CG2 ILE A 18 -1.932 -5.390 -21.961 1.00 0.00 C ATOM 285 CD1 ILE A 18 -4.336 -5.537 -18.937 1.00 0.00 C ATOM 0 H ILE A 18 -4.003 -6.994 -23.180 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.330 -5.473 -21.380 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.238 -6.838 -21.030 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.224 -5.254 -19.318 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.238 -3.976 -19.958 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.053 -5.700 -21.395 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.938 -5.895 -22.927 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.902 -4.312 -22.116 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.300 -5.026 -17.975 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.282 -5.315 -19.431 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.252 -6.612 -18.780 1.00 0.00 H new ATOM 297 N SER A 19 -4.861 -2.990 -21.461 1.00 0.00 N ATOM 298 CA SER A 19 -4.810 -1.552 -21.689 1.00 0.00 C ATOM 299 C SER A 19 -3.393 -1.030 -21.442 1.00 0.00 C ATOM 300 O SER A 19 -2.628 -1.635 -20.690 1.00 0.00 O ATOM 301 CB SER A 19 -5.802 -0.844 -20.754 1.00 0.00 C ATOM 302 OG SER A 19 -5.253 0.395 -20.321 1.00 0.00 O ATOM 0 H SER A 19 -5.340 -3.270 -20.605 1.00 0.00 H new ATOM 0 HA SER A 19 -5.084 -1.345 -22.724 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.746 -0.673 -21.272 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.020 -1.477 -19.894 1.00 0.00 H new ATOM 0 HG SER A 19 -5.889 0.845 -19.726 1.00 0.00 H new ATOM 308 N PRO A 20 -3.027 0.067 -22.058 1.00 0.00 N ATOM 309 CA PRO A 20 -1.665 0.661 -21.897 1.00 0.00 C ATOM 310 C PRO A 20 -1.410 1.149 -20.469 1.00 0.00 C ATOM 311 O PRO A 20 -0.271 1.164 -20.005 1.00 0.00 O ATOM 312 CB PRO A 20 -1.657 1.831 -22.902 1.00 0.00 C ATOM 313 CG PRO A 20 -3.096 2.178 -23.103 1.00 0.00 C ATOM 314 CD PRO A 20 -3.866 0.866 -22.969 1.00 0.00 C ATOM 0 HA PRO A 20 -0.874 -0.066 -22.083 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.097 2.681 -22.513 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -1.186 1.541 -23.841 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.430 2.904 -22.362 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.256 2.627 -24.083 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.863 1.026 -22.560 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.992 0.374 -23.934 1.00 0.00 H new ATOM 322 N ALA A 21 -2.472 1.559 -19.786 1.00 0.00 N ATOM 323 CA ALA A 21 -2.344 2.061 -18.422 1.00 0.00 C ATOM 324 C ALA A 21 -1.877 0.967 -17.460 1.00 0.00 C ATOM 325 O ALA A 21 -0.870 1.123 -16.770 1.00 0.00 O ATOM 326 CB ALA A 21 -3.691 2.612 -17.949 1.00 0.00 C ATOM 0 H ALA A 21 -3.425 1.554 -20.150 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.594 2.852 -18.425 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.593 2.986 -16.930 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.003 3.424 -18.606 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.438 1.818 -17.974 1.00 0.00 H new ATOM 332 N TYR A 22 -2.614 -0.137 -17.421 1.00 0.00 N ATOM 333 CA TYR A 22 -2.275 -1.247 -16.536 1.00 0.00 C ATOM 334 C TYR A 22 -0.910 -1.820 -16.903 1.00 0.00 C ATOM 335 O TYR A 22 -0.073 -2.097 -16.037 1.00 0.00 O ATOM 336 CB TYR A 22 -3.348 -2.333 -16.646 1.00 0.00 C ATOM 337 CG TYR A 22 -3.005 -3.491 -15.743 1.00 0.00 C ATOM 338 CD1 TYR A 22 -2.182 -4.521 -16.207 1.00 0.00 C ATOM 339 CD2 TYR A 22 -3.518 -3.537 -14.441 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.870 -5.598 -15.371 1.00 0.00 C ATOM 341 CE2 TYR A 22 -3.207 -4.615 -13.605 1.00 0.00 C ATOM 342 CZ TYR A 22 -2.383 -5.645 -14.070 1.00 0.00 C ATOM 343 OH TYR A 22 -2.076 -6.707 -13.246 1.00 0.00 O ATOM 0 H TYR A 22 -3.447 -0.288 -17.989 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.232 -0.884 -15.509 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.321 -1.924 -16.373 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.425 -2.676 -17.678 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.787 -4.485 -17.211 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.153 -2.741 -14.082 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.233 -6.393 -15.730 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.603 -4.652 -12.601 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.512 -6.584 -12.377 1.00 0.00 H new ATOM 353 N ARG A 23 -0.689 -1.990 -18.194 1.00 0.00 N ATOM 354 CA ARG A 23 0.575 -2.523 -18.663 1.00 0.00 C ATOM 355 C ARG A 23 1.721 -1.624 -18.209 1.00 0.00 C ATOM 356 O ARG A 23 2.740 -2.100 -17.699 1.00 0.00 O ATOM 357 CB ARG A 23 0.556 -2.607 -20.188 1.00 0.00 C ATOM 358 CG ARG A 23 1.734 -3.453 -20.669 1.00 0.00 C ATOM 359 CD ARG A 23 1.716 -3.535 -22.197 1.00 0.00 C ATOM 360 NE ARG A 23 1.947 -2.216 -22.778 1.00 0.00 N ATOM 361 CZ ARG A 23 1.885 -2.022 -24.092 1.00 0.00 C ATOM 362 NH1 ARG A 23 1.616 -3.020 -24.888 1.00 0.00 N ATOM 363 NH2 ARG A 23 2.091 -0.832 -24.586 1.00 0.00 N ATOM 0 H ARG A 23 -1.361 -1.769 -18.929 1.00 0.00 H new ATOM 0 HA ARG A 23 0.722 -3.519 -18.246 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.382 -3.046 -20.527 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.614 -1.607 -20.618 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.672 -3.015 -20.329 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.676 -4.453 -20.240 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.482 -4.230 -22.540 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.757 -3.926 -22.536 1.00 0.00 H new ATOM 0 HE ARG A 23 2.160 -1.429 -22.165 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.453 -3.950 -24.503 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.569 -2.870 -25.896 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.300 -0.051 -23.964 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.044 -0.683 -25.594 1.00 0.00 H new ATOM 377 N GLN A 24 1.538 -0.318 -18.377 1.00 0.00 N ATOM 378 CA GLN A 24 2.560 0.633 -17.972 1.00 0.00 C ATOM 379 C GLN A 24 2.838 0.494 -16.480 1.00 0.00 C ATOM 380 O GLN A 24 3.986 0.590 -16.046 1.00 0.00 O ATOM 381 CB GLN A 24 2.114 2.062 -18.282 1.00 0.00 C ATOM 382 CG GLN A 24 3.304 3.009 -18.120 1.00 0.00 C ATOM 383 CD GLN A 24 4.301 2.791 -19.252 1.00 0.00 C ATOM 384 OE1 GLN A 24 3.906 2.619 -20.405 1.00 0.00 O ATOM 385 NE2 GLN A 24 5.580 2.785 -18.990 1.00 0.00 N ATOM 0 H GLN A 24 0.702 0.099 -18.786 1.00 0.00 H new ATOM 0 HA GLN A 24 3.472 0.421 -18.530 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.723 2.121 -19.298 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.306 2.357 -17.612 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.959 4.043 -18.122 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.789 2.836 -17.159 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.905 2.928 -18.034 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.254 2.638 -19.741 1.00 0.00 H new ATOM 394 N LYS A 25 1.789 0.252 -15.694 1.00 0.00 N ATOM 395 CA LYS A 25 1.971 0.092 -14.258 1.00 0.00 C ATOM 396 C LYS A 25 2.898 -1.087 -13.982 1.00 0.00 C ATOM 397 O LYS A 25 3.771 -1.000 -13.121 1.00 0.00 O ATOM 398 CB LYS A 25 0.628 -0.130 -13.554 1.00 0.00 C ATOM 399 CG LYS A 25 -0.175 1.174 -13.555 1.00 0.00 C ATOM 400 CD LYS A 25 -1.578 0.927 -12.981 1.00 0.00 C ATOM 401 CE LYS A 25 -1.516 0.833 -11.451 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.900 0.828 -10.899 1.00 0.00 N ATOM 0 H LYS A 25 0.827 0.165 -16.021 1.00 0.00 H new ATOM 0 HA LYS A 25 2.416 1.007 -13.867 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.066 -0.915 -14.060 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.794 -0.466 -12.530 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.342 1.929 -12.963 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.252 1.563 -14.570 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.247 1.735 -13.276 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.990 0.006 -13.393 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.990 -0.074 -11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.954 1.675 -11.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.860 0.764 -9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.386 1.705 -11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.421 0.011 -11.276 1.00 0.00 H new ATOM 416 N LEU A 26 2.721 -2.188 -14.721 1.00 0.00 N ATOM 417 CA LEU A 26 3.586 -3.353 -14.517 1.00 0.00 C ATOM 418 C LEU A 26 5.039 -2.992 -14.817 1.00 0.00 C ATOM 419 O LEU A 26 5.944 -3.356 -14.065 1.00 0.00 O ATOM 420 CB LEU A 26 3.146 -4.541 -15.411 1.00 0.00 C ATOM 421 CG LEU A 26 2.103 -5.427 -14.701 1.00 0.00 C ATOM 422 CD1 LEU A 26 2.685 -6.048 -13.414 1.00 0.00 C ATOM 423 CD2 LEU A 26 0.854 -4.604 -14.375 1.00 0.00 C ATOM 0 H LEU A 26 2.010 -2.296 -15.444 1.00 0.00 H new ATOM 0 HA LEU A 26 3.497 -3.656 -13.474 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.728 -4.161 -16.343 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.017 -5.142 -15.674 1.00 0.00 H new ATOM 0 HG LEU A 26 1.830 -6.241 -15.373 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.927 -6.668 -12.934 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.550 -6.662 -13.665 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.989 -5.254 -12.732 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.122 -5.237 -13.874 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.125 -3.775 -13.721 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.425 -4.213 -15.298 1.00 0.00 H new ATOM 435 N LEU A 27 5.260 -2.272 -15.906 1.00 0.00 N ATOM 436 CA LEU A 27 6.617 -1.870 -16.264 1.00 0.00 C ATOM 437 C LEU A 27 7.192 -0.931 -15.202 1.00 0.00 C ATOM 438 O LEU A 27 8.377 -1.003 -14.874 1.00 0.00 O ATOM 439 CB LEU A 27 6.627 -1.183 -17.643 1.00 0.00 C ATOM 440 CG LEU A 27 6.771 -2.228 -18.759 1.00 0.00 C ATOM 441 CD1 LEU A 27 5.612 -3.223 -18.703 1.00 0.00 C ATOM 442 CD2 LEU A 27 6.762 -1.518 -20.113 1.00 0.00 C ATOM 0 H LEU A 27 4.534 -1.957 -16.549 1.00 0.00 H new ATOM 0 HA LEU A 27 7.240 -2.763 -16.315 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.705 -0.618 -17.782 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.449 -0.470 -17.695 1.00 0.00 H new ATOM 0 HG LEU A 27 7.708 -2.768 -18.625 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.725 -3.959 -19.499 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.614 -3.730 -17.738 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.669 -2.691 -18.832 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.864 -2.254 -20.910 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.823 -0.979 -20.235 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.593 -0.814 -20.160 1.00 0.00 H new ATOM 454 N SER A 28 6.351 -0.043 -14.685 1.00 0.00 N ATOM 455 CA SER A 28 6.791 0.917 -13.676 1.00 0.00 C ATOM 456 C SER A 28 7.292 0.212 -12.419 1.00 0.00 C ATOM 457 O SER A 28 8.304 0.605 -11.840 1.00 0.00 O ATOM 458 CB SER A 28 5.640 1.854 -13.307 1.00 0.00 C ATOM 459 OG SER A 28 5.208 2.547 -14.470 1.00 0.00 O ATOM 0 H SER A 28 5.367 0.034 -14.944 1.00 0.00 H new ATOM 0 HA SER A 28 7.614 1.492 -14.101 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.814 1.284 -12.881 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.963 2.564 -12.546 1.00 0.00 H new ATOM 0 HG SER A 28 4.766 1.920 -15.079 1.00 0.00 H new ATOM 465 N LEU A 29 6.572 -0.824 -11.994 1.00 0.00 N ATOM 466 CA LEU A 29 6.942 -1.573 -10.792 1.00 0.00 C ATOM 467 C LEU A 29 7.735 -2.822 -11.159 1.00 0.00 C ATOM 468 O LEU A 29 7.339 -3.588 -12.037 1.00 0.00 O ATOM 469 CB LEU A 29 5.672 -1.966 -10.024 1.00 0.00 C ATOM 470 CG LEU A 29 4.728 -2.804 -10.932 1.00 0.00 C ATOM 471 CD1 LEU A 29 4.880 -4.301 -10.622 1.00 0.00 C ATOM 472 CD2 LEU A 29 3.264 -2.391 -10.701 1.00 0.00 C ATOM 0 H LEU A 29 5.732 -1.164 -12.461 1.00 0.00 H new ATOM 0 HA LEU A 29 7.569 -0.941 -10.163 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.939 -2.541 -9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.155 -1.070 -9.680 1.00 0.00 H new ATOM 0 HG LEU A 29 5.001 -2.619 -11.971 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.213 -4.875 -11.265 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.911 -4.607 -10.802 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.624 -4.484 -9.578 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.613 -2.985 -11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.998 -2.561 -9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.142 -1.334 -10.939 1.00 0.00 H new ATOM 484 N GLY A 30 8.861 -3.015 -10.480 1.00 0.00 N ATOM 485 CA GLY A 30 9.714 -4.172 -10.734 1.00 0.00 C ATOM 486 C GLY A 30 9.019 -5.464 -10.320 1.00 0.00 C ATOM 487 O GLY A 30 9.350 -6.544 -10.811 1.00 0.00 O ATOM 0 H GLY A 30 9.204 -2.388 -9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.969 -4.215 -11.793 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.650 -4.066 -10.185 1.00 0.00 H new ATOM 491 N MET A 31 8.055 -5.341 -9.416 1.00 0.00 N ATOM 492 CA MET A 31 7.313 -6.501 -8.936 1.00 0.00 C ATOM 493 C MET A 31 6.417 -7.033 -10.043 1.00 0.00 C ATOM 494 O MET A 31 5.201 -6.842 -10.029 1.00 0.00 O ATOM 495 CB MET A 31 6.460 -6.119 -7.725 1.00 0.00 C ATOM 496 CG MET A 31 5.790 -7.370 -7.152 1.00 0.00 C ATOM 497 SD MET A 31 4.816 -6.916 -5.695 1.00 0.00 S ATOM 498 CE MET A 31 3.560 -5.924 -6.541 1.00 0.00 C ATOM 0 H MET A 31 7.769 -4.454 -9.002 1.00 0.00 H new ATOM 0 HA MET A 31 8.022 -7.274 -8.641 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.082 -5.647 -6.964 1.00 0.00 H new ATOM 0 HB3 MET A 31 5.703 -5.390 -8.016 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.148 -7.829 -7.904 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.544 -8.109 -6.883 1.00 0.00 H new ATOM 0 HE1 MET A 31 2.634 -5.942 -5.966 1.00 0.00 H new ATOM 0 HE2 MET A 31 3.910 -4.896 -6.633 1.00 0.00 H new ATOM 0 HE3 MET A 31 3.379 -6.336 -7.534 1.00 0.00 H new ATOM 508 N LEU A 32 7.042 -7.683 -11.011 1.00 0.00 N ATOM 509 CA LEU A 32 6.324 -8.237 -12.151 1.00 0.00 C ATOM 510 C LEU A 32 5.716 -9.596 -11.773 1.00 0.00 C ATOM 511 O LEU A 32 6.019 -10.136 -10.708 1.00 0.00 O ATOM 512 CB LEU A 32 7.321 -8.359 -13.337 1.00 0.00 C ATOM 513 CG LEU A 32 6.949 -7.387 -14.491 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.539 -6.003 -14.210 1.00 0.00 C ATOM 515 CD2 LEU A 32 7.505 -7.915 -15.818 1.00 0.00 C ATOM 0 H LEU A 32 8.049 -7.841 -11.031 1.00 0.00 H new ATOM 0 HA LEU A 32 5.501 -7.587 -12.447 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.331 -8.144 -12.989 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.324 -9.384 -13.709 1.00 0.00 H new ATOM 0 HG LEU A 32 5.863 -7.315 -14.557 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.276 -5.324 -15.021 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.138 -5.620 -13.272 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.624 -6.078 -14.137 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.240 -7.229 -16.622 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.590 -7.995 -15.752 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.081 -8.897 -16.025 1.00 0.00 H new ATOM 527 N PRO A 33 4.858 -10.145 -12.606 1.00 0.00 N ATOM 528 CA PRO A 33 4.191 -11.451 -12.327 1.00 0.00 C ATOM 529 C PRO A 33 5.150 -12.504 -11.784 1.00 0.00 C ATOM 530 O PRO A 33 6.354 -12.273 -11.672 1.00 0.00 O ATOM 531 CB PRO A 33 3.628 -11.879 -13.686 1.00 0.00 C ATOM 532 CG PRO A 33 3.425 -10.609 -14.451 1.00 0.00 C ATOM 533 CD PRO A 33 4.428 -9.583 -13.901 1.00 0.00 C ATOM 0 HA PRO A 33 3.429 -11.348 -11.555 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.318 -12.544 -14.205 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.690 -12.421 -13.569 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.586 -10.772 -15.517 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.403 -10.249 -14.335 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.273 -9.452 -14.577 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.966 -8.604 -13.775 1.00 0.00 H new ATOM 541 N GLY A 34 4.595 -13.669 -11.455 1.00 0.00 N ATOM 542 CA GLY A 34 5.382 -14.778 -10.926 1.00 0.00 C ATOM 543 C GLY A 34 4.945 -15.120 -9.504 1.00 0.00 C ATOM 544 O GLY A 34 5.615 -15.876 -8.802 1.00 0.00 O ATOM 0 H GLY A 34 3.599 -13.868 -11.547 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.266 -15.652 -11.567 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.440 -14.516 -10.933 1.00 0.00 H new ATOM 548 N SER A 35 3.814 -14.548 -9.086 1.00 0.00 N ATOM 549 CA SER A 35 3.280 -14.784 -7.741 1.00 0.00 C ATOM 550 C SER A 35 1.766 -14.966 -7.792 1.00 0.00 C ATOM 551 O SER A 35 1.212 -15.343 -8.824 1.00 0.00 O ATOM 552 CB SER A 35 3.622 -13.604 -6.831 1.00 0.00 C ATOM 553 OG SER A 35 5.016 -13.340 -6.909 1.00 0.00 O ATOM 0 H SER A 35 3.250 -13.919 -9.658 1.00 0.00 H new ATOM 0 HA SER A 35 3.732 -15.693 -7.344 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.056 -12.722 -7.131 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.340 -13.829 -5.803 1.00 0.00 H new ATOM 0 HG SER A 35 5.239 -12.583 -6.328 1.00 0.00 H new ATOM 559 N SER A 36 1.101 -14.700 -6.668 1.00 0.00 N ATOM 560 CA SER A 36 -0.354 -14.842 -6.589 1.00 0.00 C ATOM 561 C SER A 36 -0.945 -13.766 -5.685 1.00 0.00 C ATOM 562 O SER A 36 -0.233 -13.146 -4.894 1.00 0.00 O ATOM 563 CB SER A 36 -0.714 -16.224 -6.039 1.00 0.00 C ATOM 564 OG SER A 36 -0.036 -16.428 -4.806 1.00 0.00 O ATOM 0 H SER A 36 1.543 -14.387 -5.804 1.00 0.00 H new ATOM 0 HA SER A 36 -0.768 -14.730 -7.591 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.791 -16.301 -5.892 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.434 -16.997 -6.754 1.00 0.00 H new ATOM 0 HG SER A 36 -0.265 -17.311 -4.449 1.00 0.00 H new ATOM 570 N PHE A 37 -2.254 -13.546 -5.808 1.00 0.00 N ATOM 571 CA PHE A 37 -2.938 -12.536 -5.002 1.00 0.00 C ATOM 572 C PHE A 37 -4.294 -13.059 -4.538 1.00 0.00 C ATOM 573 O PHE A 37 -4.809 -14.042 -5.079 1.00 0.00 O ATOM 574 CB PHE A 37 -3.133 -11.253 -5.820 1.00 0.00 C ATOM 575 CG PHE A 37 -4.168 -11.478 -6.897 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.791 -11.974 -8.151 1.00 0.00 C ATOM 577 CD2 PHE A 37 -5.511 -11.192 -6.634 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.760 -12.183 -9.141 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.479 -11.400 -7.622 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.104 -11.896 -8.875 1.00 0.00 C ATOM 0 H PHE A 37 -2.859 -14.051 -6.455 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.325 -12.315 -4.129 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.448 -10.440 -5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.187 -10.952 -6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.754 -12.195 -8.355 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.801 -10.810 -5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.470 -12.565 -10.109 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.516 -11.178 -7.417 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.852 -12.058 -9.637 1.00 0.00 H new ATOM 590 N ASN A 38 -4.866 -12.396 -3.533 1.00 0.00 N ATOM 591 CA ASN A 38 -6.169 -12.793 -2.991 1.00 0.00 C ATOM 592 C ASN A 38 -7.167 -11.640 -3.083 1.00 0.00 C ATOM 593 O ASN A 38 -6.809 -10.464 -2.924 1.00 0.00 O ATOM 594 CB ASN A 38 -6.015 -13.219 -1.527 1.00 0.00 C ATOM 595 CG ASN A 38 -7.245 -14.006 -1.080 1.00 0.00 C ATOM 596 OD1 ASN A 38 -7.807 -14.776 -1.859 1.00 0.00 O ATOM 597 ND2 ASN A 38 -7.696 -13.862 0.136 1.00 0.00 N ATOM 0 H ASN A 38 -4.450 -11.583 -3.078 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.545 -13.630 -3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.120 -13.830 -1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.886 -12.340 -0.895 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.515 -14.388 0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.230 -13.224 0.781 1.00 0.00 H new ATOM 604 N VAL A 39 -8.423 -11.989 -3.343 1.00 0.00 N ATOM 605 CA VAL A 39 -9.474 -10.987 -3.458 1.00 0.00 C ATOM 606 C VAL A 39 -9.988 -10.592 -2.081 1.00 0.00 C ATOM 607 O VAL A 39 -10.399 -11.444 -1.295 1.00 0.00 O ATOM 608 CB VAL A 39 -10.635 -11.542 -4.285 1.00 0.00 C ATOM 609 CG1 VAL A 39 -11.631 -10.421 -4.592 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.099 -12.125 -5.595 1.00 0.00 C ATOM 0 H VAL A 39 -8.735 -12.951 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.057 -10.108 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.138 -12.326 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.457 -10.819 -5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.016 -10.011 -3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.130 -9.634 -5.155 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.927 -12.520 -6.183 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.593 -11.343 -6.161 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.395 -12.928 -5.375 1.00 0.00 H new ATOM 620 N VAL A 40 -9.970 -9.298 -1.796 1.00 0.00 N ATOM 621 CA VAL A 40 -10.451 -8.809 -0.513 1.00 0.00 C ATOM 622 C VAL A 40 -11.965 -8.983 -0.401 1.00 0.00 C ATOM 623 O VAL A 40 -12.480 -9.332 0.660 1.00 0.00 O ATOM 624 CB VAL A 40 -10.052 -7.335 -0.328 1.00 0.00 C ATOM 625 CG1 VAL A 40 -10.379 -6.527 -1.597 1.00 0.00 C ATOM 626 CG2 VAL A 40 -10.807 -6.740 0.871 1.00 0.00 C ATOM 0 H VAL A 40 -9.631 -8.574 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.989 -9.395 0.281 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.979 -7.283 -0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.091 -5.486 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.829 -6.940 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.449 -6.582 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.522 -5.696 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.880 -6.804 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.555 -7.298 1.773 1.00 0.00 H new ATOM 636 N ARG A 41 -12.672 -8.727 -1.498 1.00 0.00 N ATOM 637 CA ARG A 41 -14.124 -8.849 -1.500 1.00 0.00 C ATOM 638 C ARG A 41 -14.679 -8.666 -2.908 1.00 0.00 C ATOM 639 O ARG A 41 -14.016 -8.100 -3.778 1.00 0.00 O ATOM 640 CB ARG A 41 -14.725 -7.788 -0.573 1.00 0.00 C ATOM 641 CG ARG A 41 -14.435 -6.391 -1.130 1.00 0.00 C ATOM 642 CD ARG A 41 -14.909 -5.337 -0.130 1.00 0.00 C ATOM 643 NE ARG A 41 -14.711 -3.999 -0.679 1.00 0.00 N ATOM 644 CZ ARG A 41 -13.536 -3.382 -0.583 1.00 0.00 C ATOM 645 NH1 ARG A 41 -12.537 -3.973 0.011 1.00 0.00 N ATOM 646 NH2 ARG A 41 -13.384 -2.186 -1.083 1.00 0.00 N ATOM 0 H ARG A 41 -12.267 -8.437 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.391 -9.845 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.801 -7.938 -0.483 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.304 -7.885 0.428 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.367 -6.277 -1.317 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.942 -6.256 -2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.963 -5.491 0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.360 -5.439 0.806 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.487 -3.529 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.657 -4.908 0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.636 -3.501 0.085 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.166 -1.724 -1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.483 -1.713 -1.009 1.00 0.00 H new ATOM 660 N VAL A 42 -15.909 -9.132 -3.123 1.00 0.00 N ATOM 661 CA VAL A 42 -16.562 -9.000 -4.427 1.00 0.00 C ATOM 662 C VAL A 42 -17.954 -8.406 -4.255 1.00 0.00 C ATOM 663 O VAL A 42 -18.811 -8.989 -3.588 1.00 0.00 O ATOM 664 CB VAL A 42 -16.664 -10.369 -5.097 1.00 0.00 C ATOM 665 CG1 VAL A 42 -17.346 -10.225 -6.458 1.00 0.00 C ATOM 666 CG2 VAL A 42 -15.258 -10.939 -5.290 1.00 0.00 C ATOM 0 H VAL A 42 -16.472 -9.603 -2.415 1.00 0.00 H new ATOM 0 HA VAL A 42 -15.967 -8.337 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.251 -11.040 -4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.418 -11.203 -6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.346 -9.813 -6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -16.761 -9.556 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.324 -11.916 -5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.676 -10.266 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.771 -11.041 -4.320 1.00 0.00 H new ATOM 676 N ALA A 43 -18.178 -7.239 -4.857 1.00 0.00 N ATOM 677 CA ALA A 43 -19.474 -6.570 -4.762 1.00 0.00 C ATOM 678 C ALA A 43 -20.365 -6.950 -5.959 1.00 0.00 C ATOM 679 O ALA A 43 -20.078 -6.550 -7.086 1.00 0.00 O ATOM 680 CB ALA A 43 -19.262 -5.053 -4.752 1.00 0.00 C ATOM 0 H ALA A 43 -17.483 -6.740 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 43 -19.966 -6.885 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.227 -4.551 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -18.646 -4.777 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -18.762 -4.749 -5.672 1.00 0.00 H new ATOM 686 N PRO A 44 -21.432 -7.701 -5.760 1.00 0.00 N ATOM 687 CA PRO A 44 -22.339 -8.102 -6.877 1.00 0.00 C ATOM 688 C PRO A 44 -23.250 -6.957 -7.327 1.00 0.00 C ATOM 689 O PRO A 44 -23.926 -7.057 -8.351 1.00 0.00 O ATOM 690 CB PRO A 44 -23.140 -9.274 -6.296 1.00 0.00 C ATOM 691 CG PRO A 44 -23.186 -9.019 -4.823 1.00 0.00 C ATOM 692 CD PRO A 44 -21.901 -8.254 -4.469 1.00 0.00 C ATOM 0 HA PRO A 44 -21.788 -8.375 -7.777 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.143 -9.316 -6.721 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -22.660 -10.228 -6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.069 -8.437 -4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.244 -9.956 -4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.097 -7.462 -3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.155 -8.914 -4.025 1.00 0.00 H new ATOM 700 N LEU A 45 -23.281 -5.882 -6.542 1.00 0.00 N ATOM 701 CA LEU A 45 -24.139 -4.742 -6.860 1.00 0.00 C ATOM 702 C LEU A 45 -23.783 -4.158 -8.227 1.00 0.00 C ATOM 703 O LEU A 45 -24.653 -3.643 -8.930 1.00 0.00 O ATOM 704 CB LEU A 45 -23.986 -3.654 -5.781 1.00 0.00 C ATOM 705 CG LEU A 45 -24.833 -4.002 -4.542 1.00 0.00 C ATOM 706 CD1 LEU A 45 -26.341 -3.891 -4.852 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.492 -5.425 -4.088 1.00 0.00 C ATOM 0 H LEU A 45 -22.729 -5.776 -5.691 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.172 -5.089 -6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.938 -3.559 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.296 -2.689 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 45 -24.603 -3.293 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -26.915 -4.142 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.575 -2.872 -5.159 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -26.599 -4.581 -5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.087 -5.680 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.713 -6.126 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.433 -5.483 -3.837 1.00 0.00 H new ATOM 719 N GLY A 46 -22.508 -4.242 -8.604 1.00 0.00 N ATOM 720 CA GLY A 46 -22.058 -3.718 -9.900 1.00 0.00 C ATOM 721 C GLY A 46 -20.828 -2.832 -9.739 1.00 0.00 C ATOM 722 O GLY A 46 -20.579 -1.946 -10.556 1.00 0.00 O ATOM 0 H GLY A 46 -21.771 -4.663 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.828 -4.546 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.863 -3.147 -10.364 1.00 0.00 H new ATOM 726 N ASP A 47 -20.058 -3.080 -8.684 1.00 0.00 N ATOM 727 CA ASP A 47 -18.846 -2.303 -8.420 1.00 0.00 C ATOM 728 C ASP A 47 -17.630 -3.068 -8.949 1.00 0.00 C ATOM 729 O ASP A 47 -17.697 -4.281 -9.153 1.00 0.00 O ATOM 730 CB ASP A 47 -18.723 -2.067 -6.896 1.00 0.00 C ATOM 731 CG ASP A 47 -19.243 -0.680 -6.515 1.00 0.00 C ATOM 732 OD1 ASP A 47 -18.884 0.272 -7.189 1.00 0.00 O ATOM 733 OD2 ASP A 47 -19.992 -0.592 -5.556 1.00 0.00 O ATOM 0 H ASP A 47 -20.249 -3.810 -7.998 1.00 0.00 H new ATOM 0 HA ASP A 47 -18.896 -1.338 -8.925 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.285 -2.831 -6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.681 -2.165 -6.592 1.00 0.00 H new ATOM 738 N PRO A 48 -16.531 -2.393 -9.174 1.00 0.00 N ATOM 739 CA PRO A 48 -15.289 -3.040 -9.691 1.00 0.00 C ATOM 740 C PRO A 48 -14.805 -4.153 -8.762 1.00 0.00 C ATOM 741 O PRO A 48 -15.375 -4.374 -7.694 1.00 0.00 O ATOM 742 CB PRO A 48 -14.266 -1.885 -9.768 1.00 0.00 C ATOM 743 CG PRO A 48 -14.826 -0.802 -8.897 1.00 0.00 C ATOM 744 CD PRO A 48 -16.344 -0.947 -8.969 1.00 0.00 C ATOM 0 HA PRO A 48 -15.446 -3.523 -10.655 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.285 -2.204 -9.417 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -14.140 -1.539 -10.794 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.472 -0.905 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -14.511 0.181 -9.246 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.826 -0.604 -8.053 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -16.766 -0.366 -9.789 1.00 0.00 H new ATOM 752 N ILE A 49 -13.756 -4.855 -9.185 1.00 0.00 N ATOM 753 CA ILE A 49 -13.203 -5.951 -8.394 1.00 0.00 C ATOM 754 C ILE A 49 -12.055 -5.438 -7.533 1.00 0.00 C ATOM 755 O ILE A 49 -11.023 -5.008 -8.048 1.00 0.00 O ATOM 756 CB ILE A 49 -12.691 -7.054 -9.336 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.682 -7.216 -10.492 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.544 -8.387 -8.587 1.00 0.00 C ATOM 759 CD1 ILE A 49 -15.093 -7.464 -9.950 1.00 0.00 C ATOM 0 H ILE A 49 -13.274 -4.685 -10.068 1.00 0.00 H new ATOM 0 HA ILE A 49 -13.980 -6.358 -7.747 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.711 -6.770 -9.718 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.676 -6.321 -11.114 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.378 -8.048 -11.128 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.181 -9.152 -9.273 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -11.835 -8.268 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.512 -8.688 -8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.788 -7.577 -10.782 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.097 -8.372 -9.348 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.400 -6.619 -9.334 1.00 0.00 H new ATOM 771 N HIS A 50 -12.243 -5.488 -6.217 1.00 0.00 N ATOM 772 CA HIS A 50 -11.219 -5.026 -5.283 1.00 0.00 C ATOM 773 C HIS A 50 -10.359 -6.193 -4.830 1.00 0.00 C ATOM 774 O HIS A 50 -10.871 -7.195 -4.333 1.00 0.00 O ATOM 775 CB HIS A 50 -11.873 -4.377 -4.063 1.00 0.00 C ATOM 776 CG HIS A 50 -12.481 -3.060 -4.462 1.00 0.00 C ATOM 777 ND1 HIS A 50 -12.471 -1.956 -3.622 1.00 0.00 N ATOM 778 CD2 HIS A 50 -13.114 -2.650 -5.611 1.00 0.00 C ATOM 779 CE1 HIS A 50 -13.078 -0.946 -4.272 1.00 0.00 C ATOM 780 NE2 HIS A 50 -13.490 -1.316 -5.487 1.00 0.00 N ATOM 0 H HIS A 50 -13.091 -5.842 -5.774 1.00 0.00 H new ATOM 0 HA HIS A 50 -10.594 -4.292 -5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.640 -5.035 -3.655 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -11.133 -4.225 -3.278 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -12.076 -1.917 -2.683 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.292 -3.269 -6.478 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.215 0.043 -3.861 1.00 0.00 H new ATOM 788 N ILE A 51 -9.046 -6.057 -5.003 1.00 0.00 N ATOM 789 CA ILE A 51 -8.109 -7.107 -4.603 1.00 0.00 C ATOM 790 C ILE A 51 -7.024 -6.537 -3.703 1.00 0.00 C ATOM 791 O ILE A 51 -6.635 -5.375 -3.838 1.00 0.00 O ATOM 792 CB ILE A 51 -7.475 -7.751 -5.846 1.00 0.00 C ATOM 793 CG1 ILE A 51 -6.751 -6.688 -6.683 1.00 0.00 C ATOM 794 CG2 ILE A 51 -8.566 -8.401 -6.697 1.00 0.00 C ATOM 795 CD1 ILE A 51 -5.959 -7.369 -7.800 1.00 0.00 C ATOM 0 H ILE A 51 -8.607 -5.234 -5.416 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.658 -7.868 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.757 -8.505 -5.524 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.473 -5.991 -7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.081 -6.106 -6.050 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.116 -8.858 -7.579 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.076 -9.166 -6.112 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.285 -7.643 -7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.445 -6.614 -8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.226 -8.048 -7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.640 -7.931 -8.439 1.00 0.00 H new ATOM 807 N GLU A 52 -6.530 -7.367 -2.781 1.00 0.00 N ATOM 808 CA GLU A 52 -5.478 -6.937 -1.858 1.00 0.00 C ATOM 809 C GLU A 52 -4.352 -7.954 -1.825 1.00 0.00 C ATOM 810 O GLU A 52 -4.585 -9.152 -1.669 1.00 0.00 O ATOM 811 CB GLU A 52 -6.052 -6.753 -0.452 1.00 0.00 C ATOM 812 CG GLU A 52 -6.960 -5.521 -0.434 1.00 0.00 C ATOM 813 CD GLU A 52 -7.608 -5.371 0.939 1.00 0.00 C ATOM 814 OE1 GLU A 52 -7.324 -6.189 1.798 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.378 -4.441 1.110 1.00 0.00 O ATOM 0 H GLU A 52 -6.838 -8.331 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.081 -5.984 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.615 -7.639 -0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.244 -6.634 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.381 -4.629 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.730 -5.615 -1.200 1.00 0.00 H new ATOM 822 N THR A 53 -3.122 -7.464 -1.979 1.00 0.00 N ATOM 823 CA THR A 53 -1.946 -8.334 -1.974 1.00 0.00 C ATOM 824 C THR A 53 -0.966 -7.858 -0.911 1.00 0.00 C ATOM 825 O THR A 53 -0.734 -6.656 -0.760 1.00 0.00 O ATOM 826 CB THR A 53 -1.269 -8.302 -3.358 1.00 0.00 C ATOM 827 OG1 THR A 53 -0.245 -7.316 -3.359 1.00 0.00 O ATOM 828 CG2 THR A 53 -2.300 -7.947 -4.443 1.00 0.00 C ATOM 0 H THR A 53 -2.914 -6.474 -2.108 1.00 0.00 H new ATOM 0 HA THR A 53 -2.253 -9.356 -1.750 1.00 0.00 H new ATOM 0 HB THR A 53 -0.846 -9.285 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.188 -7.295 -4.238 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.811 -7.927 -5.417 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.093 -8.695 -4.450 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.728 -6.967 -4.232 1.00 0.00 H new ATOM 836 N ARG A 54 -0.385 -8.803 -0.180 1.00 0.00 N ATOM 837 CA ARG A 54 0.570 -8.463 0.868 1.00 0.00 C ATOM 838 C ARG A 54 1.525 -7.375 0.386 1.00 0.00 C ATOM 839 O ARG A 54 1.950 -6.518 1.162 1.00 0.00 O ATOM 840 CB ARG A 54 1.357 -9.714 1.274 1.00 0.00 C ATOM 841 CG ARG A 54 2.212 -10.193 0.099 1.00 0.00 C ATOM 842 CD ARG A 54 2.878 -11.522 0.457 1.00 0.00 C ATOM 843 NE ARG A 54 1.871 -12.571 0.580 1.00 0.00 N ATOM 844 CZ ARG A 54 2.202 -13.801 0.953 1.00 0.00 C ATOM 845 NH1 ARG A 54 3.449 -14.093 1.208 1.00 0.00 N ATOM 846 NH2 ARG A 54 1.281 -14.720 1.060 1.00 0.00 N ATOM 0 H ARG A 54 -0.557 -9.802 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 54 0.026 -8.085 1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.992 -9.493 2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.670 -10.503 1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.592 -10.313 -0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.970 -9.447 -0.140 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.604 -11.792 -0.310 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.426 -11.422 1.394 1.00 0.00 H new ATOM 0 HE ARG A 54 0.895 -12.355 0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.169 -13.376 1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.703 -15.038 1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.308 -14.493 0.857 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.535 -15.665 1.347 1.00 0.00 H new ATOM 860 N ARG A 55 1.855 -7.420 -0.899 1.00 0.00 N ATOM 861 CA ARG A 55 2.760 -6.437 -1.476 1.00 0.00 C ATOM 862 C ARG A 55 2.092 -5.064 -1.544 1.00 0.00 C ATOM 863 O ARG A 55 2.691 -4.056 -1.168 1.00 0.00 O ATOM 864 CB ARG A 55 3.160 -6.869 -2.889 1.00 0.00 C ATOM 865 CG ARG A 55 3.704 -8.307 -2.879 1.00 0.00 C ATOM 866 CD ARG A 55 5.048 -8.368 -2.148 1.00 0.00 C ATOM 867 NE ARG A 55 5.682 -9.666 -2.377 1.00 0.00 N ATOM 868 CZ ARG A 55 6.494 -10.213 -1.475 1.00 0.00 C ATOM 869 NH1 ARG A 55 6.757 -9.585 -0.361 1.00 0.00 N ATOM 870 NH2 ARG A 55 7.034 -11.377 -1.708 1.00 0.00 N ATOM 0 H ARG A 55 1.512 -8.121 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 55 3.645 -6.371 -0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.298 -6.805 -3.553 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.917 -6.190 -3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.988 -8.969 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.823 -8.664 -3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.700 -7.568 -2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.898 -8.210 -1.080 1.00 0.00 H new ATOM 0 HE ARG A 55 5.498 -10.164 -3.248 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.340 -8.672 -0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.380 -10.007 0.328 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.834 -11.867 -2.580 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.656 -11.798 -1.018 1.00 0.00 H new ATOM 884 N VAL A 56 0.851 -5.030 -2.025 1.00 0.00 N ATOM 885 CA VAL A 56 0.125 -3.766 -2.133 1.00 0.00 C ATOM 886 C VAL A 56 -1.331 -3.999 -2.492 1.00 0.00 C ATOM 887 O VAL A 56 -1.717 -5.100 -2.889 1.00 0.00 O ATOM 888 CB VAL A 56 0.771 -2.883 -3.196 1.00 0.00 C ATOM 889 CG1 VAL A 56 0.663 -3.559 -4.565 1.00 0.00 C ATOM 890 CG2 VAL A 56 0.078 -1.512 -3.240 1.00 0.00 C ATOM 0 H VAL A 56 0.333 -5.850 -2.342 1.00 0.00 H new ATOM 0 HA VAL A 56 0.169 -3.270 -1.163 1.00 0.00 H new ATOM 0 HB VAL A 56 1.822 -2.740 -2.944 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.126 -2.925 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.174 -4.522 -4.537 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.387 -3.712 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.548 -0.891 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.977 -1.645 -3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.171 -1.026 -2.269 1.00 0.00 H new ATOM 900 N SER A 57 -2.137 -2.948 -2.365 1.00 0.00 N ATOM 901 CA SER A 57 -3.553 -3.036 -2.699 1.00 0.00 C ATOM 902 C SER A 57 -3.792 -2.604 -4.144 1.00 0.00 C ATOM 903 O SER A 57 -3.014 -1.834 -4.707 1.00 0.00 O ATOM 904 CB SER A 57 -4.373 -2.155 -1.757 1.00 0.00 C ATOM 905 OG SER A 57 -4.371 -0.820 -2.245 1.00 0.00 O ATOM 0 H SER A 57 -1.835 -2.031 -2.035 1.00 0.00 H new ATOM 0 HA SER A 57 -3.867 -4.074 -2.585 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.395 -2.528 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.953 -2.188 -0.752 1.00 0.00 H new ATOM 0 HG SER A 57 -4.897 -0.251 -1.645 1.00 0.00 H new ATOM 911 N LEU A 58 -4.874 -3.100 -4.738 1.00 0.00 N ATOM 912 CA LEU A 58 -5.205 -2.751 -6.115 1.00 0.00 C ATOM 913 C LEU A 58 -6.660 -3.099 -6.415 1.00 0.00 C ATOM 914 O LEU A 58 -7.199 -4.063 -5.871 1.00 0.00 O ATOM 915 CB LEU A 58 -4.278 -3.502 -7.084 1.00 0.00 C ATOM 916 CG LEU A 58 -4.609 -3.147 -8.544 1.00 0.00 C ATOM 917 CD1 LEU A 58 -4.369 -1.650 -8.801 1.00 0.00 C ATOM 918 CD2 LEU A 58 -3.712 -3.973 -9.473 1.00 0.00 C ATOM 0 H LEU A 58 -5.531 -3.740 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.066 -1.678 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.240 -3.249 -6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.382 -4.577 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.658 -3.371 -8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.608 -1.416 -9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.005 -1.061 -8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.324 -1.410 -8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.939 -3.728 -10.511 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.666 -3.744 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.892 -5.035 -9.303 1.00 0.00 H new ATOM 930 N VAL A 59 -7.289 -2.318 -7.296 1.00 0.00 N ATOM 931 CA VAL A 59 -8.682 -2.563 -7.685 1.00 0.00 C ATOM 932 C VAL A 59 -8.786 -2.602 -9.205 1.00 0.00 C ATOM 933 O VAL A 59 -8.268 -1.724 -9.895 1.00 0.00 O ATOM 934 CB VAL A 59 -9.600 -1.465 -7.138 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.082 -0.093 -7.568 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.018 -1.669 -7.685 1.00 0.00 C ATOM 0 H VAL A 59 -6.859 -1.514 -7.753 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.997 -3.519 -7.267 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.615 -1.518 -6.049 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.739 0.683 -7.176 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.074 0.054 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.062 -0.036 -8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.673 -0.889 -7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.999 -1.619 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.391 -2.645 -7.373 1.00 0.00 H new ATOM 946 N LEU A 60 -9.451 -3.633 -9.720 1.00 0.00 N ATOM 947 CA LEU A 60 -9.615 -3.799 -11.165 1.00 0.00 C ATOM 948 C LEU A 60 -11.055 -4.176 -11.500 1.00 0.00 C ATOM 949 O LEU A 60 -11.802 -4.635 -10.639 1.00 0.00 O ATOM 950 CB LEU A 60 -8.675 -4.897 -11.661 1.00 0.00 C ATOM 951 CG LEU A 60 -7.211 -4.493 -11.425 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.296 -5.683 -11.744 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.834 -3.299 -12.325 1.00 0.00 C ATOM 0 H LEU A 60 -9.885 -4.367 -9.160 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.375 -2.856 -11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.890 -5.831 -11.142 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.843 -5.077 -12.723 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.088 -4.202 -10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.257 -5.398 -11.577 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.551 -6.522 -11.096 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.429 -5.975 -12.786 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.794 -3.023 -12.147 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.962 -3.577 -13.371 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.479 -2.451 -12.094 1.00 0.00 H new ATOM 965 N ARG A 61 -11.435 -3.980 -12.758 1.00 0.00 N ATOM 966 CA ARG A 61 -12.787 -4.307 -13.204 1.00 0.00 C ATOM 967 C ARG A 61 -12.875 -5.772 -13.618 1.00 0.00 C ATOM 968 O ARG A 61 -11.856 -6.432 -13.811 1.00 0.00 O ATOM 969 CB ARG A 61 -13.181 -3.414 -14.374 1.00 0.00 C ATOM 970 CG ARG A 61 -13.381 -1.990 -13.862 1.00 0.00 C ATOM 971 CD ARG A 61 -13.782 -1.097 -15.024 1.00 0.00 C ATOM 972 NE ARG A 61 -13.961 0.277 -14.572 1.00 0.00 N ATOM 973 CZ ARG A 61 -14.599 1.171 -15.320 1.00 0.00 C ATOM 974 NH1 ARG A 61 -15.076 0.826 -16.485 1.00 0.00 N ATOM 975 NH2 ARG A 61 -14.747 2.394 -14.891 1.00 0.00 N ATOM 0 H ARG A 61 -10.830 -3.598 -13.485 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.475 -4.137 -12.376 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.407 -3.434 -15.141 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -14.097 -3.781 -14.837 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.151 -1.972 -13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.463 -1.622 -13.404 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.018 -1.134 -15.800 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.707 -1.463 -15.470 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.590 0.558 -13.664 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -14.959 -0.130 -16.821 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.566 1.512 -17.059 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.373 2.664 -13.981 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.237 3.080 -15.465 1.00 0.00 H new ATOM 989 N LYS A 62 -14.095 -6.277 -13.744 1.00 0.00 N ATOM 990 CA LYS A 62 -14.299 -7.670 -14.127 1.00 0.00 C ATOM 991 C LYS A 62 -13.658 -7.952 -15.484 1.00 0.00 C ATOM 992 O LYS A 62 -13.069 -9.015 -15.700 1.00 0.00 O ATOM 993 CB LYS A 62 -15.797 -7.971 -14.192 1.00 0.00 C ATOM 994 CG LYS A 62 -16.009 -9.462 -14.464 1.00 0.00 C ATOM 995 CD LYS A 62 -17.504 -9.801 -14.392 1.00 0.00 C ATOM 996 CE LYS A 62 -18.247 -9.185 -15.583 1.00 0.00 C ATOM 997 NZ LYS A 62 -19.576 -9.845 -15.731 1.00 0.00 N ATOM 0 H LYS A 62 -14.953 -5.748 -13.588 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.830 -8.310 -13.380 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -16.276 -7.690 -13.254 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -16.264 -7.377 -14.978 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.616 -9.720 -15.447 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.458 -10.055 -13.735 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.639 -10.883 -14.390 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.924 -9.426 -13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.375 -8.113 -15.431 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -17.663 -9.310 -16.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -20.082 -9.429 -16.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -19.442 -10.863 -15.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -20.132 -9.704 -14.864 1.00 0.00 H new ATOM 1011 N LYS A 63 -13.773 -6.993 -16.393 1.00 0.00 N ATOM 1012 CA LYS A 63 -13.203 -7.148 -17.725 1.00 0.00 C ATOM 1013 C LYS A 63 -11.689 -7.308 -17.645 1.00 0.00 C ATOM 1014 O LYS A 63 -11.101 -8.106 -18.371 1.00 0.00 O ATOM 1015 CB LYS A 63 -13.540 -5.932 -18.586 1.00 0.00 C ATOM 1016 CG LYS A 63 -15.046 -5.897 -18.858 1.00 0.00 C ATOM 1017 CD LYS A 63 -15.375 -4.760 -19.836 1.00 0.00 C ATOM 1018 CE LYS A 63 -15.194 -3.400 -19.153 1.00 0.00 C ATOM 1019 NZ LYS A 63 -15.853 -2.346 -19.976 1.00 0.00 N ATOM 0 H LYS A 63 -14.252 -6.106 -16.235 1.00 0.00 H new ATOM 0 HA LYS A 63 -13.631 -8.043 -18.177 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.230 -5.018 -18.079 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.991 -5.976 -19.527 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.371 -6.851 -19.273 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.590 -5.754 -17.924 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.727 -4.824 -20.710 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -16.400 -4.862 -20.191 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.627 -3.421 -18.153 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.134 -3.177 -19.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.733 -1.421 -19.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.420 -2.322 -20.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.867 -2.559 -20.066 1.00 0.00 H new ATOM 1033 N ASP A 64 -11.058 -6.543 -16.762 1.00 0.00 N ATOM 1034 CA ASP A 64 -9.611 -6.613 -16.614 1.00 0.00 C ATOM 1035 C ASP A 64 -9.185 -8.024 -16.220 1.00 0.00 C ATOM 1036 O ASP A 64 -8.237 -8.571 -16.783 1.00 0.00 O ATOM 1037 CB ASP A 64 -9.156 -5.623 -15.546 1.00 0.00 C ATOM 1038 CG ASP A 64 -9.265 -4.195 -16.071 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -9.445 -4.036 -17.268 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -9.165 -3.281 -15.269 1.00 0.00 O ATOM 0 H ASP A 64 -11.520 -5.875 -16.145 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.148 -6.359 -17.567 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.767 -5.737 -14.650 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.126 -5.835 -15.258 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.897 -8.616 -15.267 1.00 0.00 N ATOM 1046 CA LEU A 65 -9.580 -9.973 -14.829 1.00 0.00 C ATOM 1047 C LEU A 65 -9.759 -10.951 -15.985 1.00 0.00 C ATOM 1048 O LEU A 65 -8.945 -11.855 -16.172 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.484 -10.373 -13.645 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.857 -9.931 -12.314 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.524 -8.440 -12.358 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.836 -10.188 -11.184 1.00 0.00 C ATOM 0 H LEU A 65 -10.688 -8.186 -14.788 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.541 -10.005 -14.501 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.467 -9.916 -13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.633 -11.453 -13.642 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.941 -10.499 -12.149 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.080 -8.138 -11.409 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.818 -8.249 -13.166 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.436 -7.868 -12.530 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.392 -9.875 -10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.751 -9.623 -11.360 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.070 -11.252 -11.140 1.00 0.00 H new ATOM 1064 N ALA A 66 -10.822 -10.769 -16.759 1.00 0.00 N ATOM 1065 CA ALA A 66 -11.070 -11.656 -17.887 1.00 0.00 C ATOM 1066 C ALA A 66 -9.875 -11.653 -18.840 1.00 0.00 C ATOM 1067 O ALA A 66 -9.345 -12.709 -19.185 1.00 0.00 O ATOM 1068 CB ALA A 66 -12.327 -11.208 -18.637 1.00 0.00 C ATOM 0 H ALA A 66 -11.513 -10.030 -16.630 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.217 -12.667 -17.508 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.506 -11.876 -19.479 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.183 -11.237 -17.963 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.189 -10.191 -19.004 1.00 0.00 H new ATOM 1074 N LEU A 67 -9.453 -10.461 -19.254 1.00 0.00 N ATOM 1075 CA LEU A 67 -8.313 -10.338 -20.160 1.00 0.00 C ATOM 1076 C LEU A 67 -7.005 -10.725 -19.464 1.00 0.00 C ATOM 1077 O LEU A 67 -6.150 -11.380 -20.059 1.00 0.00 O ATOM 1078 CB LEU A 67 -8.215 -8.900 -20.702 1.00 0.00 C ATOM 1079 CG LEU A 67 -9.166 -8.708 -21.903 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -8.654 -9.481 -23.138 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -10.573 -9.201 -21.537 1.00 0.00 C ATOM 0 H LEU A 67 -9.878 -9.575 -18.981 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.471 -11.025 -20.991 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.467 -8.190 -19.914 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.190 -8.689 -21.005 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.201 -7.646 -22.146 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.340 -9.331 -23.971 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.665 -9.115 -23.412 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.595 -10.544 -22.903 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.240 -9.063 -22.388 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.532 -10.259 -21.276 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.948 -8.632 -20.686 1.00 0.00 H new ATOM 1093 N LEU A 68 -6.850 -10.311 -18.209 1.00 0.00 N ATOM 1094 CA LEU A 68 -5.628 -10.617 -17.463 1.00 0.00 C ATOM 1095 C LEU A 68 -5.438 -12.124 -17.354 1.00 0.00 C ATOM 1096 O LEU A 68 -6.388 -12.859 -17.078 1.00 0.00 O ATOM 1097 CB LEU A 68 -5.708 -10.008 -16.055 1.00 0.00 C ATOM 1098 CG LEU A 68 -4.328 -10.067 -15.362 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -3.489 -8.838 -15.746 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -4.514 -10.091 -13.837 1.00 0.00 C ATOM 0 H LEU A 68 -7.543 -9.770 -17.691 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.779 -10.189 -17.996 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.046 -8.974 -16.118 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.444 -10.548 -15.460 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.813 -10.972 -15.686 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.519 -8.891 -15.252 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.345 -8.819 -16.826 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.007 -7.932 -15.433 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.539 -10.133 -13.352 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.039 -9.190 -13.520 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.097 -10.968 -13.555 1.00 0.00 H new ATOM 1112 N GLU A 69 -4.209 -12.590 -17.582 1.00 0.00 N ATOM 1113 CA GLU A 69 -3.932 -14.025 -17.510 1.00 0.00 C ATOM 1114 C GLU A 69 -3.729 -14.460 -16.059 1.00 0.00 C ATOM 1115 O GLU A 69 -2.760 -14.061 -15.406 1.00 0.00 O ATOM 1116 CB GLU A 69 -2.684 -14.365 -18.331 1.00 0.00 C ATOM 1117 CG GLU A 69 -2.914 -13.998 -19.799 1.00 0.00 C ATOM 1118 CD GLU A 69 -4.020 -14.865 -20.390 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -3.924 -16.076 -20.271 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -4.946 -14.308 -20.955 1.00 0.00 O ATOM 0 H GLU A 69 -3.404 -12.008 -17.814 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.788 -14.560 -17.921 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.822 -13.823 -17.942 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.458 -15.428 -18.243 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.184 -12.945 -19.880 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.992 -14.135 -20.365 1.00 0.00 H new ATOM 1127 N VAL A 70 -4.653 -15.283 -15.559 1.00 0.00 N ATOM 1128 CA VAL A 70 -4.582 -15.777 -14.182 1.00 0.00 C ATOM 1129 C VAL A 70 -4.844 -17.280 -14.134 1.00 0.00 C ATOM 1130 O VAL A 70 -5.421 -17.846 -15.063 1.00 0.00 O ATOM 1131 CB VAL A 70 -5.616 -15.059 -13.311 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -5.269 -13.572 -13.211 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -7.005 -15.215 -13.936 1.00 0.00 C ATOM 0 H VAL A 70 -5.458 -15.621 -16.086 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.580 -15.577 -13.802 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.611 -15.498 -12.313 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.009 -13.067 -12.590 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.281 -13.458 -12.764 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -5.270 -13.130 -14.208 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.742 -14.704 -13.317 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.006 -14.779 -14.935 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.257 -16.273 -14.002 1.00 0.00 H new ATOM 1143 N GLU A 71 -4.423 -17.922 -13.042 1.00 0.00 N ATOM 1144 CA GLU A 71 -4.624 -19.366 -12.882 1.00 0.00 C ATOM 1145 C GLU A 71 -4.920 -19.704 -11.426 1.00 0.00 C ATOM 1146 O GLU A 71 -4.296 -19.158 -10.517 1.00 0.00 O ATOM 1147 CB GLU A 71 -3.368 -20.125 -13.316 1.00 0.00 C ATOM 1148 CG GLU A 71 -3.687 -21.616 -13.437 1.00 0.00 C ATOM 1149 CD GLU A 71 -2.471 -22.368 -13.965 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -1.566 -21.717 -14.462 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -2.463 -23.584 -13.868 1.00 0.00 O ATOM 0 H GLU A 71 -3.945 -17.471 -12.262 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.469 -19.661 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.010 -19.741 -14.271 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.569 -19.971 -12.591 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.977 -22.014 -12.465 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.534 -21.762 -14.107 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.856 -20.620 -11.206 1.00 0.00 N ATOM 1159 CA ALA A 72 -6.191 -21.023 -9.846 1.00 0.00 C ATOM 1160 C ALA A 72 -5.032 -21.810 -9.248 1.00 0.00 C ATOM 1161 O ALA A 72 -4.448 -22.668 -9.909 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.453 -21.887 -9.846 1.00 0.00 C ATOM 0 H ALA A 72 -6.388 -21.091 -11.938 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.374 -20.131 -9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.692 -22.181 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.284 -21.318 -10.264 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.284 -22.778 -10.450 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.696 -21.512 -7.997 1.00 0.00 N ATOM 1169 CA VAL A 73 -3.595 -22.199 -7.327 1.00 0.00 C ATOM 1170 C VAL A 73 -4.108 -23.437 -6.613 1.00 0.00 C ATOM 1171 O VAL A 73 -5.103 -23.377 -5.889 1.00 0.00 O ATOM 1172 CB VAL A 73 -2.942 -21.270 -6.307 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -1.754 -21.978 -5.651 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.455 -20.002 -7.010 1.00 0.00 C ATOM 0 H VAL A 73 -5.165 -20.806 -7.430 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.861 -22.490 -8.078 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.672 -21.005 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.290 -21.312 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.101 -22.880 -5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.024 -22.247 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.989 -19.338 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.727 -20.268 -7.777 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.301 -19.495 -7.473 1.00 0.00 H new ATOM 1184 N SER A 74 -3.432 -24.562 -6.813 1.00 0.00 N ATOM 1185 CA SER A 74 -3.844 -25.804 -6.172 1.00 0.00 C ATOM 1186 C SER A 74 -3.190 -25.946 -4.802 1.00 0.00 C ATOM 1187 O SER A 74 -3.775 -25.583 -3.783 1.00 0.00 O ATOM 1188 CB SER A 74 -3.464 -26.997 -7.051 1.00 0.00 C ATOM 1189 OG SER A 74 -2.056 -27.002 -7.253 1.00 0.00 O ATOM 0 H SER A 74 -2.606 -24.640 -7.406 1.00 0.00 H new ATOM 0 HA SER A 74 -4.926 -25.781 -6.041 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.778 -27.927 -6.578 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.980 -26.937 -8.009 1.00 0.00 H new ATOM 0 HG SER A 74 -1.702 -27.897 -7.067 1.00 0.00 H new ATOM 1195 N SER A 75 -1.970 -26.475 -4.786 1.00 0.00 N ATOM 1196 CA SER A 75 -1.241 -26.660 -3.534 1.00 0.00 C ATOM 1197 C SER A 75 0.259 -26.686 -3.788 1.00 0.00 C ATOM 1198 O SER A 75 0.784 -27.621 -4.391 1.00 0.00 O ATOM 1199 CB SER A 75 -1.671 -27.965 -2.866 1.00 0.00 C ATOM 1200 OG SER A 75 -1.281 -29.062 -3.682 1.00 0.00 O ATOM 0 H SER A 75 -1.468 -26.781 -5.619 1.00 0.00 H new ATOM 0 HA SER A 75 -1.472 -25.823 -2.875 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.214 -28.050 -1.880 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.751 -27.973 -2.718 1.00 0.00 H new ATOM 0 HG SER A 75 -0.588 -28.771 -4.312 1.00 0.00 H new ATOM 1206 N LEU A 76 0.941 -25.649 -3.316 1.00 0.00 N ATOM 1207 CA LEU A 76 2.383 -25.551 -3.487 1.00 0.00 C ATOM 1208 C LEU A 76 3.082 -26.695 -2.753 1.00 0.00 C ATOM 1209 O LEU A 76 4.040 -27.275 -3.261 1.00 0.00 O ATOM 1210 CB LEU A 76 2.874 -24.202 -2.945 1.00 0.00 C ATOM 1211 CG LEU A 76 2.625 -23.087 -3.978 1.00 0.00 C ATOM 1212 CD1 LEU A 76 3.542 -23.260 -5.210 1.00 0.00 C ATOM 1213 CD2 LEU A 76 1.154 -23.122 -4.412 1.00 0.00 C ATOM 0 H LEU A 76 0.519 -24.868 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 76 2.621 -25.622 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.357 -23.967 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.937 -24.261 -2.713 1.00 0.00 H new ATOM 0 HG LEU A 76 2.853 -22.125 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.346 -22.460 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.585 -23.219 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.342 -24.223 -5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.972 -22.335 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.929 -24.091 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.515 -22.965 -3.543 1.00 0.00 H new ATOM 1225 N GLU A 77 2.597 -27.006 -1.553 1.00 0.00 N ATOM 1226 CA GLU A 77 3.183 -28.077 -0.753 1.00 0.00 C ATOM 1227 C GLU A 77 4.672 -27.823 -0.532 1.00 0.00 C ATOM 1228 O GLU A 77 5.049 -26.954 0.252 1.00 0.00 O ATOM 1229 CB GLU A 77 2.986 -29.426 -1.453 1.00 0.00 C ATOM 1230 CG GLU A 77 1.493 -29.753 -1.538 1.00 0.00 C ATOM 1231 CD GLU A 77 0.917 -29.963 -0.140 1.00 0.00 C ATOM 1232 OE1 GLU A 77 1.695 -30.201 0.769 1.00 0.00 O ATOM 1233 OE2 GLU A 77 -0.292 -29.880 0.000 1.00 0.00 O ATOM 0 H GLU A 77 1.805 -26.535 -1.116 1.00 0.00 H new ATOM 0 HA GLU A 77 2.682 -28.099 0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.418 -29.394 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.509 -30.210 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.964 -28.942 -2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.344 -30.650 -2.139 1.00 0.00 H new ATOM 1240 N HIS A 78 5.511 -28.587 -1.228 1.00 0.00 N ATOM 1241 CA HIS A 78 6.958 -28.436 -1.100 1.00 0.00 C ATOM 1242 C HIS A 78 7.363 -28.298 0.366 1.00 0.00 C ATOM 1243 O HIS A 78 7.280 -27.216 0.945 1.00 0.00 O ATOM 1244 CB HIS A 78 7.427 -27.204 -1.877 1.00 0.00 C ATOM 1245 CG HIS A 78 8.922 -27.084 -1.770 1.00 0.00 C ATOM 1246 ND1 HIS A 78 9.538 -26.427 -0.716 1.00 0.00 N ATOM 1247 CD2 HIS A 78 9.939 -27.530 -2.578 1.00 0.00 C ATOM 1248 CE1 HIS A 78 10.867 -26.496 -0.915 1.00 0.00 C ATOM 1249 NE2 HIS A 78 11.166 -27.157 -2.035 1.00 0.00 N ATOM 0 H HIS A 78 5.216 -29.312 -1.882 1.00 0.00 H new ATOM 0 HA HIS A 78 7.430 -29.328 -1.511 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.132 -27.286 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.950 -26.308 -1.481 1.00 0.00 H new ATOM 0 HD1 HIS A 78 9.069 -25.974 0.068 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.807 -28.085 -3.495 1.00 0.00 H new ATOM 0 HE1 HIS A 78 11.602 -26.068 -0.249 1.00 0.00 H new ATOM 1257 N HIS A 79 7.804 -29.406 0.962 1.00 0.00 N ATOM 1258 CA HIS A 79 8.222 -29.404 2.366 1.00 0.00 C ATOM 1259 C HIS A 79 9.398 -30.351 2.576 1.00 0.00 C ATOM 1260 O HIS A 79 10.084 -30.725 1.625 1.00 0.00 O ATOM 1261 CB HIS A 79 7.053 -29.837 3.256 1.00 0.00 C ATOM 1262 CG HIS A 79 6.696 -31.266 2.955 1.00 0.00 C ATOM 1263 ND1 HIS A 79 7.122 -32.318 3.750 1.00 0.00 N ATOM 1264 CD2 HIS A 79 5.956 -31.833 1.948 1.00 0.00 C ATOM 1265 CE1 HIS A 79 6.640 -33.453 3.214 1.00 0.00 C ATOM 1266 NE2 HIS A 79 5.922 -33.215 2.115 1.00 0.00 N ATOM 0 H HIS A 79 7.881 -30.312 0.499 1.00 0.00 H new ATOM 0 HA HIS A 79 8.531 -28.394 2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 79 7.324 -29.732 4.307 1.00 0.00 H new ATOM 0 HB3 HIS A 79 6.192 -29.192 3.083 1.00 0.00 H new ATOM 0 HD2 HIS A 79 5.474 -31.290 1.148 1.00 0.00 H new ATOM 0 HE1 HIS A 79 6.813 -34.437 3.623 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.449 -33.899 1.524 1.00 0.00 H new ATOM 1274 N HIS A 80 9.629 -30.730 3.829 1.00 0.00 N ATOM 1275 CA HIS A 80 10.730 -31.629 4.156 1.00 0.00 C ATOM 1276 C HIS A 80 12.029 -31.144 3.520 1.00 0.00 C ATOM 1277 O HIS A 80 12.367 -31.530 2.401 1.00 0.00 O ATOM 1278 CB HIS A 80 10.418 -33.042 3.659 1.00 0.00 C ATOM 1279 CG HIS A 80 11.515 -33.977 4.088 1.00 0.00 C ATOM 1280 ND1 HIS A 80 12.726 -34.051 3.419 1.00 0.00 N ATOM 1281 CD2 HIS A 80 11.600 -34.881 5.118 1.00 0.00 C ATOM 1282 CE1 HIS A 80 13.481 -34.970 4.046 1.00 0.00 C ATOM 1283 NE2 HIS A 80 12.842 -35.507 5.089 1.00 0.00 N ATOM 0 H HIS A 80 9.073 -30.431 4.630 1.00 0.00 H new ATOM 0 HA HIS A 80 10.850 -31.641 5.239 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.462 -33.377 4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.327 -33.045 2.573 1.00 0.00 H new ATOM 0 HD1 HIS A 80 12.996 -33.507 2.599 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.821 -35.076 5.840 1.00 0.00 H new ATOM 0 HE1 HIS A 80 14.482 -35.241 3.743 1.00 0.00 H new ATOM 1291 N HIS A 81 12.755 -30.296 4.245 1.00 0.00 N ATOM 1292 CA HIS A 81 14.021 -29.762 3.749 1.00 0.00 C ATOM 1293 C HIS A 81 14.945 -29.419 4.913 1.00 0.00 C ATOM 1294 O HIS A 81 14.495 -29.259 6.047 1.00 0.00 O ATOM 1295 CB HIS A 81 13.767 -28.507 2.911 1.00 0.00 C ATOM 1296 CG HIS A 81 13.067 -27.476 3.753 1.00 0.00 C ATOM 1297 ND1 HIS A 81 11.699 -27.509 3.977 1.00 0.00 N ATOM 1298 CD2 HIS A 81 13.530 -26.377 4.432 1.00 0.00 C ATOM 1299 CE1 HIS A 81 11.391 -26.460 4.761 1.00 0.00 C ATOM 1300 NE2 HIS A 81 12.470 -25.737 5.068 1.00 0.00 N ATOM 0 H HIS A 81 12.490 -29.965 5.173 1.00 0.00 H new ATOM 0 HA HIS A 81 14.498 -30.521 3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 81 14.711 -28.108 2.538 1.00 0.00 H new ATOM 0 HB3 HIS A 81 13.160 -28.755 2.040 1.00 0.00 H new ATOM 0 HD2 HIS A 81 14.561 -26.057 4.468 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.392 -26.231 5.101 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.509 -24.896 5.645 1.00 0.00 H new ATOM 1308 N HIS A 82 16.242 -29.304 4.623 1.00 0.00 N ATOM 1309 CA HIS A 82 17.237 -28.977 5.649 1.00 0.00 C ATOM 1310 C HIS A 82 17.833 -27.597 5.395 1.00 0.00 C ATOM 1311 O HIS A 82 18.099 -27.225 4.252 1.00 0.00 O ATOM 1312 CB HIS A 82 18.354 -30.023 5.639 1.00 0.00 C ATOM 1313 CG HIS A 82 17.797 -31.357 6.054 1.00 0.00 C ATOM 1314 ND1 HIS A 82 17.584 -31.688 7.383 1.00 0.00 N ATOM 1315 CD2 HIS A 82 17.403 -32.454 5.327 1.00 0.00 C ATOM 1316 CE1 HIS A 82 17.084 -32.936 7.416 1.00 0.00 C ATOM 1317 NE2 HIS A 82 16.954 -33.450 6.190 1.00 0.00 N ATOM 0 H HIS A 82 16.629 -29.432 3.688 1.00 0.00 H new ATOM 0 HA HIS A 82 16.744 -28.976 6.621 1.00 0.00 H new ATOM 0 HB2 HIS A 82 18.791 -30.094 4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 82 19.153 -29.724 6.317 1.00 0.00 H new ATOM 0 HD2 HIS A 82 17.436 -32.532 4.250 1.00 0.00 H new ATOM 0 HE1 HIS A 82 16.820 -33.459 8.323 1.00 0.00 H new ATOM 0 HE2 HIS A 82 16.601 -34.374 5.940 1.00 0.00 H new ATOM 1325 N HIS A 83 18.039 -26.841 6.469 1.00 0.00 N ATOM 1326 CA HIS A 83 18.605 -25.503 6.353 1.00 0.00 C ATOM 1327 C HIS A 83 19.861 -25.524 5.488 1.00 0.00 C ATOM 1328 O HIS A 83 20.425 -24.463 5.272 1.00 0.00 O ATOM 1329 CB HIS A 83 18.948 -24.961 7.742 1.00 0.00 C ATOM 1330 CG HIS A 83 19.978 -25.849 8.384 1.00 0.00 C ATOM 1331 ND1 HIS A 83 19.659 -27.091 8.909 1.00 0.00 N ATOM 1332 CD2 HIS A 83 21.326 -25.689 8.593 1.00 0.00 C ATOM 1333 CE1 HIS A 83 20.790 -27.627 9.403 1.00 0.00 C ATOM 1334 NE2 HIS A 83 21.836 -26.813 9.237 1.00 0.00 N ATOM 1335 OXT HIS A 83 20.240 -26.598 5.054 1.00 0.00 O ATOM 0 H HIS A 83 17.824 -27.130 7.423 1.00 0.00 H new ATOM 0 HA HIS A 83 17.866 -24.855 5.882 1.00 0.00 H new ATOM 0 HB2 HIS A 83 19.328 -23.942 7.663 1.00 0.00 H new ATOM 0 HB3 HIS A 83 18.051 -24.920 8.360 1.00 0.00 H new ATOM 0 HD2 HIS A 83 21.902 -24.823 8.302 1.00 0.00 H new ATOM 0 HE1 HIS A 83 20.845 -28.596 9.876 1.00 0.00 H new ATOM 0 HE2 HIS A 83 22.801 -26.979 9.521 1.00 0.00 H new TER 1343 HIS A 83