USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 773 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc=0.000178 USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= -0.0269 (180deg=-0.235) USER MOD Single : A 7 LYS NZ :NH3+ 166:sc= -2.87 (180deg=-3.46!) USER MOD Single : A 8 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0948 K(o=-0.095,f=-1.2) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0259 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.198 F(o=-1.2,f=-0.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.39 F(o=-2.5!,f=-1.4) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.47) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.0421 X(o=-0.042,f=-0.5) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= -0.524 USER MOD Single : A 52 HIS : no HD1:sc= -0.742 K(o=-0.74,f=-1.8!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -123:sc= -13.2! (180deg=-26.5!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.937 K(o=-0.94,f=-2.4!) USER MOD Single : A 77 TYR OH : rot -120:sc= -3.17! USER MOD Single : A 83 LYS NZ :NH3+ 146:sc= -0.213 (180deg=-1.25!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 75.474 -6.544 -8.809 1.00 0.00 N ATOM 2 CA PRO A 1 76.386 -5.406 -9.139 1.00 0.00 C ATOM 3 C PRO A 1 75.752 -4.533 -10.225 1.00 0.00 C ATOM 4 O PRO A 1 74.570 -4.622 -10.492 1.00 0.00 O ATOM 5 CB PRO A 1 77.707 -5.984 -9.647 1.00 0.00 C ATOM 6 CG PRO A 1 77.577 -7.501 -9.618 1.00 0.00 C ATOM 7 CD PRO A 1 76.184 -7.830 -9.086 1.00 0.00 C ATOM 0 H2 PRO A 1 74.621 -6.485 -9.365 1.00 0.00 H new ATOM 0 H3 PRO A 1 75.195 -6.499 -7.829 1.00 0.00 H new ATOM 0 HA PRO A 1 76.558 -4.793 -8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 1 77.916 -5.635 -10.658 1.00 0.00 H new ATOM 0 HB3 PRO A 1 78.536 -5.657 -9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 1 77.715 -7.917 -10.616 1.00 0.00 H new ATOM 0 HG3 PRO A 1 78.345 -7.940 -8.981 1.00 0.00 H new ATOM 0 HD2 PRO A 1 75.629 -8.421 -9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 1 76.256 -8.428 -8.178 1.00 0.00 H new ATOM 17 N ILE A 2 76.528 -3.691 -10.851 1.00 0.00 N ATOM 18 CA ILE A 2 75.968 -2.815 -11.919 1.00 0.00 C ATOM 19 C ILE A 2 75.049 -3.640 -12.823 1.00 0.00 C ATOM 20 O ILE A 2 75.068 -4.854 -12.800 1.00 0.00 O ATOM 21 CB ILE A 2 77.111 -2.231 -12.751 1.00 0.00 C ATOM 22 CG1 ILE A 2 78.233 -1.768 -11.819 1.00 0.00 C ATOM 23 CG2 ILE A 2 76.597 -1.037 -13.559 1.00 0.00 C ATOM 24 CD1 ILE A 2 79.403 -2.749 -11.904 1.00 0.00 C ATOM 0 H ILE A 2 77.525 -3.572 -10.669 1.00 0.00 H new ATOM 0 HA ILE A 2 75.399 -2.004 -11.464 1.00 0.00 H new ATOM 0 HB ILE A 2 77.492 -2.993 -13.431 1.00 0.00 H new ATOM 0 HG12 ILE A 2 78.563 -0.767 -12.098 1.00 0.00 H new ATOM 0 HG13 ILE A 2 77.868 -1.709 -10.794 1.00 0.00 H new ATOM 0 HG21 ILE A 2 77.412 -0.621 -14.152 1.00 0.00 H new ATOM 0 HG22 ILE A 2 75.796 -1.364 -14.222 1.00 0.00 H new ATOM 0 HG23 ILE A 2 76.217 -0.274 -12.879 1.00 0.00 H new ATOM 0 HD11 ILE A 2 80.203 -2.420 -11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 2 79.068 -3.742 -11.604 1.00 0.00 H new ATOM 0 HD13 ILE A 2 79.774 -2.785 -12.928 1.00 0.00 H new ATOM 36 N THR A 3 74.244 -2.991 -13.619 1.00 0.00 N ATOM 37 CA THR A 3 73.328 -3.738 -14.518 1.00 0.00 C ATOM 38 C THR A 3 72.472 -2.758 -15.334 1.00 0.00 C ATOM 39 O THR A 3 72.778 -1.587 -15.439 1.00 0.00 O ATOM 40 CB THR A 3 72.437 -4.679 -13.687 1.00 0.00 C ATOM 41 OG1 THR A 3 72.146 -5.841 -14.451 1.00 0.00 O ATOM 42 CG2 THR A 3 71.126 -3.991 -13.297 1.00 0.00 C ATOM 0 H THR A 3 74.183 -1.975 -13.684 1.00 0.00 H new ATOM 0 HA THR A 3 73.916 -4.338 -15.213 1.00 0.00 H new ATOM 0 HB THR A 3 72.971 -4.948 -12.776 1.00 0.00 H new ATOM 0 HG1 THR A 3 71.580 -6.445 -13.926 1.00 0.00 H new ATOM 0 HG21 THR A 3 70.515 -4.678 -12.711 1.00 0.00 H new ATOM 0 HG22 THR A 3 71.344 -3.102 -12.704 1.00 0.00 H new ATOM 0 HG23 THR A 3 70.584 -3.703 -14.198 1.00 0.00 H new ATOM 50 N LYS A 4 71.409 -3.240 -15.921 1.00 0.00 N ATOM 51 CA LYS A 4 70.536 -2.353 -16.742 1.00 0.00 C ATOM 52 C LYS A 4 69.926 -1.256 -15.867 1.00 0.00 C ATOM 53 O LYS A 4 70.226 -0.089 -16.023 1.00 0.00 O ATOM 54 CB LYS A 4 69.414 -3.186 -17.365 1.00 0.00 C ATOM 55 CG LYS A 4 69.795 -3.567 -18.796 1.00 0.00 C ATOM 56 CD LYS A 4 68.536 -3.969 -19.568 1.00 0.00 C ATOM 57 CE LYS A 4 68.627 -5.445 -19.959 1.00 0.00 C ATOM 58 NZ LYS A 4 69.713 -5.627 -20.963 1.00 0.00 N ATOM 0 H LYS A 4 71.107 -4.213 -15.867 1.00 0.00 H new ATOM 0 HA LYS A 4 71.135 -1.890 -17.526 1.00 0.00 H new ATOM 0 HB2 LYS A 4 69.241 -4.084 -16.772 1.00 0.00 H new ATOM 0 HB3 LYS A 4 68.483 -2.620 -17.364 1.00 0.00 H new ATOM 0 HG2 LYS A 4 70.285 -2.727 -19.289 1.00 0.00 H new ATOM 0 HG3 LYS A 4 70.508 -4.391 -18.787 1.00 0.00 H new ATOM 0 HD2 LYS A 4 67.651 -3.798 -18.955 1.00 0.00 H new ATOM 0 HD3 LYS A 4 68.431 -3.351 -20.460 1.00 0.00 H new ATOM 0 HE2 LYS A 4 68.826 -6.054 -19.077 1.00 0.00 H new ATOM 0 HE3 LYS A 4 67.676 -5.782 -20.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 69.521 -6.476 -21.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 69.753 -4.795 -21.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 70.624 -5.737 -20.473 1.00 0.00 H new ATOM 72 N GLU A 5 69.062 -1.616 -14.955 1.00 0.00 N ATOM 73 CA GLU A 5 68.426 -0.589 -14.086 1.00 0.00 C ATOM 74 C GLU A 5 69.292 -0.327 -12.863 1.00 0.00 C ATOM 75 O GLU A 5 68.854 0.233 -11.877 1.00 0.00 O ATOM 76 CB GLU A 5 67.055 -1.081 -13.639 1.00 0.00 C ATOM 77 CG GLU A 5 65.962 -0.271 -14.340 1.00 0.00 C ATOM 78 CD GLU A 5 64.748 -0.149 -13.418 1.00 0.00 C ATOM 79 OE1 GLU A 5 64.885 0.454 -12.366 1.00 0.00 O ATOM 80 OE2 GLU A 5 63.701 -0.660 -13.780 1.00 0.00 O ATOM 0 H GLU A 5 68.771 -2.577 -14.776 1.00 0.00 H new ATOM 0 HA GLU A 5 68.319 0.337 -14.651 1.00 0.00 H new ATOM 0 HB2 GLU A 5 66.944 -2.140 -13.874 1.00 0.00 H new ATOM 0 HB3 GLU A 5 66.957 -0.982 -12.558 1.00 0.00 H new ATOM 0 HG2 GLU A 5 66.337 0.719 -14.598 1.00 0.00 H new ATOM 0 HG3 GLU A 5 65.676 -0.757 -15.273 1.00 0.00 H new ATOM 87 N GLU A 6 70.518 -0.716 -12.934 1.00 0.00 N ATOM 88 CA GLU A 6 71.446 -0.491 -11.799 1.00 0.00 C ATOM 89 C GLU A 6 72.139 0.852 -11.965 1.00 0.00 C ATOM 90 O GLU A 6 72.961 1.256 -11.166 1.00 0.00 O ATOM 91 CB GLU A 6 72.484 -1.603 -11.774 1.00 0.00 C ATOM 92 CG GLU A 6 71.986 -2.757 -10.903 1.00 0.00 C ATOM 93 CD GLU A 6 72.422 -2.528 -9.454 1.00 0.00 C ATOM 94 OE1 GLU A 6 73.035 -1.505 -9.195 1.00 0.00 O ATOM 95 OE2 GLU A 6 72.135 -3.379 -8.629 1.00 0.00 O ATOM 0 H GLU A 6 70.929 -1.188 -13.739 1.00 0.00 H new ATOM 0 HA GLU A 6 70.887 -0.492 -10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 6 72.676 -1.957 -12.787 1.00 0.00 H new ATOM 0 HB3 GLU A 6 73.428 -1.223 -11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 6 70.900 -2.827 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 6 72.386 -3.702 -11.269 1.00 0.00 H new ATOM 102 N LYS A 7 71.803 1.533 -13.003 1.00 0.00 N ATOM 103 CA LYS A 7 72.411 2.860 -13.273 1.00 0.00 C ATOM 104 C LYS A 7 71.381 3.788 -13.926 1.00 0.00 C ATOM 105 O LYS A 7 71.696 4.889 -14.329 1.00 0.00 O ATOM 106 CB LYS A 7 73.602 2.686 -14.214 1.00 0.00 C ATOM 107 CG LYS A 7 74.832 2.264 -13.409 1.00 0.00 C ATOM 108 CD LYS A 7 76.030 3.125 -13.818 1.00 0.00 C ATOM 109 CE LYS A 7 77.229 2.224 -14.113 1.00 0.00 C ATOM 110 NZ LYS A 7 77.723 1.621 -12.844 1.00 0.00 N ATOM 0 H LYS A 7 71.119 1.227 -13.695 1.00 0.00 H new ATOM 0 HA LYS A 7 72.742 3.300 -12.332 1.00 0.00 H new ATOM 0 HB2 LYS A 7 73.374 1.935 -14.971 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.802 3.619 -14.741 1.00 0.00 H new ATOM 0 HG2 LYS A 7 74.638 2.376 -12.342 1.00 0.00 H new ATOM 0 HG3 LYS A 7 75.051 1.211 -13.584 1.00 0.00 H new ATOM 0 HD2 LYS A 7 75.782 3.718 -14.699 1.00 0.00 H new ATOM 0 HD3 LYS A 7 76.276 3.826 -13.021 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.944 1.439 -14.814 1.00 0.00 H new ATOM 0 HE3 LYS A 7 78.023 2.801 -14.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.372 0.838 -13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 78.225 2.343 -12.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 76.917 1.260 -12.294 1.00 0.00 H new ATOM 124 N GLN A 8 70.153 3.357 -14.036 1.00 0.00 N ATOM 125 CA GLN A 8 69.114 4.222 -14.663 1.00 0.00 C ATOM 126 C GLN A 8 69.226 5.636 -14.094 1.00 0.00 C ATOM 127 O GLN A 8 68.940 6.611 -14.760 1.00 0.00 O ATOM 128 CB GLN A 8 67.726 3.657 -14.358 1.00 0.00 C ATOM 129 CG GLN A 8 67.662 3.224 -12.892 1.00 0.00 C ATOM 130 CD GLN A 8 66.260 3.490 -12.341 1.00 0.00 C ATOM 131 OE1 GLN A 8 65.536 4.314 -12.863 1.00 0.00 O ATOM 132 NE2 GLN A 8 65.844 2.823 -11.300 1.00 0.00 N ATOM 0 H GLN A 8 69.825 2.445 -13.719 1.00 0.00 H new ATOM 0 HA GLN A 8 69.263 4.249 -15.742 1.00 0.00 H new ATOM 0 HB2 GLN A 8 66.963 4.409 -14.560 1.00 0.00 H new ATOM 0 HB3 GLN A 8 67.516 2.808 -15.009 1.00 0.00 H new ATOM 0 HG2 GLN A 8 67.904 2.165 -12.804 1.00 0.00 H new ATOM 0 HG3 GLN A 8 68.403 3.770 -12.308 1.00 0.00 H new ATOM 0 HE21 GLN A 8 66.452 2.131 -10.861 1.00 0.00 H new ATOM 0 HE22 GLN A 8 64.911 2.993 -10.925 1.00 0.00 H new ATOM 141 N LYS A 9 69.646 5.753 -12.865 1.00 0.00 N ATOM 142 CA LYS A 9 69.782 7.101 -12.249 1.00 0.00 C ATOM 143 C LYS A 9 70.287 6.962 -10.813 1.00 0.00 C ATOM 144 O LYS A 9 69.968 7.757 -9.952 1.00 0.00 O ATOM 145 CB LYS A 9 68.423 7.801 -12.247 1.00 0.00 C ATOM 146 CG LYS A 9 67.372 6.882 -11.625 1.00 0.00 C ATOM 147 CD LYS A 9 66.012 7.144 -12.276 1.00 0.00 C ATOM 148 CE LYS A 9 65.657 8.627 -12.140 1.00 0.00 C ATOM 149 NZ LYS A 9 64.811 8.826 -10.929 1.00 0.00 N ATOM 0 H LYS A 9 69.901 4.972 -12.261 1.00 0.00 H new ATOM 0 HA LYS A 9 70.494 7.691 -12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.484 8.733 -11.685 1.00 0.00 H new ATOM 0 HB3 LYS A 9 68.136 8.061 -13.266 1.00 0.00 H new ATOM 0 HG2 LYS A 9 67.658 5.839 -11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 9 67.312 7.056 -10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.040 6.861 -13.328 1.00 0.00 H new ATOM 0 HD3 LYS A 9 65.246 6.531 -11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 9 66.566 9.224 -12.064 1.00 0.00 H new ATOM 0 HE3 LYS A 9 65.125 8.968 -13.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 64.569 9.833 -10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 63.938 8.268 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 65.334 8.516 -10.085 1.00 0.00 H new ATOM 163 N VAL A 10 71.073 5.957 -10.548 1.00 0.00 N ATOM 164 CA VAL A 10 71.600 5.766 -9.173 1.00 0.00 C ATOM 165 C VAL A 10 72.805 6.679 -8.959 1.00 0.00 C ATOM 166 O VAL A 10 72.844 7.472 -8.040 1.00 0.00 O ATOM 167 CB VAL A 10 72.026 4.308 -8.985 1.00 0.00 C ATOM 168 CG1 VAL A 10 72.250 4.030 -7.498 1.00 0.00 C ATOM 169 CG2 VAL A 10 70.928 3.384 -9.517 1.00 0.00 C ATOM 0 H VAL A 10 71.373 5.258 -11.228 1.00 0.00 H new ATOM 0 HA VAL A 10 70.823 6.013 -8.450 1.00 0.00 H new ATOM 0 HB VAL A 10 72.951 4.126 -9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 10 72.553 2.992 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 10 73.031 4.688 -7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 10 71.325 4.211 -6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.230 2.345 -9.384 1.00 0.00 H new ATOM 0 HG22 VAL A 10 70.003 3.566 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.768 3.582 -10.577 1.00 0.00 H new ATOM 179 N ILE A 11 73.790 6.570 -9.803 1.00 0.00 N ATOM 180 CA ILE A 11 74.996 7.425 -9.656 1.00 0.00 C ATOM 181 C ILE A 11 74.653 8.844 -10.073 1.00 0.00 C ATOM 182 O ILE A 11 74.984 9.808 -9.417 1.00 0.00 O ATOM 183 CB ILE A 11 76.139 6.868 -10.522 1.00 0.00 C ATOM 184 CG1 ILE A 11 76.180 7.492 -11.933 1.00 0.00 C ATOM 185 CG2 ILE A 11 75.996 5.353 -10.644 1.00 0.00 C ATOM 186 CD1 ILE A 11 75.129 6.843 -12.827 1.00 0.00 C ATOM 0 H ILE A 11 73.811 5.923 -10.591 1.00 0.00 H new ATOM 0 HA ILE A 11 75.323 7.428 -8.616 1.00 0.00 H new ATOM 0 HB ILE A 11 77.073 7.129 -10.025 1.00 0.00 H new ATOM 0 HG12 ILE A 11 76.001 8.565 -11.869 1.00 0.00 H new ATOM 0 HG13 ILE A 11 77.170 7.359 -12.369 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.806 4.959 -11.258 1.00 0.00 H new ATOM 0 HG22 ILE A 11 76.040 4.902 -9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 11 75.040 5.114 -11.109 1.00 0.00 H new ATOM 0 HD11 ILE A 11 75.168 7.292 -13.819 1.00 0.00 H new ATOM 0 HD12 ILE A 11 75.327 5.774 -12.904 1.00 0.00 H new ATOM 0 HD13 ILE A 11 74.139 6.999 -12.397 1.00 0.00 H new ATOM 198 N GLN A 12 73.990 8.956 -11.175 1.00 0.00 N ATOM 199 CA GLN A 12 73.586 10.296 -11.695 1.00 0.00 C ATOM 200 C GLN A 12 73.184 11.170 -10.511 1.00 0.00 C ATOM 201 O GLN A 12 73.438 12.357 -10.474 1.00 0.00 O ATOM 202 CB GLN A 12 72.397 10.140 -12.646 1.00 0.00 C ATOM 203 CG GLN A 12 72.859 10.381 -14.085 1.00 0.00 C ATOM 204 CD GLN A 12 73.124 11.873 -14.292 1.00 0.00 C ATOM 205 OE1 GLN A 12 72.405 12.707 -13.778 1.00 0.00 O ATOM 206 NE2 GLN A 12 74.134 12.248 -15.028 1.00 0.00 N ATOM 0 H GLN A 12 73.701 8.168 -11.755 1.00 0.00 H new ATOM 0 HA GLN A 12 74.414 10.755 -12.236 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.971 9.141 -12.552 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.611 10.848 -12.382 1.00 0.00 H new ATOM 0 HG2 GLN A 12 73.764 9.808 -14.289 1.00 0.00 H new ATOM 0 HG3 GLN A 12 72.099 10.035 -14.785 1.00 0.00 H new ATOM 0 HE21 GLN A 12 74.738 11.549 -15.460 1.00 0.00 H new ATOM 0 HE22 GLN A 12 74.320 13.241 -15.172 1.00 0.00 H new ATOM 215 N GLU A 13 72.585 10.563 -9.525 1.00 0.00 N ATOM 216 CA GLU A 13 72.188 11.314 -8.312 1.00 0.00 C ATOM 217 C GLU A 13 73.337 11.248 -7.307 1.00 0.00 C ATOM 218 O GLU A 13 73.630 12.201 -6.610 1.00 0.00 O ATOM 219 CB GLU A 13 70.932 10.684 -7.704 1.00 0.00 C ATOM 220 CG GLU A 13 69.843 10.583 -8.774 1.00 0.00 C ATOM 221 CD GLU A 13 68.631 9.846 -8.201 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.184 10.224 -7.131 1.00 0.00 O ATOM 223 OE2 GLU A 13 68.170 8.915 -8.842 1.00 0.00 O ATOM 0 H GLU A 13 72.353 9.570 -9.512 1.00 0.00 H new ATOM 0 HA GLU A 13 71.973 12.352 -8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 13 71.163 9.694 -7.310 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.579 11.286 -6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.552 11.579 -9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 13 70.224 10.054 -9.647 1.00 0.00 H new ATOM 230 N PHE A 14 73.993 10.119 -7.233 1.00 0.00 N ATOM 231 CA PHE A 14 75.125 9.964 -6.290 1.00 0.00 C ATOM 232 C PHE A 14 76.428 10.387 -6.971 1.00 0.00 C ATOM 233 O PHE A 14 77.029 11.381 -6.619 1.00 0.00 O ATOM 234 CB PHE A 14 75.226 8.499 -5.863 1.00 0.00 C ATOM 235 CG PHE A 14 74.182 8.206 -4.813 1.00 0.00 C ATOM 236 CD1 PHE A 14 74.020 9.073 -3.727 1.00 0.00 C ATOM 237 CD2 PHE A 14 73.376 7.067 -4.926 1.00 0.00 C ATOM 238 CE1 PHE A 14 73.051 8.801 -2.753 1.00 0.00 C ATOM 239 CE2 PHE A 14 72.408 6.794 -3.952 1.00 0.00 C ATOM 240 CZ PHE A 14 72.246 7.662 -2.866 1.00 0.00 C ATOM 0 H PHE A 14 73.786 9.293 -7.794 1.00 0.00 H new ATOM 0 HA PHE A 14 74.958 10.593 -5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 14 75.083 7.847 -6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 14 76.221 8.292 -5.469 1.00 0.00 H new ATOM 0 HD1 PHE A 14 74.642 9.952 -3.640 1.00 0.00 H new ATOM 0 HD2 PHE A 14 73.501 6.398 -5.765 1.00 0.00 H new ATOM 0 HE1 PHE A 14 72.925 9.470 -1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 14 71.787 5.915 -4.039 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.499 7.453 -2.115 1.00 0.00 H new ATOM 250 N ALA A 15 76.870 9.637 -7.945 1.00 0.00 N ATOM 251 CA ALA A 15 78.131 9.994 -8.645 1.00 0.00 C ATOM 252 C ALA A 15 77.934 11.281 -9.442 1.00 0.00 C ATOM 253 O ALA A 15 77.062 11.373 -10.283 1.00 0.00 O ATOM 254 CB ALA A 15 78.519 8.871 -9.606 1.00 0.00 C ATOM 0 H ALA A 15 76.410 8.792 -8.284 1.00 0.00 H new ATOM 0 HA ALA A 15 78.919 10.138 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 15 79.444 9.134 -10.119 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.665 7.947 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.725 8.729 -10.340 1.00 0.00 H new ATOM 260 N ARG A 16 78.746 12.270 -9.201 1.00 0.00 N ATOM 261 CA ARG A 16 78.608 13.537 -9.966 1.00 0.00 C ATOM 262 C ARG A 16 79.546 13.485 -11.166 1.00 0.00 C ATOM 263 O ARG A 16 80.042 14.491 -11.633 1.00 0.00 O ATOM 264 CB ARG A 16 78.970 14.726 -9.072 1.00 0.00 C ATOM 265 CG ARG A 16 80.232 14.397 -8.271 1.00 0.00 C ATOM 266 CD ARG A 16 79.840 13.907 -6.877 1.00 0.00 C ATOM 267 NE ARG A 16 79.428 15.069 -6.040 1.00 0.00 N ATOM 268 CZ ARG A 16 80.335 15.822 -5.478 1.00 0.00 C ATOM 269 NH1 ARG A 16 81.335 15.275 -4.843 1.00 0.00 N ATOM 270 NH2 ARG A 16 80.241 17.121 -5.550 1.00 0.00 N ATOM 0 H ARG A 16 79.496 12.256 -8.510 1.00 0.00 H new ATOM 0 HA ARG A 16 77.579 13.657 -10.305 1.00 0.00 H new ATOM 0 HB2 ARG A 16 79.134 15.615 -9.680 1.00 0.00 H new ATOM 0 HB3 ARG A 16 78.145 14.950 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 16 80.813 13.632 -8.786 1.00 0.00 H new ATOM 0 HG3 ARG A 16 80.866 15.280 -8.192 1.00 0.00 H new ATOM 0 HD2 ARG A 16 79.023 13.189 -6.949 1.00 0.00 H new ATOM 0 HD3 ARG A 16 80.679 13.390 -6.412 1.00 0.00 H new ATOM 0 HE ARG A 16 78.438 15.276 -5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 16 81.408 14.259 -4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 16 82.043 15.863 -4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 16 79.459 17.549 -6.045 1.00 0.00 H new ATOM 0 HH22 ARG A 16 80.950 17.709 -5.111 1.00 0.00 H new ATOM 284 N PHE A 17 79.795 12.308 -11.661 1.00 0.00 N ATOM 285 CA PHE A 17 80.704 12.158 -12.827 1.00 0.00 C ATOM 286 C PHE A 17 80.610 10.722 -13.338 1.00 0.00 C ATOM 287 O PHE A 17 80.049 9.870 -12.680 1.00 0.00 O ATOM 288 CB PHE A 17 82.138 12.455 -12.380 1.00 0.00 C ATOM 289 CG PHE A 17 82.457 13.908 -12.636 1.00 0.00 C ATOM 290 CD1 PHE A 17 82.356 14.433 -13.931 1.00 0.00 C ATOM 291 CD2 PHE A 17 82.854 14.733 -11.577 1.00 0.00 C ATOM 292 CE1 PHE A 17 82.653 15.781 -14.165 1.00 0.00 C ATOM 293 CE2 PHE A 17 83.150 16.081 -11.811 1.00 0.00 C ATOM 294 CZ PHE A 17 83.050 16.605 -13.105 1.00 0.00 C ATOM 0 H PHE A 17 79.404 11.436 -11.305 1.00 0.00 H new ATOM 0 HA PHE A 17 80.422 12.849 -13.621 1.00 0.00 H new ATOM 0 HB2 PHE A 17 82.254 12.228 -11.320 1.00 0.00 H new ATOM 0 HB3 PHE A 17 82.838 11.818 -12.921 1.00 0.00 H new ATOM 0 HD1 PHE A 17 82.049 13.798 -14.749 1.00 0.00 H new ATOM 0 HD2 PHE A 17 82.932 14.329 -10.578 1.00 0.00 H new ATOM 0 HE1 PHE A 17 82.576 16.185 -15.163 1.00 0.00 H new ATOM 0 HE2 PHE A 17 83.456 16.717 -10.993 1.00 0.00 H new ATOM 0 HZ PHE A 17 83.279 17.645 -13.286 1.00 0.00 H new ATOM 304 N PRO A 18 81.177 10.491 -14.491 1.00 0.00 N ATOM 305 CA PRO A 18 81.186 9.156 -15.106 1.00 0.00 C ATOM 306 C PRO A 18 82.191 8.256 -14.381 1.00 0.00 C ATOM 307 O PRO A 18 82.378 7.108 -14.728 1.00 0.00 O ATOM 308 CB PRO A 18 81.605 9.427 -16.553 1.00 0.00 C ATOM 309 CG PRO A 18 82.336 10.790 -16.546 1.00 0.00 C ATOM 310 CD PRO A 18 81.864 11.531 -15.284 1.00 0.00 C ATOM 0 HA PRO A 18 80.228 8.640 -15.050 1.00 0.00 H new ATOM 0 HB2 PRO A 18 82.259 8.637 -16.923 1.00 0.00 H new ATOM 0 HB3 PRO A 18 80.736 9.455 -17.210 1.00 0.00 H new ATOM 0 HG2 PRO A 18 83.417 10.651 -16.533 1.00 0.00 H new ATOM 0 HG3 PRO A 18 82.099 11.362 -17.443 1.00 0.00 H new ATOM 0 HD2 PRO A 18 82.703 11.960 -14.737 1.00 0.00 H new ATOM 0 HD3 PRO A 18 81.192 12.352 -15.532 1.00 0.00 H new ATOM 318 N GLY A 19 82.832 8.774 -13.365 1.00 0.00 N ATOM 319 CA GLY A 19 83.816 7.960 -12.604 1.00 0.00 C ATOM 320 C GLY A 19 83.548 8.107 -11.103 1.00 0.00 C ATOM 321 O GLY A 19 84.218 7.507 -10.285 1.00 0.00 O ATOM 0 H GLY A 19 82.713 9.730 -13.031 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.742 6.913 -12.897 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.830 8.285 -12.837 1.00 0.00 H new ATOM 325 N ASP A 20 82.572 8.898 -10.727 1.00 0.00 N ATOM 326 CA ASP A 20 82.274 9.069 -9.281 1.00 0.00 C ATOM 327 C ASP A 20 81.246 8.032 -8.847 1.00 0.00 C ATOM 328 O ASP A 20 80.613 8.149 -7.817 1.00 0.00 O ATOM 329 CB ASP A 20 81.740 10.478 -9.018 1.00 0.00 C ATOM 330 CG ASP A 20 82.778 11.280 -8.230 1.00 0.00 C ATOM 331 OD1 ASP A 20 83.913 11.338 -8.671 1.00 0.00 O ATOM 332 OD2 ASP A 20 82.417 11.823 -7.198 1.00 0.00 O ATOM 0 H ASP A 20 81.974 9.428 -11.361 1.00 0.00 H new ATOM 0 HA ASP A 20 83.190 8.930 -8.707 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.520 10.977 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 20 80.805 10.426 -8.460 1.00 0.00 H new ATOM 337 N THR A 21 81.099 7.012 -9.627 1.00 0.00 N ATOM 338 CA THR A 21 80.136 5.928 -9.290 1.00 0.00 C ATOM 339 C THR A 21 80.868 4.872 -8.470 1.00 0.00 C ATOM 340 O THR A 21 80.273 4.124 -7.719 1.00 0.00 O ATOM 341 CB THR A 21 79.599 5.297 -10.577 1.00 0.00 C ATOM 342 OG1 THR A 21 80.504 4.298 -11.024 1.00 0.00 O ATOM 343 CG2 THR A 21 79.451 6.372 -11.654 1.00 0.00 C ATOM 0 H THR A 21 81.610 6.875 -10.499 1.00 0.00 H new ATOM 0 HA THR A 21 79.300 6.334 -8.720 1.00 0.00 H new ATOM 0 HB THR A 21 78.625 4.847 -10.382 1.00 0.00 H new ATOM 0 HG1 THR A 21 80.162 3.891 -11.847 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.069 5.920 -12.569 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.756 7.138 -11.310 1.00 0.00 H new ATOM 0 HG23 THR A 21 80.422 6.825 -11.852 1.00 0.00 H new ATOM 351 N GLY A 22 82.164 4.819 -8.599 1.00 0.00 N ATOM 352 CA GLY A 22 82.951 3.827 -7.821 1.00 0.00 C ATOM 353 C GLY A 22 83.434 4.484 -6.529 1.00 0.00 C ATOM 354 O GLY A 22 84.021 3.847 -5.677 1.00 0.00 O ATOM 0 H GLY A 22 82.712 5.422 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.339 2.954 -7.594 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.801 3.477 -8.407 1.00 0.00 H new ATOM 358 N SER A 23 83.188 5.759 -6.375 1.00 0.00 N ATOM 359 CA SER A 23 83.631 6.455 -5.135 1.00 0.00 C ATOM 360 C SER A 23 83.112 5.692 -3.916 1.00 0.00 C ATOM 361 O SER A 23 82.537 4.628 -4.039 1.00 0.00 O ATOM 362 CB SER A 23 83.073 7.879 -5.120 1.00 0.00 C ATOM 363 OG SER A 23 81.745 7.857 -4.614 1.00 0.00 O ATOM 0 H SER A 23 82.701 6.345 -7.053 1.00 0.00 H new ATOM 0 HA SER A 23 84.720 6.493 -5.107 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.700 8.521 -4.501 1.00 0.00 H new ATOM 0 HB3 SER A 23 83.084 8.297 -6.127 1.00 0.00 H new ATOM 0 HG SER A 23 81.385 8.768 -4.601 1.00 0.00 H new ATOM 369 N THR A 24 83.308 6.222 -2.741 1.00 0.00 N ATOM 370 CA THR A 24 82.823 5.521 -1.520 1.00 0.00 C ATOM 371 C THR A 24 81.370 5.920 -1.248 1.00 0.00 C ATOM 372 O THR A 24 80.579 5.129 -0.779 1.00 0.00 O ATOM 373 CB THR A 24 83.694 5.911 -0.323 1.00 0.00 C ATOM 374 OG1 THR A 24 84.961 5.279 -0.438 1.00 0.00 O ATOM 375 CG2 THR A 24 83.015 5.468 0.973 1.00 0.00 C ATOM 0 H THR A 24 83.783 7.109 -2.574 1.00 0.00 H new ATOM 0 HA THR A 24 82.882 4.443 -1.673 1.00 0.00 H new ATOM 0 HB THR A 24 83.827 6.993 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.521 5.528 0.326 1.00 0.00 H new ATOM 0 HG21 THR A 24 83.637 5.747 1.823 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.043 5.954 1.059 1.00 0.00 H new ATOM 0 HG23 THR A 24 82.880 4.386 0.962 1.00 0.00 H new ATOM 383 N GLU A 25 81.014 7.141 -1.539 1.00 0.00 N ATOM 384 CA GLU A 25 79.615 7.590 -1.297 1.00 0.00 C ATOM 385 C GLU A 25 78.658 6.756 -2.149 1.00 0.00 C ATOM 386 O GLU A 25 77.711 6.176 -1.656 1.00 0.00 O ATOM 387 CB GLU A 25 79.486 9.059 -1.694 1.00 0.00 C ATOM 388 CG GLU A 25 80.020 9.943 -0.569 1.00 0.00 C ATOM 389 CD GLU A 25 79.503 11.371 -0.749 1.00 0.00 C ATOM 390 OE1 GLU A 25 79.294 11.764 -1.886 1.00 0.00 O ATOM 391 OE2 GLU A 25 79.325 12.047 0.250 1.00 0.00 O ATOM 0 H GLU A 25 81.633 7.848 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 25 79.368 7.466 -0.242 1.00 0.00 H new ATOM 0 HB2 GLU A 25 80.041 9.248 -2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.443 9.301 -1.896 1.00 0.00 H new ATOM 0 HG2 GLU A 25 79.704 9.550 0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.110 9.937 -0.574 1.00 0.00 H new ATOM 398 N VAL A 26 78.900 6.703 -3.427 1.00 0.00 N ATOM 399 CA VAL A 26 78.012 5.920 -4.329 1.00 0.00 C ATOM 400 C VAL A 26 77.902 4.481 -3.825 1.00 0.00 C ATOM 401 O VAL A 26 76.840 3.891 -3.839 1.00 0.00 O ATOM 402 CB VAL A 26 78.597 5.924 -5.742 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.654 5.180 -6.688 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.761 7.369 -6.218 1.00 0.00 C ATOM 0 H VAL A 26 79.680 7.171 -3.889 1.00 0.00 H new ATOM 0 HA VAL A 26 77.020 6.371 -4.342 1.00 0.00 H new ATOM 0 HB VAL A 26 79.568 5.429 -5.736 1.00 0.00 H new ATOM 0 HG11 VAL A 26 78.072 5.183 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.535 4.151 -6.348 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.683 5.674 -6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 26 79.178 7.375 -7.225 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.789 7.862 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 26 79.433 7.900 -5.544 1.00 0.00 H new ATOM 414 N GLN A 27 78.986 3.909 -3.380 1.00 0.00 N ATOM 415 CA GLN A 27 78.927 2.512 -2.880 1.00 0.00 C ATOM 416 C GLN A 27 78.202 2.485 -1.540 1.00 0.00 C ATOM 417 O GLN A 27 77.622 1.492 -1.157 1.00 0.00 O ATOM 418 CB GLN A 27 80.346 1.959 -2.713 1.00 0.00 C ATOM 419 CG GLN A 27 81.080 2.020 -4.054 1.00 0.00 C ATOM 420 CD GLN A 27 82.511 1.507 -3.877 1.00 0.00 C ATOM 421 OE1 GLN A 27 82.741 0.223 -3.918 1.00 0.00 O flip ATOM 422 NE2 GLN A 27 83.429 2.283 -3.701 1.00 0.00 N flip ATOM 0 H GLN A 27 79.906 4.348 -3.342 1.00 0.00 H new ATOM 0 HA GLN A 27 78.388 1.893 -3.597 1.00 0.00 H new ATOM 0 HB2 GLN A 27 80.887 2.537 -1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.307 0.930 -2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.555 1.417 -4.795 1.00 0.00 H new ATOM 0 HG3 GLN A 27 81.093 3.044 -4.427 1.00 0.00 H new ATOM 0 HE21 GLN A 27 83.249 3.287 -3.669 1.00 0.00 H new ATOM 0 HE22 GLN A 27 84.379 1.931 -3.585 1.00 0.00 H new ATOM 431 N VAL A 28 78.211 3.574 -0.828 1.00 0.00 N ATOM 432 CA VAL A 28 77.499 3.598 0.469 1.00 0.00 C ATOM 433 C VAL A 28 76.012 3.413 0.180 1.00 0.00 C ATOM 434 O VAL A 28 75.290 2.795 0.935 1.00 0.00 O ATOM 435 CB VAL A 28 77.745 4.941 1.163 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.731 5.146 2.294 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.160 4.954 1.746 1.00 0.00 C ATOM 0 H VAL A 28 78.679 4.442 -1.089 1.00 0.00 H new ATOM 0 HA VAL A 28 77.856 2.805 1.126 1.00 0.00 H new ATOM 0 HB VAL A 28 77.633 5.744 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.916 6.104 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.721 5.136 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.833 4.343 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.341 5.908 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.263 4.145 2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.885 4.819 0.944 1.00 0.00 H new ATOM 447 N ALA A 29 75.549 3.928 -0.925 1.00 0.00 N ATOM 448 CA ALA A 29 74.118 3.756 -1.267 1.00 0.00 C ATOM 449 C ALA A 29 73.895 2.310 -1.697 1.00 0.00 C ATOM 450 O ALA A 29 72.912 1.690 -1.342 1.00 0.00 O ATOM 451 CB ALA A 29 73.734 4.698 -2.406 1.00 0.00 C ATOM 0 H ALA A 29 76.100 4.457 -1.600 1.00 0.00 H new ATOM 0 HA ALA A 29 73.500 3.990 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.680 4.564 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 29 73.907 5.730 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.341 4.474 -3.283 1.00 0.00 H new ATOM 457 N LEU A 30 74.811 1.757 -2.447 1.00 0.00 N ATOM 458 CA LEU A 30 74.653 0.351 -2.874 1.00 0.00 C ATOM 459 C LEU A 30 75.027 -0.561 -1.701 1.00 0.00 C ATOM 460 O LEU A 30 74.849 -1.762 -1.751 1.00 0.00 O ATOM 461 CB LEU A 30 75.553 0.084 -4.090 1.00 0.00 C ATOM 462 CG LEU A 30 76.960 -0.328 -3.645 1.00 0.00 C ATOM 463 CD1 LEU A 30 76.970 -1.818 -3.302 1.00 0.00 C ATOM 464 CD2 LEU A 30 77.952 -0.060 -4.779 1.00 0.00 C ATOM 0 H LEU A 30 75.656 2.222 -2.778 1.00 0.00 H new ATOM 0 HA LEU A 30 73.622 0.150 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.116 -0.702 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 30 75.610 0.979 -4.710 1.00 0.00 H new ATOM 0 HG LEU A 30 77.247 0.250 -2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 30 77.971 -2.112 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.263 -2.010 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 30 76.683 -2.396 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 30 78.953 -0.353 -4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 30 77.665 -0.638 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 30 77.945 1.002 -5.025 1.00 0.00 H new ATOM 476 N LEU A 31 75.542 0.008 -0.638 1.00 0.00 N ATOM 477 CA LEU A 31 75.923 -0.810 0.537 1.00 0.00 C ATOM 478 C LEU A 31 74.645 -1.159 1.307 1.00 0.00 C ATOM 479 O LEU A 31 74.566 -2.155 1.997 1.00 0.00 O ATOM 480 CB LEU A 31 76.888 -0.002 1.427 1.00 0.00 C ATOM 481 CG LEU A 31 76.113 0.740 2.515 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.824 -0.213 3.675 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.938 1.922 3.028 1.00 0.00 C ATOM 0 H LEU A 31 75.712 1.009 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 31 76.425 -1.726 0.227 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.618 -0.670 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.445 0.710 0.818 1.00 0.00 H new ATOM 0 HG LEU A 31 75.176 1.108 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 31 75.271 0.316 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 31 75.231 -1.054 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.764 -0.581 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 31 76.379 2.446 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.878 1.557 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 31 77.145 2.606 2.205 1.00 0.00 H new ATOM 495 N THR A 32 73.650 -0.321 1.194 1.00 0.00 N ATOM 496 CA THR A 32 72.371 -0.562 1.914 1.00 0.00 C ATOM 497 C THR A 32 71.558 -1.636 1.179 1.00 0.00 C ATOM 498 O THR A 32 71.027 -2.545 1.782 1.00 0.00 O ATOM 499 CB THR A 32 71.595 0.773 1.999 1.00 0.00 C ATOM 500 OG1 THR A 32 71.186 0.989 3.341 1.00 0.00 O ATOM 501 CG2 THR A 32 70.357 0.760 1.092 1.00 0.00 C ATOM 0 H THR A 32 73.671 0.527 0.628 1.00 0.00 H new ATOM 0 HA THR A 32 72.562 -0.924 2.924 1.00 0.00 H new ATOM 0 HB THR A 32 72.255 1.574 1.666 1.00 0.00 H new ATOM 0 HG1 THR A 32 70.695 1.835 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 32 69.835 1.713 1.176 1.00 0.00 H new ATOM 0 HG22 THR A 32 70.665 0.605 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.691 -0.047 1.397 1.00 0.00 H new ATOM 509 N LEU A 33 71.449 -1.528 -0.116 1.00 0.00 N ATOM 510 CA LEU A 33 70.662 -2.535 -0.883 1.00 0.00 C ATOM 511 C LEU A 33 71.212 -3.939 -0.621 1.00 0.00 C ATOM 512 O LEU A 33 70.491 -4.833 -0.224 1.00 0.00 O ATOM 513 CB LEU A 33 70.757 -2.223 -2.378 1.00 0.00 C ATOM 514 CG LEU A 33 69.653 -2.971 -3.127 1.00 0.00 C ATOM 515 CD1 LEU A 33 68.694 -1.964 -3.766 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.279 -3.841 -4.221 1.00 0.00 C ATOM 0 H LEU A 33 71.870 -0.787 -0.676 1.00 0.00 H new ATOM 0 HA LEU A 33 69.621 -2.493 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 33 70.660 -1.150 -2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.734 -2.518 -2.760 1.00 0.00 H new ATOM 0 HG LEU A 33 69.104 -3.602 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 33 67.908 -2.498 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 33 68.248 -1.343 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 33 69.242 -1.333 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.493 -4.375 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.828 -3.209 -4.919 1.00 0.00 H new ATOM 0 HD23 LEU A 33 70.962 -4.560 -3.768 1.00 0.00 H new ATOM 528 N ARG A 34 72.479 -4.144 -0.850 1.00 0.00 N ATOM 529 CA ARG A 34 73.070 -5.494 -0.625 1.00 0.00 C ATOM 530 C ARG A 34 72.828 -5.940 0.820 1.00 0.00 C ATOM 531 O ARG A 34 72.953 -7.101 1.146 1.00 0.00 O ATOM 532 CB ARG A 34 74.576 -5.440 -0.893 1.00 0.00 C ATOM 533 CG ARG A 34 74.964 -6.574 -1.844 1.00 0.00 C ATOM 534 CD ARG A 34 75.623 -5.987 -3.093 1.00 0.00 C ATOM 535 NE ARG A 34 77.066 -6.358 -3.115 1.00 0.00 N ATOM 536 CZ ARG A 34 77.444 -7.483 -3.659 1.00 0.00 C ATOM 537 NH1 ARG A 34 77.408 -7.624 -4.956 1.00 0.00 N ATOM 538 NH2 ARG A 34 77.855 -8.466 -2.907 1.00 0.00 N ATOM 0 H ARG A 34 73.132 -3.435 -1.184 1.00 0.00 H new ATOM 0 HA ARG A 34 72.599 -6.206 -1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 34 74.845 -4.478 -1.328 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.127 -5.531 0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 34 75.649 -7.262 -1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.080 -7.149 -2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 34 75.127 -6.361 -3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 34 75.515 -4.902 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 34 77.759 -5.732 -2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 34 77.085 -6.856 -5.544 1.00 0.00 H new ATOM 0 HH12 ARG A 34 77.703 -8.503 -5.382 1.00 0.00 H new ATOM 0 HH21 ARG A 34 77.881 -8.356 -1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 34 78.150 -9.345 -3.333 1.00 0.00 H new ATOM 552 N ILE A 35 72.488 -5.029 1.689 1.00 0.00 N ATOM 553 CA ILE A 35 72.247 -5.397 3.102 1.00 0.00 C ATOM 554 C ILE A 35 70.817 -5.929 3.246 1.00 0.00 C ATOM 555 O ILE A 35 70.587 -7.005 3.762 1.00 0.00 O ATOM 556 CB ILE A 35 72.459 -4.136 3.959 1.00 0.00 C ATOM 557 CG1 ILE A 35 73.728 -4.298 4.792 1.00 0.00 C ATOM 558 CG2 ILE A 35 71.271 -3.885 4.889 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.774 -3.302 4.300 1.00 0.00 C ATOM 0 H ILE A 35 72.367 -4.039 1.474 1.00 0.00 H new ATOM 0 HA ILE A 35 72.932 -6.178 3.431 1.00 0.00 H new ATOM 0 HB ILE A 35 72.552 -3.281 3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 35 73.511 -4.126 5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 35 74.108 -5.316 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 35 71.454 -2.987 5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 35 70.366 -3.751 4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 35 71.144 -4.738 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 35 75.685 -3.410 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.996 -3.496 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 35 74.390 -2.288 4.408 1.00 0.00 H new ATOM 571 N ASN A 36 69.861 -5.163 2.809 1.00 0.00 N ATOM 572 CA ASN A 36 68.437 -5.590 2.925 1.00 0.00 C ATOM 573 C ASN A 36 68.215 -6.910 2.182 1.00 0.00 C ATOM 574 O ASN A 36 67.562 -7.806 2.681 1.00 0.00 O ATOM 575 CB ASN A 36 67.533 -4.512 2.324 1.00 0.00 C ATOM 576 CG ASN A 36 67.242 -3.442 3.377 1.00 0.00 C ATOM 577 OD1 ASN A 36 66.194 -3.445 3.990 1.00 0.00 O ATOM 578 ND2 ASN A 36 68.134 -2.518 3.614 1.00 0.00 N ATOM 0 H ASN A 36 70.003 -4.252 2.373 1.00 0.00 H new ATOM 0 HA ASN A 36 68.196 -5.732 3.978 1.00 0.00 H new ATOM 0 HB2 ASN A 36 68.015 -4.061 1.456 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.601 -4.957 1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 36 67.950 -1.799 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 36 69.015 -2.515 3.099 1.00 0.00 H new ATOM 585 N ARG A 37 68.737 -7.043 0.991 1.00 0.00 N ATOM 586 CA ARG A 37 68.531 -8.307 0.232 1.00 0.00 C ATOM 587 C ARG A 37 69.549 -9.356 0.664 1.00 0.00 C ATOM 588 O ARG A 37 69.685 -10.403 0.061 1.00 0.00 O ATOM 589 CB ARG A 37 68.671 -8.040 -1.266 1.00 0.00 C ATOM 590 CG ARG A 37 67.405 -8.504 -1.988 1.00 0.00 C ATOM 591 CD ARG A 37 67.773 -9.041 -3.372 1.00 0.00 C ATOM 592 NE ARG A 37 66.907 -10.209 -3.698 1.00 0.00 N ATOM 593 CZ ARG A 37 67.432 -11.399 -3.804 1.00 0.00 C ATOM 594 NH1 ARG A 37 68.454 -11.595 -4.593 1.00 0.00 N ATOM 595 NH2 ARG A 37 66.934 -12.394 -3.122 1.00 0.00 N ATOM 0 H ARG A 37 69.294 -6.334 0.515 1.00 0.00 H new ATOM 0 HA ARG A 37 67.529 -8.682 0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 37 68.834 -6.977 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 37 69.541 -8.566 -1.660 1.00 0.00 H new ATOM 0 HG2 ARG A 37 66.906 -9.279 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 37 66.703 -7.675 -2.083 1.00 0.00 H new ATOM 0 HD2 ARG A 37 67.647 -8.260 -4.122 1.00 0.00 H new ATOM 0 HD3 ARG A 37 68.822 -9.336 -3.392 1.00 0.00 H new ATOM 0 HE ARG A 37 65.905 -10.079 -3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 37 68.843 -10.818 -5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 37 68.864 -12.525 -4.675 1.00 0.00 H new ATOM 0 HH21 ARG A 37 66.135 -12.241 -2.507 1.00 0.00 H new ATOM 0 HH22 ARG A 37 67.344 -13.324 -3.204 1.00 0.00 H new ATOM 609 N LEU A 38 70.250 -9.081 1.710 1.00 0.00 N ATOM 610 CA LEU A 38 71.256 -10.043 2.222 1.00 0.00 C ATOM 611 C LEU A 38 70.595 -10.953 3.257 1.00 0.00 C ATOM 612 O LEU A 38 70.919 -12.118 3.378 1.00 0.00 O ATOM 613 CB LEU A 38 72.413 -9.280 2.870 1.00 0.00 C ATOM 614 CG LEU A 38 73.724 -9.653 2.176 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.552 -9.549 0.659 1.00 0.00 C ATOM 616 CD2 LEU A 38 74.828 -8.695 2.630 1.00 0.00 C ATOM 0 H LEU A 38 70.172 -8.217 2.246 1.00 0.00 H new ATOM 0 HA LEU A 38 71.642 -10.644 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 38 72.242 -8.206 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 38 72.471 -9.519 3.932 1.00 0.00 H new ATOM 0 HG LEU A 38 73.995 -10.676 2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.488 -9.815 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 38 72.765 -10.230 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 38 73.280 -8.527 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.764 -8.958 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 38 74.554 -7.673 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 38 74.953 -8.770 3.710 1.00 0.00 H new ATOM 628 N SER A 39 69.668 -10.422 4.006 1.00 0.00 N ATOM 629 CA SER A 39 68.977 -11.244 5.038 1.00 0.00 C ATOM 630 C SER A 39 68.104 -12.294 4.350 1.00 0.00 C ATOM 631 O SER A 39 68.029 -13.430 4.777 1.00 0.00 O ATOM 632 CB SER A 39 68.100 -10.336 5.902 1.00 0.00 C ATOM 633 OG SER A 39 67.298 -11.138 6.759 1.00 0.00 O ATOM 0 H SER A 39 69.359 -9.452 3.947 1.00 0.00 H new ATOM 0 HA SER A 39 69.716 -11.742 5.666 1.00 0.00 H new ATOM 0 HB2 SER A 39 68.723 -9.663 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 39 67.467 -9.713 5.270 1.00 0.00 H new ATOM 0 HG SER A 39 66.735 -10.560 7.316 1.00 0.00 H new ATOM 639 N GLU A 40 67.440 -11.924 3.289 1.00 0.00 N ATOM 640 CA GLU A 40 66.572 -12.896 2.577 1.00 0.00 C ATOM 641 C GLU A 40 67.371 -13.594 1.485 1.00 0.00 C ATOM 642 O GLU A 40 66.831 -14.141 0.544 1.00 0.00 O ATOM 643 CB GLU A 40 65.397 -12.159 1.947 1.00 0.00 C ATOM 644 CG GLU A 40 64.099 -12.554 2.655 1.00 0.00 C ATOM 645 CD GLU A 40 63.029 -12.885 1.613 1.00 0.00 C ATOM 646 OE1 GLU A 40 63.376 -13.472 0.602 1.00 0.00 O ATOM 647 OE2 GLU A 40 61.881 -12.545 1.845 1.00 0.00 O ATOM 0 H GLU A 40 67.463 -10.987 2.886 1.00 0.00 H new ATOM 0 HA GLU A 40 66.204 -13.637 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 40 65.549 -11.082 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 40 65.331 -12.400 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 40 64.272 -13.415 3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.759 -11.740 3.295 1.00 0.00 H new ATOM 654 N HIS A 41 68.654 -13.571 1.614 1.00 0.00 N ATOM 655 CA HIS A 41 69.528 -14.220 0.603 1.00 0.00 C ATOM 656 C HIS A 41 69.679 -15.704 0.933 1.00 0.00 C ATOM 657 O HIS A 41 69.074 -16.555 0.312 1.00 0.00 O ATOM 658 CB HIS A 41 70.904 -13.552 0.612 1.00 0.00 C ATOM 659 CG HIS A 41 71.147 -12.887 -0.715 1.00 0.00 C ATOM 660 ND1 HIS A 41 70.289 -12.360 -1.648 1.00 0.00 N flip ATOM 661 CD2 HIS A 41 72.423 -12.697 -1.224 1.00 0.00 C flip ATOM 662 CE1 HIS A 41 71.018 -11.851 -2.720 1.00 0.00 C flip ATOM 663 NE2 HIS A 41 72.297 -12.080 -2.413 1.00 0.00 N flip ATOM 0 H HIS A 41 69.149 -13.125 2.386 1.00 0.00 H new ATOM 0 HA HIS A 41 69.079 -14.113 -0.385 1.00 0.00 H new ATOM 0 HB2 HIS A 41 70.958 -12.817 1.415 1.00 0.00 H new ATOM 0 HB3 HIS A 41 71.679 -14.294 0.807 1.00 0.00 H new ATOM 0 HD2 HIS A 41 73.349 -12.991 -0.752 1.00 0.00 H new ATOM 0 HE1 HIS A 41 70.632 -11.374 -3.609 1.00 0.00 H new ATOM 0 HE2 HIS A 41 73.083 -11.819 -3.008 1.00 0.00 H new ATOM 671 N LEU A 42 70.487 -16.020 1.905 1.00 0.00 N ATOM 672 CA LEU A 42 70.693 -17.441 2.285 1.00 0.00 C ATOM 673 C LEU A 42 69.426 -17.990 2.947 1.00 0.00 C ATOM 674 O LEU A 42 69.343 -19.159 3.270 1.00 0.00 O ATOM 675 CB LEU A 42 71.856 -17.523 3.269 1.00 0.00 C ATOM 676 CG LEU A 42 73.142 -17.065 2.582 1.00 0.00 C ATOM 677 CD1 LEU A 42 74.295 -17.082 3.588 1.00 0.00 C ATOM 678 CD2 LEU A 42 73.463 -18.010 1.422 1.00 0.00 C ATOM 0 H LEU A 42 71.018 -15.346 2.457 1.00 0.00 H new ATOM 0 HA LEU A 42 70.914 -18.031 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 42 71.654 -16.898 4.139 1.00 0.00 H new ATOM 0 HB3 LEU A 42 71.969 -18.545 3.630 1.00 0.00 H new ATOM 0 HG LEU A 42 73.009 -16.052 2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 42 75.211 -16.755 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 42 74.067 -16.409 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 42 74.429 -18.094 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 42 74.380 -17.685 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 42 73.595 -19.023 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 42 72.643 -17.997 0.704 1.00 0.00 H new ATOM 690 N LYS A 43 68.435 -17.162 3.151 1.00 0.00 N ATOM 691 CA LYS A 43 67.177 -17.642 3.788 1.00 0.00 C ATOM 692 C LYS A 43 66.243 -18.219 2.727 1.00 0.00 C ATOM 693 O LYS A 43 65.055 -18.373 2.931 1.00 0.00 O ATOM 694 CB LYS A 43 66.486 -16.480 4.493 1.00 0.00 C ATOM 695 CG LYS A 43 66.546 -16.687 6.007 1.00 0.00 C ATOM 696 CD LYS A 43 65.130 -16.879 6.553 1.00 0.00 C ATOM 697 CE LYS A 43 64.615 -15.552 7.114 1.00 0.00 C ATOM 698 NZ LYS A 43 63.927 -14.790 6.035 1.00 0.00 N ATOM 0 H LYS A 43 68.444 -16.173 2.903 1.00 0.00 H new ATOM 0 HA LYS A 43 67.419 -18.418 4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 43 66.969 -15.540 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 43 65.448 -16.409 4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 43 67.159 -17.557 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 43 67.017 -15.828 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 43 64.469 -17.233 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 43 65.130 -17.640 7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 43 63.927 -15.736 7.939 1.00 0.00 H new ATOM 0 HE3 LYS A 43 65.444 -14.968 7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 63.577 -13.888 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 64.596 -14.603 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 63.127 -15.347 5.673 1.00 0.00 H new ATOM 712 N VAL A 44 66.791 -18.537 1.604 1.00 0.00 N ATOM 713 CA VAL A 44 65.998 -19.113 0.492 1.00 0.00 C ATOM 714 C VAL A 44 66.959 -19.849 -0.443 1.00 0.00 C ATOM 715 O VAL A 44 66.672 -20.921 -0.938 1.00 0.00 O ATOM 716 CB VAL A 44 65.297 -17.985 -0.266 1.00 0.00 C ATOM 717 CG1 VAL A 44 64.814 -18.496 -1.625 1.00 0.00 C ATOM 718 CG2 VAL A 44 64.099 -17.492 0.549 1.00 0.00 C ATOM 0 H VAL A 44 67.783 -18.420 1.400 1.00 0.00 H new ATOM 0 HA VAL A 44 65.245 -19.802 0.873 1.00 0.00 H new ATOM 0 HB VAL A 44 65.998 -17.164 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 44 64.315 -17.689 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 44 65.667 -18.845 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 44 64.115 -19.319 -1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 44 63.598 -16.688 0.010 1.00 0.00 H new ATOM 0 HG22 VAL A 44 63.401 -18.315 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 44 64.443 -17.122 1.515 1.00 0.00 H new ATOM 728 N HIS A 45 68.110 -19.277 -0.669 1.00 0.00 N ATOM 729 CA HIS A 45 69.118 -19.920 -1.549 1.00 0.00 C ATOM 730 C HIS A 45 69.264 -21.395 -1.166 1.00 0.00 C ATOM 731 O HIS A 45 68.968 -21.790 -0.055 1.00 0.00 O ATOM 732 CB HIS A 45 70.456 -19.204 -1.362 1.00 0.00 C ATOM 733 CG HIS A 45 70.569 -18.082 -2.358 1.00 0.00 C ATOM 734 ND1 HIS A 45 70.197 -18.232 -3.684 1.00 0.00 N ATOM 735 CD2 HIS A 45 71.009 -16.787 -2.234 1.00 0.00 C ATOM 736 CE1 HIS A 45 70.418 -17.056 -4.301 1.00 0.00 C ATOM 737 NE2 HIS A 45 70.913 -16.141 -3.463 1.00 0.00 N ATOM 0 H HIS A 45 68.395 -18.380 -0.275 1.00 0.00 H new ATOM 0 HA HIS A 45 68.804 -19.853 -2.590 1.00 0.00 H new ATOM 0 HB2 HIS A 45 70.532 -18.813 -0.347 1.00 0.00 H new ATOM 0 HB3 HIS A 45 71.278 -19.907 -1.495 1.00 0.00 H new ATOM 0 HD2 HIS A 45 71.374 -16.338 -1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 45 70.219 -16.874 -5.347 1.00 0.00 H new ATOM 0 HE2 HIS A 45 71.166 -15.177 -3.678 1.00 0.00 H new ATOM 745 N LYS A 46 69.713 -22.214 -2.077 1.00 0.00 N ATOM 746 CA LYS A 46 69.873 -23.658 -1.769 1.00 0.00 C ATOM 747 C LYS A 46 71.228 -23.892 -1.095 1.00 0.00 C ATOM 748 O LYS A 46 71.949 -24.810 -1.434 1.00 0.00 O ATOM 749 CB LYS A 46 69.799 -24.470 -3.064 1.00 0.00 C ATOM 750 CG LYS A 46 68.439 -25.164 -3.154 1.00 0.00 C ATOM 751 CD LYS A 46 68.617 -26.561 -3.752 1.00 0.00 C ATOM 752 CE LYS A 46 67.251 -27.238 -3.887 1.00 0.00 C ATOM 753 NZ LYS A 46 67.136 -28.328 -2.877 1.00 0.00 N ATOM 0 H LYS A 46 69.976 -21.942 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 46 69.075 -23.974 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 46 69.943 -23.816 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 46 70.599 -25.210 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 46 67.989 -25.235 -2.164 1.00 0.00 H new ATOM 0 HG3 LYS A 46 67.759 -24.577 -3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 46 69.098 -26.492 -4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 46 69.270 -27.159 -3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 46 66.455 -26.508 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 46 67.132 -27.644 -4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 66.208 -28.789 -2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 67.888 -29.029 -3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 67.232 -27.928 -1.922 1.00 0.00 H new ATOM 767 N LYS A 47 71.582 -23.070 -0.146 1.00 0.00 N ATOM 768 CA LYS A 47 72.889 -23.247 0.546 1.00 0.00 C ATOM 769 C LYS A 47 74.022 -23.180 -0.481 1.00 0.00 C ATOM 770 O LYS A 47 75.138 -23.578 -0.215 1.00 0.00 O ATOM 771 CB LYS A 47 72.917 -24.608 1.245 1.00 0.00 C ATOM 772 CG LYS A 47 71.546 -24.895 1.861 1.00 0.00 C ATOM 773 CD LYS A 47 71.729 -25.526 3.243 1.00 0.00 C ATOM 774 CE LYS A 47 70.374 -25.995 3.775 1.00 0.00 C ATOM 775 NZ LYS A 47 70.550 -26.584 5.132 1.00 0.00 N ATOM 0 H LYS A 47 71.022 -22.283 0.180 1.00 0.00 H new ATOM 0 HA LYS A 47 73.019 -22.456 1.285 1.00 0.00 H new ATOM 0 HB2 LYS A 47 73.177 -25.390 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.684 -24.615 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 47 70.972 -23.972 1.944 1.00 0.00 H new ATOM 0 HG3 LYS A 47 70.979 -25.566 1.216 1.00 0.00 H new ATOM 0 HD2 LYS A 47 72.418 -26.368 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 47 72.170 -24.803 3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 47 69.678 -25.157 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 47 69.942 -26.733 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 69.629 -26.903 5.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 71.200 -27.394 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 70.944 -25.867 5.773 1.00 0.00 H new ATOM 789 N ASP A 48 73.742 -22.678 -1.653 1.00 0.00 N ATOM 790 CA ASP A 48 74.801 -22.587 -2.696 1.00 0.00 C ATOM 791 C ASP A 48 76.000 -21.813 -2.143 1.00 0.00 C ATOM 792 O ASP A 48 77.075 -22.352 -1.975 1.00 0.00 O ATOM 793 CB ASP A 48 74.247 -21.861 -3.923 1.00 0.00 C ATOM 794 CG ASP A 48 73.299 -22.792 -4.682 1.00 0.00 C ATOM 795 OD1 ASP A 48 72.450 -23.390 -4.043 1.00 0.00 O ATOM 796 OD2 ASP A 48 73.439 -22.890 -5.890 1.00 0.00 O ATOM 0 H ASP A 48 72.826 -22.327 -1.932 1.00 0.00 H new ATOM 0 HA ASP A 48 75.118 -23.591 -2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 48 73.719 -20.958 -3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 48 75.064 -21.548 -4.573 1.00 0.00 H new ATOM 801 N HIS A 49 75.824 -20.551 -1.861 1.00 0.00 N ATOM 802 CA HIS A 49 76.954 -19.744 -1.321 1.00 0.00 C ATOM 803 C HIS A 49 78.015 -19.567 -2.409 1.00 0.00 C ATOM 804 O HIS A 49 78.810 -20.448 -2.665 1.00 0.00 O ATOM 805 CB HIS A 49 77.570 -20.467 -0.122 1.00 0.00 C ATOM 806 CG HIS A 49 77.576 -19.548 1.069 1.00 0.00 C ATOM 807 ND1 HIS A 49 78.403 -18.438 1.143 1.00 0.00 N ATOM 808 CD2 HIS A 49 76.860 -19.561 2.241 1.00 0.00 C ATOM 809 CE1 HIS A 49 78.167 -17.835 2.323 1.00 0.00 C ATOM 810 NE2 HIS A 49 77.235 -18.479 3.032 1.00 0.00 N ATOM 0 H HIS A 49 74.947 -20.044 -1.981 1.00 0.00 H new ATOM 0 HA HIS A 49 76.587 -18.767 -1.006 1.00 0.00 H new ATOM 0 HB2 HIS A 49 77.001 -21.369 0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 49 78.587 -20.782 -0.357 1.00 0.00 H new ATOM 0 HD2 HIS A 49 76.118 -20.299 2.508 1.00 0.00 H new ATOM 0 HE1 HIS A 49 78.670 -16.939 2.656 1.00 0.00 H new ATOM 0 HE2 HIS A 49 76.876 -18.231 3.954 1.00 0.00 H new ATOM 818 N HIS A 50 78.032 -18.432 -3.054 1.00 0.00 N ATOM 819 CA HIS A 50 79.040 -18.201 -4.126 1.00 0.00 C ATOM 820 C HIS A 50 79.541 -16.767 -4.047 1.00 0.00 C ATOM 821 O HIS A 50 80.027 -16.201 -5.006 1.00 0.00 O ATOM 822 CB HIS A 50 78.396 -18.433 -5.483 1.00 0.00 C ATOM 823 CG HIS A 50 79.053 -19.602 -6.164 1.00 0.00 C ATOM 824 ND1 HIS A 50 78.499 -20.872 -6.151 1.00 0.00 N ATOM 825 CD2 HIS A 50 80.218 -19.709 -6.882 1.00 0.00 C ATOM 826 CE1 HIS A 50 79.322 -21.682 -6.840 1.00 0.00 C ATOM 827 NE2 HIS A 50 80.387 -21.023 -7.307 1.00 0.00 N ATOM 0 H HIS A 50 77.392 -17.656 -2.885 1.00 0.00 H new ATOM 0 HA HIS A 50 79.875 -18.889 -3.995 1.00 0.00 H new ATOM 0 HB2 HIS A 50 77.329 -18.623 -5.362 1.00 0.00 H new ATOM 0 HB3 HIS A 50 78.493 -17.539 -6.100 1.00 0.00 H new ATOM 0 HD2 HIS A 50 80.900 -18.897 -7.086 1.00 0.00 H new ATOM 0 HE1 HIS A 50 79.144 -22.736 -6.997 1.00 0.00 H new ATOM 0 HE2 HIS A 50 81.158 -21.402 -7.857 1.00 0.00 H new ATOM 835 N SER A 51 79.420 -16.186 -2.903 1.00 0.00 N ATOM 836 CA SER A 51 79.879 -14.783 -2.714 1.00 0.00 C ATOM 837 C SER A 51 79.673 -14.366 -1.257 1.00 0.00 C ATOM 838 O SER A 51 78.861 -14.928 -0.548 1.00 0.00 O ATOM 839 CB SER A 51 79.077 -13.856 -3.628 1.00 0.00 C ATOM 840 OG SER A 51 77.912 -14.533 -4.078 1.00 0.00 O ATOM 0 H SER A 51 79.018 -16.622 -2.073 1.00 0.00 H new ATOM 0 HA SER A 51 80.938 -14.713 -2.963 1.00 0.00 H new ATOM 0 HB2 SER A 51 78.800 -12.948 -3.092 1.00 0.00 H new ATOM 0 HB3 SER A 51 79.685 -13.550 -4.479 1.00 0.00 H new ATOM 0 HG SER A 51 77.395 -13.941 -4.663 1.00 0.00 H new ATOM 846 N HIS A 52 80.402 -13.382 -0.805 1.00 0.00 N ATOM 847 CA HIS A 52 80.250 -12.926 0.605 1.00 0.00 C ATOM 848 C HIS A 52 81.226 -11.780 0.878 1.00 0.00 C ATOM 849 O HIS A 52 81.719 -11.620 1.977 1.00 0.00 O ATOM 850 CB HIS A 52 80.552 -14.088 1.551 1.00 0.00 C ATOM 851 CG HIS A 52 81.796 -14.797 1.091 1.00 0.00 C ATOM 852 ND1 HIS A 52 83.025 -14.159 1.011 1.00 0.00 N ATOM 853 CD2 HIS A 52 82.018 -16.089 0.682 1.00 0.00 C ATOM 854 CE1 HIS A 52 83.922 -15.059 0.570 1.00 0.00 C ATOM 855 NE2 HIS A 52 83.362 -16.252 0.354 1.00 0.00 N ATOM 0 H HIS A 52 81.097 -12.874 -1.352 1.00 0.00 H new ATOM 0 HA HIS A 52 79.229 -12.581 0.767 1.00 0.00 H new ATOM 0 HB2 HIS A 52 80.686 -13.718 2.568 1.00 0.00 H new ATOM 0 HB3 HIS A 52 79.712 -14.782 1.572 1.00 0.00 H new ATOM 0 HD2 HIS A 52 81.265 -16.861 0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 52 84.968 -14.843 0.410 1.00 0.00 H new ATOM 0 HE2 HIS A 52 83.820 -17.100 0.021 1.00 0.00 H new ATOM 863 N ARG A 53 81.509 -10.984 -0.115 1.00 0.00 N ATOM 864 CA ARG A 53 82.452 -9.850 0.081 1.00 0.00 C ATOM 865 C ARG A 53 81.812 -8.805 0.996 1.00 0.00 C ATOM 866 O ARG A 53 82.472 -8.197 1.816 1.00 0.00 O ATOM 867 CB ARG A 53 82.773 -9.215 -1.272 1.00 0.00 C ATOM 868 CG ARG A 53 83.412 -10.259 -2.190 1.00 0.00 C ATOM 869 CD ARG A 53 84.841 -9.833 -2.531 1.00 0.00 C ATOM 870 NE ARG A 53 84.814 -8.518 -3.233 1.00 0.00 N ATOM 871 CZ ARG A 53 85.034 -8.461 -4.518 1.00 0.00 C ATOM 872 NH1 ARG A 53 84.387 -9.255 -5.327 1.00 0.00 N ATOM 873 NH2 ARG A 53 85.901 -7.610 -4.995 1.00 0.00 N ATOM 0 H ARG A 53 81.126 -11.071 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 53 83.371 -10.217 0.538 1.00 0.00 H new ATOM 0 HB2 ARG A 53 81.863 -8.824 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 53 83.450 -8.371 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 53 83.419 -11.233 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 53 82.825 -10.364 -3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 53 85.437 -9.759 -1.621 1.00 0.00 H new ATOM 0 HD3 ARG A 53 85.315 -10.585 -3.162 1.00 0.00 H new ATOM 0 HE ARG A 53 84.624 -7.664 -2.709 1.00 0.00 H new ATOM 0 HH11 ARG A 53 83.709 -9.920 -4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 53 84.559 -9.210 -6.331 1.00 0.00 H new ATOM 0 HH21 ARG A 53 86.407 -6.989 -4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 53 86.073 -7.566 -5.999 1.00 0.00 H new ATOM 887 N GLY A 54 80.532 -8.587 0.861 1.00 0.00 N ATOM 888 CA GLY A 54 79.853 -7.577 1.721 1.00 0.00 C ATOM 889 C GLY A 54 78.647 -8.217 2.412 1.00 0.00 C ATOM 890 O GLY A 54 77.669 -7.559 2.708 1.00 0.00 O ATOM 0 H GLY A 54 79.928 -9.065 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 54 80.549 -7.192 2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 54 79.531 -6.729 1.117 1.00 0.00 H new ATOM 894 N LEU A 55 78.707 -9.494 2.672 1.00 0.00 N ATOM 895 CA LEU A 55 77.565 -10.173 3.343 1.00 0.00 C ATOM 896 C LEU A 55 77.282 -9.496 4.684 1.00 0.00 C ATOM 897 O LEU A 55 77.633 -8.354 4.902 1.00 0.00 O ATOM 898 CB LEU A 55 77.910 -11.644 3.577 1.00 0.00 C ATOM 899 CG LEU A 55 76.838 -12.526 2.934 1.00 0.00 C ATOM 900 CD1 LEU A 55 77.124 -13.993 3.255 1.00 0.00 C ATOM 901 CD2 LEU A 55 75.463 -12.144 3.488 1.00 0.00 C ATOM 0 H LEU A 55 79.499 -10.097 2.448 1.00 0.00 H new ATOM 0 HA LEU A 55 76.681 -10.104 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 55 78.887 -11.872 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 55 77.972 -11.849 4.646 1.00 0.00 H new ATOM 0 HG LEU A 55 76.849 -12.381 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 55 76.360 -14.621 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 55 78.103 -14.267 2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 55 77.113 -14.138 4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 55 74.699 -12.772 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 55 75.453 -12.289 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 55 75.257 -11.098 3.261 1.00 0.00 H new ATOM 913 N LEU A 56 76.649 -10.198 5.582 1.00 0.00 N ATOM 914 CA LEU A 56 76.335 -9.612 6.913 1.00 0.00 C ATOM 915 C LEU A 56 77.532 -8.808 7.419 1.00 0.00 C ATOM 916 O LEU A 56 77.389 -7.861 8.165 1.00 0.00 O ATOM 917 CB LEU A 56 76.026 -10.743 7.893 1.00 0.00 C ATOM 918 CG LEU A 56 74.527 -11.042 7.872 1.00 0.00 C ATOM 919 CD1 LEU A 56 74.292 -12.507 8.249 1.00 0.00 C ATOM 920 CD2 LEU A 56 73.814 -10.137 8.880 1.00 0.00 C ATOM 0 H LEU A 56 76.334 -11.159 5.449 1.00 0.00 H new ATOM 0 HA LEU A 56 75.473 -8.950 6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 56 76.589 -11.636 7.623 1.00 0.00 H new ATOM 0 HB3 LEU A 56 76.337 -10.462 8.899 1.00 0.00 H new ATOM 0 HG LEU A 56 74.134 -10.857 6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 56 73.223 -12.720 8.234 1.00 0.00 H new ATOM 0 HD12 LEU A 56 74.801 -13.153 7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 56 74.685 -12.693 9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 56 72.745 -10.349 8.866 1.00 0.00 H new ATOM 0 HD22 LEU A 56 74.208 -10.324 9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 56 73.981 -9.093 8.613 1.00 0.00 H new ATOM 932 N MET A 57 78.709 -9.181 7.014 1.00 0.00 N ATOM 933 CA MET A 57 79.923 -8.443 7.464 1.00 0.00 C ATOM 934 C MET A 57 79.659 -6.938 7.387 1.00 0.00 C ATOM 935 O MET A 57 79.705 -6.239 8.379 1.00 0.00 O ATOM 936 CB MET A 57 81.103 -8.800 6.556 1.00 0.00 C ATOM 937 CG MET A 57 82.062 -9.726 7.306 1.00 0.00 C ATOM 938 SD MET A 57 83.758 -9.128 7.109 1.00 0.00 S ATOM 939 CE MET A 57 84.575 -10.456 8.028 1.00 0.00 C ATOM 0 H MET A 57 78.887 -9.967 6.389 1.00 0.00 H new ATOM 0 HA MET A 57 80.158 -8.721 8.491 1.00 0.00 H new ATOM 0 HB2 MET A 57 80.744 -9.288 5.650 1.00 0.00 H new ATOM 0 HB3 MET A 57 81.624 -7.894 6.245 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.798 -9.761 8.363 1.00 0.00 H new ATOM 0 HG3 MET A 57 81.977 -10.743 6.922 1.00 0.00 H new ATOM 0 HE1 MET A 57 85.652 -10.285 8.034 1.00 0.00 H new ATOM 0 HE2 MET A 57 84.204 -10.471 9.053 1.00 0.00 H new ATOM 0 HE3 MET A 57 84.362 -11.413 7.551 1.00 0.00 H new ATOM 949 N MET A 58 79.383 -6.434 6.215 1.00 0.00 N ATOM 950 CA MET A 58 79.117 -4.977 6.073 1.00 0.00 C ATOM 951 C MET A 58 77.902 -4.592 6.921 1.00 0.00 C ATOM 952 O MET A 58 77.860 -3.535 7.518 1.00 0.00 O ATOM 953 CB MET A 58 78.842 -4.648 4.605 1.00 0.00 C ATOM 954 CG MET A 58 77.466 -5.186 4.209 1.00 0.00 C ATOM 955 SD MET A 58 77.176 -4.868 2.451 1.00 0.00 S ATOM 956 CE MET A 58 75.582 -5.715 2.330 1.00 0.00 C ATOM 0 H MET A 58 79.331 -6.971 5.349 1.00 0.00 H new ATOM 0 HA MET A 58 79.987 -4.416 6.413 1.00 0.00 H new ATOM 0 HB2 MET A 58 78.881 -3.570 4.450 1.00 0.00 H new ATOM 0 HB3 MET A 58 79.612 -5.089 3.972 1.00 0.00 H new ATOM 0 HG2 MET A 58 77.411 -6.256 4.410 1.00 0.00 H new ATOM 0 HG3 MET A 58 76.691 -4.709 4.808 1.00 0.00 H new ATOM 0 HE1 MET A 58 75.638 -6.488 1.563 1.00 0.00 H new ATOM 0 HE2 MET A 58 75.339 -6.173 3.289 1.00 0.00 H new ATOM 0 HE3 MET A 58 74.807 -4.996 2.065 1.00 0.00 H new ATOM 966 N VAL A 59 76.913 -5.442 6.979 1.00 0.00 N ATOM 967 CA VAL A 59 75.705 -5.120 7.791 1.00 0.00 C ATOM 968 C VAL A 59 76.139 -4.650 9.180 1.00 0.00 C ATOM 969 O VAL A 59 75.481 -3.846 9.809 1.00 0.00 O ATOM 970 CB VAL A 59 74.830 -6.369 7.925 1.00 0.00 C ATOM 971 CG1 VAL A 59 73.636 -6.062 8.830 1.00 0.00 C ATOM 972 CG2 VAL A 59 74.325 -6.788 6.541 1.00 0.00 C ATOM 0 H VAL A 59 76.889 -6.343 6.501 1.00 0.00 H new ATOM 0 HA VAL A 59 75.136 -4.331 7.300 1.00 0.00 H new ATOM 0 HB VAL A 59 75.417 -7.178 8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 59 73.013 -6.952 8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 59 73.994 -5.762 9.815 1.00 0.00 H new ATOM 0 HG13 VAL A 59 73.049 -5.253 8.396 1.00 0.00 H new ATOM 0 HG21 VAL A 59 73.702 -7.677 6.635 1.00 0.00 H new ATOM 0 HG22 VAL A 59 73.739 -5.978 6.107 1.00 0.00 H new ATOM 0 HG23 VAL A 59 75.175 -7.007 5.895 1.00 0.00 H new ATOM 982 N GLY A 60 77.248 -5.143 9.660 1.00 0.00 N ATOM 983 CA GLY A 60 77.729 -4.722 11.006 1.00 0.00 C ATOM 984 C GLY A 60 78.692 -3.544 10.856 1.00 0.00 C ATOM 985 O GLY A 60 79.789 -3.556 11.378 1.00 0.00 O ATOM 0 H GLY A 60 77.841 -5.819 9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 60 76.884 -4.438 11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 60 78.229 -5.554 11.502 1.00 0.00 H new ATOM 989 N GLN A 61 78.292 -2.527 10.143 1.00 0.00 N ATOM 990 CA GLN A 61 79.179 -1.351 9.955 1.00 0.00 C ATOM 991 C GLN A 61 78.341 -0.140 9.578 1.00 0.00 C ATOM 992 O GLN A 61 78.807 0.797 8.961 1.00 0.00 O ATOM 993 CB GLN A 61 80.174 -1.639 8.841 1.00 0.00 C ATOM 994 CG GLN A 61 81.576 -1.808 9.431 1.00 0.00 C ATOM 995 CD GLN A 61 82.427 -2.660 8.487 1.00 0.00 C ATOM 996 OE1 GLN A 61 82.863 -3.735 8.848 1.00 0.00 O ATOM 997 NE2 GLN A 61 82.683 -2.222 7.285 1.00 0.00 N ATOM 0 H GLN A 61 77.385 -2.462 9.682 1.00 0.00 H new ATOM 0 HA GLN A 61 79.716 -1.150 10.882 1.00 0.00 H new ATOM 0 HB2 GLN A 61 79.883 -2.543 8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 61 80.170 -0.824 8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 61 82.041 -0.833 9.577 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.515 -2.282 10.411 1.00 0.00 H new ATOM 0 HE21 GLN A 61 82.317 -1.319 6.982 1.00 0.00 H new ATOM 0 HE22 GLN A 61 83.249 -2.782 6.648 1.00 0.00 H new ATOM 1006 N ARG A 62 77.107 -0.164 9.950 1.00 0.00 N ATOM 1007 CA ARG A 62 76.198 0.971 9.631 1.00 0.00 C ATOM 1008 C ARG A 62 75.764 1.653 10.931 1.00 0.00 C ATOM 1009 O ARG A 62 75.214 2.736 10.923 1.00 0.00 O ATOM 1010 CB ARG A 62 74.964 0.445 8.895 1.00 0.00 C ATOM 1011 CG ARG A 62 74.147 1.621 8.357 1.00 0.00 C ATOM 1012 CD ARG A 62 73.308 1.157 7.166 1.00 0.00 C ATOM 1013 NE ARG A 62 72.809 -0.224 7.418 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.530 -0.440 7.565 1.00 0.00 C ATOM 1015 NH1 ARG A 62 70.938 -0.115 8.681 1.00 0.00 N ATOM 1016 NH2 ARG A 62 70.844 -0.980 6.596 1.00 0.00 N ATOM 0 H ARG A 62 76.675 -0.928 10.469 1.00 0.00 H new ATOM 0 HA ARG A 62 76.719 1.689 8.998 1.00 0.00 H new ATOM 0 HB2 ARG A 62 75.267 -0.206 8.075 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.354 -0.156 9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 62 73.499 2.016 9.140 1.00 0.00 H new ATOM 0 HG3 ARG A 62 74.811 2.431 8.054 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.469 1.836 7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 62 73.907 1.178 6.255 1.00 0.00 H new ATOM 0 HE ARG A 62 73.467 -1.001 7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 62 71.474 0.308 9.439 1.00 0.00 H new ATOM 0 HH12 ARG A 62 69.939 -0.284 8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 62 71.307 -1.234 5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 62 69.845 -1.149 6.711 1.00 0.00 H new ATOM 1030 N ARG A 63 76.007 1.025 12.049 1.00 0.00 N ATOM 1031 CA ARG A 63 75.610 1.634 13.348 1.00 0.00 C ATOM 1032 C ARG A 63 76.284 3.000 13.502 1.00 0.00 C ATOM 1033 O ARG A 63 75.735 3.910 14.090 1.00 0.00 O ATOM 1034 CB ARG A 63 76.042 0.719 14.496 1.00 0.00 C ATOM 1035 CG ARG A 63 75.482 1.253 15.815 1.00 0.00 C ATOM 1036 CD ARG A 63 76.634 1.556 16.774 1.00 0.00 C ATOM 1037 NE ARG A 63 77.211 0.279 17.278 1.00 0.00 N ATOM 1038 CZ ARG A 63 77.027 -0.074 18.521 1.00 0.00 C ATOM 1039 NH1 ARG A 63 75.846 0.035 19.062 1.00 0.00 N ATOM 1040 NH2 ARG A 63 78.026 -0.537 19.221 1.00 0.00 N ATOM 0 H ARG A 63 76.464 0.116 12.118 1.00 0.00 H new ATOM 0 HA ARG A 63 74.528 1.760 13.372 1.00 0.00 H new ATOM 0 HB2 ARG A 63 75.683 -0.295 14.321 1.00 0.00 H new ATOM 0 HB3 ARG A 63 77.130 0.668 14.545 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.898 2.155 15.635 1.00 0.00 H new ATOM 0 HG3 ARG A 63 74.808 0.520 16.259 1.00 0.00 H new ATOM 0 HD2 ARG A 63 77.402 2.138 16.264 1.00 0.00 H new ATOM 0 HD3 ARG A 63 76.277 2.160 17.608 1.00 0.00 H new ATOM 0 HE ARG A 63 77.750 -0.320 16.652 1.00 0.00 H new ATOM 0 HH11 ARG A 63 75.065 0.396 18.514 1.00 0.00 H new ATOM 0 HH12 ARG A 63 75.703 -0.241 20.033 1.00 0.00 H new ATOM 0 HH21 ARG A 63 78.950 -0.623 18.797 1.00 0.00 H new ATOM 0 HH22 ARG A 63 77.883 -0.813 20.192 1.00 0.00 H new ATOM 1054 N ARG A 64 77.469 3.149 12.975 1.00 0.00 N ATOM 1055 CA ARG A 64 78.175 4.451 13.087 1.00 0.00 C ATOM 1056 C ARG A 64 79.059 4.658 11.855 1.00 0.00 C ATOM 1057 O ARG A 64 79.978 5.455 11.864 1.00 0.00 O ATOM 1058 CB ARG A 64 79.042 4.459 14.349 1.00 0.00 C ATOM 1059 CG ARG A 64 78.187 4.865 15.553 1.00 0.00 C ATOM 1060 CD ARG A 64 78.652 6.225 16.077 1.00 0.00 C ATOM 1061 NE ARG A 64 78.115 6.435 17.452 1.00 0.00 N ATOM 1062 CZ ARG A 64 78.302 7.576 18.058 1.00 0.00 C ATOM 1063 NH1 ARG A 64 79.442 7.826 18.641 1.00 0.00 N ATOM 1064 NH2 ARG A 64 77.347 8.465 18.083 1.00 0.00 N ATOM 0 H ARG A 64 77.977 2.422 12.471 1.00 0.00 H new ATOM 0 HA ARG A 64 77.443 5.257 13.149 1.00 0.00 H new ATOM 0 HB2 ARG A 64 79.474 3.472 14.513 1.00 0.00 H new ATOM 0 HB3 ARG A 64 79.873 5.154 14.228 1.00 0.00 H new ATOM 0 HG2 ARG A 64 77.137 4.914 15.266 1.00 0.00 H new ATOM 0 HG3 ARG A 64 78.268 4.114 16.339 1.00 0.00 H new ATOM 0 HD2 ARG A 64 79.741 6.270 16.089 1.00 0.00 H new ATOM 0 HD3 ARG A 64 78.308 7.019 15.415 1.00 0.00 H new ATOM 0 HE ARG A 64 77.602 5.687 17.919 1.00 0.00 H new ATOM 0 HH11 ARG A 64 80.187 7.130 18.623 1.00 0.00 H new ATOM 0 HH12 ARG A 64 79.588 8.718 19.114 1.00 0.00 H new ATOM 0 HH21 ARG A 64 76.455 8.268 17.629 1.00 0.00 H new ATOM 0 HH22 ARG A 64 77.493 9.357 18.556 1.00 0.00 H new ATOM 1078 N LEU A 65 78.786 3.950 10.793 1.00 0.00 N ATOM 1079 CA LEU A 65 79.600 4.105 9.561 1.00 0.00 C ATOM 1080 C LEU A 65 78.717 3.884 8.334 1.00 0.00 C ATOM 1081 O LEU A 65 79.154 3.338 7.340 1.00 0.00 O ATOM 1082 CB LEU A 65 80.742 3.085 9.557 1.00 0.00 C ATOM 1083 CG LEU A 65 81.228 2.849 10.987 1.00 0.00 C ATOM 1084 CD1 LEU A 65 80.318 1.830 11.674 1.00 0.00 C ATOM 1085 CD2 LEU A 65 82.660 2.312 10.954 1.00 0.00 C ATOM 0 H LEU A 65 78.030 3.268 10.729 1.00 0.00 H new ATOM 0 HA LEU A 65 80.018 5.111 9.535 1.00 0.00 H new ATOM 0 HB2 LEU A 65 80.403 2.147 9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 65 81.563 3.447 8.939 1.00 0.00 H new ATOM 0 HG LEU A 65 81.203 3.788 11.540 1.00 0.00 H new ATOM 0 HD11 LEU A 65 80.665 1.662 12.694 1.00 0.00 H new ATOM 0 HD12 LEU A 65 79.297 2.211 11.696 1.00 0.00 H new ATOM 0 HD13 LEU A 65 80.343 0.890 11.123 1.00 0.00 H new ATOM 0 HD21 LEU A 65 83.009 2.143 11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 65 82.684 1.373 10.402 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.309 3.037 10.464 1.00 0.00 H new ATOM 1097 N LEU A 66 77.481 4.313 8.385 1.00 0.00 N ATOM 1098 CA LEU A 66 76.590 4.132 7.203 1.00 0.00 C ATOM 1099 C LEU A 66 77.374 4.540 5.960 1.00 0.00 C ATOM 1100 O LEU A 66 77.512 3.784 5.019 1.00 0.00 O ATOM 1101 CB LEU A 66 75.351 5.018 7.347 1.00 0.00 C ATOM 1102 CG LEU A 66 74.558 5.004 6.038 1.00 0.00 C ATOM 1103 CD1 LEU A 66 73.113 4.589 6.320 1.00 0.00 C ATOM 1104 CD2 LEU A 66 74.573 6.404 5.419 1.00 0.00 C ATOM 0 H LEU A 66 77.055 4.777 9.187 1.00 0.00 H new ATOM 0 HA LEU A 66 76.266 3.094 7.126 1.00 0.00 H new ATOM 0 HB2 LEU A 66 74.728 4.659 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 66 75.647 6.038 7.594 1.00 0.00 H new ATOM 0 HG LEU A 66 75.012 4.294 5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 66 72.549 4.579 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 66 73.100 3.593 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 66 72.659 5.299 7.011 1.00 0.00 H new ATOM 0 HD21 LEU A 66 74.009 6.396 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 66 74.119 7.113 6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 66 75.602 6.702 5.218 1.00 0.00 H new ATOM 1116 N ARG A 67 77.917 5.724 5.972 1.00 0.00 N ATOM 1117 CA ARG A 67 78.725 6.187 4.823 1.00 0.00 C ATOM 1118 C ARG A 67 80.201 5.994 5.170 1.00 0.00 C ATOM 1119 O ARG A 67 81.053 5.927 4.306 1.00 0.00 O ATOM 1120 CB ARG A 67 78.446 7.670 4.561 1.00 0.00 C ATOM 1121 CG ARG A 67 79.354 8.171 3.437 1.00 0.00 C ATOM 1122 CD ARG A 67 79.262 9.696 3.347 1.00 0.00 C ATOM 1123 NE ARG A 67 80.377 10.213 2.505 1.00 0.00 N ATOM 1124 CZ ARG A 67 80.592 11.498 2.423 1.00 0.00 C ATOM 1125 NH1 ARG A 67 79.987 12.315 3.241 1.00 0.00 N ATOM 1126 NH2 ARG A 67 81.414 11.965 1.523 1.00 0.00 N ATOM 0 H ARG A 67 77.832 6.393 6.737 1.00 0.00 H new ATOM 0 HA ARG A 67 78.470 5.619 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 67 77.400 7.811 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 67 78.620 8.249 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 67 80.384 7.869 3.625 1.00 0.00 H new ATOM 0 HG3 ARG A 67 79.058 7.722 2.489 1.00 0.00 H new ATOM 0 HD2 ARG A 67 78.303 9.988 2.919 1.00 0.00 H new ATOM 0 HD3 ARG A 67 79.312 10.133 4.344 1.00 0.00 H new ATOM 0 HE ARG A 67 80.973 9.563 1.992 1.00 0.00 H new ATOM 0 HH11 ARG A 67 79.346 11.950 3.945 1.00 0.00 H new ATOM 0 HH12 ARG A 67 80.155 13.319 3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 67 81.888 11.326 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 67 81.583 12.969 1.458 1.00 0.00 H new ATOM 1140 N TYR A 68 80.500 5.903 6.445 1.00 0.00 N ATOM 1141 CA TYR A 68 81.911 5.709 6.896 1.00 0.00 C ATOM 1142 C TYR A 68 82.736 6.970 6.625 1.00 0.00 C ATOM 1143 O TYR A 68 83.913 7.027 6.918 1.00 0.00 O ATOM 1144 CB TYR A 68 82.526 4.524 6.159 1.00 0.00 C ATOM 1145 CG TYR A 68 83.955 4.338 6.608 1.00 0.00 C ATOM 1146 CD1 TYR A 68 84.275 4.401 7.968 1.00 0.00 C ATOM 1147 CD2 TYR A 68 84.961 4.105 5.662 1.00 0.00 C ATOM 1148 CE1 TYR A 68 85.601 4.230 8.385 1.00 0.00 C ATOM 1149 CE2 TYR A 68 86.286 3.934 6.077 1.00 0.00 C ATOM 1150 CZ TYR A 68 86.606 3.996 7.439 1.00 0.00 C ATOM 1151 OH TYR A 68 87.914 3.828 7.849 1.00 0.00 O ATOM 0 H TYR A 68 79.816 5.956 7.200 1.00 0.00 H new ATOM 0 HA TYR A 68 81.914 5.512 7.968 1.00 0.00 H new ATOM 0 HB2 TYR A 68 81.951 3.620 6.358 1.00 0.00 H new ATOM 0 HB3 TYR A 68 82.491 4.694 5.083 1.00 0.00 H new ATOM 0 HD1 TYR A 68 83.499 4.582 8.697 1.00 0.00 H new ATOM 0 HD2 TYR A 68 84.714 4.057 4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 68 85.848 4.279 9.435 1.00 0.00 H new ATOM 0 HE2 TYR A 68 87.062 3.754 5.347 1.00 0.00 H new ATOM 0 HH TYR A 68 88.485 3.674 7.067 1.00 0.00 H new ATOM 1161 N LEU A 69 82.127 7.981 6.077 1.00 0.00 N ATOM 1162 CA LEU A 69 82.868 9.235 5.798 1.00 0.00 C ATOM 1163 C LEU A 69 82.761 10.150 7.014 1.00 0.00 C ATOM 1164 O LEU A 69 83.591 11.009 7.236 1.00 0.00 O ATOM 1165 CB LEU A 69 82.261 9.921 4.568 1.00 0.00 C ATOM 1166 CG LEU A 69 82.959 11.262 4.307 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.413 12.318 5.270 1.00 0.00 C ATOM 1168 CD2 LEU A 69 84.470 11.114 4.513 1.00 0.00 C ATOM 0 H LEU A 69 81.143 7.991 5.810 1.00 0.00 H new ATOM 0 HA LEU A 69 83.917 9.016 5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 69 82.362 9.275 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.194 10.083 4.723 1.00 0.00 H new ATOM 0 HG LEU A 69 82.767 11.571 3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.909 13.271 5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 69 81.340 12.431 5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.600 12.005 6.297 1.00 0.00 H new ATOM 0 HD21 LEU A 69 84.958 12.070 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 69 84.668 10.800 5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 69 84.860 10.366 3.822 1.00 0.00 H new ATOM 1180 N GLN A 70 81.746 9.967 7.812 1.00 0.00 N ATOM 1181 CA GLN A 70 81.590 10.818 9.019 1.00 0.00 C ATOM 1182 C GLN A 70 82.845 10.690 9.881 1.00 0.00 C ATOM 1183 O GLN A 70 83.211 11.592 10.609 1.00 0.00 O ATOM 1184 CB GLN A 70 80.371 10.351 9.820 1.00 0.00 C ATOM 1185 CG GLN A 70 80.681 9.011 10.489 1.00 0.00 C ATOM 1186 CD GLN A 70 81.098 9.248 11.941 1.00 0.00 C ATOM 1187 OE1 GLN A 70 80.620 10.164 12.580 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.977 8.456 12.493 1.00 0.00 N ATOM 0 H GLN A 70 81.019 9.264 7.678 1.00 0.00 H new ATOM 0 HA GLN A 70 81.449 11.857 8.722 1.00 0.00 H new ATOM 0 HB2 GLN A 70 80.112 11.094 10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 70 79.508 10.250 9.162 1.00 0.00 H new ATOM 0 HG2 GLN A 70 79.805 8.363 10.453 1.00 0.00 H new ATOM 0 HG3 GLN A 70 81.478 8.499 9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 70 82.378 7.687 11.957 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.262 8.606 13.461 1.00 0.00 H new ATOM 1197 N ARG A 71 83.507 9.569 9.799 1.00 0.00 N ATOM 1198 CA ARG A 71 84.739 9.365 10.605 1.00 0.00 C ATOM 1199 C ARG A 71 85.870 10.220 10.031 1.00 0.00 C ATOM 1200 O ARG A 71 86.713 10.715 10.752 1.00 0.00 O ATOM 1201 CB ARG A 71 85.137 7.885 10.579 1.00 0.00 C ATOM 1202 CG ARG A 71 85.693 7.516 9.202 1.00 0.00 C ATOM 1203 CD ARG A 71 87.220 7.601 9.229 1.00 0.00 C ATOM 1204 NE ARG A 71 87.763 6.494 10.065 1.00 0.00 N ATOM 1205 CZ ARG A 71 88.740 6.726 10.900 1.00 0.00 C ATOM 1206 NH1 ARG A 71 89.849 7.262 10.473 1.00 0.00 N ATOM 1207 NH2 ARG A 71 88.606 6.421 12.162 1.00 0.00 N ATOM 0 H ARG A 71 83.245 8.783 9.205 1.00 0.00 H new ATOM 0 HA ARG A 71 84.551 9.662 11.637 1.00 0.00 H new ATOM 0 HB2 ARG A 71 85.885 7.688 11.347 1.00 0.00 H new ATOM 0 HB3 ARG A 71 84.272 7.263 10.809 1.00 0.00 H new ATOM 0 HG2 ARG A 71 85.379 6.508 8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 71 85.294 8.190 8.444 1.00 0.00 H new ATOM 0 HD2 ARG A 71 87.617 7.535 8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 71 87.534 8.564 9.632 1.00 0.00 H new ATOM 0 HE ARG A 71 87.372 5.555 9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 71 89.954 7.500 9.487 1.00 0.00 H new ATOM 0 HH12 ARG A 71 90.612 7.443 11.125 1.00 0.00 H new ATOM 0 HH21 ARG A 71 87.738 6.001 12.496 1.00 0.00 H new ATOM 0 HH22 ARG A 71 89.369 6.602 12.814 1.00 0.00 H new ATOM 1221 N GLU A 72 85.888 10.411 8.739 1.00 0.00 N ATOM 1222 CA GLU A 72 86.952 11.247 8.128 1.00 0.00 C ATOM 1223 C GLU A 72 86.458 12.681 8.019 1.00 0.00 C ATOM 1224 O GLU A 72 86.995 13.496 7.296 1.00 0.00 O ATOM 1225 CB GLU A 72 87.285 10.719 6.740 1.00 0.00 C ATOM 1226 CG GLU A 72 88.016 9.382 6.864 1.00 0.00 C ATOM 1227 CD GLU A 72 89.126 9.307 5.814 1.00 0.00 C ATOM 1228 OE1 GLU A 72 89.930 10.223 5.763 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.154 8.333 5.078 1.00 0.00 O ATOM 0 H GLU A 72 85.210 10.023 8.083 1.00 0.00 H new ATOM 0 HA GLU A 72 87.846 11.211 8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.372 10.593 6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.907 11.437 6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.439 9.278 7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.315 8.558 6.727 1.00 0.00 H new ATOM 1236 N ASP A 73 85.430 12.976 8.739 1.00 0.00 N ATOM 1237 CA ASP A 73 84.845 14.344 8.716 1.00 0.00 C ATOM 1238 C ASP A 73 83.473 14.312 9.398 1.00 0.00 C ATOM 1239 O ASP A 73 82.539 13.744 8.866 1.00 0.00 O ATOM 1240 CB ASP A 73 84.677 14.797 7.265 1.00 0.00 C ATOM 1241 CG ASP A 73 85.573 16.009 6.999 1.00 0.00 C ATOM 1242 OD1 ASP A 73 86.717 15.805 6.627 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.099 17.121 7.169 1.00 0.00 O ATOM 0 H ASP A 73 84.955 12.319 9.358 1.00 0.00 H new ATOM 0 HA ASP A 73 85.503 15.036 9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.937 13.984 6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 73 83.635 15.053 7.071 1.00 0.00 H new ATOM 1248 N PRO A 74 83.385 14.919 10.556 1.00 0.00 N ATOM 1249 CA PRO A 74 82.129 14.966 11.322 1.00 0.00 C ATOM 1250 C PRO A 74 81.173 15.971 10.688 1.00 0.00 C ATOM 1251 O PRO A 74 79.968 15.840 10.769 1.00 0.00 O ATOM 1252 CB PRO A 74 82.569 15.413 12.718 1.00 0.00 C ATOM 1253 CG PRO A 74 83.930 16.124 12.536 1.00 0.00 C ATOM 1254 CD PRO A 74 84.515 15.617 11.204 1.00 0.00 C ATOM 0 HA PRO A 74 81.597 14.015 11.347 1.00 0.00 H new ATOM 0 HB2 PRO A 74 81.835 16.086 13.160 1.00 0.00 H new ATOM 0 HB3 PRO A 74 82.663 14.559 13.388 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.802 17.206 12.516 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.600 15.897 13.365 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.880 16.440 10.590 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.357 14.945 11.369 1.00 0.00 H new ATOM 1262 N GLU A 75 81.705 16.962 10.037 1.00 0.00 N ATOM 1263 CA GLU A 75 80.836 17.964 9.373 1.00 0.00 C ATOM 1264 C GLU A 75 80.265 17.333 8.108 1.00 0.00 C ATOM 1265 O GLU A 75 79.082 17.401 7.843 1.00 0.00 O ATOM 1266 CB GLU A 75 81.655 19.203 9.006 1.00 0.00 C ATOM 1267 CG GLU A 75 80.734 20.424 8.944 1.00 0.00 C ATOM 1268 CD GLU A 75 81.113 21.408 10.052 1.00 0.00 C ATOM 1269 OE1 GLU A 75 82.238 21.881 10.037 1.00 0.00 O ATOM 1270 OE2 GLU A 75 80.273 21.672 10.896 1.00 0.00 O ATOM 0 H GLU A 75 82.707 17.121 9.936 1.00 0.00 H new ATOM 0 HA GLU A 75 80.031 18.265 10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 75 82.441 19.364 9.744 1.00 0.00 H new ATOM 0 HB3 GLU A 75 82.146 19.056 8.044 1.00 0.00 H new ATOM 0 HG2 GLU A 75 80.818 20.907 7.970 1.00 0.00 H new ATOM 0 HG3 GLU A 75 79.695 20.115 9.058 1.00 0.00 H new ATOM 1277 N ARG A 76 81.097 16.698 7.331 1.00 0.00 N ATOM 1278 CA ARG A 76 80.601 16.043 6.096 1.00 0.00 C ATOM 1279 C ARG A 76 79.543 15.011 6.484 1.00 0.00 C ATOM 1280 O ARG A 76 78.772 14.555 5.664 1.00 0.00 O ATOM 1281 CB ARG A 76 81.764 15.353 5.380 1.00 0.00 C ATOM 1282 CG ARG A 76 82.834 16.391 5.033 1.00 0.00 C ATOM 1283 CD ARG A 76 83.543 15.983 3.741 1.00 0.00 C ATOM 1284 NE ARG A 76 82.872 16.633 2.581 1.00 0.00 N ATOM 1285 CZ ARG A 76 81.892 16.025 1.969 1.00 0.00 C ATOM 1286 NH1 ARG A 76 82.149 15.154 1.032 1.00 0.00 N ATOM 1287 NH2 ARG A 76 80.656 16.286 2.296 1.00 0.00 N ATOM 0 H ARG A 76 82.099 16.606 7.500 1.00 0.00 H new ATOM 0 HA ARG A 76 80.166 16.785 5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 76 82.188 14.576 6.016 1.00 0.00 H new ATOM 0 HB3 ARG A 76 81.409 14.864 4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 76 82.377 17.374 4.915 1.00 0.00 H new ATOM 0 HG3 ARG A 76 83.555 16.471 5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 76 84.592 16.278 3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 76 83.520 14.899 3.628 1.00 0.00 H new ATOM 0 HE ARG A 76 83.178 17.553 2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 76 83.115 14.948 0.778 1.00 0.00 H new ATOM 0 HH12 ARG A 76 81.384 14.679 0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 76 80.455 16.965 3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 76 79.891 15.811 1.818 1.00 0.00 H new ATOM 1301 N TYR A 77 79.500 14.642 7.741 1.00 0.00 N ATOM 1302 CA TYR A 77 78.496 13.649 8.200 1.00 0.00 C ATOM 1303 C TYR A 77 77.161 14.349 8.468 1.00 0.00 C ATOM 1304 O TYR A 77 76.505 14.088 9.457 1.00 0.00 O ATOM 1305 CB TYR A 77 78.977 13.007 9.500 1.00 0.00 C ATOM 1306 CG TYR A 77 78.016 11.917 9.916 1.00 0.00 C ATOM 1307 CD1 TYR A 77 77.380 11.128 8.948 1.00 0.00 C ATOM 1308 CD2 TYR A 77 77.768 11.693 11.275 1.00 0.00 C ATOM 1309 CE1 TYR A 77 76.494 10.117 9.343 1.00 0.00 C ATOM 1310 CE2 TYR A 77 76.884 10.683 11.668 1.00 0.00 C ATOM 1311 CZ TYR A 77 76.247 9.894 10.702 1.00 0.00 C ATOM 1312 OH TYR A 77 75.376 8.897 11.092 1.00 0.00 O ATOM 0 H TYR A 77 80.124 14.992 8.468 1.00 0.00 H new ATOM 0 HA TYR A 77 78.368 12.890 7.429 1.00 0.00 H new ATOM 0 HB2 TYR A 77 79.976 12.592 9.364 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.049 13.761 10.284 1.00 0.00 H new ATOM 0 HD1 TYR A 77 77.573 11.299 7.899 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.259 12.300 12.021 1.00 0.00 H new ATOM 0 HE1 TYR A 77 76.001 9.510 8.598 1.00 0.00 H new ATOM 0 HE2 TYR A 77 76.692 10.511 12.717 1.00 0.00 H new ATOM 0 HH TYR A 77 74.638 9.289 11.603 1.00 0.00 H new ATOM 1322 N ARG A 78 76.756 15.241 7.610 1.00 0.00 N ATOM 1323 CA ARG A 78 75.474 15.953 7.837 1.00 0.00 C ATOM 1324 C ARG A 78 74.759 16.184 6.502 1.00 0.00 C ATOM 1325 O ARG A 78 73.940 17.073 6.375 1.00 0.00 O ATOM 1326 CB ARG A 78 75.760 17.294 8.531 1.00 0.00 C ATOM 1327 CG ARG A 78 76.124 18.362 7.494 1.00 0.00 C ATOM 1328 CD ARG A 78 77.283 19.210 8.020 1.00 0.00 C ATOM 1329 NE ARG A 78 76.787 20.570 8.372 1.00 0.00 N ATOM 1330 CZ ARG A 78 76.536 20.870 9.616 1.00 0.00 C ATOM 1331 NH1 ARG A 78 76.149 19.941 10.447 1.00 0.00 N ATOM 1332 NH2 ARG A 78 76.671 22.100 10.031 1.00 0.00 N ATOM 0 H ARG A 78 77.258 15.506 6.763 1.00 0.00 H new ATOM 0 HA ARG A 78 74.826 15.349 8.473 1.00 0.00 H new ATOM 0 HB2 ARG A 78 74.885 17.611 9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 78 76.576 17.176 9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 78 76.403 17.889 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 78 75.260 18.995 7.289 1.00 0.00 H new ATOM 0 HD2 ARG A 78 77.726 18.735 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 78 78.066 19.281 7.266 1.00 0.00 H new ATOM 0 HE ARG A 78 76.644 21.266 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 78 76.043 18.979 10.124 1.00 0.00 H new ATOM 0 HH12 ARG A 78 75.953 20.176 11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 78 76.973 22.827 9.382 1.00 0.00 H new ATOM 0 HH22 ARG A 78 76.475 22.334 11.004 1.00 0.00 H new ATOM 1346 N ALA A 79 75.056 15.396 5.507 1.00 0.00 N ATOM 1347 CA ALA A 79 74.388 15.580 4.197 1.00 0.00 C ATOM 1348 C ALA A 79 73.941 14.231 3.652 1.00 0.00 C ATOM 1349 O ALA A 79 72.778 14.014 3.374 1.00 0.00 O ATOM 1350 CB ALA A 79 75.355 16.241 3.218 1.00 0.00 C ATOM 0 H ALA A 79 75.733 14.634 5.548 1.00 0.00 H new ATOM 0 HA ALA A 79 73.514 16.219 4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.862 16.376 2.255 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.661 17.212 3.608 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.233 15.608 3.091 1.00 0.00 H new ATOM 1356 N LEU A 80 74.851 13.322 3.510 1.00 0.00 N ATOM 1357 CA LEU A 80 74.478 11.977 3.000 1.00 0.00 C ATOM 1358 C LEU A 80 73.693 11.239 4.083 1.00 0.00 C ATOM 1359 O LEU A 80 73.203 10.149 3.875 1.00 0.00 O ATOM 1360 CB LEU A 80 75.742 11.193 2.644 1.00 0.00 C ATOM 1361 CG LEU A 80 75.813 11.001 1.128 1.00 0.00 C ATOM 1362 CD1 LEU A 80 75.792 12.366 0.437 1.00 0.00 C ATOM 1363 CD2 LEU A 80 77.109 10.269 0.770 1.00 0.00 C ATOM 0 H LEU A 80 75.840 13.448 3.724 1.00 0.00 H new ATOM 0 HA LEU A 80 73.863 12.076 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.625 11.727 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.735 10.224 3.144 1.00 0.00 H new ATOM 0 HG LEU A 80 74.957 10.414 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 80 75.843 12.228 -0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 80 74.871 12.889 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.648 12.955 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 80 77.162 10.131 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 80 77.964 10.858 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 80 77.125 9.296 1.262 1.00 0.00 H new ATOM 1375 N ILE A 81 73.543 11.837 5.232 1.00 0.00 N ATOM 1376 CA ILE A 81 72.764 11.177 6.302 1.00 0.00 C ATOM 1377 C ILE A 81 71.285 11.331 5.937 1.00 0.00 C ATOM 1378 O ILE A 81 70.460 10.478 6.193 1.00 0.00 O ATOM 1379 CB ILE A 81 73.095 11.817 7.675 1.00 0.00 C ATOM 1380 CG1 ILE A 81 71.958 12.726 8.151 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.380 12.624 7.592 1.00 0.00 C ATOM 1382 CD1 ILE A 81 70.904 11.871 8.847 1.00 0.00 C ATOM 0 H ILE A 81 73.927 12.751 5.471 1.00 0.00 H new ATOM 0 HA ILE A 81 73.013 10.119 6.386 1.00 0.00 H new ATOM 0 HB ILE A 81 73.221 11.006 8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.341 13.483 8.835 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.517 13.254 7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.596 13.065 8.565 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.202 11.970 7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.265 13.416 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.088 12.507 9.191 1.00 0.00 H new ATOM 0 HD12 ILE A 81 70.516 11.130 8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 81 71.353 11.364 9.701 1.00 0.00 H new ATOM 1394 N GLU A 82 70.950 12.419 5.318 1.00 0.00 N ATOM 1395 CA GLU A 82 69.538 12.632 4.923 1.00 0.00 C ATOM 1396 C GLU A 82 69.294 12.079 3.512 1.00 0.00 C ATOM 1397 O GLU A 82 68.185 12.108 3.018 1.00 0.00 O ATOM 1398 CB GLU A 82 69.219 14.127 4.949 1.00 0.00 C ATOM 1399 CG GLU A 82 68.490 14.472 6.249 1.00 0.00 C ATOM 1400 CD GLU A 82 66.993 14.623 5.970 1.00 0.00 C ATOM 1401 OE1 GLU A 82 66.394 13.661 5.518 1.00 0.00 O ATOM 1402 OE2 GLU A 82 66.472 15.699 6.215 1.00 0.00 O ATOM 0 H GLU A 82 71.592 13.171 5.068 1.00 0.00 H new ATOM 0 HA GLU A 82 68.891 12.108 5.626 1.00 0.00 H new ATOM 0 HB2 GLU A 82 70.139 14.707 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.601 14.392 4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 82 68.656 13.690 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 82 68.888 15.397 6.667 1.00 0.00 H new ATOM 1409 N LYS A 83 70.310 11.584 2.848 1.00 0.00 N ATOM 1410 CA LYS A 83 70.094 11.055 1.475 1.00 0.00 C ATOM 1411 C LYS A 83 70.540 9.590 1.377 1.00 0.00 C ATOM 1412 O LYS A 83 70.970 9.141 0.332 1.00 0.00 O ATOM 1413 CB LYS A 83 70.890 11.897 0.476 1.00 0.00 C ATOM 1414 CG LYS A 83 70.053 13.102 0.041 1.00 0.00 C ATOM 1415 CD LYS A 83 70.153 13.273 -1.477 1.00 0.00 C ATOM 1416 CE LYS A 83 69.818 14.719 -1.850 1.00 0.00 C ATOM 1417 NZ LYS A 83 70.809 15.636 -1.221 1.00 0.00 N ATOM 0 H LYS A 83 71.267 11.526 3.196 1.00 0.00 H new ATOM 0 HA LYS A 83 69.030 11.109 1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 83 71.822 12.233 0.930 1.00 0.00 H new ATOM 0 HB3 LYS A 83 71.157 11.294 -0.392 1.00 0.00 H new ATOM 0 HG2 LYS A 83 69.013 12.960 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 83 70.405 14.003 0.543 1.00 0.00 H new ATOM 0 HD2 LYS A 83 71.158 13.022 -1.817 1.00 0.00 H new ATOM 0 HD3 LYS A 83 69.467 12.589 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 83 69.832 14.839 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 83 68.811 14.969 -1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 70.979 16.447 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 70.439 15.976 -0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 71.702 15.127 -1.063 1.00 0.00 H new ATOM 1431 N LEU A 84 70.450 8.835 2.441 1.00 0.00 N ATOM 1432 CA LEU A 84 70.879 7.412 2.369 1.00 0.00 C ATOM 1433 C LEU A 84 70.015 6.524 3.269 1.00 0.00 C ATOM 1434 O LEU A 84 69.311 5.649 2.805 1.00 0.00 O ATOM 1435 CB LEU A 84 72.336 7.308 2.811 1.00 0.00 C ATOM 1436 CG LEU A 84 73.179 8.262 1.973 1.00 0.00 C ATOM 1437 CD1 LEU A 84 74.618 8.265 2.492 1.00 0.00 C ATOM 1438 CD2 LEU A 84 73.167 7.802 0.514 1.00 0.00 C ATOM 0 H LEU A 84 70.100 9.142 3.349 1.00 0.00 H new ATOM 0 HA LEU A 84 70.765 7.069 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 84 72.427 7.555 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 84 72.694 6.285 2.691 1.00 0.00 H new ATOM 0 HG LEU A 84 72.766 9.268 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 84 75.220 8.948 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 84 74.629 8.590 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 84 75.032 7.259 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 84 73.769 8.483 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 84 73.580 6.796 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 84 72.143 7.799 0.142 1.00 0.00 H new ATOM 1450 N GLY A 85 70.085 6.725 4.553 1.00 0.00 N ATOM 1451 CA GLY A 85 69.294 5.877 5.495 1.00 0.00 C ATOM 1452 C GLY A 85 70.135 5.642 6.750 1.00 0.00 C ATOM 1453 O GLY A 85 70.343 4.528 7.186 1.00 0.00 O ATOM 0 H GLY A 85 70.658 7.443 4.996 1.00 0.00 H new ATOM 0 HA2 GLY A 85 68.356 6.369 5.753 1.00 0.00 H new ATOM 0 HA3 GLY A 85 69.037 4.927 5.026 1.00 0.00 H new ATOM 1457 N ILE A 86 70.644 6.703 7.301 1.00 0.00 N ATOM 1458 CA ILE A 86 71.509 6.628 8.496 1.00 0.00 C ATOM 1459 C ILE A 86 70.660 6.655 9.776 1.00 0.00 C ATOM 1460 O ILE A 86 70.329 5.624 10.327 1.00 0.00 O ATOM 1461 CB ILE A 86 72.435 7.845 8.422 1.00 0.00 C ATOM 1462 CG1 ILE A 86 72.996 8.220 9.779 1.00 0.00 C ATOM 1463 CG2 ILE A 86 71.663 9.038 7.886 1.00 0.00 C ATOM 1464 CD1 ILE A 86 73.354 6.962 10.570 1.00 0.00 C ATOM 0 H ILE A 86 70.488 7.650 6.957 1.00 0.00 H new ATOM 0 HA ILE A 86 72.082 5.701 8.522 1.00 0.00 H new ATOM 0 HB ILE A 86 73.263 7.580 7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 86 73.881 8.844 9.655 1.00 0.00 H new ATOM 0 HG13 ILE A 86 72.265 8.810 10.332 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.322 9.904 7.833 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.285 8.809 6.890 1.00 0.00 H new ATOM 0 HG23 ILE A 86 70.827 9.258 8.550 1.00 0.00 H new ATOM 0 HD11 ILE A 86 73.756 7.246 11.543 1.00 0.00 H new ATOM 0 HD12 ILE A 86 72.460 6.354 10.710 1.00 0.00 H new ATOM 0 HD13 ILE A 86 74.101 6.388 10.022 1.00 0.00 H new ATOM 1476 N ARG A 87 70.302 7.813 10.255 1.00 0.00 N ATOM 1477 CA ARG A 87 69.488 7.902 11.473 1.00 0.00 C ATOM 1478 C ARG A 87 68.018 7.999 11.079 1.00 0.00 C ATOM 1479 O ARG A 87 67.496 7.169 10.363 1.00 0.00 O ATOM 1480 CB ARG A 87 69.931 9.140 12.255 1.00 0.00 C ATOM 1481 CG ARG A 87 71.389 8.976 12.688 1.00 0.00 C ATOM 1482 CD ARG A 87 71.543 9.430 14.140 1.00 0.00 C ATOM 1483 NE ARG A 87 72.084 10.817 14.175 1.00 0.00 N ATOM 1484 CZ ARG A 87 72.374 11.377 15.317 1.00 0.00 C ATOM 1485 NH1 ARG A 87 71.875 10.898 16.424 1.00 0.00 N ATOM 1486 NH2 ARG A 87 73.163 12.416 15.353 1.00 0.00 N ATOM 0 H ARG A 87 70.549 8.711 9.838 1.00 0.00 H new ATOM 0 HA ARG A 87 69.618 7.020 12.100 1.00 0.00 H new ATOM 0 HB2 ARG A 87 69.822 10.031 11.637 1.00 0.00 H new ATOM 0 HB3 ARG A 87 69.294 9.278 13.129 1.00 0.00 H new ATOM 0 HG2 ARG A 87 71.695 7.935 12.587 1.00 0.00 H new ATOM 0 HG3 ARG A 87 72.040 9.564 12.041 1.00 0.00 H new ATOM 0 HD2 ARG A 87 70.579 9.392 14.648 1.00 0.00 H new ATOM 0 HD3 ARG A 87 72.211 8.755 14.674 1.00 0.00 H new ATOM 0 HE ARG A 87 72.228 11.330 13.305 1.00 0.00 H new ATOM 0 HH11 ARG A 87 71.258 10.086 16.396 1.00 0.00 H new ATOM 0 HH12 ARG A 87 72.102 11.336 17.317 1.00 0.00 H new ATOM 0 HH21 ARG A 87 73.553 12.790 14.488 1.00 0.00 H new ATOM 0 HH22 ARG A 87 73.390 12.854 16.246 1.00 0.00 H new ATOM 1500 N GLY A 88 67.357 9.003 11.540 1.00 0.00 N ATOM 1501 CA GLY A 88 65.915 9.177 11.203 1.00 0.00 C ATOM 1502 C GLY A 88 65.073 9.042 12.473 1.00 0.00 C ATOM 1503 O GLY A 88 64.112 8.293 12.446 1.00 0.00 O ATOM 1504 OXT GLY A 88 65.404 9.692 13.451 1.00 0.00 O ATOM 0 H GLY A 88 67.749 9.726 12.144 1.00 0.00 H new ATOM 0 HA2 GLY A 88 65.752 10.154 10.749 1.00 0.00 H new ATOM 0 HA3 GLY A 88 65.609 8.430 10.470 1.00 0.00 H new TER 1508 GLY A 88