USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 738 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 82 LYS NZ :NH3+ -165:sc= 0.00351 (180deg=0) USER MOD Set 1.2: B 96 SER OG : rot 180:sc= -1.67 USER MOD Set 2.1: A 7 HIS : no HD1:sc= -0.181 X(o=-0.27,f=-0.028) USER MOD Set 2.2: A 55 TYR OH : rot 102:sc= -0.0854 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.902 X(o=-0.9,f=-0.74) USER MOD Single : A 11 THR OG1 : rot -28:sc= 1.02 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 89:sc= 0.00383 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 21 LYS NZ :NH3+ -104:sc=-0.00639 (180deg=-0.291) USER MOD Single : A 24 GLN : amide:sc= -2.54 K(o=-2.5,f=-5.9!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -171:sc= 0 (180deg=-0.0815) USER MOD Single : A 42 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.31) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.514 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 139:sc= -1.56 (180deg=-4.66!) USER MOD Single : A 57 SER OG : rot 170:sc= -1.57! USER MOD Single : A 59 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.1) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 165:sc= 0 USER MOD Single : A 65 TYR OH : rot -165:sc= -0.412 USER MOD Single : A 66 HIS : no HD1:sc=-0.00957 X(o=-0.0096,f=-0.28) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 SER OG : rot 147:sc= 1.19 USER MOD Single : B 104 MET CE :methyl 177:sc= -1.05 (180deg=-1.27) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -19.722 -22.460 -8.013 1.00 0.00 N ATOM 51 CA LYS A 4 -18.801 -22.385 -9.140 1.00 0.00 C ATOM 52 C LYS A 4 -17.663 -23.386 -8.991 1.00 0.00 C ATOM 53 O LYS A 4 -17.351 -23.810 -7.879 1.00 0.00 O ATOM 54 CB LYS A 4 -18.179 -20.988 -9.202 1.00 0.00 C ATOM 55 CG LYS A 4 -19.170 -19.847 -8.986 1.00 0.00 C ATOM 56 CD LYS A 4 -18.580 -18.751 -8.108 1.00 0.00 C ATOM 57 CE LYS A 4 -18.905 -18.951 -6.636 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.285 -18.502 -6.303 1.00 0.00 N ATOM 0 HA LYS A 4 -19.369 -22.607 -10.044 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.394 -20.919 -8.449 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.701 -20.859 -10.173 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.458 -19.427 -9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.078 -20.235 -8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.498 -18.727 -8.239 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.962 -17.783 -8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.795 -20.005 -6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.188 -18.399 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.465 -18.656 -5.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.383 -17.490 -6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.972 -19.046 -6.863 1.00 0.00 H new ATOM 72 N GLY A 5 -16.994 -23.698 -10.100 1.00 0.00 N ATOM 73 CA GLY A 5 -15.837 -24.572 -10.028 1.00 0.00 C ATOM 74 C GLY A 5 -14.709 -23.769 -9.424 1.00 0.00 C ATOM 75 O GLY A 5 -13.737 -23.417 -10.092 1.00 0.00 O ATOM 0 H GLY A 5 -17.230 -23.365 -11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -16.054 -25.449 -9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.565 -24.933 -11.020 1.00 0.00 H new ATOM 79 N TRP A 6 -14.919 -23.397 -8.171 1.00 0.00 N ATOM 80 CA TRP A 6 -14.015 -22.530 -7.439 1.00 0.00 C ATOM 81 C TRP A 6 -12.865 -23.253 -6.763 1.00 0.00 C ATOM 82 O TRP A 6 -11.700 -23.028 -7.077 1.00 0.00 O ATOM 83 CB TRP A 6 -14.846 -21.856 -6.353 1.00 0.00 C ATOM 84 CG TRP A 6 -14.770 -20.383 -6.364 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.785 -19.518 -6.601 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.616 -19.604 -6.115 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.329 -18.232 -6.512 1.00 0.00 N ATOM 88 CE2 TRP A 6 -13.993 -18.261 -6.214 1.00 0.00 C ATOM 89 CE3 TRP A 6 -12.300 -19.920 -5.816 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.092 -17.230 -6.022 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.400 -18.906 -5.624 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.794 -17.565 -5.725 1.00 0.00 C ATOM 0 H TRP A 6 -15.731 -23.693 -7.630 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.567 -21.839 -8.153 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.887 -22.156 -6.468 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -14.516 -22.219 -5.380 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.802 -19.802 -6.827 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.891 -17.391 -6.645 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.989 -20.951 -5.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.398 -16.198 -6.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.372 -19.143 -5.392 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.066 -16.783 -5.567 1.00 0.00 H new ATOM 103 N HIS A 7 -13.217 -24.082 -5.803 1.00 0.00 N ATOM 104 CA HIS A 7 -12.233 -24.816 -5.008 1.00 0.00 C ATOM 105 C HIS A 7 -11.415 -25.804 -5.836 1.00 0.00 C ATOM 106 O HIS A 7 -10.419 -26.349 -5.361 1.00 0.00 O ATOM 107 CB HIS A 7 -12.943 -25.574 -3.895 1.00 0.00 C ATOM 108 CG HIS A 7 -13.708 -24.690 -2.959 1.00 0.00 C ATOM 109 ND1 HIS A 7 -13.106 -23.758 -2.140 1.00 0.00 N ATOM 110 CD2 HIS A 7 -15.037 -24.599 -2.714 1.00 0.00 C ATOM 111 CE1 HIS A 7 -14.031 -23.133 -1.432 1.00 0.00 C ATOM 112 NE2 HIS A 7 -15.210 -23.625 -1.762 1.00 0.00 N ATOM 0 H HIS A 7 -14.186 -24.271 -5.546 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.541 -24.078 -4.601 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -13.627 -26.297 -4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.206 -26.140 -3.325 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.816 -25.184 -3.181 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.852 -22.353 -0.707 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -16.105 -23.329 -1.373 1.00 0.00 H new ATOM 121 N GLU A 8 -11.865 -26.064 -7.049 1.00 0.00 N ATOM 122 CA GLU A 8 -11.208 -27.029 -7.928 1.00 0.00 C ATOM 123 C GLU A 8 -9.684 -26.902 -7.956 1.00 0.00 C ATOM 124 O GLU A 8 -8.982 -27.895 -7.761 1.00 0.00 O ATOM 125 CB GLU A 8 -11.731 -26.888 -9.354 1.00 0.00 C ATOM 126 CG GLU A 8 -11.938 -25.450 -9.806 1.00 0.00 C ATOM 127 CD GLU A 8 -10.811 -24.949 -10.688 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.636 -25.500 -11.796 1.00 0.00 O ATOM 129 OE2 GLU A 8 -10.105 -24.007 -10.273 1.00 0.00 O ATOM 0 H GLU A 8 -12.688 -25.620 -7.456 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.447 -28.009 -7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.031 -27.373 -10.035 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -12.678 -27.422 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.880 -25.376 -10.349 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.023 -24.806 -8.930 1.00 0.00 H new ATOM 136 N HIS A 9 -9.161 -25.711 -8.235 1.00 0.00 N ATOM 137 CA HIS A 9 -7.708 -25.548 -8.319 1.00 0.00 C ATOM 138 C HIS A 9 -7.183 -24.330 -7.562 1.00 0.00 C ATOM 139 O HIS A 9 -6.266 -23.654 -8.030 1.00 0.00 O ATOM 140 CB HIS A 9 -7.279 -25.473 -9.786 1.00 0.00 C ATOM 141 CG HIS A 9 -5.795 -25.499 -9.979 1.00 0.00 C ATOM 142 ND1 HIS A 9 -5.175 -25.037 -11.121 1.00 0.00 N ATOM 143 CD2 HIS A 9 -4.803 -25.936 -9.166 1.00 0.00 C ATOM 144 CE1 HIS A 9 -3.868 -25.189 -11.003 1.00 0.00 C ATOM 145 NE2 HIS A 9 -3.617 -25.732 -9.826 1.00 0.00 N ATOM 0 H HIS A 9 -9.703 -24.863 -8.403 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.270 -26.422 -7.837 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.722 -26.308 -10.328 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.678 -24.559 -10.226 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.923 -26.365 -8.182 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.131 -24.916 -11.743 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.691 -25.963 -9.465 1.00 0.00 H new ATOM 154 N VAL A 10 -7.724 -24.071 -6.378 1.00 0.00 N ATOM 155 CA VAL A 10 -7.242 -22.948 -5.568 1.00 0.00 C ATOM 156 C VAL A 10 -6.368 -23.465 -4.434 1.00 0.00 C ATOM 157 O VAL A 10 -5.218 -23.052 -4.282 1.00 0.00 O ATOM 158 CB VAL A 10 -8.377 -22.087 -4.972 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.942 -20.630 -4.880 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.644 -22.215 -5.795 1.00 0.00 C ATOM 0 H VAL A 10 -8.483 -24.609 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.671 -22.309 -6.242 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.591 -22.451 -3.967 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.752 -20.034 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.063 -20.552 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.700 -20.259 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.428 -21.599 -5.354 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.451 -21.882 -6.815 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.965 -23.256 -5.809 1.00 0.00 H new ATOM 170 N THR A 11 -6.920 -24.384 -3.649 1.00 0.00 N ATOM 171 CA THR A 11 -6.193 -24.980 -2.533 1.00 0.00 C ATOM 172 C THR A 11 -5.673 -23.911 -1.576 1.00 0.00 C ATOM 173 O THR A 11 -5.682 -22.721 -1.892 1.00 0.00 O ATOM 174 CB THR A 11 -5.030 -25.827 -3.056 1.00 0.00 C ATOM 175 OG1 THR A 11 -3.923 -25.007 -3.387 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.383 -26.641 -4.286 1.00 0.00 C ATOM 0 H THR A 11 -7.871 -24.733 -3.765 1.00 0.00 H new ATOM 0 HA THR A 11 -6.884 -25.618 -1.983 1.00 0.00 H new ATOM 0 HB THR A 11 -4.786 -26.514 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.241 -24.118 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.514 -27.217 -4.603 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.202 -27.320 -4.050 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.687 -25.971 -5.090 1.00 0.00 H new ATOM 184 N GLN A 12 -5.220 -24.344 -0.404 1.00 0.00 N ATOM 185 CA GLN A 12 -4.695 -23.427 0.600 1.00 0.00 C ATOM 186 C GLN A 12 -3.311 -22.921 0.204 1.00 0.00 C ATOM 187 O GLN A 12 -2.945 -21.784 0.502 1.00 0.00 O ATOM 188 CB GLN A 12 -4.629 -24.114 1.964 1.00 0.00 C ATOM 189 CG GLN A 12 -3.747 -25.352 1.980 1.00 0.00 C ATOM 190 CD GLN A 12 -4.270 -26.429 2.911 1.00 0.00 C ATOM 191 OE1 GLN A 12 -3.848 -26.528 4.062 1.00 0.00 O ATOM 192 NE2 GLN A 12 -5.195 -27.242 2.414 1.00 0.00 N ATOM 0 H GLN A 12 -5.206 -25.325 -0.126 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.369 -22.573 0.664 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.257 -23.403 2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -5.637 -24.393 2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.674 -25.754 0.970 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.739 -25.071 2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.516 -27.123 1.453 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.585 -27.986 2.993 1.00 0.00 H new ATOM 201 N ASP A 13 -2.545 -23.775 -0.467 1.00 0.00 N ATOM 202 CA ASP A 13 -1.200 -23.418 -0.902 1.00 0.00 C ATOM 203 C ASP A 13 -1.234 -22.230 -1.858 1.00 0.00 C ATOM 204 O ASP A 13 -0.586 -21.210 -1.621 1.00 0.00 O ATOM 205 CB ASP A 13 -0.525 -24.611 -1.577 1.00 0.00 C ATOM 206 CG ASP A 13 0.966 -24.664 -1.306 1.00 0.00 C ATOM 207 OD1 ASP A 13 1.708 -23.868 -1.919 1.00 0.00 O ATOM 208 OD2 ASP A 13 1.391 -25.499 -0.480 1.00 0.00 O ATOM 0 H ASP A 13 -2.833 -24.720 -0.721 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.624 -23.136 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.988 -25.533 -1.226 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.694 -24.559 -2.653 1.00 0.00 H new ATOM 213 N LEU A 14 -1.994 -22.369 -2.940 1.00 0.00 N ATOM 214 CA LEU A 14 -2.111 -21.307 -3.932 1.00 0.00 C ATOM 215 C LEU A 14 -2.756 -20.065 -3.324 1.00 0.00 C ATOM 216 O LEU A 14 -2.343 -18.940 -3.602 1.00 0.00 O ATOM 217 CB LEU A 14 -2.928 -21.789 -5.133 1.00 0.00 C ATOM 218 CG LEU A 14 -2.368 -21.389 -6.499 1.00 0.00 C ATOM 219 CD1 LEU A 14 -1.311 -22.383 -6.953 1.00 0.00 C ATOM 220 CD2 LEU A 14 -3.488 -21.292 -7.525 1.00 0.00 C ATOM 0 H LEU A 14 -2.537 -23.206 -3.152 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.108 -21.044 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.001 -22.876 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.942 -21.398 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.900 -20.409 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.924 -22.083 -7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.496 -22.404 -6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.754 -23.376 -7.029 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.072 -21.006 -8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.984 -22.258 -7.615 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.211 -20.542 -7.205 1.00 0.00 H new ATOM 232 N ARG A 15 -3.771 -20.280 -2.492 1.00 0.00 N ATOM 233 CA ARG A 15 -4.472 -19.178 -1.844 1.00 0.00 C ATOM 234 C ARG A 15 -3.529 -18.390 -0.940 1.00 0.00 C ATOM 235 O ARG A 15 -3.419 -17.170 -1.055 1.00 0.00 O ATOM 236 CB ARG A 15 -5.654 -19.706 -1.029 1.00 0.00 C ATOM 237 CG ARG A 15 -6.723 -18.659 -0.758 1.00 0.00 C ATOM 238 CD ARG A 15 -7.962 -19.278 -0.132 1.00 0.00 C ATOM 239 NE ARG A 15 -7.798 -19.501 1.303 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.823 -18.529 2.212 1.00 0.00 C ATOM 241 NH1 ARG A 15 -8.004 -17.268 1.840 1.00 0.00 N ATOM 242 NH2 ARG A 15 -7.667 -18.819 3.496 1.00 0.00 N ATOM 0 H ARG A 15 -4.125 -21.206 -2.251 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.844 -18.511 -2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.105 -20.544 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.286 -20.092 -0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.323 -17.892 -0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.994 -18.164 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.818 -18.625 -0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.181 -20.226 -0.623 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.656 -20.458 1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.125 -17.040 0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -8.022 -16.527 2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.528 -19.787 3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.686 -18.075 4.193 1.00 0.00 H new ATOM 256 N SER A 16 -2.849 -19.097 -0.043 1.00 0.00 N ATOM 257 CA SER A 16 -1.914 -18.464 0.880 1.00 0.00 C ATOM 258 C SER A 16 -0.830 -17.702 0.123 1.00 0.00 C ATOM 259 O SER A 16 -0.300 -16.706 0.613 1.00 0.00 O ATOM 260 CB SER A 16 -1.274 -19.514 1.790 1.00 0.00 C ATOM 261 OG SER A 16 -2.150 -19.879 2.842 1.00 0.00 O ATOM 0 H SER A 16 -2.928 -20.108 0.064 1.00 0.00 H new ATOM 0 HA SER A 16 -2.472 -17.754 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.015 -20.397 1.206 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.345 -19.123 2.205 1.00 0.00 H new ATOM 0 HG SER A 16 -2.717 -20.624 2.552 1.00 0.00 H new ATOM 267 N HIS A 17 -0.505 -18.179 -1.075 1.00 0.00 N ATOM 268 CA HIS A 17 0.514 -17.542 -1.899 1.00 0.00 C ATOM 269 C HIS A 17 0.010 -16.216 -2.462 1.00 0.00 C ATOM 270 O HIS A 17 0.789 -15.292 -2.690 1.00 0.00 O ATOM 271 CB HIS A 17 0.929 -18.469 -3.043 1.00 0.00 C ATOM 272 CG HIS A 17 2.363 -18.320 -3.444 1.00 0.00 C ATOM 273 ND1 HIS A 17 3.327 -19.264 -3.157 1.00 0.00 N ATOM 274 CD2 HIS A 17 2.997 -17.330 -4.113 1.00 0.00 C ATOM 275 CE1 HIS A 17 4.492 -18.859 -3.632 1.00 0.00 C ATOM 276 NE2 HIS A 17 4.319 -17.689 -4.218 1.00 0.00 N ATOM 0 H HIS A 17 -0.933 -19.004 -1.495 1.00 0.00 H new ATOM 0 HA HIS A 17 1.381 -17.343 -1.269 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.749 -19.502 -2.746 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.296 -18.271 -3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.547 -16.425 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.427 -19.394 -3.554 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.048 -17.141 -4.674 1.00 0.00 H new ATOM 285 N LEU A 18 -1.298 -16.133 -2.685 1.00 0.00 N ATOM 286 CA LEU A 18 -1.906 -14.921 -3.220 1.00 0.00 C ATOM 287 C LEU A 18 -2.133 -13.890 -2.119 1.00 0.00 C ATOM 288 O LEU A 18 -2.098 -12.684 -2.367 1.00 0.00 O ATOM 289 CB LEU A 18 -3.232 -15.251 -3.909 1.00 0.00 C ATOM 290 CG LEU A 18 -3.115 -15.645 -5.383 1.00 0.00 C ATOM 291 CD1 LEU A 18 -3.136 -17.158 -5.535 1.00 0.00 C ATOM 292 CD2 LEU A 18 -4.233 -15.010 -6.197 1.00 0.00 C ATOM 0 H LEU A 18 -1.956 -16.891 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.220 -14.495 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.712 -16.066 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.890 -14.385 -3.831 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.162 -15.275 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.052 -17.419 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.299 -17.590 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.072 -17.551 -5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.133 -15.302 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.197 -15.348 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.171 -13.925 -6.116 1.00 0.00 H new ATOM 304 N VAL A 19 -2.365 -14.371 -0.901 1.00 0.00 N ATOM 305 CA VAL A 19 -2.597 -13.488 0.238 1.00 0.00 C ATOM 306 C VAL A 19 -1.423 -12.535 0.440 1.00 0.00 C ATOM 307 O VAL A 19 -1.613 -11.353 0.727 1.00 0.00 O ATOM 308 CB VAL A 19 -2.826 -14.292 1.534 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.146 -13.362 2.694 1.00 0.00 C ATOM 310 CG2 VAL A 19 -3.939 -15.311 1.338 1.00 0.00 C ATOM 0 H VAL A 19 -2.397 -15.366 -0.677 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.495 -12.911 0.016 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.908 -14.828 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.304 -13.949 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.315 -12.674 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.049 -12.795 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.088 -15.870 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.862 -14.795 1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.666 -15.999 0.538 1.00 0.00 H new ATOM 320 N HIS A 20 -0.210 -13.056 0.285 1.00 0.00 N ATOM 321 CA HIS A 20 0.993 -12.248 0.447 1.00 0.00 C ATOM 322 C HIS A 20 1.018 -11.102 -0.559 1.00 0.00 C ATOM 323 O HIS A 20 1.613 -10.054 -0.307 1.00 0.00 O ATOM 324 CB HIS A 20 2.242 -13.116 0.278 1.00 0.00 C ATOM 325 CG HIS A 20 2.509 -14.014 1.446 1.00 0.00 C ATOM 326 ND1 HIS A 20 2.786 -13.540 2.712 1.00 0.00 N ATOM 327 CD2 HIS A 20 2.539 -15.364 1.538 1.00 0.00 C ATOM 328 CE1 HIS A 20 2.977 -14.559 3.530 1.00 0.00 C ATOM 329 NE2 HIS A 20 2.832 -15.677 2.843 1.00 0.00 N ATOM 0 H HIS A 20 -0.034 -14.032 0.048 1.00 0.00 H new ATOM 0 HA HIS A 20 0.984 -11.826 1.452 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.133 -13.724 -0.620 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.106 -12.469 0.122 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.365 -16.065 0.735 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.212 -14.490 4.582 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.923 -16.620 3.220 1.00 0.00 H new ATOM 338 N LYS A 21 0.366 -11.306 -1.700 1.00 0.00 N ATOM 339 CA LYS A 21 0.311 -10.289 -2.743 1.00 0.00 C ATOM 340 C LYS A 21 -0.273 -8.987 -2.201 1.00 0.00 C ATOM 341 O LYS A 21 0.237 -7.902 -2.483 1.00 0.00 O ATOM 342 CB LYS A 21 -0.525 -10.784 -3.924 1.00 0.00 C ATOM 343 CG LYS A 21 -0.033 -10.282 -5.271 1.00 0.00 C ATOM 344 CD LYS A 21 1.245 -10.989 -5.696 1.00 0.00 C ATOM 345 CE LYS A 21 0.947 -12.277 -6.446 1.00 0.00 C ATOM 346 NZ LYS A 21 1.081 -13.474 -5.570 1.00 0.00 N ATOM 0 H LYS A 21 -0.132 -12.167 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 21 1.328 -10.097 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.522 -11.874 -3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.559 -10.469 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.805 -10.440 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.145 -9.208 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.835 -10.326 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.849 -11.211 -4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.064 -12.235 -6.851 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.627 -12.369 -7.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.971 -13.966 -5.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.085 -13.176 -4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.281 -14.117 -5.736 1.00 0.00 H new ATOM 360 N LEU A 22 -1.341 -9.103 -1.419 1.00 0.00 N ATOM 361 CA LEU A 22 -1.988 -7.935 -0.834 1.00 0.00 C ATOM 362 C LEU A 22 -1.023 -7.185 0.075 1.00 0.00 C ATOM 363 O LEU A 22 -1.003 -5.954 0.099 1.00 0.00 O ATOM 364 CB LEU A 22 -3.230 -8.354 -0.044 1.00 0.00 C ATOM 365 CG LEU A 22 -4.368 -8.938 -0.882 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.437 -9.540 0.017 1.00 0.00 C ATOM 367 CD2 LEU A 22 -4.966 -7.870 -1.786 1.00 0.00 C ATOM 0 H LEU A 22 -1.776 -9.993 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.291 -7.272 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.935 -9.091 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.607 -7.486 0.497 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.963 -9.731 -1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.239 -9.951 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.999 -10.334 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.840 -8.767 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.774 -8.303 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.357 -7.055 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.195 -7.486 -2.454 1.00 0.00 H new ATOM 379 N VAL A 23 -0.222 -7.937 0.822 1.00 0.00 N ATOM 380 CA VAL A 23 0.751 -7.349 1.734 1.00 0.00 C ATOM 381 C VAL A 23 1.827 -6.585 0.969 1.00 0.00 C ATOM 382 O VAL A 23 2.405 -5.626 1.481 1.00 0.00 O ATOM 383 CB VAL A 23 1.420 -8.427 2.610 1.00 0.00 C ATOM 384 CG1 VAL A 23 2.336 -7.786 3.642 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.369 -9.293 3.285 1.00 0.00 C ATOM 0 H VAL A 23 -0.228 -8.957 0.813 1.00 0.00 H new ATOM 0 HA VAL A 23 0.208 -6.657 2.377 1.00 0.00 H new ATOM 0 HB VAL A 23 2.027 -9.065 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.799 -8.563 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.112 -7.213 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.755 -7.122 4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.860 -10.048 3.899 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.266 -8.670 3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.241 -9.783 2.526 1.00 0.00 H new ATOM 395 N GLN A 24 2.091 -7.016 -0.261 1.00 0.00 N ATOM 396 CA GLN A 24 3.098 -6.373 -1.097 1.00 0.00 C ATOM 397 C GLN A 24 2.589 -5.038 -1.630 1.00 0.00 C ATOM 398 O GLN A 24 3.358 -4.090 -1.796 1.00 0.00 O ATOM 399 CB GLN A 24 3.482 -7.287 -2.263 1.00 0.00 C ATOM 400 CG GLN A 24 4.577 -6.715 -3.148 1.00 0.00 C ATOM 401 CD GLN A 24 5.967 -7.007 -2.617 1.00 0.00 C ATOM 402 OE1 GLN A 24 6.196 -7.002 -1.408 1.00 0.00 O ATOM 403 NE2 GLN A 24 6.904 -7.263 -3.523 1.00 0.00 N ATOM 0 H GLN A 24 1.621 -7.808 -0.700 1.00 0.00 H new ATOM 0 HA GLN A 24 3.980 -6.188 -0.484 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.811 -8.248 -1.868 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.598 -7.478 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.481 -7.129 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 24 4.444 -5.637 -3.234 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.669 -7.256 -4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.858 -7.466 -3.226 1.00 0.00 H new ATOM 412 N ALA A 25 1.288 -4.969 -1.896 1.00 0.00 N ATOM 413 CA ALA A 25 0.677 -3.748 -2.410 1.00 0.00 C ATOM 414 C ALA A 25 0.868 -2.588 -1.438 1.00 0.00 C ATOM 415 O ALA A 25 1.148 -1.462 -1.848 1.00 0.00 O ATOM 416 CB ALA A 25 -0.803 -3.973 -2.681 1.00 0.00 C ATOM 0 H ALA A 25 0.637 -5.743 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 25 1.172 -3.489 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.247 -3.054 -3.064 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.921 -4.768 -3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.303 -4.259 -1.756 1.00 0.00 H new ATOM 422 N ILE A 26 0.715 -2.873 -0.149 1.00 0.00 N ATOM 423 CA ILE A 26 0.872 -1.855 0.881 1.00 0.00 C ATOM 424 C ILE A 26 2.343 -1.626 1.209 1.00 0.00 C ATOM 425 O ILE A 26 2.745 -0.518 1.566 1.00 0.00 O ATOM 426 CB ILE A 26 0.123 -2.241 2.171 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.312 -2.661 1.847 1.00 0.00 C ATOM 428 CG2 ILE A 26 0.132 -1.082 3.157 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.068 -3.205 3.039 1.00 0.00 C ATOM 0 H ILE A 26 0.483 -3.800 0.206 1.00 0.00 H new ATOM 0 HA ILE A 26 0.445 -0.935 0.483 1.00 0.00 H new ATOM 0 HB ILE A 26 0.634 -3.087 2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.851 -1.803 1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.292 -3.419 1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.401 -1.371 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.161 -0.826 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.358 -0.218 2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.077 -3.482 2.734 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.552 -4.083 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.120 -2.442 3.816 1.00 0.00 H new ATOM 441 N PHE A 27 3.143 -2.680 1.085 1.00 0.00 N ATOM 442 CA PHE A 27 4.571 -2.594 1.367 1.00 0.00 C ATOM 443 C PHE A 27 5.373 -3.448 0.387 1.00 0.00 C ATOM 444 O PHE A 27 5.815 -4.546 0.725 1.00 0.00 O ATOM 445 CB PHE A 27 4.858 -3.039 2.802 1.00 0.00 C ATOM 446 CG PHE A 27 6.032 -2.339 3.426 1.00 0.00 C ATOM 447 CD1 PHE A 27 7.204 -2.148 2.710 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.963 -1.873 4.728 1.00 0.00 C ATOM 449 CE1 PHE A 27 8.285 -1.506 3.283 1.00 0.00 C ATOM 450 CE2 PHE A 27 7.042 -1.228 5.307 1.00 0.00 C ATOM 451 CZ PHE A 27 8.203 -1.045 4.582 1.00 0.00 C ATOM 0 H PHE A 27 2.826 -3.604 0.791 1.00 0.00 H new ATOM 0 HA PHE A 27 4.876 -1.554 1.249 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.973 -2.861 3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.040 -4.114 2.811 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.273 -2.505 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.057 -2.014 5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.193 -1.365 2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.976 -0.869 6.323 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.046 -0.542 5.031 1.00 0.00 H new ATOM 461 N PRO A 28 5.570 -2.952 -0.846 1.00 0.00 N ATOM 462 CA PRO A 28 6.323 -3.675 -1.878 1.00 0.00 C ATOM 463 C PRO A 28 7.708 -4.094 -1.396 1.00 0.00 C ATOM 464 O PRO A 28 8.019 -5.284 -1.330 1.00 0.00 O ATOM 465 CB PRO A 28 6.439 -2.660 -3.016 1.00 0.00 C ATOM 466 CG PRO A 28 5.289 -1.733 -2.818 1.00 0.00 C ATOM 467 CD PRO A 28 5.077 -1.650 -1.333 1.00 0.00 C ATOM 0 HA PRO A 28 5.828 -4.602 -2.167 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.389 -2.127 -2.975 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.390 -3.149 -3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.503 -0.750 -3.237 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.396 -2.106 -3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.631 -0.820 -0.893 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.026 -1.499 -1.085 1.00 0.00 H new ATOM 475 N THR A 29 8.537 -3.111 -1.062 1.00 0.00 N ATOM 476 CA THR A 29 9.890 -3.378 -0.587 1.00 0.00 C ATOM 477 C THR A 29 9.863 -4.151 0.731 1.00 0.00 C ATOM 478 O THR A 29 8.949 -3.982 1.539 1.00 0.00 O ATOM 479 CB THR A 29 10.659 -2.069 -0.407 1.00 0.00 C ATOM 480 OG1 THR A 29 9.790 -1.030 0.006 1.00 0.00 O ATOM 481 CG2 THR A 29 11.358 -1.608 -1.668 1.00 0.00 C ATOM 0 H THR A 29 8.296 -2.121 -1.111 1.00 0.00 H new ATOM 0 HA THR A 29 10.396 -3.988 -1.335 1.00 0.00 H new ATOM 0 HB THR A 29 11.413 -2.279 0.352 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.301 -0.201 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.885 -0.674 -1.471 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.072 -2.367 -1.986 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.621 -1.450 -2.456 1.00 0.00 H new ATOM 489 N PRO A 30 10.868 -5.013 0.963 1.00 0.00 N ATOM 490 CA PRO A 30 10.954 -5.812 2.190 1.00 0.00 C ATOM 491 C PRO A 30 11.333 -4.970 3.404 1.00 0.00 C ATOM 492 O PRO A 30 12.090 -4.006 3.292 1.00 0.00 O ATOM 493 CB PRO A 30 12.055 -6.823 1.874 1.00 0.00 C ATOM 494 CG PRO A 30 12.918 -6.140 0.871 1.00 0.00 C ATOM 495 CD PRO A 30 11.998 -5.276 0.052 1.00 0.00 C ATOM 0 HA PRO A 30 9.999 -6.268 2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.620 -7.086 2.768 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.640 -7.749 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.685 -5.539 1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.435 -6.865 0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.486 -4.352 -0.259 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.672 -5.785 -0.855 1.00 0.00 H new ATOM 503 N ASP A 31 10.805 -5.344 4.565 1.00 0.00 N ATOM 504 CA ASP A 31 11.088 -4.625 5.800 1.00 0.00 C ATOM 505 C ASP A 31 11.042 -5.570 7.000 1.00 0.00 C ATOM 506 O ASP A 31 10.040 -5.631 7.712 1.00 0.00 O ATOM 507 CB ASP A 31 10.084 -3.487 5.994 1.00 0.00 C ATOM 508 CG ASP A 31 10.645 -2.359 6.839 1.00 0.00 C ATOM 509 OD1 ASP A 31 11.280 -1.449 6.267 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.450 -2.387 8.072 1.00 0.00 O ATOM 0 H ASP A 31 10.179 -6.141 4.675 1.00 0.00 H new ATOM 0 HA ASP A 31 12.091 -4.206 5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.789 -3.096 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.183 -3.878 6.466 1.00 0.00 H new ATOM 515 N PRO A 32 12.132 -6.319 7.241 1.00 0.00 N ATOM 516 CA PRO A 32 12.211 -7.262 8.363 1.00 0.00 C ATOM 517 C PRO A 32 12.005 -6.577 9.711 1.00 0.00 C ATOM 518 O PRO A 32 11.688 -7.230 10.706 1.00 0.00 O ATOM 519 CB PRO A 32 13.631 -7.835 8.265 1.00 0.00 C ATOM 520 CG PRO A 32 14.381 -6.882 7.397 1.00 0.00 C ATOM 521 CD PRO A 32 13.372 -6.307 6.448 1.00 0.00 C ATOM 0 HA PRO A 32 11.432 -8.022 8.305 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.091 -7.916 9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.622 -8.836 7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.849 -6.098 7.992 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.179 -7.391 6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.641 -5.299 6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.279 -6.908 5.544 1.00 0.00 H new ATOM 529 N ALA A 33 12.180 -5.259 9.738 1.00 0.00 N ATOM 530 CA ALA A 33 12.006 -4.492 10.962 1.00 0.00 C ATOM 531 C ALA A 33 10.529 -4.239 11.238 1.00 0.00 C ATOM 532 O ALA A 33 10.123 -4.058 12.386 1.00 0.00 O ATOM 533 CB ALA A 33 12.763 -3.175 10.874 1.00 0.00 C ATOM 0 H ALA A 33 12.442 -4.702 8.925 1.00 0.00 H new ATOM 0 HA ALA A 33 12.412 -5.073 11.790 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.623 -2.613 11.797 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.825 -3.375 10.728 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.384 -2.593 10.034 1.00 0.00 H new ATOM 539 N ALA A 34 9.727 -4.229 10.176 1.00 0.00 N ATOM 540 CA ALA A 34 8.295 -4.000 10.305 1.00 0.00 C ATOM 541 C ALA A 34 7.589 -5.233 10.861 1.00 0.00 C ATOM 542 O ALA A 34 6.535 -5.128 11.486 1.00 0.00 O ATOM 543 CB ALA A 34 7.700 -3.610 8.960 1.00 0.00 C ATOM 0 H ALA A 34 10.046 -4.377 9.219 1.00 0.00 H new ATOM 0 HA ALA A 34 8.145 -3.180 11.008 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.629 -3.442 9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.176 -2.697 8.603 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.869 -4.412 8.241 1.00 0.00 H new ATOM 549 N LEU A 35 8.180 -6.402 10.628 1.00 0.00 N ATOM 550 CA LEU A 35 7.610 -7.659 11.105 1.00 0.00 C ATOM 551 C LEU A 35 7.348 -7.608 12.607 1.00 0.00 C ATOM 552 O LEU A 35 6.439 -8.267 13.111 1.00 0.00 O ATOM 553 CB LEU A 35 8.552 -8.821 10.779 1.00 0.00 C ATOM 554 CG LEU A 35 8.505 -9.313 9.330 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.230 -10.100 9.074 1.00 0.00 C ATOM 556 CD2 LEU A 35 8.614 -8.143 8.364 1.00 0.00 C ATOM 0 H LEU A 35 9.054 -6.505 10.112 1.00 0.00 H new ATOM 0 HA LEU A 35 6.658 -7.813 10.597 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.573 -8.515 11.009 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.313 -9.656 11.437 1.00 0.00 H new ATOM 0 HG LEU A 35 9.355 -9.974 9.165 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.215 -10.441 8.039 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.194 -10.962 9.741 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.366 -9.462 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.579 -8.513 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.785 -7.455 8.530 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.557 -7.621 8.529 1.00 0.00 H new ATOM 568 N LYS A 36 8.151 -6.823 13.318 1.00 0.00 N ATOM 569 CA LYS A 36 8.005 -6.687 14.762 1.00 0.00 C ATOM 570 C LYS A 36 7.184 -5.451 15.116 1.00 0.00 C ATOM 571 O LYS A 36 6.511 -5.414 16.146 1.00 0.00 O ATOM 572 CB LYS A 36 9.380 -6.608 15.429 1.00 0.00 C ATOM 573 CG LYS A 36 10.213 -7.868 15.257 1.00 0.00 C ATOM 574 CD LYS A 36 11.691 -7.543 15.116 1.00 0.00 C ATOM 575 CE LYS A 36 12.560 -8.740 15.468 1.00 0.00 C ATOM 576 NZ LYS A 36 13.809 -8.332 16.170 1.00 0.00 N ATOM 0 H LYS A 36 8.910 -6.271 12.917 1.00 0.00 H new ATOM 0 HA LYS A 36 7.478 -7.567 15.131 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.927 -5.761 15.015 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.248 -6.412 16.493 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.064 -8.524 16.115 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.873 -8.413 14.376 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.900 -7.229 14.093 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.944 -6.705 15.765 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.995 -9.425 16.100 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.816 -9.283 14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.374 -9.176 16.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.361 -7.698 15.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.566 -7.836 17.051 1.00 0.00 H new ATOM 590 N ASP A 37 7.246 -4.438 14.256 1.00 0.00 N ATOM 591 CA ASP A 37 6.508 -3.200 14.479 1.00 0.00 C ATOM 592 C ASP A 37 5.011 -3.468 14.593 1.00 0.00 C ATOM 593 O ASP A 37 4.459 -4.291 13.861 1.00 0.00 O ATOM 594 CB ASP A 37 6.775 -2.211 13.343 1.00 0.00 C ATOM 595 CG ASP A 37 8.115 -1.516 13.485 1.00 0.00 C ATOM 596 OD1 ASP A 37 9.037 -2.118 14.073 1.00 0.00 O ATOM 597 OD2 ASP A 37 8.241 -0.368 13.007 1.00 0.00 O ATOM 0 H ASP A 37 7.799 -4.451 13.399 1.00 0.00 H new ATOM 0 HA ASP A 37 6.852 -2.767 15.418 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.742 -2.739 12.390 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.982 -1.464 13.321 1.00 0.00 H new ATOM 602 N ARG A 38 4.358 -2.767 15.515 1.00 0.00 N ATOM 603 CA ARG A 38 2.923 -2.929 15.726 1.00 0.00 C ATOM 604 C ARG A 38 2.145 -2.595 14.457 1.00 0.00 C ATOM 605 O ARG A 38 1.074 -3.148 14.211 1.00 0.00 O ATOM 606 CB ARG A 38 2.452 -2.035 16.874 1.00 0.00 C ATOM 607 CG ARG A 38 3.011 -2.438 18.228 1.00 0.00 C ATOM 608 CD ARG A 38 2.674 -3.882 18.563 1.00 0.00 C ATOM 609 NE ARG A 38 3.773 -4.790 18.243 1.00 0.00 N ATOM 610 CZ ARG A 38 4.867 -4.923 18.990 1.00 0.00 C ATOM 611 NH1 ARG A 38 5.010 -4.210 20.101 1.00 0.00 N ATOM 612 NH2 ARG A 38 5.818 -5.772 18.627 1.00 0.00 N ATOM 0 H ARG A 38 4.799 -2.081 16.128 1.00 0.00 H new ATOM 0 HA ARG A 38 2.735 -3.971 15.983 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.740 -1.005 16.663 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.363 -2.058 16.918 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.093 -2.306 18.230 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.608 -1.781 18.999 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.435 -3.962 19.624 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.783 -4.183 18.012 1.00 0.00 H new ATOM 0 HE ARG A 38 3.698 -5.355 17.397 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.280 -3.557 20.385 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.850 -4.315 20.670 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.712 -6.323 17.775 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.656 -5.874 19.199 1.00 0.00 H new ATOM 626 N ARG A 39 2.692 -1.687 13.655 1.00 0.00 N ATOM 627 CA ARG A 39 2.053 -1.276 12.408 1.00 0.00 C ATOM 628 C ARG A 39 1.679 -2.488 11.560 1.00 0.00 C ATOM 629 O ARG A 39 0.533 -2.635 11.137 1.00 0.00 O ATOM 630 CB ARG A 39 2.983 -0.354 11.618 1.00 0.00 C ATOM 631 CG ARG A 39 2.255 0.592 10.675 1.00 0.00 C ATOM 632 CD ARG A 39 1.606 -0.151 9.516 1.00 0.00 C ATOM 633 NE ARG A 39 2.576 -0.919 8.738 1.00 0.00 N ATOM 634 CZ ARG A 39 2.365 -1.333 7.491 1.00 0.00 C ATOM 635 NH1 ARG A 39 1.220 -1.061 6.877 1.00 0.00 N ATOM 636 NH2 ARG A 39 3.301 -2.023 6.855 1.00 0.00 N ATOM 0 H ARG A 39 3.579 -1.220 13.846 1.00 0.00 H new ATOM 0 HA ARG A 39 1.139 -0.736 12.657 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.578 0.233 12.318 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.679 -0.963 11.041 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.492 1.140 11.228 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.958 1.329 10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.839 -0.823 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.105 0.564 8.864 1.00 0.00 H new ATOM 0 HE ARG A 39 3.467 -1.151 9.177 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.495 -0.531 7.361 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.065 -1.382 5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.183 -2.237 7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.140 -2.341 5.899 1.00 0.00 H new ATOM 650 N MET A 40 2.656 -3.356 11.318 1.00 0.00 N ATOM 651 CA MET A 40 2.432 -4.558 10.522 1.00 0.00 C ATOM 652 C MET A 40 1.349 -5.432 11.146 1.00 0.00 C ATOM 653 O MET A 40 0.640 -6.154 10.445 1.00 0.00 O ATOM 654 CB MET A 40 3.730 -5.355 10.386 1.00 0.00 C ATOM 655 CG MET A 40 3.881 -6.044 9.040 1.00 0.00 C ATOM 656 SD MET A 40 3.941 -4.878 7.666 1.00 0.00 S ATOM 657 CE MET A 40 5.287 -5.560 6.701 1.00 0.00 C ATOM 0 H MET A 40 3.610 -3.250 11.662 1.00 0.00 H new ATOM 0 HA MET A 40 2.098 -4.249 9.532 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.576 -4.685 10.539 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.771 -6.105 11.176 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.792 -6.643 9.043 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.048 -6.731 8.892 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.552 -4.865 5.905 1.00 0.00 H new ATOM 0 HE2 MET A 40 6.151 -5.721 7.345 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.977 -6.510 6.265 1.00 0.00 H new ATOM 667 N GLU A 41 1.224 -5.362 12.469 1.00 0.00 N ATOM 668 CA GLU A 41 0.224 -6.145 13.186 1.00 0.00 C ATOM 669 C GLU A 41 -1.173 -5.874 12.640 1.00 0.00 C ATOM 670 O GLU A 41 -2.028 -6.759 12.624 1.00 0.00 O ATOM 671 CB GLU A 41 0.273 -5.827 14.681 1.00 0.00 C ATOM 672 CG GLU A 41 -0.278 -6.939 15.558 1.00 0.00 C ATOM 673 CD GLU A 41 0.563 -7.176 16.797 1.00 0.00 C ATOM 674 OE1 GLU A 41 0.800 -6.206 17.548 1.00 0.00 O ATOM 675 OE2 GLU A 41 0.985 -8.331 17.017 1.00 0.00 O ATOM 0 H GLU A 41 1.803 -4.771 13.065 1.00 0.00 H new ATOM 0 HA GLU A 41 0.452 -7.201 13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.305 -5.627 14.968 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.292 -4.914 14.868 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.296 -6.690 15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.332 -7.861 14.978 1.00 0.00 H new ATOM 682 N ASN A 42 -1.398 -4.643 12.191 1.00 0.00 N ATOM 683 CA ASN A 42 -2.690 -4.254 11.641 1.00 0.00 C ATOM 684 C ASN A 42 -2.829 -4.729 10.199 1.00 0.00 C ATOM 685 O ASN A 42 -3.928 -5.039 9.739 1.00 0.00 O ATOM 686 CB ASN A 42 -2.861 -2.735 11.708 1.00 0.00 C ATOM 687 CG ASN A 42 -3.529 -2.285 12.994 1.00 0.00 C ATOM 688 OD1 ASN A 42 -3.031 -2.546 14.089 1.00 0.00 O ATOM 689 ND2 ASN A 42 -4.662 -1.605 12.865 1.00 0.00 N ATOM 0 H ASN A 42 -0.701 -3.898 12.198 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.469 -4.726 12.239 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.885 -2.258 11.623 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.455 -2.401 10.857 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.156 -1.276 13.694 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.038 -1.412 11.937 1.00 0.00 H new ATOM 696 N LEU A 43 -1.706 -4.784 9.489 1.00 0.00 N ATOM 697 CA LEU A 43 -1.700 -5.224 8.100 1.00 0.00 C ATOM 698 C LEU A 43 -2.139 -6.681 7.988 1.00 0.00 C ATOM 699 O LEU A 43 -2.927 -7.037 7.111 1.00 0.00 O ATOM 700 CB LEU A 43 -0.306 -5.047 7.492 1.00 0.00 C ATOM 701 CG LEU A 43 -0.273 -4.309 6.153 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.162 -4.023 5.737 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.989 -5.118 5.083 1.00 0.00 C ATOM 0 H LEU A 43 -0.788 -4.529 9.854 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.409 -4.608 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.318 -4.506 8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.143 -6.031 7.358 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.792 -3.358 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.166 -3.497 4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.644 -3.404 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.706 -4.962 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.956 -4.579 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.497 -6.084 4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.027 -5.272 5.377 1.00 0.00 H new ATOM 715 N VAL A 44 -1.627 -7.518 8.884 1.00 0.00 N ATOM 716 CA VAL A 44 -1.968 -8.936 8.888 1.00 0.00 C ATOM 717 C VAL A 44 -3.471 -9.136 9.043 1.00 0.00 C ATOM 718 O VAL A 44 -4.119 -9.739 8.186 1.00 0.00 O ATOM 719 CB VAL A 44 -1.242 -9.686 10.021 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.482 -11.184 9.910 1.00 0.00 C ATOM 721 CG2 VAL A 44 0.247 -9.373 9.998 1.00 0.00 C ATOM 0 H VAL A 44 -0.974 -7.239 9.617 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.645 -9.343 7.930 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.647 -9.348 10.975 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.961 -11.697 10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.551 -11.387 9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.106 -11.543 8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.744 -9.911 10.805 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.669 -9.682 9.042 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.396 -8.301 10.131 1.00 0.00 H new ATOM 731 N ALA A 45 -4.021 -8.624 10.139 1.00 0.00 N ATOM 732 CA ALA A 45 -5.450 -8.744 10.403 1.00 0.00 C ATOM 733 C ALA A 45 -6.268 -8.112 9.283 1.00 0.00 C ATOM 734 O ALA A 45 -7.350 -8.591 8.943 1.00 0.00 O ATOM 735 CB ALA A 45 -5.794 -8.103 11.739 1.00 0.00 C ATOM 0 H ALA A 45 -3.499 -8.123 10.858 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.701 -9.804 10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.864 -8.199 11.924 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.242 -8.602 12.535 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.523 -7.047 11.716 1.00 0.00 H new ATOM 741 N TYR A 46 -5.742 -7.034 8.711 1.00 0.00 N ATOM 742 CA TYR A 46 -6.419 -6.334 7.626 1.00 0.00 C ATOM 743 C TYR A 46 -6.536 -7.230 6.397 1.00 0.00 C ATOM 744 O TYR A 46 -7.631 -7.447 5.876 1.00 0.00 O ATOM 745 CB TYR A 46 -5.665 -5.051 7.270 1.00 0.00 C ATOM 746 CG TYR A 46 -6.287 -4.275 6.130 1.00 0.00 C ATOM 747 CD1 TYR A 46 -7.315 -3.370 6.360 1.00 0.00 C ATOM 748 CD2 TYR A 46 -5.844 -4.449 4.825 1.00 0.00 C ATOM 749 CE1 TYR A 46 -7.886 -2.660 5.320 1.00 0.00 C ATOM 750 CE2 TYR A 46 -6.408 -3.742 3.780 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.428 -2.849 4.033 1.00 0.00 C ATOM 752 OH TYR A 46 -7.994 -2.144 2.995 1.00 0.00 O ATOM 0 H TYR A 46 -4.847 -6.626 8.982 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.423 -6.073 7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.619 -4.411 8.151 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.638 -5.305 7.007 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.674 -3.218 7.367 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.046 -5.148 4.624 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.686 -1.961 5.514 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.052 -3.888 2.771 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.557 -2.393 2.154 1.00 0.00 H new ATOM 762 N ALA A 47 -5.402 -7.751 5.941 1.00 0.00 N ATOM 763 CA ALA A 47 -5.375 -8.627 4.775 1.00 0.00 C ATOM 764 C ALA A 47 -6.279 -9.837 4.978 1.00 0.00 C ATOM 765 O ALA A 47 -6.827 -10.383 4.021 1.00 0.00 O ATOM 766 CB ALA A 47 -3.950 -9.074 4.485 1.00 0.00 C ATOM 0 H ALA A 47 -4.488 -7.582 6.362 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.750 -8.065 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.944 -9.727 3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.328 -8.201 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.556 -9.615 5.346 1.00 0.00 H new ATOM 772 N LYS A 48 -6.432 -10.252 6.232 1.00 0.00 N ATOM 773 CA LYS A 48 -7.272 -11.397 6.562 1.00 0.00 C ATOM 774 C LYS A 48 -8.735 -11.109 6.239 1.00 0.00 C ATOM 775 O LYS A 48 -9.479 -12.001 5.833 1.00 0.00 O ATOM 776 CB LYS A 48 -7.123 -11.755 8.042 1.00 0.00 C ATOM 777 CG LYS A 48 -7.016 -13.249 8.300 1.00 0.00 C ATOM 778 CD LYS A 48 -6.089 -13.549 9.467 1.00 0.00 C ATOM 779 CE LYS A 48 -6.870 -13.824 10.742 1.00 0.00 C ATOM 780 NZ LYS A 48 -6.028 -13.654 11.958 1.00 0.00 N ATOM 0 H LYS A 48 -5.985 -9.812 7.036 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.946 -12.243 5.957 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.235 -11.262 8.439 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.979 -11.361 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.006 -13.655 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.648 -13.748 7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.467 -14.411 9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.417 -12.706 9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.725 -13.150 10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.265 -14.839 10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.598 -13.851 12.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.226 -14.314 11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.671 -12.678 12.000 1.00 0.00 H new ATOM 794 N LYS A 49 -9.139 -9.857 6.422 1.00 0.00 N ATOM 795 CA LYS A 49 -10.512 -9.449 6.149 1.00 0.00 C ATOM 796 C LYS A 49 -10.721 -9.201 4.659 1.00 0.00 C ATOM 797 O LYS A 49 -11.767 -9.539 4.104 1.00 0.00 O ATOM 798 CB LYS A 49 -10.857 -8.186 6.941 1.00 0.00 C ATOM 799 CG LYS A 49 -12.352 -7.958 7.101 1.00 0.00 C ATOM 800 CD LYS A 49 -12.923 -7.173 5.931 1.00 0.00 C ATOM 801 CE LYS A 49 -12.313 -5.785 5.840 1.00 0.00 C ATOM 802 NZ LYS A 49 -13.256 -4.802 5.239 1.00 0.00 N ATOM 0 H LYS A 49 -8.535 -9.107 6.758 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.173 -10.258 6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.400 -8.250 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.417 -7.323 6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.861 -8.918 7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.542 -7.419 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.737 -7.714 5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.004 -7.090 6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -12.025 -5.449 6.836 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.403 -5.827 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.802 -3.867 5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.512 -5.109 4.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.114 -4.742 5.823 1.00 0.00 H new ATOM 816 N VAL A 50 -9.721 -8.605 4.016 1.00 0.00 N ATOM 817 CA VAL A 50 -9.797 -8.309 2.591 1.00 0.00 C ATOM 818 C VAL A 50 -9.603 -9.566 1.753 1.00 0.00 C ATOM 819 O VAL A 50 -10.327 -9.787 0.783 1.00 0.00 O ATOM 820 CB VAL A 50 -8.748 -7.260 2.176 1.00 0.00 C ATOM 821 CG1 VAL A 50 -8.973 -6.816 0.739 1.00 0.00 C ATOM 822 CG2 VAL A 50 -8.782 -6.069 3.122 1.00 0.00 C ATOM 0 H VAL A 50 -8.849 -8.318 4.460 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.793 -7.907 2.408 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.760 -7.717 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.222 -6.075 0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.892 -7.677 0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.966 -6.377 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.034 -5.338 2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.771 -5.611 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.565 -6.404 4.136 1.00 0.00 H new ATOM 832 N GLU A 51 -8.629 -10.393 2.128 1.00 0.00 N ATOM 833 CA GLU A 51 -8.364 -11.629 1.396 1.00 0.00 C ATOM 834 C GLU A 51 -9.657 -12.408 1.193 1.00 0.00 C ATOM 835 O GLU A 51 -9.931 -12.903 0.100 1.00 0.00 O ATOM 836 CB GLU A 51 -7.333 -12.486 2.135 1.00 0.00 C ATOM 837 CG GLU A 51 -7.837 -13.052 3.454 1.00 0.00 C ATOM 838 CD GLU A 51 -6.808 -13.925 4.144 1.00 0.00 C ATOM 839 OE1 GLU A 51 -5.693 -13.431 4.414 1.00 0.00 O ATOM 840 OE2 GLU A 51 -7.117 -15.105 4.414 1.00 0.00 O ATOM 0 H GLU A 51 -8.016 -10.232 2.927 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.954 -11.371 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.029 -13.310 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.444 -11.885 2.324 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.114 -12.231 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.740 -13.635 3.274 1.00 0.00 H new ATOM 847 N GLY A 52 -10.464 -12.486 2.247 1.00 0.00 N ATOM 848 CA GLY A 52 -11.733 -13.176 2.148 1.00 0.00 C ATOM 849 C GLY A 52 -12.640 -12.488 1.151 1.00 0.00 C ATOM 850 O GLY A 52 -13.431 -13.134 0.461 1.00 0.00 O ATOM 0 H GLY A 52 -10.261 -12.085 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.568 -14.210 1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.214 -13.204 3.126 1.00 0.00 H new ATOM 854 N ASP A 53 -12.502 -11.167 1.066 1.00 0.00 N ATOM 855 CA ASP A 53 -13.286 -10.368 0.136 1.00 0.00 C ATOM 856 C ASP A 53 -12.710 -10.485 -1.271 1.00 0.00 C ATOM 857 O ASP A 53 -13.431 -10.376 -2.263 1.00 0.00 O ATOM 858 CB ASP A 53 -13.302 -8.903 0.575 1.00 0.00 C ATOM 859 CG ASP A 53 -14.486 -8.579 1.465 1.00 0.00 C ATOM 860 OD1 ASP A 53 -14.929 -9.475 2.214 1.00 0.00 O ATOM 861 OD2 ASP A 53 -14.969 -7.428 1.413 1.00 0.00 O ATOM 0 H ASP A 53 -11.850 -10.627 1.635 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.309 -10.743 0.132 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.378 -8.676 1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.328 -8.263 -0.307 1.00 0.00 H new ATOM 866 N MET A 54 -11.400 -10.712 -1.343 1.00 0.00 N ATOM 867 CA MET A 54 -10.711 -10.849 -2.620 1.00 0.00 C ATOM 868 C MET A 54 -10.909 -12.246 -3.195 1.00 0.00 C ATOM 869 O MET A 54 -10.957 -12.428 -4.411 1.00 0.00 O ATOM 870 CB MET A 54 -9.218 -10.563 -2.450 1.00 0.00 C ATOM 871 CG MET A 54 -8.916 -9.129 -2.042 1.00 0.00 C ATOM 872 SD MET A 54 -9.506 -7.925 -3.247 1.00 0.00 S ATOM 873 CE MET A 54 -11.189 -7.681 -2.687 1.00 0.00 C ATOM 0 H MET A 54 -10.794 -10.805 -0.528 1.00 0.00 H new ATOM 0 HA MET A 54 -11.136 -10.125 -3.315 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.810 -11.239 -1.699 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.706 -10.781 -3.387 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.377 -8.926 -1.075 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.840 -9.011 -1.913 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.443 -6.623 -2.748 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.869 -8.254 -3.318 1.00 0.00 H new ATOM 0 HE3 MET A 54 -11.281 -8.018 -1.654 1.00 0.00 H new ATOM 883 N TYR A 55 -11.022 -13.232 -2.311 1.00 0.00 N ATOM 884 CA TYR A 55 -11.215 -14.615 -2.729 1.00 0.00 C ATOM 885 C TYR A 55 -12.654 -14.858 -3.178 1.00 0.00 C ATOM 886 O TYR A 55 -12.920 -15.778 -3.942 1.00 0.00 O ATOM 887 CB TYR A 55 -10.846 -15.575 -1.591 1.00 0.00 C ATOM 888 CG TYR A 55 -11.238 -17.017 -1.850 1.00 0.00 C ATOM 889 CD1 TYR A 55 -12.540 -17.449 -1.633 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.307 -17.943 -2.311 1.00 0.00 C ATOM 891 CE1 TYR A 55 -12.904 -18.762 -1.867 1.00 0.00 C ATOM 892 CE2 TYR A 55 -10.665 -19.257 -2.548 1.00 0.00 C ATOM 893 CZ TYR A 55 -11.964 -19.661 -2.323 1.00 0.00 C ATOM 894 OH TYR A 55 -12.325 -20.968 -2.557 1.00 0.00 O ATOM 0 H TYR A 55 -10.983 -13.098 -1.301 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.557 -14.804 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.770 -15.526 -1.423 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.328 -15.237 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.280 -16.748 -1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.288 -17.630 -2.486 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -13.921 -19.082 -1.693 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.931 -19.963 -2.907 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.437 -21.109 -3.520 1.00 0.00 H new ATOM 904 N GLU A 56 -13.580 -14.038 -2.695 1.00 0.00 N ATOM 905 CA GLU A 56 -14.986 -14.189 -3.058 1.00 0.00 C ATOM 906 C GLU A 56 -15.327 -13.389 -4.313 1.00 0.00 C ATOM 907 O GLU A 56 -16.202 -13.778 -5.087 1.00 0.00 O ATOM 908 CB GLU A 56 -15.886 -13.767 -1.897 1.00 0.00 C ATOM 909 CG GLU A 56 -16.570 -14.941 -1.221 1.00 0.00 C ATOM 910 CD GLU A 56 -18.006 -14.639 -0.836 1.00 0.00 C ATOM 911 OE1 GLU A 56 -18.806 -14.313 -1.738 1.00 0.00 O ATOM 912 OE2 GLU A 56 -18.329 -14.729 0.367 1.00 0.00 O ATOM 0 H GLU A 56 -13.386 -13.267 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.162 -15.243 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.291 -13.227 -1.161 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.643 -13.075 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.551 -15.802 -1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.009 -15.218 -0.328 1.00 0.00 H new ATOM 919 N SER A 57 -14.630 -12.273 -4.514 1.00 0.00 N ATOM 920 CA SER A 57 -14.865 -11.427 -5.683 1.00 0.00 C ATOM 921 C SER A 57 -14.862 -12.260 -6.964 1.00 0.00 C ATOM 922 O SER A 57 -15.517 -11.914 -7.947 1.00 0.00 O ATOM 923 CB SER A 57 -13.799 -10.333 -5.767 1.00 0.00 C ATOM 924 OG SER A 57 -14.356 -9.110 -6.216 1.00 0.00 O ATOM 0 H SER A 57 -13.901 -11.934 -3.886 1.00 0.00 H new ATOM 0 HA SER A 57 -15.845 -10.961 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.342 -10.190 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.006 -10.646 -6.446 1.00 0.00 H new ATOM 0 HG SER A 57 -13.698 -8.392 -6.108 1.00 0.00 H new ATOM 930 N ALA A 58 -14.124 -13.365 -6.932 1.00 0.00 N ATOM 931 CA ALA A 58 -14.028 -14.268 -8.069 1.00 0.00 C ATOM 932 C ALA A 58 -15.095 -15.333 -8.005 1.00 0.00 C ATOM 933 O ALA A 58 -15.289 -15.967 -6.975 1.00 0.00 O ATOM 934 CB ALA A 58 -12.653 -14.926 -8.099 1.00 0.00 C ATOM 0 H ALA A 58 -13.579 -13.657 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.174 -13.684 -8.978 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.591 -15.600 -8.953 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.884 -14.158 -8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.500 -15.491 -7.179 1.00 0.00 H new ATOM 940 N ASN A 59 -15.739 -15.566 -9.130 1.00 0.00 N ATOM 941 CA ASN A 59 -16.727 -16.618 -9.216 1.00 0.00 C ATOM 942 C ASN A 59 -16.090 -17.767 -9.977 1.00 0.00 C ATOM 943 O ASN A 59 -16.735 -18.769 -10.290 1.00 0.00 O ATOM 944 CB ASN A 59 -18.008 -16.165 -9.915 1.00 0.00 C ATOM 945 CG ASN A 59 -17.738 -15.481 -11.241 1.00 0.00 C ATOM 946 OD1 ASN A 59 -17.790 -14.256 -11.342 1.00 0.00 O ATOM 947 ND2 ASN A 59 -17.447 -16.273 -12.267 1.00 0.00 N ATOM 0 H ASN A 59 -15.596 -15.043 -9.994 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.023 -16.917 -8.210 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.652 -17.029 -10.080 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.552 -15.482 -9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.256 -15.870 -13.184 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.415 -17.284 -12.138 1.00 0.00 H new ATOM 954 N SER A 60 -14.800 -17.594 -10.274 1.00 0.00 N ATOM 955 CA SER A 60 -14.040 -18.599 -11.006 1.00 0.00 C ATOM 956 C SER A 60 -12.569 -18.562 -10.606 1.00 0.00 C ATOM 957 O SER A 60 -12.141 -17.687 -9.854 1.00 0.00 O ATOM 958 CB SER A 60 -14.177 -18.377 -12.513 1.00 0.00 C ATOM 959 OG SER A 60 -14.179 -19.610 -13.213 1.00 0.00 O ATOM 0 H SER A 60 -14.263 -16.766 -10.017 1.00 0.00 H new ATOM 0 HA SER A 60 -14.444 -19.580 -10.754 1.00 0.00 H new ATOM 0 HB2 SER A 60 -15.100 -17.836 -12.721 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.355 -17.755 -12.868 1.00 0.00 H new ATOM 0 HG SER A 60 -14.269 -19.440 -14.174 1.00 0.00 H new ATOM 965 N ARG A 61 -11.802 -19.520 -11.111 1.00 0.00 N ATOM 966 CA ARG A 61 -10.379 -19.601 -10.806 1.00 0.00 C ATOM 967 C ARG A 61 -9.621 -18.429 -11.428 1.00 0.00 C ATOM 968 O ARG A 61 -8.990 -17.641 -10.723 1.00 0.00 O ATOM 969 CB ARG A 61 -9.810 -20.932 -11.320 1.00 0.00 C ATOM 970 CG ARG A 61 -8.289 -21.032 -11.261 1.00 0.00 C ATOM 971 CD ARG A 61 -7.824 -21.633 -9.946 1.00 0.00 C ATOM 972 NE ARG A 61 -8.498 -21.018 -8.815 1.00 0.00 N ATOM 973 CZ ARG A 61 -8.277 -19.773 -8.413 1.00 0.00 C ATOM 974 NH1 ARG A 61 -7.357 -19.024 -9.008 1.00 0.00 N ATOM 975 NH2 ARG A 61 -8.982 -19.280 -7.411 1.00 0.00 N ATOM 0 H ARG A 61 -12.142 -20.252 -11.734 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.254 -19.551 -9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.238 -21.746 -10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.132 -21.077 -12.351 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.931 -21.643 -12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.853 -20.041 -11.384 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.016 -22.706 -9.946 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.747 -21.502 -9.845 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.180 -21.575 -8.301 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.812 -19.404 -9.782 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.195 -18.068 -8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.689 -19.855 -6.953 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.819 -18.324 -7.095 1.00 0.00 H new ATOM 989 N ASP A 62 -9.678 -18.331 -12.753 1.00 0.00 N ATOM 990 CA ASP A 62 -8.990 -17.267 -13.481 1.00 0.00 C ATOM 991 C ASP A 62 -9.308 -15.893 -12.899 1.00 0.00 C ATOM 992 O ASP A 62 -8.421 -15.050 -12.756 1.00 0.00 O ATOM 993 CB ASP A 62 -9.376 -17.304 -14.960 1.00 0.00 C ATOM 994 CG ASP A 62 -8.769 -18.491 -15.685 1.00 0.00 C ATOM 995 OD1 ASP A 62 -7.546 -18.702 -15.560 1.00 0.00 O ATOM 996 OD2 ASP A 62 -9.521 -19.208 -16.380 1.00 0.00 O ATOM 0 H ASP A 62 -10.196 -18.978 -13.348 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.918 -17.438 -13.380 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.462 -17.343 -15.049 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.050 -16.382 -15.441 1.00 0.00 H new ATOM 1001 N GLU A 63 -10.576 -15.671 -12.567 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.007 -14.394 -12.005 1.00 0.00 C ATOM 1003 C GLU A 63 -10.153 -14.007 -10.800 1.00 0.00 C ATOM 1004 O GLU A 63 -9.665 -12.882 -10.710 1.00 0.00 O ATOM 1005 CB GLU A 63 -12.480 -14.464 -11.601 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.049 -13.131 -11.145 1.00 0.00 C ATOM 1007 CD GLU A 63 -12.905 -12.046 -12.193 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -11.765 -11.592 -12.425 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -13.932 -11.649 -12.783 1.00 0.00 O ATOM 0 H GLU A 63 -11.323 -16.357 -12.677 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.882 -13.629 -12.772 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.063 -14.828 -12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.594 -15.192 -10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.104 -13.256 -10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.543 -12.818 -10.232 1.00 0.00 H new ATOM 1016 N TYR A 64 -9.975 -14.947 -9.877 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.180 -14.705 -8.677 1.00 0.00 C ATOM 1018 C TYR A 64 -7.772 -14.236 -9.036 1.00 0.00 C ATOM 1019 O TYR A 64 -7.139 -13.502 -8.277 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.106 -15.976 -7.831 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.352 -15.808 -6.530 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -8.631 -14.752 -5.672 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -7.365 -16.714 -6.157 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -7.948 -14.604 -4.479 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -6.679 -16.572 -4.967 1.00 0.00 C ATOM 1026 CZ TYR A 64 -6.974 -15.516 -4.131 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.293 -15.371 -2.944 1.00 0.00 O ATOM 0 H TYR A 64 -10.371 -15.885 -9.937 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.666 -13.917 -8.102 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.119 -16.313 -7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -8.629 -16.762 -8.416 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.393 -14.036 -5.941 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.131 -17.543 -6.809 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.176 -13.778 -3.822 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.915 -17.285 -4.693 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.823 -16.204 -2.733 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.286 -14.668 -10.195 1.00 0.00 N ATOM 1038 CA TYR A 65 -5.952 -14.297 -10.653 1.00 0.00 C ATOM 1039 C TYR A 65 -5.936 -12.878 -11.214 1.00 0.00 C ATOM 1040 O TYR A 65 -5.159 -12.033 -10.771 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.464 -15.285 -11.715 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.538 -16.350 -11.172 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.479 -16.017 -10.337 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -4.725 -17.689 -11.492 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.630 -16.987 -9.839 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -3.881 -18.665 -10.997 1.00 0.00 C ATOM 1047 CZ TYR A 65 -2.836 -18.309 -10.172 1.00 0.00 C ATOM 1048 OH TYR A 65 -1.993 -19.278 -9.677 1.00 0.00 O ATOM 0 H TYR A 65 -7.797 -15.276 -10.835 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.280 -14.331 -9.795 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.327 -15.766 -12.175 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.949 -14.734 -12.502 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.316 -14.983 -10.073 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.543 -17.972 -12.138 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.810 -16.711 -9.193 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.040 -19.702 -11.255 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.118 -20.109 -10.181 1.00 0.00 H new ATOM 1058 N HIS A 66 -6.796 -12.624 -12.196 1.00 0.00 N ATOM 1059 CA HIS A 66 -6.876 -11.310 -12.824 1.00 0.00 C ATOM 1060 C HIS A 66 -7.463 -10.276 -11.868 1.00 0.00 C ATOM 1061 O HIS A 66 -6.913 -9.187 -11.701 1.00 0.00 O ATOM 1062 CB HIS A 66 -7.724 -11.384 -14.095 1.00 0.00 C ATOM 1063 CG HIS A 66 -7.009 -12.003 -15.256 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -5.927 -12.846 -15.111 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -7.225 -11.899 -16.589 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -5.509 -13.232 -16.302 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -6.279 -12.672 -17.216 1.00 0.00 N ATOM 0 H HIS A 66 -7.448 -13.312 -12.574 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.864 -10.999 -13.083 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.627 -11.958 -13.887 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -8.042 -10.378 -14.369 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.997 -11.317 -17.069 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.678 -13.894 -16.496 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.186 -12.794 -18.224 1.00 0.00 H new ATOM 1076 N LEU A 67 -8.586 -10.621 -11.248 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.256 -9.723 -10.312 1.00 0.00 C ATOM 1078 C LEU A 67 -8.302 -9.247 -9.220 1.00 0.00 C ATOM 1079 O LEU A 67 -8.098 -8.047 -9.041 1.00 0.00 O ATOM 1080 CB LEU A 67 -10.460 -10.424 -9.679 1.00 0.00 C ATOM 1081 CG LEU A 67 -11.208 -9.605 -8.626 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -12.711 -9.798 -8.767 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -10.748 -9.991 -7.228 1.00 0.00 C ATOM 0 H LEU A 67 -9.053 -11.518 -11.377 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.596 -8.851 -10.871 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.159 -10.696 -10.470 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.120 -11.353 -9.221 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.982 -8.550 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.226 -9.208 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.028 -9.473 -9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -12.957 -10.852 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.290 -9.399 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.945 -11.050 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.679 -9.801 -7.131 1.00 0.00 H new ATOM 1095 N LEU A 68 -7.725 -10.196 -8.490 1.00 0.00 N ATOM 1096 CA LEU A 68 -6.796 -9.875 -7.411 1.00 0.00 C ATOM 1097 C LEU A 68 -5.680 -8.953 -7.896 1.00 0.00 C ATOM 1098 O LEU A 68 -5.110 -8.190 -7.114 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.200 -11.158 -6.829 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.165 -10.949 -5.721 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -5.267 -12.054 -4.681 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -3.762 -10.894 -6.307 1.00 0.00 C ATOM 0 H LEU A 68 -7.884 -11.194 -8.626 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.353 -9.352 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.011 -11.771 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.735 -11.723 -7.637 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.371 -9.997 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.524 -11.889 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -6.264 -12.047 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.087 -13.018 -5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.039 -10.745 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.546 -11.830 -6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.695 -10.067 -7.014 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.372 -9.025 -9.186 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.325 -8.192 -9.768 1.00 0.00 C ATOM 1116 C ALA A 69 -4.781 -6.742 -9.885 1.00 0.00 C ATOM 1117 O ALA A 69 -4.010 -5.816 -9.629 1.00 0.00 O ATOM 1118 CB ALA A 69 -3.918 -8.732 -11.131 1.00 0.00 C ATOM 0 H ALA A 69 -5.831 -9.650 -9.848 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.460 -8.221 -9.106 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.136 -8.101 -11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.543 -9.750 -11.022 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.782 -8.733 -11.795 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.037 -6.550 -10.272 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.594 -5.210 -10.421 1.00 0.00 C ATOM 1126 C GLU A 70 -6.555 -4.457 -9.095 1.00 0.00 C ATOM 1127 O GLU A 70 -6.134 -3.302 -9.039 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.033 -5.287 -10.934 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.559 -3.967 -11.474 1.00 0.00 C ATOM 1130 CD GLU A 70 -8.349 -3.822 -12.968 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -7.222 -4.090 -13.438 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -9.309 -3.439 -13.669 1.00 0.00 O ATOM 0 H GLU A 70 -6.689 -7.304 -10.488 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.986 -4.668 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.090 -6.040 -11.720 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.681 -5.623 -10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.623 -3.886 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.062 -3.145 -10.960 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.991 -5.122 -8.029 1.00 0.00 N ATOM 1140 CA LYS A 71 -7.001 -4.516 -6.703 1.00 0.00 C ATOM 1141 C LYS A 71 -5.594 -4.100 -6.289 1.00 0.00 C ATOM 1142 O LYS A 71 -5.348 -2.938 -5.968 1.00 0.00 O ATOM 1143 CB LYS A 71 -7.584 -5.492 -5.677 1.00 0.00 C ATOM 1144 CG LYS A 71 -9.021 -5.185 -5.293 1.00 0.00 C ATOM 1145 CD LYS A 71 -9.102 -4.482 -3.945 1.00 0.00 C ATOM 1146 CE LYS A 71 -10.045 -3.290 -3.991 1.00 0.00 C ATOM 1147 NZ LYS A 71 -10.836 -3.159 -2.738 1.00 0.00 N ATOM 0 H LYS A 71 -7.341 -6.079 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.628 -3.625 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.533 -6.503 -6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.965 -5.475 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -9.477 -4.558 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.594 -6.111 -5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.442 -5.187 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.108 -4.149 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.470 -2.378 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.722 -3.396 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.466 -2.335 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.404 -4.018 -2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.191 -3.032 -1.932 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.671 -5.056 -6.307 1.00 0.00 N ATOM 1162 CA ILE A 72 -3.286 -4.789 -5.941 1.00 0.00 C ATOM 1163 C ILE A 72 -2.652 -3.796 -6.909 1.00 0.00 C ATOM 1164 O ILE A 72 -1.787 -3.008 -6.530 1.00 0.00 O ATOM 1165 CB ILE A 72 -2.450 -6.085 -5.920 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -3.108 -7.126 -5.012 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -1.027 -5.798 -5.459 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.410 -8.468 -5.025 1.00 0.00 C ATOM 0 H ILE A 72 -4.858 -6.023 -6.571 1.00 0.00 H new ATOM 0 HA ILE A 72 -3.294 -4.361 -4.938 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.407 -6.485 -6.933 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.127 -6.745 -3.991 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.145 -7.262 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.453 -6.725 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.560 -5.088 -6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.048 -5.376 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.931 -9.156 -4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.414 -8.871 -6.038 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.381 -8.346 -4.687 1.00 0.00 H new ATOM 1180 N TYR A 73 -3.094 -3.842 -8.161 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.578 -2.947 -9.190 1.00 0.00 C ATOM 1182 C TYR A 73 -2.987 -1.503 -8.905 1.00 0.00 C ATOM 1183 O TYR A 73 -2.159 -0.593 -8.946 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.086 -3.385 -10.568 1.00 0.00 C ATOM 1185 CG TYR A 73 -2.905 -2.346 -11.654 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -1.654 -1.811 -11.931 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -3.989 -1.902 -12.401 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -1.487 -0.862 -12.922 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -3.831 -0.953 -13.392 1.00 0.00 C ATOM 1190 CZ TYR A 73 -2.579 -0.437 -13.650 1.00 0.00 C ATOM 1191 OH TYR A 73 -2.417 0.509 -14.637 1.00 0.00 O ATOM 0 H TYR A 73 -3.810 -4.491 -8.488 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.489 -2.999 -9.182 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.565 -4.296 -10.862 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.145 -3.633 -10.491 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.797 -2.142 -11.363 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.971 -2.305 -12.204 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.507 -0.456 -13.125 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.684 -0.617 -13.962 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.283 0.697 -15.055 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.269 -1.302 -8.622 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.788 0.030 -8.332 1.00 0.00 C ATOM 1203 C LYS A 74 -4.226 0.562 -7.017 1.00 0.00 C ATOM 1204 O LYS A 74 -3.802 1.715 -6.935 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.317 0.002 -8.274 1.00 0.00 C ATOM 1206 CG LYS A 74 -6.956 1.372 -8.429 1.00 0.00 C ATOM 1207 CD LYS A 74 -8.434 1.263 -8.771 1.00 0.00 C ATOM 1208 CE LYS A 74 -8.651 1.166 -10.273 1.00 0.00 C ATOM 1209 NZ LYS A 74 -10.022 1.594 -10.663 1.00 0.00 N ATOM 0 H LYS A 74 -4.968 -2.044 -8.587 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.473 0.697 -9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.690 -0.655 -9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.629 -0.430 -7.323 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.836 1.937 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.441 1.928 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.858 0.385 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.964 2.132 -8.381 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.917 1.786 -10.787 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.485 0.139 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.131 1.514 -11.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.722 0.986 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.172 2.582 -10.375 1.00 0.00 H new ATOM 1223 N ILE A 75 -4.227 -0.283 -5.992 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.717 0.104 -4.683 1.00 0.00 C ATOM 1225 C ILE A 75 -2.225 0.414 -4.747 1.00 0.00 C ATOM 1226 O ILE A 75 -1.740 1.328 -4.078 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.960 -1.000 -3.634 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -5.435 -1.402 -3.618 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -3.520 -0.530 -2.255 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -5.662 -2.852 -3.251 1.00 0.00 C ATOM 0 H ILE A 75 -4.575 -1.240 -6.043 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.259 1.001 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.366 -1.873 -3.905 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.968 -0.768 -2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.866 -1.213 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.699 -1.321 -1.527 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.457 -0.288 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.089 0.357 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.731 -3.066 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.157 -3.493 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.262 -3.042 -2.255 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.499 -0.352 -5.555 1.00 0.00 N ATOM 1243 CA GLN A 76 -0.061 -0.158 -5.706 1.00 0.00 C ATOM 1244 C GLN A 76 0.244 1.232 -6.255 1.00 0.00 C ATOM 1245 O GLN A 76 1.259 1.837 -5.911 1.00 0.00 O ATOM 1246 CB GLN A 76 0.525 -1.226 -6.632 1.00 0.00 C ATOM 1247 CG GLN A 76 1.085 -2.430 -5.893 1.00 0.00 C ATOM 1248 CD GLN A 76 2.398 -2.913 -6.477 1.00 0.00 C ATOM 1249 OE1 GLN A 76 3.433 -2.262 -6.332 1.00 0.00 O ATOM 1250 NE2 GLN A 76 2.363 -4.062 -7.142 1.00 0.00 N ATOM 0 H GLN A 76 -1.883 -1.113 -6.115 1.00 0.00 H new ATOM 0 HA GLN A 76 0.399 -0.250 -4.722 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.249 -1.561 -7.322 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.316 -0.779 -7.234 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.231 -2.172 -4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.358 -3.241 -5.924 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.483 -4.569 -7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.216 -4.437 -7.557 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.642 1.733 -7.111 1.00 0.00 N ATOM 1260 CA LYS A 77 -0.468 3.052 -7.708 1.00 0.00 C ATOM 1261 C LYS A 77 -0.836 4.150 -6.717 1.00 0.00 C ATOM 1262 O LYS A 77 -0.274 5.246 -6.751 1.00 0.00 O ATOM 1263 CB LYS A 77 -1.323 3.180 -8.970 1.00 0.00 C ATOM 1264 CG LYS A 77 -0.748 2.444 -10.170 1.00 0.00 C ATOM 1265 CD LYS A 77 -1.297 2.997 -11.477 1.00 0.00 C ATOM 1266 CE LYS A 77 -2.805 2.832 -11.561 1.00 0.00 C ATOM 1267 NZ LYS A 77 -3.417 3.794 -12.520 1.00 0.00 N ATOM 0 H LYS A 77 -1.488 1.245 -7.406 1.00 0.00 H new ATOM 0 HA LYS A 77 0.582 3.167 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.322 2.796 -8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.433 4.235 -9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.339 2.530 -10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.984 1.383 -10.095 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.040 4.053 -11.563 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.826 2.485 -12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.042 1.813 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.242 2.977 -10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.446 3.649 -12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.213 4.767 -12.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.020 3.639 -13.468 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.785 3.851 -5.834 1.00 0.00 N ATOM 1282 CA GLU A 78 -2.228 4.815 -4.832 1.00 0.00 C ATOM 1283 C GLU A 78 -1.110 5.124 -3.843 1.00 0.00 C ATOM 1284 O GLU A 78 -0.979 6.253 -3.371 1.00 0.00 O ATOM 1285 CB GLU A 78 -3.452 4.280 -4.088 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.206 5.347 -3.311 1.00 0.00 C ATOM 1287 CD GLU A 78 -3.714 5.488 -1.884 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -4.124 4.672 -1.032 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -2.919 6.413 -1.618 1.00 0.00 O ATOM 0 H GLU A 78 -2.261 2.950 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.498 5.738 -5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.130 3.818 -4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.135 3.497 -3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.104 6.304 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.268 5.102 -3.302 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.306 4.111 -3.532 1.00 0.00 N ATOM 1297 CA LEU A 79 0.803 4.274 -2.598 1.00 0.00 C ATOM 1298 C LEU A 79 1.768 5.353 -3.080 1.00 0.00 C ATOM 1299 O LEU A 79 2.392 6.045 -2.276 1.00 0.00 O ATOM 1300 CB LEU A 79 1.547 2.950 -2.422 1.00 0.00 C ATOM 1301 CG LEU A 79 2.760 3.007 -1.493 1.00 0.00 C ATOM 1302 CD1 LEU A 79 2.336 3.396 -0.085 1.00 0.00 C ATOM 1303 CD2 LEU A 79 3.486 1.670 -1.482 1.00 0.00 C ATOM 0 H LEU A 79 -0.402 3.170 -3.913 1.00 0.00 H new ATOM 0 HA LEU A 79 0.393 4.583 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.849 2.207 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.875 2.602 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 79 3.445 3.767 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.212 3.431 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.861 4.377 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.631 2.659 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.347 1.729 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.809 0.891 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.824 1.431 -2.490 1.00 0.00 H new ATOM 1315 N GLU A 80 1.883 5.490 -4.396 1.00 0.00 N ATOM 1316 CA GLU A 80 2.772 6.485 -4.986 1.00 0.00 C ATOM 1317 C GLU A 80 2.238 7.895 -4.756 1.00 0.00 C ATOM 1318 O GLU A 80 3.007 8.849 -4.643 1.00 0.00 O ATOM 1319 CB GLU A 80 2.939 6.227 -6.484 1.00 0.00 C ATOM 1320 CG GLU A 80 4.116 5.324 -6.818 1.00 0.00 C ATOM 1321 CD GLU A 80 3.834 4.410 -7.994 1.00 0.00 C ATOM 1322 OE1 GLU A 80 2.685 3.935 -8.115 1.00 0.00 O ATOM 1323 OE2 GLU A 80 4.762 4.168 -8.795 1.00 0.00 O ATOM 0 H GLU A 80 1.372 4.925 -5.075 1.00 0.00 H new ATOM 0 HA GLU A 80 3.744 6.401 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.025 5.777 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.066 7.181 -6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.989 5.938 -7.041 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.365 4.721 -5.945 1.00 0.00 H new ATOM 1330 N GLU A 81 0.917 8.019 -4.689 1.00 0.00 N ATOM 1331 CA GLU A 81 0.280 9.314 -4.473 1.00 0.00 C ATOM 1332 C GLU A 81 0.564 9.832 -3.067 1.00 0.00 C ATOM 1333 O GLU A 81 0.663 11.039 -2.849 1.00 0.00 O ATOM 1334 CB GLU A 81 -1.230 9.206 -4.696 1.00 0.00 C ATOM 1335 CG GLU A 81 -1.652 9.457 -6.134 1.00 0.00 C ATOM 1336 CD GLU A 81 -1.272 8.319 -7.061 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -0.061 8.130 -7.303 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -2.185 7.617 -7.544 1.00 0.00 O ATOM 0 H GLU A 81 0.266 7.239 -4.781 1.00 0.00 H new ATOM 0 HA GLU A 81 0.696 10.021 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.563 8.212 -4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.737 9.921 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.731 9.606 -6.171 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.191 10.379 -6.488 1.00 0.00 H new ATOM 1345 N LYS A 82 0.694 8.912 -2.118 1.00 0.00 N ATOM 1346 CA LYS A 82 0.966 9.276 -0.732 1.00 0.00 C ATOM 1347 C LYS A 82 2.343 9.922 -0.600 1.00 0.00 C ATOM 1348 O LYS A 82 2.547 10.806 0.232 1.00 0.00 O ATOM 1349 CB LYS A 82 0.879 8.043 0.169 1.00 0.00 C ATOM 1350 CG LYS A 82 -0.512 7.797 0.729 1.00 0.00 C ATOM 1351 CD LYS A 82 -0.459 7.364 2.186 1.00 0.00 C ATOM 1352 CE LYS A 82 -1.671 7.861 2.958 1.00 0.00 C ATOM 1353 NZ LYS A 82 -1.533 9.292 3.347 1.00 0.00 N ATOM 0 H LYS A 82 0.615 7.908 -2.283 1.00 0.00 H new ATOM 0 HA LYS A 82 0.213 9.999 -0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 82 1.194 7.166 -0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.580 8.157 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.107 8.706 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.012 7.030 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.411 6.277 2.242 1.00 0.00 H new ATOM 0 HD3 LYS A 82 0.451 7.747 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.566 7.735 2.349 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.806 7.253 3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.239 9.524 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.579 9.458 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.684 9.895 2.513 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.624 3.616 8.537 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.427 2.818 8.776 1.00 0.00 C ATOM 1548 C GLU B 94 -5.711 2.503 7.466 1.00 0.00 C ATOM 1549 O GLU B 94 -4.492 2.332 7.440 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.789 1.519 9.497 1.00 0.00 C ATOM 1551 CG GLU B 94 -5.623 0.891 10.242 1.00 0.00 C ATOM 1552 CD GLU B 94 -5.688 1.134 11.738 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -6.363 0.349 12.438 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -5.065 2.108 12.210 1.00 0.00 O ATOM 0 HA GLU B 94 -5.754 3.400 9.406 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.595 1.718 10.203 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -7.172 0.804 8.769 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -5.611 -0.182 10.052 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -4.688 1.294 9.852 1.00 0.00 H new ATOM 1561 N LEU B 95 -6.475 2.430 6.380 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.909 2.138 5.067 1.00 0.00 C ATOM 1563 C LEU B 95 -4.804 3.130 4.719 1.00 0.00 C ATOM 1564 O LEU B 95 -3.782 2.760 4.142 1.00 0.00 O ATOM 1565 CB LEU B 95 -7.002 2.178 3.997 1.00 0.00 C ATOM 1566 CG LEU B 95 -6.647 1.480 2.682 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -7.890 0.876 2.047 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -5.977 2.456 1.726 1.00 0.00 C ATOM 0 H LEU B 95 -7.486 2.569 6.383 1.00 0.00 H new ATOM 0 HA LEU B 95 -5.478 1.137 5.099 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.903 1.719 4.403 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.243 3.220 3.784 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.946 0.674 2.897 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.619 0.384 1.113 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -8.328 0.146 2.728 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -8.615 1.664 1.845 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.731 1.943 0.796 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.655 3.283 1.516 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.064 2.841 2.180 1.00 0.00 H new ATOM 1580 N SER B 96 -5.017 4.392 5.080 1.00 0.00 N ATOM 1581 CA SER B 96 -4.039 5.439 4.812 1.00 0.00 C ATOM 1582 C SER B 96 -2.893 5.381 5.816 1.00 0.00 C ATOM 1583 O SER B 96 -1.756 5.730 5.497 1.00 0.00 O ATOM 1584 CB SER B 96 -4.707 6.814 4.861 1.00 0.00 C ATOM 1585 OG SER B 96 -3.743 7.852 4.815 1.00 0.00 O ATOM 0 H SER B 96 -5.858 4.713 5.559 1.00 0.00 H new ATOM 0 HA SER B 96 -3.632 5.276 3.814 1.00 0.00 H new ATOM 0 HB2 SER B 96 -5.397 6.917 4.023 1.00 0.00 H new ATOM 0 HB3 SER B 96 -5.298 6.902 5.773 1.00 0.00 H new ATOM 0 HG SER B 96 -4.196 8.721 4.846 1.00 0.00 H new ATOM 1591 N ASP B 97 -3.199 4.938 7.032 1.00 0.00 N ATOM 1592 CA ASP B 97 -2.194 4.834 8.083 1.00 0.00 C ATOM 1593 C ASP B 97 -1.230 3.684 7.805 1.00 0.00 C ATOM 1594 O ASP B 97 -0.059 3.738 8.181 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.866 4.634 9.443 1.00 0.00 C ATOM 1596 CG ASP B 97 -3.137 5.945 10.151 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -2.189 6.514 10.734 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -4.299 6.406 10.126 1.00 0.00 O ATOM 0 H ASP B 97 -4.135 4.646 7.313 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.626 5.764 8.099 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.805 4.097 9.306 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -2.231 4.010 10.071 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.731 2.645 7.145 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.913 1.482 6.818 1.00 0.00 C ATOM 1605 C LEU B 98 0.023 1.785 5.653 1.00 0.00 C ATOM 1606 O LEU B 98 1.163 1.322 5.623 1.00 0.00 O ATOM 1607 CB LEU B 98 -1.805 0.287 6.474 1.00 0.00 C ATOM 1608 CG LEU B 98 -2.534 -0.341 7.663 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -3.794 -1.055 7.200 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.615 -1.302 8.403 1.00 0.00 C ATOM 0 H LEU B 98 -2.698 2.584 6.826 1.00 0.00 H new ATOM 0 HA LEU B 98 -0.308 1.237 7.691 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -2.546 0.605 5.740 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -1.193 -0.479 5.997 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.824 0.455 8.349 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -4.299 -1.496 8.060 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -4.459 -0.341 6.715 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -3.528 -1.841 6.493 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -2.149 -1.740 9.246 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -1.295 -2.094 7.726 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.742 -0.762 8.768 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.466 2.565 4.694 1.00 0.00 N ATOM 1623 CA LEU B 99 0.327 2.931 3.526 1.00 0.00 C ATOM 1624 C LEU B 99 1.411 3.937 3.898 1.00 0.00 C ATOM 1625 O LEU B 99 2.528 3.882 3.382 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.575 3.510 2.433 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.976 2.523 1.336 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -2.258 1.799 1.712 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -1.138 3.244 0.005 1.00 0.00 C ATOM 0 H LEU B 99 -1.408 2.956 4.703 1.00 0.00 H new ATOM 0 HA LEU B 99 0.810 2.030 3.147 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.480 3.900 2.899 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.064 4.355 1.971 1.00 0.00 H new ATOM 0 HG LEU B 99 -0.183 1.782 1.232 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -2.528 1.101 0.919 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -2.107 1.251 2.642 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.060 2.525 1.845 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -1.423 2.527 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -1.912 4.006 0.096 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.195 3.716 -0.270 1.00 0.00 H new ATOM 1641 N ASP B 100 1.073 4.857 4.795 1.00 0.00 N ATOM 1642 CA ASP B 100 2.016 5.879 5.237 1.00 0.00 C ATOM 1643 C ASP B 100 3.261 5.247 5.851 1.00 0.00 C ATOM 1644 O ASP B 100 4.360 5.790 5.747 1.00 0.00 O ATOM 1645 CB ASP B 100 1.350 6.811 6.251 1.00 0.00 C ATOM 1646 CG ASP B 100 2.259 7.949 6.675 1.00 0.00 C ATOM 1647 OD1 ASP B 100 2.829 8.616 5.786 1.00 0.00 O ATOM 1648 OD2 ASP B 100 2.401 8.170 7.896 1.00 0.00 O ATOM 0 H ASP B 100 0.153 4.916 5.231 1.00 0.00 H new ATOM 0 HA ASP B 100 2.320 6.458 4.365 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.437 7.221 5.819 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.057 6.237 7.130 1.00 0.00 H new ATOM 1653 N PHE B 101 3.081 4.096 6.492 1.00 0.00 N ATOM 1654 CA PHE B 101 4.191 3.391 7.123 1.00 0.00 C ATOM 1655 C PHE B 101 5.260 3.031 6.096 1.00 0.00 C ATOM 1656 O PHE B 101 6.456 3.111 6.377 1.00 0.00 O ATOM 1657 CB PHE B 101 3.689 2.126 7.820 1.00 0.00 C ATOM 1658 CG PHE B 101 4.770 1.361 8.529 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.328 1.850 9.701 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.227 0.155 8.026 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.321 1.147 10.356 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.221 -0.553 8.677 1.00 0.00 C ATOM 1663 CZ PHE B 101 6.768 -0.056 9.843 1.00 0.00 C ATOM 0 H PHE B 101 2.178 3.632 6.588 1.00 0.00 H new ATOM 0 HA PHE B 101 4.635 4.054 7.866 1.00 0.00 H new ATOM 0 HB2 PHE B 101 2.917 2.400 8.540 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.220 1.476 7.081 1.00 0.00 H new ATOM 0 HD1 PHE B 101 4.983 2.790 10.106 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.802 -0.238 7.114 1.00 0.00 H new ATOM 0 HE1 PHE B 101 6.748 1.537 11.268 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.569 -1.493 8.274 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.544 -0.607 10.354 1.00 0.00 H new ATOM 1673 N SER B 102 4.820 2.636 4.905 1.00 0.00 N ATOM 1674 CA SER B 102 5.740 2.264 3.837 1.00 0.00 C ATOM 1675 C SER B 102 6.348 3.502 3.186 1.00 0.00 C ATOM 1676 O SER B 102 7.490 3.478 2.729 1.00 0.00 O ATOM 1677 CB SER B 102 5.016 1.422 2.784 1.00 0.00 C ATOM 1678 OG SER B 102 4.052 0.574 3.383 1.00 0.00 O ATOM 0 H SER B 102 3.833 2.566 4.656 1.00 0.00 H new ATOM 0 HA SER B 102 6.546 1.674 4.274 1.00 0.00 H new ATOM 0 HB2 SER B 102 4.529 2.077 2.062 1.00 0.00 H new ATOM 0 HB3 SER B 102 5.740 0.822 2.233 1.00 0.00 H new ATOM 0 HG SER B 102 3.290 0.465 2.776 1.00 0.00 H new ATOM 1684 N ALA B 103 5.576 4.584 3.149 1.00 0.00 N ATOM 1685 CA ALA B 103 6.038 5.832 2.553 1.00 0.00 C ATOM 1686 C ALA B 103 6.945 6.593 3.514 1.00 0.00 C ATOM 1687 O ALA B 103 7.857 7.303 3.092 1.00 0.00 O ATOM 1688 CB ALA B 103 4.852 6.694 2.148 1.00 0.00 C ATOM 0 H ALA B 103 4.628 4.621 3.525 1.00 0.00 H new ATOM 0 HA ALA B 103 6.617 5.590 1.662 1.00 0.00 H new ATOM 0 HB1 ALA B 103 5.212 7.622 1.705 1.00 0.00 H new ATOM 0 HB2 ALA B 103 4.243 6.157 1.421 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.250 6.921 3.028 1.00 0.00 H new ATOM 1694 N MET B 104 6.687 6.442 4.809 1.00 0.00 N ATOM 1695 CA MET B 104 7.479 7.115 5.831 1.00 0.00 C ATOM 1696 C MET B 104 8.847 6.457 5.979 1.00 0.00 C ATOM 1697 O MET B 104 9.880 7.098 5.781 1.00 0.00 O ATOM 1698 CB MET B 104 6.743 7.095 7.172 1.00 0.00 C ATOM 1699 CG MET B 104 5.835 8.295 7.385 1.00 0.00 C ATOM 1700 SD MET B 104 6.597 9.571 8.407 1.00 0.00 S ATOM 1701 CE MET B 104 8.201 9.716 7.624 1.00 0.00 C ATOM 0 H MET B 104 5.935 5.859 5.175 1.00 0.00 H new ATOM 0 HA MET B 104 7.625 8.149 5.520 1.00 0.00 H new ATOM 0 HB2 MET B 104 6.148 6.184 7.237 1.00 0.00 H new ATOM 0 HB3 MET B 104 7.475 7.056 7.978 1.00 0.00 H new ATOM 0 HG2 MET B 104 5.569 8.721 6.417 1.00 0.00 H new ATOM 0 HG3 MET B 104 4.908 7.965 7.854 1.00 0.00 H new ATOM 0 HE1 MET B 104 8.773 10.507 8.110 1.00 0.00 H new ATOM 0 HE2 MET B 104 8.737 8.771 7.715 1.00 0.00 H new ATOM 0 HE3 MET B 104 8.070 9.958 6.569 1.00 0.00 H new