USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=20 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+ -140:sc= 0.823 (180deg=0) USER MOD Set 1.2: B 96 SER OG : rot 180:sc= 0.726 USER MOD Set 2.1: A 46 TYR OH : rot 32:sc= -0.742 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0115) USER MOD Single : A 7 HIS : no HD1:sc= 0.0653 K(o=0.065,f=-0.74) USER MOD Single : A 9 HIS : no HE2:sc= -0.0917 K(o=-0.092,f=-1.5) USER MOD Single : A 11 THR OG1 : rot 147:sc= -0.602 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.29 K(o=-0.29,f=-1) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.368) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0263 USER MOD Single : A 36 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.527) USER MOD Single : A 40 MET CE :methyl -122:sc= -3.54! (180deg=-5.43!) USER MOD Single : A 42 ASN : amide:sc= -1.34 X(o=-1.3,f=-1.4) 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 -132:sc= -0.749 (180deg=-2.03!) USER MOD Single : A 55 TYR OH : rot 82:sc= 1.43 USER MOD Single : A 57 SER OG : rot 170:sc= -1.19 USER MOD Single : A 59 ASN : amide:sc= -0.56 K(o=-0.56,f=-3.4!) USER MOD Single : A 60 SER OG : rot 180:sc= -0.0926 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.469 X(o=-0.47,f=-0.07) 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 :FLIP amide:sc= -0.198 F(o=-0.95,f=-0.2) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -19.307 -23.037 -8.495 1.00 0.00 N ATOM 51 CA LYS A 4 -18.457 -22.594 -9.592 1.00 0.00 C ATOM 52 C LYS A 4 -17.220 -23.470 -9.710 1.00 0.00 C ATOM 53 O LYS A 4 -16.801 -24.089 -8.733 1.00 0.00 O ATOM 54 CB LYS A 4 -17.984 -21.159 -9.346 1.00 0.00 C ATOM 55 CG LYS A 4 -19.056 -20.210 -8.815 1.00 0.00 C ATOM 56 CD LYS A 4 -18.465 -19.175 -7.862 1.00 0.00 C ATOM 57 CE LYS A 4 -18.790 -19.493 -6.411 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.218 -19.222 -6.087 1.00 0.00 N ATOM 0 HA LYS A 4 -19.047 -22.656 -10.507 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -17.156 -21.181 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.593 -20.756 -10.280 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.540 -19.703 -9.650 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.827 -20.782 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.383 -19.137 -7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -18.851 -18.187 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.565 -20.541 -6.210 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.151 -18.899 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.366 -19.321 -5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.463 -18.255 -6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.823 -19.901 -6.592 1.00 0.00 H new ATOM 72 N GLY A 5 -16.589 -23.458 -10.884 1.00 0.00 N ATOM 73 CA GLY A 5 -15.348 -24.194 -11.046 1.00 0.00 C ATOM 74 C GLY A 5 -14.273 -23.422 -10.319 1.00 0.00 C ATOM 75 O GLY A 5 -13.377 -22.836 -10.927 1.00 0.00 O ATOM 0 H GLY A 5 -16.910 -22.959 -11.714 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.442 -25.200 -10.638 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.098 -24.300 -12.102 1.00 0.00 H new ATOM 79 N TRP A 6 -14.447 -23.351 -9.009 1.00 0.00 N ATOM 80 CA TRP A 6 -13.593 -22.570 -8.134 1.00 0.00 C ATOM 81 C TRP A 6 -12.342 -23.292 -7.660 1.00 0.00 C ATOM 82 O TRP A 6 -11.222 -22.883 -7.950 1.00 0.00 O ATOM 83 CB TRP A 6 -14.431 -22.229 -6.905 1.00 0.00 C ATOM 84 CG TRP A 6 -14.475 -20.788 -6.583 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.577 -19.997 -6.542 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.369 -19.972 -6.241 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.220 -18.723 -6.191 1.00 0.00 N ATOM 88 CE2 TRP A 6 -13.862 -18.685 -6.001 1.00 0.00 C ATOM 89 CE3 TRP A 6 -12.004 -20.210 -6.115 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.037 -17.635 -5.641 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.179 -19.173 -5.756 1.00 0.00 C ATOM 92 CH2 TRP A 6 -11.696 -17.891 -5.519 1.00 0.00 C ATOM 0 H TRP A 6 -15.195 -23.841 -8.519 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.248 -21.704 -8.698 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.449 -22.586 -7.063 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -14.033 -22.770 -6.046 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.584 -20.324 -6.754 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -15.858 -17.933 -6.088 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.600 -21.195 -6.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.436 -16.647 -5.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.118 -19.347 -5.655 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.026 -17.092 -5.236 1.00 0.00 H new ATOM 103 N HIS A 7 -12.563 -24.335 -6.885 1.00 0.00 N ATOM 104 CA HIS A 7 -11.480 -25.115 -6.279 1.00 0.00 C ATOM 105 C HIS A 7 -10.559 -25.781 -7.296 1.00 0.00 C ATOM 106 O HIS A 7 -9.507 -26.308 -6.934 1.00 0.00 O ATOM 107 CB HIS A 7 -12.074 -26.188 -5.378 1.00 0.00 C ATOM 108 CG HIS A 7 -12.925 -25.645 -4.273 1.00 0.00 C ATOM 109 ND1 HIS A 7 -14.245 -25.286 -4.445 1.00 0.00 N ATOM 110 CD2 HIS A 7 -12.638 -25.400 -2.972 1.00 0.00 C ATOM 111 CE1 HIS A 7 -14.733 -24.843 -3.300 1.00 0.00 C ATOM 112 NE2 HIS A 7 -13.778 -24.903 -2.390 1.00 0.00 N ATOM 0 H HIS A 7 -13.497 -24.673 -6.652 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.872 -24.409 -5.714 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.672 -26.868 -5.984 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.264 -26.775 -4.945 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.689 -25.565 -2.483 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.741 -24.492 -3.136 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.872 -24.625 -1.413 1.00 0.00 H new ATOM 121 N GLU A 8 -10.973 -25.805 -8.547 1.00 0.00 N ATOM 122 CA GLU A 8 -10.203 -26.466 -9.602 1.00 0.00 C ATOM 123 C GLU A 8 -8.701 -26.172 -9.531 1.00 0.00 C ATOM 124 O GLU A 8 -7.892 -27.098 -9.585 1.00 0.00 O ATOM 125 CB GLU A 8 -10.721 -26.055 -10.981 1.00 0.00 C ATOM 126 CG GLU A 8 -11.254 -24.635 -11.046 1.00 0.00 C ATOM 127 CD GLU A 8 -11.568 -24.194 -12.463 1.00 0.00 C ATOM 128 OE1 GLU A 8 -12.710 -24.420 -12.915 1.00 0.00 O ATOM 129 OE2 GLU A 8 -10.672 -23.623 -13.119 1.00 0.00 O ATOM 0 H GLU A 8 -11.841 -25.375 -8.867 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.339 -27.536 -9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.915 -26.162 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.512 -26.743 -11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.156 -24.561 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.521 -23.955 -10.612 1.00 0.00 H new ATOM 136 N HIS A 9 -8.312 -24.901 -9.440 1.00 0.00 N ATOM 137 CA HIS A 9 -6.885 -24.571 -9.401 1.00 0.00 C ATOM 138 C HIS A 9 -6.524 -23.550 -8.325 1.00 0.00 C ATOM 139 O HIS A 9 -5.624 -22.734 -8.521 1.00 0.00 O ATOM 140 CB HIS A 9 -6.429 -24.064 -10.770 1.00 0.00 C ATOM 141 CG HIS A 9 -4.992 -24.364 -11.070 1.00 0.00 C ATOM 142 ND1 HIS A 9 -4.005 -24.358 -10.107 1.00 0.00 N ATOM 143 CD2 HIS A 9 -4.377 -24.680 -12.234 1.00 0.00 C ATOM 144 CE1 HIS A 9 -2.845 -24.656 -10.666 1.00 0.00 C ATOM 145 NE2 HIS A 9 -3.044 -24.857 -11.955 1.00 0.00 N ATOM 0 H HIS A 9 -8.944 -24.101 -9.393 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.363 -25.492 -9.143 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.054 -24.513 -11.542 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -6.585 -22.986 -10.820 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -4.148 -24.155 -9.118 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.847 -24.775 -13.202 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.896 -24.724 -10.155 1.00 0.00 H new ATOM 154 N VAL A 10 -7.186 -23.616 -7.178 1.00 0.00 N ATOM 155 CA VAL A 10 -6.871 -22.706 -6.076 1.00 0.00 C ATOM 156 C VAL A 10 -6.321 -23.501 -4.903 1.00 0.00 C ATOM 157 O VAL A 10 -5.336 -23.107 -4.277 1.00 0.00 O ATOM 158 CB VAL A 10 -8.081 -21.864 -5.603 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.661 -20.420 -5.374 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.227 -21.936 -6.598 1.00 0.00 C ATOM 0 H VAL A 10 -7.936 -24.280 -6.983 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.129 -22.004 -6.455 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.434 -22.281 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.521 -19.839 -5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.883 -20.384 -4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.278 -20.001 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.061 -21.334 -6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.895 -21.554 -7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.548 -22.972 -6.709 1.00 0.00 H new ATOM 170 N THR A 11 -6.954 -24.638 -4.630 1.00 0.00 N ATOM 171 CA THR A 11 -6.533 -25.527 -3.552 1.00 0.00 C ATOM 172 C THR A 11 -6.307 -24.768 -2.244 1.00 0.00 C ATOM 173 O THR A 11 -6.408 -23.543 -2.194 1.00 0.00 O ATOM 174 CB THR A 11 -5.262 -26.277 -3.959 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.110 -25.495 -3.701 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.233 -26.668 -5.428 1.00 0.00 C ATOM 0 H THR A 11 -7.769 -24.968 -5.147 1.00 0.00 H new ATOM 0 HA THR A 11 -7.336 -26.244 -3.378 1.00 0.00 H new ATOM 0 HB THR A 11 -5.265 -27.187 -3.359 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.365 -26.082 -3.453 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.304 -27.196 -5.646 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.080 -27.318 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.294 -25.771 -6.044 1.00 0.00 H new ATOM 184 N GLN A 12 -6.015 -25.510 -1.182 1.00 0.00 N ATOM 185 CA GLN A 12 -5.788 -24.916 0.133 1.00 0.00 C ATOM 186 C GLN A 12 -4.423 -24.232 0.220 1.00 0.00 C ATOM 187 O GLN A 12 -4.318 -23.098 0.689 1.00 0.00 O ATOM 188 CB GLN A 12 -5.905 -25.982 1.222 1.00 0.00 C ATOM 189 CG GLN A 12 -4.823 -27.048 1.151 1.00 0.00 C ATOM 190 CD GLN A 12 -5.063 -28.189 2.119 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.165 -28.735 2.192 1.00 0.00 O ATOM 192 NE2 GLN A 12 -4.031 -28.557 2.869 1.00 0.00 N ATOM 0 H GLN A 12 -5.929 -26.526 -1.205 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.553 -24.155 0.285 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.863 -25.498 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -6.881 -26.461 1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -4.773 -27.442 0.136 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.856 -26.593 1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.136 -28.077 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.133 -29.320 3.538 1.00 0.00 H new ATOM 201 N ASP A 13 -3.379 -24.934 -0.211 1.00 0.00 N ATOM 202 CA ASP A 13 -2.019 -24.398 -0.156 1.00 0.00 C ATOM 203 C ASP A 13 -1.796 -23.305 -1.198 1.00 0.00 C ATOM 204 O ASP A 13 -1.406 -22.188 -0.862 1.00 0.00 O ATOM 205 CB ASP A 13 -1.002 -25.522 -0.359 1.00 0.00 C ATOM 206 CG ASP A 13 -0.720 -26.285 0.921 1.00 0.00 C ATOM 207 OD1 ASP A 13 -1.486 -27.220 1.236 1.00 0.00 O ATOM 208 OD2 ASP A 13 0.265 -25.946 1.609 1.00 0.00 O ATOM 0 H ASP A 13 -3.446 -25.874 -0.602 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.882 -23.953 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.374 -26.213 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.072 -25.102 -0.741 1.00 0.00 H new ATOM 213 N LEU A 14 -2.033 -23.634 -2.464 1.00 0.00 N ATOM 214 CA LEU A 14 -1.845 -22.677 -3.551 1.00 0.00 C ATOM 215 C LEU A 14 -2.619 -21.387 -3.288 1.00 0.00 C ATOM 216 O LEU A 14 -2.214 -20.310 -3.726 1.00 0.00 O ATOM 217 CB LEU A 14 -2.280 -23.291 -4.883 1.00 0.00 C ATOM 218 CG LEU A 14 -2.206 -22.349 -6.086 1.00 0.00 C ATOM 219 CD1 LEU A 14 -1.870 -23.123 -7.351 1.00 0.00 C ATOM 220 CD2 LEU A 14 -3.517 -21.595 -6.254 1.00 0.00 C ATOM 0 H LEU A 14 -2.355 -24.554 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.784 -22.433 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.657 -24.162 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.305 -23.648 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.412 -21.624 -5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.822 -22.436 -8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.906 -23.617 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.641 -23.871 -7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.446 -20.930 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.328 -22.306 -6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.717 -21.009 -5.357 1.00 0.00 H new ATOM 232 N ARG A 15 -3.731 -21.501 -2.569 1.00 0.00 N ATOM 233 CA ARG A 15 -4.555 -20.341 -2.249 1.00 0.00 C ATOM 234 C ARG A 15 -3.799 -19.376 -1.340 1.00 0.00 C ATOM 235 O ARG A 15 -3.998 -18.163 -1.402 1.00 0.00 O ATOM 236 CB ARG A 15 -5.858 -20.784 -1.579 1.00 0.00 C ATOM 237 CG ARG A 15 -6.722 -19.630 -1.093 1.00 0.00 C ATOM 238 CD ARG A 15 -7.027 -19.745 0.393 1.00 0.00 C ATOM 239 NE ARG A 15 -8.190 -20.589 0.650 1.00 0.00 N ATOM 240 CZ ARG A 15 -8.877 -20.578 1.789 1.00 0.00 C ATOM 241 NH1 ARG A 15 -8.522 -19.767 2.779 1.00 0.00 N ATOM 242 NH2 ARG A 15 -9.924 -21.378 1.941 1.00 0.00 N ATOM 0 H ARG A 15 -4.082 -22.384 -2.197 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.794 -19.824 -3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.433 -21.384 -2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.620 -21.429 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.213 -18.686 -1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.655 -19.611 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.160 -20.156 0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.202 -18.751 0.805 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.494 -21.225 -0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -7.719 -19.148 2.668 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.053 -19.763 3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.203 -22.002 1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.450 -21.369 2.815 1.00 0.00 H new ATOM 256 N SER A 16 -2.931 -19.924 -0.494 1.00 0.00 N ATOM 257 CA SER A 16 -2.146 -19.112 0.429 1.00 0.00 C ATOM 258 C SER A 16 -1.134 -18.255 -0.327 1.00 0.00 C ATOM 259 O SER A 16 -0.801 -17.149 0.099 1.00 0.00 O ATOM 260 CB SER A 16 -1.423 -20.005 1.438 1.00 0.00 C ATOM 261 OG SER A 16 -1.429 -19.423 2.731 1.00 0.00 O ATOM 0 H SER A 16 -2.754 -20.926 -0.429 1.00 0.00 H new ATOM 0 HA SER A 16 -2.828 -18.451 0.963 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.904 -20.982 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.395 -20.167 1.114 1.00 0.00 H new ATOM 0 HG SER A 16 -0.962 -20.014 3.358 1.00 0.00 H new ATOM 267 N HIS A 17 -0.650 -18.774 -1.451 1.00 0.00 N ATOM 268 CA HIS A 17 0.323 -18.056 -2.266 1.00 0.00 C ATOM 269 C HIS A 17 -0.256 -16.739 -2.771 1.00 0.00 C ATOM 270 O HIS A 17 0.471 -15.764 -2.965 1.00 0.00 O ATOM 271 CB HIS A 17 0.765 -18.920 -3.447 1.00 0.00 C ATOM 272 CG HIS A 17 1.538 -20.138 -3.044 1.00 0.00 C ATOM 273 ND1 HIS A 17 1.499 -21.323 -3.748 1.00 0.00 N ATOM 274 CD2 HIS A 17 2.374 -20.351 -2.000 1.00 0.00 C ATOM 275 CE1 HIS A 17 2.277 -22.211 -3.155 1.00 0.00 C ATOM 276 NE2 HIS A 17 2.820 -21.645 -2.093 1.00 0.00 N ATOM 0 H HIS A 17 -0.915 -19.688 -1.818 1.00 0.00 H new ATOM 0 HA HIS A 17 1.189 -17.834 -1.643 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.116 -19.229 -4.010 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.377 -18.317 -4.118 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.640 -19.635 -1.236 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.441 -23.227 -3.483 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.467 -22.097 -1.446 1.00 0.00 H new ATOM 285 N LEU A 18 -1.567 -16.718 -2.984 1.00 0.00 N ATOM 286 CA LEU A 18 -2.243 -15.519 -3.469 1.00 0.00 C ATOM 287 C LEU A 18 -2.462 -14.522 -2.335 1.00 0.00 C ATOM 288 O LEU A 18 -2.462 -13.310 -2.553 1.00 0.00 O ATOM 289 CB LEU A 18 -3.584 -15.887 -4.107 1.00 0.00 C ATOM 290 CG LEU A 18 -3.484 -16.666 -5.419 1.00 0.00 C ATOM 291 CD1 LEU A 18 -3.589 -18.162 -5.163 1.00 0.00 C ATOM 292 CD2 LEU A 18 -4.563 -16.214 -6.393 1.00 0.00 C ATOM 0 H LEU A 18 -2.183 -17.516 -2.829 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.607 -15.052 -4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.158 -16.478 -3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.147 -14.971 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.511 -16.462 -5.865 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.516 -18.699 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.780 -18.476 -4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.547 -18.384 -4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.476 -16.780 -7.321 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.545 -16.387 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.441 -15.151 -6.603 1.00 0.00 H new ATOM 304 N VAL A 19 -2.646 -15.040 -1.125 1.00 0.00 N ATOM 305 CA VAL A 19 -2.864 -14.194 0.042 1.00 0.00 C ATOM 306 C VAL A 19 -1.672 -13.273 0.280 1.00 0.00 C ATOM 307 O VAL A 19 -1.831 -12.134 0.720 1.00 0.00 O ATOM 308 CB VAL A 19 -3.113 -15.036 1.309 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.444 -14.141 2.494 1.00 0.00 C ATOM 310 CG2 VAL A 19 -4.226 -16.045 1.068 1.00 0.00 C ATOM 0 H VAL A 19 -2.648 -16.041 -0.927 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.750 -13.593 -0.162 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.199 -15.583 1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.616 -14.756 3.377 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.612 -13.462 2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.342 -13.563 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.388 -16.631 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.144 -15.519 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.944 -16.710 0.251 1.00 0.00 H new ATOM 320 N HIS A 20 -0.475 -13.773 -0.017 1.00 0.00 N ATOM 321 CA HIS A 20 0.744 -12.994 0.162 1.00 0.00 C ATOM 322 C HIS A 20 0.732 -11.753 -0.726 1.00 0.00 C ATOM 323 O HIS A 20 1.354 -10.741 -0.401 1.00 0.00 O ATOM 324 CB HIS A 20 1.972 -13.850 -0.156 1.00 0.00 C ATOM 325 CG HIS A 20 2.522 -14.571 1.035 1.00 0.00 C ATOM 326 ND1 HIS A 20 1.831 -15.561 1.702 1.00 0.00 N ATOM 327 CD2 HIS A 20 3.707 -14.443 1.679 1.00 0.00 C ATOM 328 CE1 HIS A 20 2.566 -16.010 2.704 1.00 0.00 C ATOM 329 NE2 HIS A 20 3.708 -15.349 2.712 1.00 0.00 N ATOM 0 H HIS A 20 -0.325 -14.713 -0.382 1.00 0.00 H new ATOM 0 HA HIS A 20 0.792 -12.674 1.203 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.708 -14.579 -0.922 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.750 -13.213 -0.576 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.502 -13.757 1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.281 -16.786 3.399 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.468 -15.488 3.377 1.00 0.00 H new ATOM 338 N LYS A 21 0.020 -11.837 -1.845 1.00 0.00 N ATOM 339 CA LYS A 21 -0.073 -10.719 -2.779 1.00 0.00 C ATOM 340 C LYS A 21 -0.599 -9.469 -2.081 1.00 0.00 C ATOM 341 O LYS A 21 -0.073 -8.372 -2.270 1.00 0.00 O ATOM 342 CB LYS A 21 -0.982 -11.084 -3.953 1.00 0.00 C ATOM 343 CG LYS A 21 -0.540 -12.331 -4.701 1.00 0.00 C ATOM 344 CD LYS A 21 -1.246 -12.458 -6.040 1.00 0.00 C ATOM 345 CE LYS A 21 -0.365 -11.980 -7.182 1.00 0.00 C ATOM 346 NZ LYS A 21 -0.598 -10.544 -7.501 1.00 0.00 N ATOM 0 H LYS A 21 -0.501 -12.667 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 21 0.928 -10.508 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.997 -11.233 -3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.016 -10.246 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.538 -12.299 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.747 -13.213 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.527 -13.498 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.168 -11.877 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.682 -12.128 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.559 -12.585 -8.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.226 -10.334 -8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.618 -10.344 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.113 -9.949 -6.799 1.00 0.00 H new ATOM 360 N LEU A 22 -1.639 -9.643 -1.271 1.00 0.00 N ATOM 361 CA LEU A 22 -2.234 -8.528 -0.542 1.00 0.00 C ATOM 362 C LEU A 22 -1.210 -7.883 0.387 1.00 0.00 C ATOM 363 O LEU A 22 -1.143 -6.659 0.499 1.00 0.00 O ATOM 364 CB LEU A 22 -3.443 -9.005 0.264 1.00 0.00 C ATOM 365 CG LEU A 22 -4.721 -9.218 -0.549 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.740 -10.006 0.258 1.00 0.00 C ATOM 367 CD2 LEU A 22 -5.302 -7.880 -0.983 1.00 0.00 C ATOM 0 H LEU A 22 -2.087 -10.544 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.563 -7.783 -1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.184 -9.942 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.647 -8.277 1.049 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.472 -9.792 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.643 -10.148 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.322 -10.978 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.986 -9.458 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.211 -8.048 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.537 -7.283 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.575 -7.350 -1.598 1.00 0.00 H new ATOM 379 N VAL A 23 -0.415 -8.717 1.049 1.00 0.00 N ATOM 380 CA VAL A 23 0.608 -8.232 1.966 1.00 0.00 C ATOM 381 C VAL A 23 1.696 -7.467 1.220 1.00 0.00 C ATOM 382 O VAL A 23 2.316 -6.556 1.767 1.00 0.00 O ATOM 383 CB VAL A 23 1.253 -9.392 2.749 1.00 0.00 C ATOM 384 CG1 VAL A 23 2.205 -8.859 3.810 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.183 -10.270 3.377 1.00 0.00 C ATOM 0 H VAL A 23 -0.460 -9.733 0.967 1.00 0.00 H new ATOM 0 HA VAL A 23 0.114 -7.560 2.668 1.00 0.00 H new ATOM 0 HB VAL A 23 1.829 -10.000 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.650 -9.694 4.352 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.992 -8.275 3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.656 -8.226 4.507 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.656 -11.084 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.421 -9.674 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.455 -10.682 2.595 1.00 0.00 H new ATOM 395 N GLN A 24 1.923 -7.845 -0.035 1.00 0.00 N ATOM 396 CA GLN A 24 2.935 -7.195 -0.859 1.00 0.00 C ATOM 397 C GLN A 24 2.426 -5.862 -1.399 1.00 0.00 C ATOM 398 O GLN A 24 3.212 -4.957 -1.680 1.00 0.00 O ATOM 399 CB GLN A 24 3.340 -8.108 -2.018 1.00 0.00 C ATOM 400 CG GLN A 24 4.781 -7.924 -2.464 1.00 0.00 C ATOM 401 CD GLN A 24 5.355 -9.169 -3.111 1.00 0.00 C ATOM 402 OE1 GLN A 24 6.016 -9.975 -2.456 1.00 0.00 O ATOM 403 NE2 GLN A 24 5.107 -9.331 -4.405 1.00 0.00 N ATOM 0 H GLN A 24 1.419 -8.598 -0.503 1.00 0.00 H new ATOM 0 HA GLN A 24 3.807 -7.002 -0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.190 -9.146 -1.721 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.680 -7.920 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.836 -7.094 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.392 -7.652 -1.603 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.554 -8.638 -4.909 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.469 -10.149 -4.895 1.00 0.00 H new ATOM 412 N ALA A 25 1.110 -5.747 -1.544 1.00 0.00 N ATOM 413 CA ALA A 25 0.499 -4.524 -2.052 1.00 0.00 C ATOM 414 C ALA A 25 0.882 -3.321 -1.197 1.00 0.00 C ATOM 415 O ALA A 25 1.504 -2.376 -1.681 1.00 0.00 O ATOM 416 CB ALA A 25 -1.014 -4.675 -2.107 1.00 0.00 C ATOM 0 H ALA A 25 0.446 -6.487 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 25 0.874 -4.352 -3.061 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.458 -3.755 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.273 -5.503 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.396 -4.875 -1.106 1.00 0.00 H new ATOM 422 N ILE A 26 0.504 -3.360 0.076 1.00 0.00 N ATOM 423 CA ILE A 26 0.807 -2.273 0.998 1.00 0.00 C ATOM 424 C ILE A 26 2.308 -2.158 1.238 1.00 0.00 C ATOM 425 O ILE A 26 2.827 -1.068 1.482 1.00 0.00 O ATOM 426 CB ILE A 26 0.092 -2.466 2.350 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.402 -2.719 2.131 1.00 0.00 C ATOM 428 CG2 ILE A 26 0.303 -1.251 3.242 1.00 0.00 C ATOM 429 CD1 ILE A 26 -1.786 -4.181 2.213 1.00 0.00 C ATOM 0 H ILE A 26 -0.013 -4.134 0.493 1.00 0.00 H new ATOM 0 HA ILE A 26 0.446 -1.355 0.534 1.00 0.00 H new ATOM 0 HB ILE A 26 0.520 -3.336 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.970 -2.160 2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.689 -2.331 1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.208 -1.404 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.369 -1.112 3.422 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.100 -0.365 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.858 -4.285 2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.245 -4.742 1.451 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.531 -4.569 3.199 1.00 0.00 H new ATOM 441 N PHE A 27 3.003 -3.288 1.168 1.00 0.00 N ATOM 442 CA PHE A 27 4.447 -3.312 1.377 1.00 0.00 C ATOM 443 C PHE A 27 5.120 -4.290 0.418 1.00 0.00 C ATOM 444 O PHE A 27 5.401 -5.432 0.778 1.00 0.00 O ATOM 445 CB PHE A 27 4.767 -3.695 2.823 1.00 0.00 C ATOM 446 CG PHE A 27 5.972 -2.989 3.377 1.00 0.00 C ATOM 447 CD1 PHE A 27 7.145 -2.912 2.643 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.930 -2.403 4.631 1.00 0.00 C ATOM 449 CE1 PHE A 27 8.254 -2.263 3.150 1.00 0.00 C ATOM 450 CE2 PHE A 27 7.037 -1.752 5.143 1.00 0.00 C ATOM 451 CZ PHE A 27 8.200 -1.682 4.402 1.00 0.00 C ATOM 0 H PHE A 27 2.591 -4.199 0.968 1.00 0.00 H new ATOM 0 HA PHE A 27 4.835 -2.313 1.179 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.904 -3.470 3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.929 -4.771 2.878 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.193 -3.365 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.023 -2.455 5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.162 -2.210 2.568 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.992 -1.298 6.122 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.066 -1.174 4.801 1.00 0.00 H new ATOM 461 N PRO A 28 5.389 -3.850 -0.824 1.00 0.00 N ATOM 462 CA PRO A 28 6.031 -4.693 -1.840 1.00 0.00 C ATOM 463 C PRO A 28 7.385 -5.225 -1.381 1.00 0.00 C ATOM 464 O PRO A 28 7.575 -6.433 -1.243 1.00 0.00 O ATOM 465 CB PRO A 28 6.205 -3.752 -3.036 1.00 0.00 C ATOM 466 CG PRO A 28 5.203 -2.671 -2.826 1.00 0.00 C ATOM 467 CD PRO A 28 5.085 -2.503 -1.338 1.00 0.00 C ATOM 0 HA PRO A 28 5.436 -5.579 -2.064 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.217 -3.349 -3.077 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.031 -4.274 -3.977 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.524 -1.743 -3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.242 -2.938 -3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.786 -1.759 -0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.087 -2.176 -1.047 1.00 0.00 H new ATOM 475 N THR A 29 8.324 -4.314 -1.146 1.00 0.00 N ATOM 476 CA THR A 29 9.662 -4.691 -0.704 1.00 0.00 C ATOM 477 C THR A 29 9.625 -5.290 0.700 1.00 0.00 C ATOM 478 O THR A 29 8.777 -4.928 1.516 1.00 0.00 O ATOM 479 CB THR A 29 10.591 -3.476 -0.729 1.00 0.00 C ATOM 480 OG1 THR A 29 9.929 -2.328 -0.227 1.00 0.00 O ATOM 481 CG2 THR A 29 11.103 -3.143 -2.114 1.00 0.00 C ATOM 0 H THR A 29 8.183 -3.310 -1.254 1.00 0.00 H new ATOM 0 HA THR A 29 10.044 -5.446 -1.390 1.00 0.00 H new ATOM 0 HB THR A 29 11.440 -3.748 -0.101 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.540 -1.562 -0.249 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.756 -2.272 -2.061 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.662 -3.991 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.261 -2.926 -2.771 1.00 0.00 H new ATOM 489 N PRO A 30 10.550 -6.217 1.001 1.00 0.00 N ATOM 490 CA PRO A 30 10.619 -6.865 2.315 1.00 0.00 C ATOM 491 C PRO A 30 11.124 -5.919 3.400 1.00 0.00 C ATOM 492 O PRO A 30 11.955 -5.049 3.141 1.00 0.00 O ATOM 493 CB PRO A 30 11.613 -8.006 2.094 1.00 0.00 C ATOM 494 CG PRO A 30 12.480 -7.540 0.977 1.00 0.00 C ATOM 495 CD PRO A 30 11.599 -6.706 0.087 1.00 0.00 C ATOM 0 HA PRO A 30 9.640 -7.196 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.197 -8.202 2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.101 -8.933 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.320 -6.955 1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.899 -8.385 0.430 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.151 -5.883 -0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.179 -7.296 -0.728 1.00 0.00 H new ATOM 503 N ASP A 31 10.618 -6.098 4.615 1.00 0.00 N ATOM 504 CA ASP A 31 11.019 -5.260 5.740 1.00 0.00 C ATOM 505 C ASP A 31 10.826 -5.999 7.063 1.00 0.00 C ATOM 506 O ASP A 31 9.793 -5.856 7.716 1.00 0.00 O ATOM 507 CB ASP A 31 10.212 -3.961 5.746 1.00 0.00 C ATOM 508 CG ASP A 31 10.923 -2.844 6.486 1.00 0.00 C ATOM 509 OD1 ASP A 31 11.744 -2.145 5.858 1.00 0.00 O ATOM 510 OD2 ASP A 31 10.657 -2.670 7.695 1.00 0.00 O ATOM 0 H ASP A 31 9.930 -6.815 4.846 1.00 0.00 H new ATOM 0 HA ASP A 31 12.077 -5.022 5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.022 -3.650 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.242 -4.141 6.210 1.00 0.00 H new ATOM 515 N PRO A 32 11.824 -6.798 7.480 1.00 0.00 N ATOM 516 CA PRO A 32 11.757 -7.558 8.733 1.00 0.00 C ATOM 517 C PRO A 32 11.587 -6.653 9.950 1.00 0.00 C ATOM 518 O PRO A 32 11.170 -7.106 11.016 1.00 0.00 O ATOM 519 CB PRO A 32 13.105 -8.290 8.793 1.00 0.00 C ATOM 520 CG PRO A 32 13.992 -7.558 7.845 1.00 0.00 C ATOM 521 CD PRO A 32 13.093 -7.025 6.768 1.00 0.00 C ATOM 0 HA PRO A 32 10.898 -8.229 8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.514 -8.279 9.803 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.998 -9.336 8.504 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.519 -6.748 8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.750 -8.221 7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.484 -6.104 6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.976 -7.737 5.951 1.00 0.00 H new ATOM 529 N ALA A 33 11.905 -5.373 9.785 1.00 0.00 N ATOM 530 CA ALA A 33 11.779 -4.410 10.870 1.00 0.00 C ATOM 531 C ALA A 33 10.328 -3.978 11.042 1.00 0.00 C ATOM 532 O ALA A 33 9.903 -3.614 12.139 1.00 0.00 O ATOM 533 CB ALA A 33 12.666 -3.201 10.611 1.00 0.00 C ATOM 0 H ALA A 33 12.252 -4.980 8.910 1.00 0.00 H new ATOM 0 HA ALA A 33 12.104 -4.889 11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.561 -2.490 11.431 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.705 -3.521 10.539 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.368 -2.724 9.677 1.00 0.00 H new ATOM 539 N ALA A 34 9.571 -4.025 9.950 1.00 0.00 N ATOM 540 CA ALA A 34 8.167 -3.643 9.980 1.00 0.00 C ATOM 541 C ALA A 34 7.331 -4.689 10.711 1.00 0.00 C ATOM 542 O ALA A 34 6.273 -4.380 11.259 1.00 0.00 O ATOM 543 CB ALA A 34 7.646 -3.440 8.565 1.00 0.00 C ATOM 0 H ALA A 34 9.908 -4.324 9.035 1.00 0.00 H new ATOM 0 HA ALA A 34 8.081 -2.703 10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.595 -3.155 8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.219 -2.652 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.751 -4.368 8.002 1.00 0.00 H new ATOM 549 N LEU A 35 7.814 -5.928 10.714 1.00 0.00 N ATOM 550 CA LEU A 35 7.114 -7.023 11.378 1.00 0.00 C ATOM 551 C LEU A 35 6.860 -6.698 12.847 1.00 0.00 C ATOM 552 O LEU A 35 5.825 -7.063 13.403 1.00 0.00 O ATOM 553 CB LEU A 35 7.928 -8.316 11.264 1.00 0.00 C ATOM 554 CG LEU A 35 7.849 -9.019 9.907 1.00 0.00 C ATOM 555 CD1 LEU A 35 6.498 -9.696 9.734 1.00 0.00 C ATOM 556 CD2 LEU A 35 8.101 -8.034 8.777 1.00 0.00 C ATOM 0 H LEU A 35 8.688 -6.199 10.264 1.00 0.00 H new ATOM 0 HA LEU A 35 6.152 -7.159 10.884 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.973 -8.089 11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.589 -9.009 12.034 1.00 0.00 H new ATOM 0 HG LEU A 35 8.624 -9.784 9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.460 -10.191 8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.357 -10.435 10.523 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.707 -8.949 9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.040 -8.554 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.351 -7.244 8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.093 -7.597 8.890 1.00 0.00 H new ATOM 568 N LYS A 36 7.812 -6.008 13.467 1.00 0.00 N ATOM 569 CA LYS A 36 7.692 -5.633 14.871 1.00 0.00 C ATOM 570 C LYS A 36 6.869 -4.357 15.026 1.00 0.00 C ATOM 571 O LYS A 36 6.203 -4.155 16.041 1.00 0.00 O ATOM 572 CB LYS A 36 9.078 -5.437 15.489 1.00 0.00 C ATOM 573 CG LYS A 36 9.976 -6.657 15.365 1.00 0.00 C ATOM 574 CD LYS A 36 11.435 -6.260 15.206 1.00 0.00 C ATOM 575 CE LYS A 36 12.220 -7.316 14.444 1.00 0.00 C ATOM 576 NZ LYS A 36 13.368 -6.727 13.703 1.00 0.00 N ATOM 0 H LYS A 36 8.674 -5.697 13.019 1.00 0.00 H new ATOM 0 HA LYS A 36 7.179 -6.441 15.394 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.564 -4.588 15.009 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.964 -5.185 16.543 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.863 -7.285 16.249 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.665 -7.254 14.508 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.499 -5.308 14.680 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.882 -6.112 16.189 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.586 -8.070 15.141 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.558 -7.825 13.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.259 -6.916 12.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.395 -5.700 13.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.255 -7.153 14.041 1.00 0.00 H new ATOM 590 N ASP A 37 6.921 -3.498 14.011 1.00 0.00 N ATOM 591 CA ASP A 37 6.182 -2.240 14.035 1.00 0.00 C ATOM 592 C ASP A 37 4.690 -2.486 14.245 1.00 0.00 C ATOM 593 O ASP A 37 4.132 -3.454 13.728 1.00 0.00 O ATOM 594 CB ASP A 37 6.405 -1.470 12.732 1.00 0.00 C ATOM 595 CG ASP A 37 7.638 -0.591 12.783 1.00 0.00 C ATOM 596 OD1 ASP A 37 8.727 -1.115 13.106 1.00 0.00 O ATOM 597 OD2 ASP A 37 7.518 0.619 12.502 1.00 0.00 O ATOM 0 H ASP A 37 7.467 -3.650 13.163 1.00 0.00 H new ATOM 0 HA ASP A 37 6.553 -1.646 14.870 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.500 -2.177 11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.531 -0.853 12.524 1.00 0.00 H new ATOM 602 N ARG A 38 4.052 -1.602 15.005 1.00 0.00 N ATOM 603 CA ARG A 38 2.627 -1.722 15.285 1.00 0.00 C ATOM 604 C ARG A 38 1.810 -1.690 13.996 1.00 0.00 C ATOM 605 O ARG A 38 0.710 -2.239 13.933 1.00 0.00 O ATOM 606 CB ARG A 38 2.172 -0.596 16.216 1.00 0.00 C ATOM 607 CG ARG A 38 2.415 -0.890 17.687 1.00 0.00 C ATOM 608 CD ARG A 38 3.834 -0.534 18.100 1.00 0.00 C ATOM 609 NE ARG A 38 4.762 -1.640 17.875 1.00 0.00 N ATOM 610 CZ ARG A 38 5.952 -1.742 18.465 1.00 0.00 C ATOM 611 NH1 ARG A 38 6.361 -0.807 19.314 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.733 -2.781 18.205 1.00 0.00 N ATOM 0 H ARG A 38 4.500 -0.794 15.438 1.00 0.00 H new ATOM 0 HA ARG A 38 2.461 -2.682 15.775 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.695 0.322 15.946 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.108 -0.414 16.061 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.706 -0.326 18.294 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.232 -1.947 17.883 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.167 0.339 17.539 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.847 -0.259 19.155 1.00 0.00 H new ATOM 0 HE ARG A 38 4.482 -2.377 17.228 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.763 -0.006 19.517 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.273 -0.890 19.763 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.423 -3.502 17.553 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.644 -2.860 18.656 1.00 0.00 H new ATOM 626 N ARG A 39 2.355 -1.045 12.968 1.00 0.00 N ATOM 627 CA ARG A 39 1.677 -0.942 11.680 1.00 0.00 C ATOM 628 C ARG A 39 1.285 -2.321 11.157 1.00 0.00 C ATOM 629 O ARG A 39 0.148 -2.536 10.736 1.00 0.00 O ATOM 630 CB ARG A 39 2.576 -0.236 10.663 1.00 0.00 C ATOM 631 CG ARG A 39 1.854 0.175 9.388 1.00 0.00 C ATOM 632 CD ARG A 39 1.600 -1.015 8.474 1.00 0.00 C ATOM 633 NE ARG A 39 2.742 -1.927 8.420 1.00 0.00 N ATOM 634 CZ ARG A 39 3.813 -1.730 7.656 1.00 0.00 C ATOM 635 NH1 ARG A 39 3.894 -0.661 6.873 1.00 0.00 N ATOM 636 NH2 ARG A 39 4.808 -2.606 7.675 1.00 0.00 N ATOM 0 H ARG A 39 3.265 -0.586 13.002 1.00 0.00 H new ATOM 0 HA ARG A 39 0.769 -0.356 11.822 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.008 0.651 11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.404 -0.896 10.404 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.905 0.646 9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.447 0.920 8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.721 -1.557 8.823 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.376 -0.657 7.469 1.00 0.00 H new ATOM 0 HE ARG A 39 2.716 -2.764 9.003 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.132 0.016 6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.719 -0.517 6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.751 -3.429 8.275 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.630 -2.457 7.090 1.00 0.00 H new ATOM 650 N MET A 40 2.233 -3.251 11.189 1.00 0.00 N ATOM 651 CA MET A 40 1.989 -4.610 10.718 1.00 0.00 C ATOM 652 C MET A 40 0.822 -5.247 11.463 1.00 0.00 C ATOM 653 O MET A 40 0.115 -6.097 10.921 1.00 0.00 O ATOM 654 CB MET A 40 3.246 -5.464 10.887 1.00 0.00 C ATOM 655 CG MET A 40 3.422 -6.511 9.798 1.00 0.00 C ATOM 656 SD MET A 40 4.700 -6.068 8.604 1.00 0.00 S ATOM 657 CE MET A 40 3.722 -5.877 7.116 1.00 0.00 C ATOM 0 H MET A 40 3.178 -3.089 11.536 1.00 0.00 H new ATOM 0 HA MET A 40 1.732 -4.558 9.660 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.119 -4.812 10.897 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.209 -5.962 11.856 1.00 0.00 H new ATOM 0 HG2 MET A 40 3.675 -7.467 10.257 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.475 -6.649 9.276 1.00 0.00 H new ATOM 0 HE1 MET A 40 4.092 -6.556 6.348 1.00 0.00 H new ATOM 0 HE2 MET A 40 2.679 -6.108 7.334 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.799 -4.850 6.759 1.00 0.00 H new ATOM 667 N GLU A 41 0.619 -4.829 12.710 1.00 0.00 N ATOM 668 CA GLU A 41 -0.468 -5.359 13.525 1.00 0.00 C ATOM 669 C GLU A 41 -1.807 -5.180 12.816 1.00 0.00 C ATOM 670 O GLU A 41 -2.645 -6.082 12.810 1.00 0.00 O ATOM 671 CB GLU A 41 -0.501 -4.663 14.886 1.00 0.00 C ATOM 672 CG GLU A 41 -1.284 -5.426 15.942 1.00 0.00 C ATOM 673 CD GLU A 41 -2.125 -4.516 16.815 1.00 0.00 C ATOM 674 OE1 GLU A 41 -1.543 -3.771 17.630 1.00 0.00 O ATOM 675 OE2 GLU A 41 -3.367 -4.549 16.684 1.00 0.00 O ATOM 0 H GLU A 41 1.192 -4.126 13.176 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.293 -6.424 13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.521 -4.520 15.236 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.939 -3.672 14.767 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.931 -6.154 15.453 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.590 -5.986 16.569 1.00 0.00 H new ATOM 682 N ASN A 42 -1.996 -4.010 12.215 1.00 0.00 N ATOM 683 CA ASN A 42 -3.228 -3.709 11.494 1.00 0.00 C ATOM 684 C ASN A 42 -3.209 -4.337 10.105 1.00 0.00 C ATOM 685 O ASN A 42 -4.249 -4.727 9.575 1.00 0.00 O ATOM 686 CB ASN A 42 -3.421 -2.196 11.383 1.00 0.00 C ATOM 687 CG ASN A 42 -3.253 -1.490 12.713 1.00 0.00 C ATOM 688 OD1 ASN A 42 -3.706 -1.977 13.749 1.00 0.00 O ATOM 689 ND2 ASN A 42 -2.598 -0.335 12.693 1.00 0.00 N ATOM 0 H ASN A 42 -1.311 -3.254 12.213 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.062 -4.133 12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.703 -1.793 10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.415 -1.988 10.988 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.454 0.185 13.559 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.239 0.033 11.812 1.00 0.00 H new ATOM 696 N LEU A 43 -2.019 -4.430 9.518 1.00 0.00 N ATOM 697 CA LEU A 43 -1.866 -5.010 8.189 1.00 0.00 C ATOM 698 C LEU A 43 -2.337 -6.461 8.170 1.00 0.00 C ATOM 699 O LEU A 43 -3.047 -6.882 7.257 1.00 0.00 O ATOM 700 CB LEU A 43 -0.405 -4.925 7.738 1.00 0.00 C ATOM 701 CG LEU A 43 -0.188 -4.287 6.365 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.247 -3.804 6.222 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.534 -5.273 5.260 1.00 0.00 C ATOM 0 H LEU A 43 -1.148 -4.111 9.942 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.485 -4.440 7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.156 -4.355 8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.015 -5.931 7.725 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.850 -3.425 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.383 -3.353 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.460 -3.064 6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.928 -4.648 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.374 -4.803 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.102 -6.154 5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.579 -5.570 5.351 1.00 0.00 H new ATOM 715 N VAL A 44 -1.938 -7.220 9.185 1.00 0.00 N ATOM 716 CA VAL A 44 -2.321 -8.624 9.285 1.00 0.00 C ATOM 717 C VAL A 44 -3.837 -8.774 9.352 1.00 0.00 C ATOM 718 O VAL A 44 -4.444 -9.426 8.503 1.00 0.00 O ATOM 719 CB VAL A 44 -1.693 -9.292 10.524 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.982 -10.786 10.532 1.00 0.00 C ATOM 721 CG2 VAL A 44 -0.195 -9.031 10.573 1.00 0.00 C ATOM 0 H VAL A 44 -1.350 -6.887 9.949 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.948 -9.119 8.389 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.143 -8.854 11.415 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.530 -11.239 11.414 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.060 -10.948 10.552 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.563 -11.242 9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.229 -9.511 11.455 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.275 -9.438 9.677 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.014 -7.957 10.622 1.00 0.00 H new ATOM 731 N ALA A 45 -4.443 -8.166 10.367 1.00 0.00 N ATOM 732 CA ALA A 45 -5.888 -8.231 10.545 1.00 0.00 C ATOM 733 C ALA A 45 -6.615 -7.667 9.328 1.00 0.00 C ATOM 734 O ALA A 45 -7.708 -8.114 8.984 1.00 0.00 O ATOM 735 CB ALA A 45 -6.299 -7.481 11.802 1.00 0.00 C ATOM 0 H ALA A 45 -3.955 -7.623 11.079 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.170 -9.278 10.652 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.381 -7.538 11.922 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.813 -7.930 12.669 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.998 -6.437 11.718 1.00 0.00 H new ATOM 741 N TYR A 46 -5.998 -6.683 8.682 1.00 0.00 N ATOM 742 CA TYR A 46 -6.585 -6.057 7.502 1.00 0.00 C ATOM 743 C TYR A 46 -6.570 -7.016 6.316 1.00 0.00 C ATOM 744 O TYR A 46 -7.604 -7.271 5.699 1.00 0.00 O ATOM 745 CB TYR A 46 -5.824 -4.777 7.151 1.00 0.00 C ATOM 746 CG TYR A 46 -6.354 -4.073 5.921 1.00 0.00 C ATOM 747 CD1 TYR A 46 -7.390 -3.154 6.015 1.00 0.00 C ATOM 748 CD2 TYR A 46 -5.816 -4.329 4.666 1.00 0.00 C ATOM 749 CE1 TYR A 46 -7.876 -2.509 4.893 1.00 0.00 C ATOM 750 CE2 TYR A 46 -6.296 -3.689 3.540 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.326 -2.780 3.658 1.00 0.00 C ATOM 752 OH TYR A 46 -7.807 -2.139 2.539 1.00 0.00 O ATOM 0 H TYR A 46 -5.092 -6.302 8.955 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.621 -5.805 7.728 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.870 -4.093 7.999 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.773 -5.021 6.995 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.824 -2.939 6.981 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.009 -5.040 4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.682 -1.796 4.983 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.867 -3.900 2.572 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.114 -1.241 2.783 1.00 0.00 H new ATOM 762 N ALA A 47 -5.393 -7.543 6.002 1.00 0.00 N ATOM 763 CA ALA A 47 -5.245 -8.474 4.890 1.00 0.00 C ATOM 764 C ALA A 47 -6.049 -9.747 5.127 1.00 0.00 C ATOM 765 O ALA A 47 -6.482 -10.404 4.181 1.00 0.00 O ATOM 766 CB ALA A 47 -3.776 -8.808 4.676 1.00 0.00 C ATOM 0 H ALA A 47 -4.527 -7.342 6.502 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.633 -7.994 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.679 -9.504 3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.224 -7.895 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.371 -9.265 5.579 1.00 0.00 H new ATOM 772 N LYS A 48 -6.243 -10.093 6.397 1.00 0.00 N ATOM 773 CA LYS A 48 -6.994 -11.291 6.757 1.00 0.00 C ATOM 774 C LYS A 48 -8.483 -11.113 6.473 1.00 0.00 C ATOM 775 O LYS A 48 -9.166 -12.059 6.079 1.00 0.00 O ATOM 776 CB LYS A 48 -6.782 -11.623 8.235 1.00 0.00 C ATOM 777 CG LYS A 48 -5.544 -12.465 8.497 1.00 0.00 C ATOM 778 CD LYS A 48 -5.351 -12.724 9.983 1.00 0.00 C ATOM 779 CE LYS A 48 -4.230 -13.718 10.234 1.00 0.00 C ATOM 780 NZ LYS A 48 -4.265 -14.256 11.622 1.00 0.00 N ATOM 0 H LYS A 48 -5.891 -9.561 7.193 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.625 -12.115 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.706 -10.694 8.800 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.658 -12.153 8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.630 -13.415 7.969 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.666 -11.957 8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.127 -11.786 10.491 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.279 -13.105 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.309 -14.541 9.524 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.269 -13.234 10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.484 -14.930 11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.164 -13.474 12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.171 -14.740 11.784 1.00 0.00 H new ATOM 794 N LYS A 49 -8.983 -9.899 6.679 1.00 0.00 N ATOM 795 CA LYS A 49 -10.392 -9.606 6.445 1.00 0.00 C ATOM 796 C LYS A 49 -10.665 -9.365 4.963 1.00 0.00 C ATOM 797 O LYS A 49 -11.703 -9.770 4.439 1.00 0.00 O ATOM 798 CB LYS A 49 -10.829 -8.389 7.264 1.00 0.00 C ATOM 799 CG LYS A 49 -10.020 -7.135 6.972 1.00 0.00 C ATOM 800 CD LYS A 49 -10.688 -5.897 7.548 1.00 0.00 C ATOM 801 CE LYS A 49 -9.890 -4.640 7.239 1.00 0.00 C ATOM 802 NZ LYS A 49 -10.775 -3.474 6.967 1.00 0.00 N ATOM 0 H LYS A 49 -8.435 -9.104 7.007 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.971 -10.473 6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.881 -8.187 7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.745 -8.626 8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.020 -7.239 7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.902 -7.019 5.895 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.694 -5.801 7.139 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.792 -6.007 8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.235 -4.410 8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -9.250 -4.819 6.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.193 -2.637 6.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -11.383 -3.683 6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -11.368 -3.286 7.800 1.00 0.00 H new ATOM 816 N VAL A 50 -9.729 -8.700 4.292 1.00 0.00 N ATOM 817 CA VAL A 50 -9.874 -8.403 2.872 1.00 0.00 C ATOM 818 C VAL A 50 -9.624 -9.639 2.017 1.00 0.00 C ATOM 819 O VAL A 50 -10.378 -9.918 1.085 1.00 0.00 O ATOM 820 CB VAL A 50 -8.914 -7.282 2.427 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.213 -6.859 0.997 1.00 0.00 C ATOM 822 CG2 VAL A 50 -9.003 -6.093 3.375 1.00 0.00 C ATOM 0 H VAL A 50 -8.863 -8.357 4.709 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.902 -8.069 2.728 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.895 -7.667 2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.525 -6.067 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.091 -7.714 0.332 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.238 -6.493 0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.318 -5.312 3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.022 -5.705 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.733 -6.410 4.382 1.00 0.00 H new ATOM 832 N GLU A 51 -8.566 -10.384 2.334 1.00 0.00 N ATOM 833 CA GLU A 51 -8.237 -11.593 1.583 1.00 0.00 C ATOM 834 C GLU A 51 -9.471 -12.473 1.428 1.00 0.00 C ATOM 835 O GLU A 51 -9.744 -12.994 0.347 1.00 0.00 O ATOM 836 CB GLU A 51 -7.114 -12.371 2.274 1.00 0.00 C ATOM 837 CG GLU A 51 -7.491 -12.892 3.650 1.00 0.00 C ATOM 838 CD GLU A 51 -8.173 -14.245 3.596 1.00 0.00 C ATOM 839 OE1 GLU A 51 -7.937 -14.990 2.622 1.00 0.00 O ATOM 840 OE2 GLU A 51 -8.943 -14.559 4.528 1.00 0.00 O ATOM 0 H GLU A 51 -7.927 -10.173 3.100 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.891 -11.297 0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.825 -13.212 1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.240 -11.726 2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.594 -12.966 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.152 -12.175 4.137 1.00 0.00 H new ATOM 847 N GLY A 52 -10.230 -12.611 2.511 1.00 0.00 N ATOM 848 CA GLY A 52 -11.442 -13.402 2.460 1.00 0.00 C ATOM 849 C GLY A 52 -12.457 -12.775 1.531 1.00 0.00 C ATOM 850 O GLY A 52 -13.232 -13.471 0.874 1.00 0.00 O ATOM 0 H GLY A 52 -10.027 -12.191 3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.208 -14.411 2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.865 -13.491 3.461 1.00 0.00 H new ATOM 854 N ASP A 53 -12.434 -11.446 1.468 1.00 0.00 N ATOM 855 CA ASP A 53 -13.337 -10.700 0.605 1.00 0.00 C ATOM 856 C ASP A 53 -12.843 -10.738 -0.838 1.00 0.00 C ATOM 857 O ASP A 53 -13.630 -10.651 -1.780 1.00 0.00 O ATOM 858 CB ASP A 53 -13.449 -9.250 1.080 1.00 0.00 C ATOM 859 CG ASP A 53 -14.677 -8.553 0.527 1.00 0.00 C ATOM 860 OD1 ASP A 53 -15.084 -8.879 -0.608 1.00 0.00 O ATOM 861 OD2 ASP A 53 -15.232 -7.681 1.229 1.00 0.00 O ATOM 0 H ASP A 53 -11.795 -10.864 2.009 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.322 -11.164 0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.483 -9.229 2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -12.557 -8.702 0.778 1.00 0.00 H new ATOM 866 N MET A 54 -11.528 -10.870 -0.999 1.00 0.00 N ATOM 867 CA MET A 54 -10.914 -10.922 -2.319 1.00 0.00 C ATOM 868 C MET A 54 -11.221 -12.246 -3.012 1.00 0.00 C ATOM 869 O MET A 54 -11.586 -12.274 -4.187 1.00 0.00 O ATOM 870 CB MET A 54 -9.400 -10.733 -2.208 1.00 0.00 C ATOM 871 CG MET A 54 -8.975 -9.277 -2.105 1.00 0.00 C ATOM 872 SD MET A 54 -9.446 -8.313 -3.553 1.00 0.00 S ATOM 873 CE MET A 54 -10.967 -7.560 -2.979 1.00 0.00 C ATOM 0 H MET A 54 -10.867 -10.943 -0.226 1.00 0.00 H new ATOM 0 HA MET A 54 -11.333 -10.113 -2.918 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.038 -11.271 -1.332 1.00 0.00 H new ATOM 0 HB3 MET A 54 -8.921 -11.182 -3.078 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.424 -8.833 -1.216 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.894 -9.226 -1.975 1.00 0.00 H new ATOM 0 HE1 MET A 54 -11.742 -7.684 -3.735 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.284 -8.040 -2.053 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.802 -6.498 -2.799 1.00 0.00 H new ATOM 883 N TYR A 55 -11.065 -13.341 -2.275 1.00 0.00 N ATOM 884 CA TYR A 55 -11.323 -14.670 -2.818 1.00 0.00 C ATOM 885 C TYR A 55 -12.773 -14.800 -3.274 1.00 0.00 C ATOM 886 O TYR A 55 -13.038 -15.154 -4.418 1.00 0.00 O ATOM 887 CB TYR A 55 -10.995 -15.739 -1.766 1.00 0.00 C ATOM 888 CG TYR A 55 -11.333 -17.157 -2.185 1.00 0.00 C ATOM 889 CD1 TYR A 55 -12.654 -17.586 -2.244 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.332 -18.069 -2.508 1.00 0.00 C ATOM 891 CE1 TYR A 55 -12.969 -18.880 -2.616 1.00 0.00 C ATOM 892 CE2 TYR A 55 -10.640 -19.366 -2.879 1.00 0.00 C ATOM 893 CZ TYR A 55 -11.959 -19.764 -2.932 1.00 0.00 C ATOM 894 OH TYR A 55 -12.271 -21.053 -3.301 1.00 0.00 O ATOM 0 H TYR A 55 -10.762 -13.334 -1.301 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.682 -14.818 -3.687 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.932 -15.686 -1.532 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.535 -15.506 -0.849 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.448 -16.897 -1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.298 -17.759 -2.468 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.001 -19.197 -2.659 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.852 -20.062 -3.126 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.519 -21.071 -4.249 1.00 0.00 H new ATOM 904 N GLU A 56 -13.708 -14.510 -2.375 1.00 0.00 N ATOM 905 CA GLU A 56 -15.134 -14.602 -2.690 1.00 0.00 C ATOM 906 C GLU A 56 -15.491 -13.810 -3.946 1.00 0.00 C ATOM 907 O GLU A 56 -16.288 -14.264 -4.768 1.00 0.00 O ATOM 908 CB GLU A 56 -15.968 -14.111 -1.506 1.00 0.00 C ATOM 909 CG GLU A 56 -16.428 -15.230 -0.588 1.00 0.00 C ATOM 910 CD GLU A 56 -17.880 -15.085 -0.172 1.00 0.00 C ATOM 911 OE1 GLU A 56 -18.176 -14.186 0.641 1.00 0.00 O ATOM 912 OE2 GLU A 56 -18.718 -15.872 -0.659 1.00 0.00 O ATOM 0 H GLU A 56 -13.506 -14.209 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.361 -15.650 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.381 -13.396 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.841 -13.577 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.292 -16.187 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.799 -15.246 0.302 1.00 0.00 H new ATOM 919 N SER A 57 -14.904 -12.625 -4.092 1.00 0.00 N ATOM 920 CA SER A 57 -15.171 -11.774 -5.253 1.00 0.00 C ATOM 921 C SER A 57 -15.077 -12.568 -6.556 1.00 0.00 C ATOM 922 O SER A 57 -15.734 -12.243 -7.544 1.00 0.00 O ATOM 923 CB SER A 57 -14.190 -10.601 -5.284 1.00 0.00 C ATOM 924 OG SER A 57 -14.830 -9.411 -5.712 1.00 0.00 O ATOM 0 H SER A 57 -14.242 -12.231 -3.424 1.00 0.00 H new ATOM 0 HA SER A 57 -16.187 -11.391 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.765 -10.452 -4.291 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.362 -10.833 -5.954 1.00 0.00 H new ATOM 0 HG SER A 57 -14.231 -8.648 -5.571 1.00 0.00 H new ATOM 930 N ALA A 58 -14.254 -13.609 -6.544 1.00 0.00 N ATOM 931 CA ALA A 58 -14.062 -14.461 -7.713 1.00 0.00 C ATOM 932 C ALA A 58 -14.991 -15.651 -7.695 1.00 0.00 C ATOM 933 O ALA A 58 -15.098 -16.352 -6.696 1.00 0.00 O ATOM 934 CB ALA A 58 -12.619 -14.943 -7.779 1.00 0.00 C ATOM 0 H ALA A 58 -13.704 -13.886 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.292 -13.864 -8.595 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.487 -15.578 -8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -11.951 -14.084 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.384 -15.512 -6.880 1.00 0.00 H new ATOM 940 N ASN A 59 -15.617 -15.909 -8.828 1.00 0.00 N ATOM 941 CA ASN A 59 -16.470 -17.071 -8.954 1.00 0.00 C ATOM 942 C ASN A 59 -15.635 -18.181 -9.570 1.00 0.00 C ATOM 943 O ASN A 59 -16.108 -19.292 -9.793 1.00 0.00 O ATOM 944 CB ASN A 59 -17.699 -16.791 -9.820 1.00 0.00 C ATOM 945 CG ASN A 59 -18.512 -15.616 -9.313 1.00 0.00 C ATOM 946 OD1 ASN A 59 -17.961 -14.595 -8.904 1.00 0.00 O ATOM 947 ND2 ASN A 59 -19.833 -15.757 -9.334 1.00 0.00 N ATOM 0 H ASN A 59 -15.551 -15.333 -9.667 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.843 -17.355 -7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -17.381 -16.594 -10.844 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.330 -17.680 -9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -20.432 -15.001 -9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -20.248 -16.621 -9.682 1.00 0.00 H new ATOM 954 N SER A 60 -14.369 -17.851 -9.840 1.00 0.00 N ATOM 955 CA SER A 60 -13.439 -18.804 -10.431 1.00 0.00 C ATOM 956 C SER A 60 -12.012 -18.512 -9.982 1.00 0.00 C ATOM 957 O SER A 60 -11.760 -17.533 -9.280 1.00 0.00 O ATOM 958 CB SER A 60 -13.526 -18.756 -11.958 1.00 0.00 C ATOM 959 OG SER A 60 -14.872 -18.835 -12.395 1.00 0.00 O ATOM 0 H SER A 60 -13.969 -16.931 -9.657 1.00 0.00 H new ATOM 0 HA SER A 60 -13.713 -19.803 -10.092 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.076 -17.833 -12.322 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.953 -19.580 -12.384 1.00 0.00 H new ATOM 0 HG SER A 60 -14.901 -18.801 -13.374 1.00 0.00 H new ATOM 965 N ARG A 61 -11.081 -19.367 -10.389 1.00 0.00 N ATOM 966 CA ARG A 61 -9.680 -19.197 -10.026 1.00 0.00 C ATOM 967 C ARG A 61 -9.044 -18.060 -10.818 1.00 0.00 C ATOM 968 O ARG A 61 -8.408 -17.173 -10.248 1.00 0.00 O ATOM 969 CB ARG A 61 -8.907 -20.494 -10.268 1.00 0.00 C ATOM 970 CG ARG A 61 -7.624 -20.596 -9.460 1.00 0.00 C ATOM 971 CD ARG A 61 -6.622 -19.527 -9.865 1.00 0.00 C ATOM 972 NE ARG A 61 -5.245 -20.006 -9.774 1.00 0.00 N ATOM 973 CZ ARG A 61 -4.667 -20.783 -10.687 1.00 0.00 C ATOM 974 NH1 ARG A 61 -5.345 -21.171 -11.762 1.00 0.00 N ATOM 975 NH2 ARG A 61 -3.411 -21.174 -10.527 1.00 0.00 N ATOM 0 H ARG A 61 -11.271 -20.184 -10.970 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.636 -18.946 -8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.549 -21.341 -10.024 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.666 -20.571 -11.328 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.853 -20.498 -8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.182 -21.582 -9.601 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.827 -19.206 -10.886 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.745 -18.653 -9.225 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.693 -19.728 -8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.312 -20.873 -11.890 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.898 -21.766 -12.459 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.886 -20.880 -9.703 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.969 -21.769 -11.227 1.00 0.00 H new ATOM 989 N ASP A 62 -9.218 -18.093 -12.136 1.00 0.00 N ATOM 990 CA ASP A 62 -8.660 -17.067 -13.010 1.00 0.00 C ATOM 991 C ASP A 62 -9.112 -15.675 -12.579 1.00 0.00 C ATOM 992 O ASP A 62 -8.307 -14.746 -12.500 1.00 0.00 O ATOM 993 CB ASP A 62 -9.073 -17.323 -14.460 1.00 0.00 C ATOM 994 CG ASP A 62 -8.094 -18.222 -15.190 1.00 0.00 C ATOM 995 OD1 ASP A 62 -7.381 -18.995 -14.515 1.00 0.00 O ATOM 996 OD2 ASP A 62 -8.040 -18.153 -16.436 1.00 0.00 O ATOM 0 H ASP A 62 -9.742 -18.821 -12.622 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.574 -17.115 -12.934 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.063 -17.779 -14.478 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.150 -16.372 -14.986 1.00 0.00 H new ATOM 1001 N GLU A 63 -10.404 -15.537 -12.303 1.00 0.00 N ATOM 1002 CA GLU A 63 -10.962 -14.259 -11.879 1.00 0.00 C ATOM 1003 C GLU A 63 -10.317 -13.787 -10.581 1.00 0.00 C ATOM 1004 O GLU A 63 -10.019 -12.604 -10.418 1.00 0.00 O ATOM 1005 CB GLU A 63 -12.476 -14.374 -11.698 1.00 0.00 C ATOM 1006 CG GLU A 63 -13.166 -13.038 -11.477 1.00 0.00 C ATOM 1007 CD GLU A 63 -14.533 -12.972 -12.132 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -14.615 -13.199 -13.357 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -15.519 -12.693 -11.419 1.00 0.00 O ATOM 0 H GLU A 63 -11.084 -16.294 -12.365 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.751 -13.524 -12.656 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.903 -14.853 -12.579 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.684 -15.025 -10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.271 -12.860 -10.407 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.539 -12.239 -11.873 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.104 -14.721 -9.659 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.495 -14.402 -8.373 1.00 0.00 C ATOM 1018 C TYR A 64 -8.103 -13.808 -8.560 1.00 0.00 C ATOM 1019 O TYR A 64 -7.666 -12.965 -7.777 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.416 -15.656 -7.499 1.00 0.00 C ATOM 1021 CG TYR A 64 -8.766 -15.424 -6.151 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -8.967 -14.239 -5.455 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -7.952 -16.392 -5.577 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.374 -14.025 -4.224 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.356 -16.187 -4.348 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.570 -15.002 -3.676 1.00 0.00 C ATOM 1027 OH TYR A 64 -6.979 -14.793 -2.451 1.00 0.00 O ATOM 0 H TYR A 64 -10.344 -15.705 -9.779 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.121 -13.660 -7.877 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.423 -16.043 -7.344 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -8.858 -16.425 -8.033 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.597 -13.472 -5.882 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.782 -17.321 -6.101 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.540 -13.098 -3.695 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.726 -16.950 -3.916 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.446 -15.578 -2.207 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.408 -14.254 -9.603 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.065 -13.766 -9.890 1.00 0.00 C ATOM 1039 C TYR A 65 -6.108 -12.352 -10.461 1.00 0.00 C ATOM 1040 O TYR A 65 -5.476 -11.438 -9.932 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.356 -14.708 -10.867 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.159 -15.413 -10.267 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -2.927 -14.777 -10.180 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -4.262 -16.713 -9.790 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -1.832 -15.418 -9.633 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -3.171 -17.360 -9.241 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.958 -16.709 -9.165 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.869 -17.349 -8.620 1.00 0.00 O ATOM 0 H TYR A 65 -7.753 -14.952 -10.262 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.507 -13.739 -8.954 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.067 -15.454 -11.220 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.033 -14.138 -11.738 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.824 -13.766 -10.546 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -5.210 -17.227 -9.849 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.881 -14.910 -9.572 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -3.268 -18.371 -8.873 1.00 0.00 H new ATOM 0 HH TYR A 65 -1.127 -18.251 -8.338 1.00 0.00 H new ATOM 1058 N HIS A 66 -6.860 -12.180 -11.545 1.00 0.00 N ATOM 1059 CA HIS A 66 -6.985 -10.877 -12.187 1.00 0.00 C ATOM 1060 C HIS A 66 -7.699 -9.885 -11.274 1.00 0.00 C ATOM 1061 O HIS A 66 -7.272 -8.740 -11.130 1.00 0.00 O ATOM 1062 CB HIS A 66 -7.744 -11.007 -13.509 1.00 0.00 C ATOM 1063 CG HIS A 66 -7.058 -11.885 -14.509 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -7.398 -11.915 -15.845 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -6.042 -12.769 -14.363 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -6.624 -12.779 -16.476 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -5.792 -13.310 -15.600 1.00 0.00 N ATOM 0 H HIS A 66 -7.391 -12.926 -11.996 1.00 0.00 H new ATOM 0 HA HIS A 66 -5.981 -10.502 -12.387 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.739 -11.406 -13.310 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.879 -10.015 -13.940 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.525 -13.004 -13.445 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.665 -13.012 -17.530 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.079 -14.009 -15.808 1.00 0.00 H new ATOM 1076 N LEU A 67 -8.788 -10.334 -10.658 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.563 -9.488 -9.759 1.00 0.00 C ATOM 1078 C LEU A 67 -8.713 -9.024 -8.581 1.00 0.00 C ATOM 1079 O LEU A 67 -8.591 -7.827 -8.324 1.00 0.00 O ATOM 1080 CB LEU A 67 -10.792 -10.243 -9.249 1.00 0.00 C ATOM 1081 CG LEU A 67 -11.649 -9.479 -8.238 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -13.089 -9.967 -8.284 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -11.076 -9.627 -6.836 1.00 0.00 C ATOM 0 H LEU A 67 -9.154 -11.280 -10.766 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.889 -8.610 -10.317 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.415 -10.510 -10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.462 -11.176 -8.791 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.638 -8.422 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -13.684 -9.413 -7.558 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -13.495 -9.809 -9.283 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -13.121 -11.030 -8.043 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.698 -9.077 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.058 -10.681 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.062 -9.228 -6.814 1.00 0.00 H new ATOM 1095 N LEU A 68 -8.129 -9.981 -7.866 1.00 0.00 N ATOM 1096 CA LEU A 68 -7.291 -9.673 -6.713 1.00 0.00 C ATOM 1097 C LEU A 68 -6.141 -8.748 -7.101 1.00 0.00 C ATOM 1098 O LEU A 68 -5.654 -7.970 -6.280 1.00 0.00 O ATOM 1099 CB LEU A 68 -6.743 -10.964 -6.100 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.791 -10.767 -4.917 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -6.075 -11.789 -3.826 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.344 -10.863 -5.376 1.00 0.00 C ATOM 0 H LEU A 68 -8.221 -10.977 -8.065 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.906 -9.159 -5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.582 -11.578 -5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.222 -11.524 -6.876 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.956 -9.771 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.389 -11.633 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.101 -11.673 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.939 -12.794 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.681 -10.721 -4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.166 -11.845 -5.814 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.147 -10.092 -6.121 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.712 -8.836 -8.355 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.621 -8.003 -8.850 1.00 0.00 C ATOM 1116 C ALA A 69 -5.028 -6.535 -8.898 1.00 0.00 C ATOM 1117 O ALA A 69 -4.191 -5.644 -8.756 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.180 -8.476 -10.227 1.00 0.00 C ATOM 0 H ALA A 69 -6.102 -9.475 -9.047 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.783 -8.097 -8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.366 -7.846 -10.585 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.839 -9.509 -10.165 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.019 -8.412 -10.920 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.320 -6.288 -9.096 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.837 -4.926 -9.161 1.00 0.00 C ATOM 1126 C GLU A 70 -6.503 -4.156 -7.887 1.00 0.00 C ATOM 1127 O GLU A 70 -6.089 -2.997 -7.941 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.352 -4.943 -9.377 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.851 -3.829 -10.283 1.00 0.00 C ATOM 1130 CD GLU A 70 -9.914 -4.301 -11.255 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -9.590 -5.125 -12.136 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -11.071 -3.847 -11.136 1.00 0.00 O ATOM 0 H GLU A 70 -7.027 -7.014 -9.214 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.362 -4.424 -10.004 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.639 -5.904 -9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.849 -4.864 -8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.255 -3.022 -9.672 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.011 -3.416 -10.841 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.680 -4.808 -6.743 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.393 -4.185 -5.457 1.00 0.00 C ATOM 1141 C LYS A 71 -4.918 -3.813 -5.356 1.00 0.00 C ATOM 1142 O LYS A 71 -4.575 -2.656 -5.114 1.00 0.00 O ATOM 1143 CB LYS A 71 -6.774 -5.127 -4.314 1.00 0.00 C ATOM 1144 CG LYS A 71 -8.210 -4.962 -3.842 1.00 0.00 C ATOM 1145 CD LYS A 71 -8.378 -3.710 -2.998 1.00 0.00 C ATOM 1146 CE LYS A 71 -8.079 -3.981 -1.533 1.00 0.00 C ATOM 1147 NZ LYS A 71 -8.924 -3.150 -0.630 1.00 0.00 N ATOM 0 H LYS A 71 -7.021 -5.767 -6.680 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.987 -3.274 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.623 -6.157 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.102 -4.955 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.874 -4.912 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.506 -5.836 -3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.713 -2.929 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.397 -3.336 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.247 -5.036 -1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.027 -3.778 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.689 -3.365 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.746 -2.143 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.928 -3.362 -0.802 1.00 0.00 H new ATOM 1161 N ILE A 72 -4.050 -4.801 -5.546 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.611 -4.576 -5.481 1.00 0.00 C ATOM 1163 C ILE A 72 -2.172 -3.571 -6.540 1.00 0.00 C ATOM 1164 O ILE A 72 -1.227 -2.809 -6.336 1.00 0.00 O ATOM 1165 CB ILE A 72 -1.828 -5.889 -5.676 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.338 -6.962 -4.711 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.338 -5.654 -5.473 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.442 -8.335 -5.337 1.00 0.00 C ATOM 0 H ILE A 72 -4.318 -5.765 -5.746 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.392 -4.179 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.986 -6.239 -6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.670 -7.013 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.318 -6.667 -4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.201 -6.591 -5.614 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.016 -4.919 -6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.162 -5.283 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.810 -9.046 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.132 -8.299 -6.180 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.459 -8.651 -5.686 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.869 -3.575 -7.672 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.559 -2.665 -8.767 1.00 0.00 C ATOM 1182 C TYR A 73 -3.036 -1.250 -8.448 1.00 0.00 C ATOM 1183 O TYR A 73 -2.326 -0.275 -8.692 1.00 0.00 O ATOM 1184 CB TYR A 73 -3.206 -3.167 -10.064 1.00 0.00 C ATOM 1185 CG TYR A 73 -3.256 -2.136 -11.171 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -2.097 -1.531 -11.639 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -4.467 -1.769 -11.745 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -2.143 -0.589 -12.650 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -4.521 -0.829 -12.756 1.00 0.00 C ATOM 1190 CZ TYR A 73 -3.357 -0.241 -13.204 1.00 0.00 C ATOM 1191 OH TYR A 73 -3.407 0.696 -14.209 1.00 0.00 O ATOM 0 H TYR A 73 -3.654 -4.200 -7.854 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.477 -2.636 -8.898 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.655 -4.038 -10.418 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.221 -3.499 -9.846 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.145 -1.801 -11.206 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.381 -2.226 -11.395 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.233 -0.128 -13.004 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.470 -0.556 -13.193 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.337 0.826 -14.489 1.00 0.00 H new ATOM 1201 N LYS A 74 -4.244 -1.147 -7.903 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.818 0.146 -7.553 1.00 0.00 C ATOM 1203 C LYS A 74 -4.124 0.740 -6.331 1.00 0.00 C ATOM 1204 O LYS A 74 -3.773 1.920 -6.316 1.00 0.00 O ATOM 1205 CB LYS A 74 -6.317 0.007 -7.285 1.00 0.00 C ATOM 1206 CG LYS A 74 -7.054 1.335 -7.244 1.00 0.00 C ATOM 1207 CD LYS A 74 -8.495 1.160 -6.794 1.00 0.00 C ATOM 1208 CE LYS A 74 -9.431 2.096 -7.542 1.00 0.00 C ATOM 1209 NZ LYS A 74 -10.739 1.451 -7.841 1.00 0.00 N ATOM 0 H LYS A 74 -4.844 -1.945 -7.694 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.667 0.820 -8.396 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.759 -0.620 -8.059 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.461 -0.508 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.540 2.016 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.034 1.794 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.805 0.128 -6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.568 1.350 -5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.597 2.995 -6.948 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.961 2.412 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.348 2.122 -8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.584 0.608 -8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.200 1.172 -6.951 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.927 -0.086 -5.308 1.00 0.00 N ATOM 1224 CA ILE A 75 -3.275 0.360 -4.083 1.00 0.00 C ATOM 1225 C ILE A 75 -1.822 0.748 -4.343 1.00 0.00 C ATOM 1226 O ILE A 75 -1.281 1.638 -3.687 1.00 0.00 O ATOM 1227 CB ILE A 75 -3.318 -0.731 -2.993 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.753 -1.217 -2.784 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.738 -0.203 -1.688 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -4.846 -2.674 -2.386 1.00 0.00 C ATOM 0 H ILE A 75 -4.209 -1.066 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.824 1.234 -3.733 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.711 -1.575 -3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.226 -0.608 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -5.318 -1.063 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.776 -0.985 -0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.703 0.099 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.319 0.656 -1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.892 -2.949 -2.255 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.403 -3.293 -3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -4.310 -2.830 -1.450 1.00 0.00 H new ATOM 1242 N GLN A 76 -1.197 0.075 -5.303 1.00 0.00 N ATOM 1243 CA GLN A 76 0.192 0.352 -5.649 1.00 0.00 C ATOM 1244 C GLN A 76 0.362 1.798 -6.105 1.00 0.00 C ATOM 1245 O GLN A 76 1.272 2.498 -5.660 1.00 0.00 O ATOM 1246 CB GLN A 76 0.667 -0.603 -6.748 1.00 0.00 C ATOM 1247 CG GLN A 76 1.536 -1.739 -6.232 1.00 0.00 C ATOM 1248 CD GLN A 76 2.294 -2.442 -7.341 1.00 0.00 C ATOM 1249 OE1 GLN A 76 2.199 -3.766 -7.375 1.00 0.00 O flip ATOM 1250 NE2 GLN A 76 2.959 -1.803 -8.156 1.00 0.00 N flip ATOM 0 H GLN A 76 -1.630 -0.666 -5.855 1.00 0.00 H new ATOM 0 HA GLN A 76 0.800 0.198 -4.757 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.202 -1.023 -7.254 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.227 -0.037 -7.493 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.246 -1.347 -5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.910 -2.462 -5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.004 -0.786 -8.092 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.465 -2.290 -8.895 1.00 0.00 H new ATOM 1259 N LYS A 77 -0.521 2.240 -6.994 1.00 0.00 N ATOM 1260 CA LYS A 77 -0.471 3.603 -7.509 1.00 0.00 C ATOM 1261 C LYS A 77 -0.862 4.609 -6.431 1.00 0.00 C ATOM 1262 O LYS A 77 -0.402 5.751 -6.438 1.00 0.00 O ATOM 1263 CB LYS A 77 -1.397 3.748 -8.719 1.00 0.00 C ATOM 1264 CG LYS A 77 -0.717 3.449 -10.045 1.00 0.00 C ATOM 1265 CD LYS A 77 -0.365 1.976 -10.171 1.00 0.00 C ATOM 1266 CE LYS A 77 0.741 1.752 -11.189 1.00 0.00 C ATOM 1267 NZ LYS A 77 1.326 0.387 -11.084 1.00 0.00 N ATOM 0 H LYS A 77 -1.280 1.674 -7.373 1.00 0.00 H new ATOM 0 HA LYS A 77 0.554 3.810 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.248 3.078 -8.597 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.792 4.763 -8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.374 3.739 -10.865 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.188 4.049 -10.134 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.051 1.592 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.251 1.413 -10.465 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.345 1.901 -12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.525 2.495 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.076 0.275 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.727 0.253 -10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.584 -0.322 -11.249 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.713 4.177 -5.505 1.00 0.00 N ATOM 1282 CA GLU A 78 -2.165 5.039 -4.420 1.00 0.00 C ATOM 1283 C GLU A 78 -0.987 5.550 -3.593 1.00 0.00 C ATOM 1284 O GLU A 78 -1.072 6.599 -2.956 1.00 0.00 O ATOM 1285 CB GLU A 78 -3.146 4.287 -3.519 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.495 4.029 -4.169 1.00 0.00 C ATOM 1287 CD GLU A 78 -5.422 5.227 -4.085 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -6.035 5.429 -3.016 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -5.533 5.963 -5.088 1.00 0.00 O ATOM 0 H GLU A 78 -2.103 3.235 -5.485 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.670 5.898 -4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.703 3.334 -3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.297 4.859 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.345 3.763 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.968 3.173 -3.687 1.00 0.00 H new ATOM 1296 N LEU A 79 0.112 4.800 -3.608 1.00 0.00 N ATOM 1297 CA LEU A 79 1.305 5.177 -2.858 1.00 0.00 C ATOM 1298 C LEU A 79 1.776 6.579 -3.242 1.00 0.00 C ATOM 1299 O LEU A 79 2.400 7.274 -2.441 1.00 0.00 O ATOM 1300 CB LEU A 79 2.426 4.166 -3.103 1.00 0.00 C ATOM 1301 CG LEU A 79 2.408 2.943 -2.185 1.00 0.00 C ATOM 1302 CD1 LEU A 79 3.081 1.758 -2.860 1.00 0.00 C ATOM 1303 CD2 LEU A 79 3.085 3.261 -0.861 1.00 0.00 C ATOM 0 H LEU A 79 0.200 3.929 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 79 1.049 5.179 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.368 3.826 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.384 4.674 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 79 1.370 2.678 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.058 0.897 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.552 1.516 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.116 2.011 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.063 2.380 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.120 3.552 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.558 4.079 -0.370 1.00 0.00 H new ATOM 1315 N GLU A 80 1.474 6.985 -4.472 1.00 0.00 N ATOM 1316 CA GLU A 80 1.868 8.302 -4.958 1.00 0.00 C ATOM 1317 C GLU A 80 1.137 9.406 -4.200 1.00 0.00 C ATOM 1318 O GLU A 80 1.681 10.488 -3.983 1.00 0.00 O ATOM 1319 CB GLU A 80 1.582 8.422 -6.456 1.00 0.00 C ATOM 1320 CG GLU A 80 2.706 7.897 -7.333 1.00 0.00 C ATOM 1321 CD GLU A 80 2.445 6.492 -7.838 1.00 0.00 C ATOM 1322 OE1 GLU A 80 1.839 6.354 -8.922 1.00 0.00 O ATOM 1323 OE2 GLU A 80 2.843 5.529 -7.150 1.00 0.00 O ATOM 0 H GLU A 80 0.959 6.422 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 80 2.938 8.418 -4.788 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.667 7.877 -6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.400 9.469 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.840 8.565 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.638 7.909 -6.768 1.00 0.00 H new ATOM 1330 N GLU A 81 -0.100 9.125 -3.801 1.00 0.00 N ATOM 1331 CA GLU A 81 -0.905 10.095 -3.068 1.00 0.00 C ATOM 1332 C GLU A 81 -0.264 10.438 -1.726 1.00 0.00 C ATOM 1333 O GLU A 81 -0.465 11.530 -1.193 1.00 0.00 O ATOM 1334 CB GLU A 81 -2.318 9.552 -2.845 1.00 0.00 C ATOM 1335 CG GLU A 81 -3.288 9.904 -3.962 1.00 0.00 C ATOM 1336 CD GLU A 81 -4.695 9.413 -3.688 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -5.356 9.975 -2.789 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -5.137 8.466 -4.372 1.00 0.00 O ATOM 0 H GLU A 81 -0.566 8.234 -3.973 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.961 11.005 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.270 8.468 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.704 9.942 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -3.304 10.986 -4.097 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.932 9.472 -4.897 1.00 0.00 H new ATOM 1345 N LYS A 82 0.509 9.501 -1.184 1.00 0.00 N ATOM 1346 CA LYS A 82 1.178 9.707 0.096 1.00 0.00 C ATOM 1347 C LYS A 82 2.053 10.957 0.063 1.00 0.00 C ATOM 1348 O LYS A 82 2.265 11.606 1.087 1.00 0.00 O ATOM 1349 CB LYS A 82 2.028 8.486 0.453 1.00 0.00 C ATOM 1350 CG LYS A 82 1.210 7.284 0.895 1.00 0.00 C ATOM 1351 CD LYS A 82 0.552 7.523 2.246 1.00 0.00 C ATOM 1352 CE LYS A 82 -0.910 7.909 2.093 1.00 0.00 C ATOM 1353 NZ LYS A 82 -1.377 8.775 3.210 1.00 0.00 N ATOM 0 H LYS A 82 0.687 8.592 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 82 0.411 9.845 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.630 8.207 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.721 8.756 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.445 7.070 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.854 6.406 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.630 6.622 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.084 8.313 2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.050 8.431 1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.521 7.007 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.339 8.494 3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.737 8.669 4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -1.382 9.768 2.901 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.372 3.743 8.220 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.107 3.106 8.566 1.00 0.00 C ATOM 1548 C GLU B 94 -5.357 2.661 7.314 1.00 0.00 C ATOM 1549 O GLU B 94 -4.129 2.568 7.316 1.00 0.00 O ATOM 1550 CB GLU B 94 -6.351 1.905 9.482 1.00 0.00 C ATOM 1551 CG GLU B 94 -5.212 1.641 10.455 1.00 0.00 C ATOM 1552 CD GLU B 94 -5.703 1.283 11.844 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -6.380 2.126 12.469 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -5.411 0.160 12.305 1.00 0.00 O ATOM 0 HA GLU B 94 -5.494 3.838 9.092 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.269 2.069 10.046 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -6.508 1.017 8.869 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -4.593 0.830 10.072 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -4.578 2.525 10.515 1.00 0.00 H new ATOM 1561 N LEU B 95 -6.100 2.388 6.246 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.500 1.955 4.987 1.00 0.00 C ATOM 1563 C LEU B 95 -4.451 2.956 4.513 1.00 0.00 C ATOM 1564 O LEU B 95 -3.466 2.583 3.876 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.580 1.783 3.918 1.00 0.00 C ATOM 1566 CG LEU B 95 -6.061 1.402 2.529 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -5.404 0.031 2.561 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -7.194 1.428 1.513 1.00 0.00 C ATOM 0 H LEU B 95 -7.117 2.459 6.226 1.00 0.00 H new ATOM 0 HA LEU B 95 -5.010 0.996 5.155 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.280 1.017 4.250 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.141 2.714 3.837 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.311 2.134 2.229 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -5.042 -0.222 1.565 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -4.567 0.045 3.259 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -6.132 -0.714 2.882 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.808 1.155 0.531 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.966 0.718 1.810 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -7.621 2.430 1.469 1.00 0.00 H new ATOM 1580 N SER B 96 -4.669 4.228 4.831 1.00 0.00 N ATOM 1581 CA SER B 96 -3.742 5.283 4.440 1.00 0.00 C ATOM 1582 C SER B 96 -2.521 5.298 5.355 1.00 0.00 C ATOM 1583 O SER B 96 -1.420 5.649 4.930 1.00 0.00 O ATOM 1584 CB SER B 96 -4.439 6.644 4.479 1.00 0.00 C ATOM 1585 OG SER B 96 -3.955 7.495 3.454 1.00 0.00 O ATOM 0 H SER B 96 -5.479 4.553 5.358 1.00 0.00 H new ATOM 0 HA SER B 96 -3.410 5.082 3.421 1.00 0.00 H new ATOM 0 HB2 SER B 96 -5.515 6.509 4.366 1.00 0.00 H new ATOM 0 HB3 SER B 96 -4.277 7.111 5.450 1.00 0.00 H new ATOM 0 HG SER B 96 -4.418 8.358 3.500 1.00 0.00 H new ATOM 1591 N ASP B 97 -2.723 4.915 6.612 1.00 0.00 N ATOM 1592 CA ASP B 97 -1.637 4.885 7.585 1.00 0.00 C ATOM 1593 C ASP B 97 -0.589 3.845 7.200 1.00 0.00 C ATOM 1594 O ASP B 97 0.604 4.036 7.434 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.184 4.581 8.980 1.00 0.00 C ATOM 1596 CG ASP B 97 -2.642 5.830 9.707 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -2.107 6.919 9.411 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -3.536 5.719 10.573 1.00 0.00 O ATOM 0 H ASP B 97 -3.628 4.621 6.980 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.163 5.866 7.593 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.020 3.886 8.896 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -1.413 4.083 9.569 1.00 0.00 H new ATOM 1603 N LEU B 98 -1.044 2.746 6.607 1.00 0.00 N ATOM 1604 CA LEU B 98 -0.146 1.676 6.188 1.00 0.00 C ATOM 1605 C LEU B 98 0.712 2.116 5.006 1.00 0.00 C ATOM 1606 O LEU B 98 1.847 1.667 4.849 1.00 0.00 O ATOM 1607 CB LEU B 98 -0.945 0.426 5.816 1.00 0.00 C ATOM 1608 CG LEU B 98 -2.032 0.028 6.816 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -2.829 -1.158 6.295 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -1.418 -0.294 8.170 1.00 0.00 C ATOM 0 H LEU B 98 -2.029 2.573 6.406 1.00 0.00 H new ATOM 0 HA LEU B 98 0.513 1.442 7.024 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -1.410 0.587 4.843 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -0.253 -0.409 5.704 1.00 0.00 H new ATOM 0 HG LEU B 98 -2.712 0.871 6.938 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -3.597 -1.427 7.020 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -3.300 -0.892 5.349 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -2.162 -2.006 6.143 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -2.206 -0.575 8.869 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -0.715 -1.120 8.064 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -0.892 0.583 8.549 1.00 0.00 H new ATOM 1622 N LEU B 99 0.160 2.996 4.177 1.00 0.00 N ATOM 1623 CA LEU B 99 0.874 3.496 3.007 1.00 0.00 C ATOM 1624 C LEU B 99 1.996 4.444 3.418 1.00 0.00 C ATOM 1625 O LEU B 99 3.046 4.494 2.776 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.094 4.211 2.062 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.749 3.316 1.010 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -2.087 2.794 1.513 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -0.927 4.071 -0.299 1.00 0.00 C ATOM 0 H LEU B 99 -0.779 3.378 4.293 1.00 0.00 H new ATOM 0 HA LEU B 99 1.315 2.644 2.489 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -0.878 4.681 2.656 1.00 0.00 H new ATOM 0 HB3 LEU B 99 0.443 5.011 1.553 1.00 0.00 H new ATOM 0 HG LEU B 99 -0.094 2.464 0.827 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -2.539 2.159 0.751 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -1.933 2.215 2.424 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -2.749 3.634 1.725 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -1.395 3.417 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -1.560 4.942 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU B 99 0.046 4.395 -0.668 1.00 0.00 H new ATOM 1641 N ASP B 100 1.766 5.196 4.489 1.00 0.00 N ATOM 1642 CA ASP B 100 2.757 6.145 4.986 1.00 0.00 C ATOM 1643 C ASP B 100 4.079 5.447 5.290 1.00 0.00 C ATOM 1644 O ASP B 100 5.150 6.039 5.148 1.00 0.00 O ATOM 1645 CB ASP B 100 2.235 6.845 6.243 1.00 0.00 C ATOM 1646 CG ASP B 100 3.013 8.105 6.567 1.00 0.00 C ATOM 1647 OD1 ASP B 100 2.692 9.165 5.990 1.00 0.00 O ATOM 1648 OD2 ASP B 100 3.943 8.032 7.398 1.00 0.00 O ATOM 0 H ASP B 100 0.902 5.167 5.030 1.00 0.00 H new ATOM 0 HA ASP B 100 2.933 6.889 4.209 1.00 0.00 H new ATOM 0 HB2 ASP B 100 1.183 7.096 6.106 1.00 0.00 H new ATOM 0 HB3 ASP B 100 2.292 6.159 7.088 1.00 0.00 H new ATOM 1653 N PHE B 101 3.998 4.189 5.708 1.00 0.00 N ATOM 1654 CA PHE B 101 5.188 3.411 6.031 1.00 0.00 C ATOM 1655 C PHE B 101 6.104 3.289 4.817 1.00 0.00 C ATOM 1656 O PHE B 101 7.271 3.679 4.865 1.00 0.00 O ATOM 1657 CB PHE B 101 4.793 2.019 6.527 1.00 0.00 C ATOM 1658 CG PHE B 101 5.812 1.390 7.436 1.00 0.00 C ATOM 1659 CD1 PHE B 101 7.128 1.243 7.028 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.451 0.944 8.698 1.00 0.00 C ATOM 1661 CE1 PHE B 101 8.065 0.663 7.862 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.383 0.363 9.535 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.692 0.222 9.117 1.00 0.00 C ATOM 0 H PHE B 101 3.119 3.686 5.831 1.00 0.00 H new ATOM 0 HA PHE B 101 5.729 3.932 6.821 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.842 2.087 7.054 1.00 0.00 H new ATOM 0 HB3 PHE B 101 4.635 1.368 5.667 1.00 0.00 H new ATOM 0 HD1 PHE B 101 7.425 1.585 6.048 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.429 1.052 9.030 1.00 0.00 H new ATOM 0 HE1 PHE B 101 9.088 0.555 7.533 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.089 0.019 10.516 1.00 0.00 H new ATOM 0 HZ PHE B 101 8.423 -0.232 9.770 1.00 0.00 H new ATOM 1673 N SER B 102 5.566 2.747 3.730 1.00 0.00 N ATOM 1674 CA SER B 102 6.334 2.573 2.502 1.00 0.00 C ATOM 1675 C SER B 102 6.624 3.919 1.845 1.00 0.00 C ATOM 1676 O SER B 102 7.649 4.090 1.186 1.00 0.00 O ATOM 1677 CB SER B 102 5.579 1.669 1.526 1.00 0.00 C ATOM 1678 OG SER B 102 6.472 0.833 0.810 1.00 0.00 O ATOM 0 H SER B 102 4.601 2.421 3.674 1.00 0.00 H new ATOM 0 HA SER B 102 7.283 2.104 2.761 1.00 0.00 H new ATOM 0 HB2 SER B 102 4.862 1.057 2.073 1.00 0.00 H new ATOM 0 HB3 SER B 102 5.008 2.280 0.827 1.00 0.00 H new ATOM 0 HG SER B 102 5.965 0.264 0.194 1.00 0.00 H new ATOM 1684 N ALA B 103 5.715 4.871 2.030 1.00 0.00 N ATOM 1685 CA ALA B 103 5.874 6.202 1.455 1.00 0.00 C ATOM 1686 C ALA B 103 7.164 6.859 1.935 1.00 0.00 C ATOM 1687 O ALA B 103 7.768 7.658 1.220 1.00 0.00 O ATOM 1688 CB ALA B 103 4.675 7.072 1.803 1.00 0.00 C ATOM 0 H ALA B 103 4.861 4.746 2.573 1.00 0.00 H new ATOM 0 HA ALA B 103 5.933 6.098 0.372 1.00 0.00 H new ATOM 0 HB1 ALA B 103 4.806 8.063 1.368 1.00 0.00 H new ATOM 0 HB2 ALA B 103 3.768 6.618 1.404 1.00 0.00 H new ATOM 0 HB3 ALA B 103 4.591 7.160 2.886 1.00 0.00 H new ATOM 1694 N MET B 104 7.581 6.516 3.149 1.00 0.00 N ATOM 1695 CA MET B 104 8.801 7.073 3.723 1.00 0.00 C ATOM 1696 C MET B 104 10.028 6.314 3.231 1.00 0.00 C ATOM 1697 O MET B 104 11.110 6.887 3.092 1.00 0.00 O ATOM 1698 CB MET B 104 8.737 7.028 5.251 1.00 0.00 C ATOM 1699 CG MET B 104 9.534 8.133 5.925 1.00 0.00 C ATOM 1700 SD MET B 104 8.783 8.690 7.466 1.00 0.00 S ATOM 1701 CE MET B 104 8.069 10.249 6.951 1.00 0.00 C ATOM 0 H MET B 104 7.093 5.856 3.754 1.00 0.00 H new ATOM 0 HA MET B 104 8.885 8.111 3.401 1.00 0.00 H new ATOM 0 HB2 MET B 104 7.696 7.099 5.565 1.00 0.00 H new ATOM 0 HB3 MET B 104 9.108 6.062 5.594 1.00 0.00 H new ATOM 0 HG2 MET B 104 10.544 7.776 6.126 1.00 0.00 H new ATOM 0 HG3 MET B 104 9.624 8.978 5.243 1.00 0.00 H new ATOM 0 HE1 MET B 104 7.567 10.717 7.798 1.00 0.00 H new ATOM 0 HE2 MET B 104 8.858 10.908 6.588 1.00 0.00 H new ATOM 0 HE3 MET B 104 7.347 10.073 6.153 1.00 0.00 H new