USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 662 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 58 LYS NZ :NH3+ -175:sc= 1.37 (180deg=0.313) USER MOD Set 1.2: A 62 SER OG : rot 82:sc= 1.87 USER MOD Set 1.3: A 66 TYR OH : rot 168:sc= 0.233 USER MOD Set 2.1: A 48 CYS SG : rot -63:sc= 0.523 USER MOD Set 2.2: A 54 SER OG : rot 111:sc= 1.33 USER MOD Set 2.3: A 71 ASN : amide:sc= 0.632 K(o=2.5,f=-0.96) USER MOD Set 3.1: A 13 TYR OH : rot -7:sc= 1.2 USER MOD Set 3.2: A 17 HIS : no HE2:sc= 0.58 K(o=1.8,f=-2!) USER MOD Single : A 1 ALA N :NH3+ 178:sc= 1.2 (180deg=1.19) USER MOD Single : A 3 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.6!) USER MOD Single : A 12 GLN : amide:sc= 0.062 K(o=0.062,f=-5.9!) USER MOD Single : A 14 GLN : amide:sc= 0.692 K(o=0.69,f=-0.033) USER MOD Single : A 15 GLN : amide:sc= 0.85 K(o=0.85,f=0) USER MOD Single : A 19 GLN : amide:sc= 0.618 K(o=0.62,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.44 K(o=1.4,f=-0.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 39:sc= 0.831 USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= 1.09 (180deg=0.837) USER MOD Single : A 41 ASN : amide:sc= -0.0653 X(o=-0.065,f=-0.065) USER MOD Single : A 43 THR OG1 : rot 92:sc= 1.09 USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 1.33 (180deg=1.12) USER MOD Single : A 47 TYR OH : rot 165:sc= 0.282 USER MOD Single : A 49 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.19) USER MOD Single : A 53 GLN : amide:sc= 0.773 K(o=0.77,f=-5.7!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 64 MET CE :methyl -161:sc= -0.0292 (180deg=-0.575) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0677 USER MOD Single : A 68 HIS : no HE2:sc= 0.979 K(o=0.98,f=-3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -151:sc= 0 (180deg=-0.0304) USER MOD Single : A 82 LYS NZ :NH3+ 143:sc= 2.3 (180deg=1.05) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.943 0.027 -1.663 1.00 0.00 N ATOM 2 CA ALA A 1 -0.111 -0.311 -2.836 1.00 0.00 C ATOM 3 C ALA A 1 0.397 0.980 -3.493 1.00 0.00 C ATOM 4 O ALA A 1 0.354 2.057 -2.888 1.00 0.00 O ATOM 5 CB ALA A 1 -0.881 -1.223 -3.814 1.00 0.00 C ATOM 0 H1 ALA A 1 -1.315 -0.846 -1.238 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.366 0.534 -0.962 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.735 0.631 -1.962 1.00 0.00 H new ATOM 0 HA ALA A 1 0.761 -0.882 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.247 -1.457 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.162 -2.146 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.779 -0.711 -4.158 1.00 0.00 H new ATOM 13 N GLU A 2 0.926 0.881 -4.716 1.00 0.00 N ATOM 14 CA GLU A 2 1.419 2.009 -5.495 1.00 0.00 C ATOM 15 C GLU A 2 1.020 1.792 -6.956 1.00 0.00 C ATOM 16 O GLU A 2 1.037 0.658 -7.444 1.00 0.00 O ATOM 17 CB GLU A 2 2.953 2.120 -5.393 1.00 0.00 C ATOM 18 CG GLU A 2 3.488 2.397 -3.981 1.00 0.00 C ATOM 19 CD GLU A 2 5.025 2.400 -3.960 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.633 3.442 -4.291 1.00 0.00 O ATOM 21 OE2 GLU A 2 5.634 1.369 -3.593 1.00 0.00 O ATOM 0 H GLU A 2 1.024 -0.012 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 2 0.986 2.932 -5.108 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.395 1.193 -5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.290 2.917 -6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.115 3.359 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.114 1.640 -3.292 1.00 0.00 H new ATOM 28 N HIS A 3 0.718 2.886 -7.656 1.00 0.00 N ATOM 29 CA HIS A 3 0.400 2.923 -9.074 1.00 0.00 C ATOM 30 C HIS A 3 1.180 4.087 -9.680 1.00 0.00 C ATOM 31 O HIS A 3 0.791 5.249 -9.546 1.00 0.00 O ATOM 32 CB HIS A 3 -1.116 3.077 -9.280 1.00 0.00 C ATOM 33 CG HIS A 3 -1.895 1.809 -9.026 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.449 1.395 -7.834 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.195 0.849 -9.958 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.058 0.218 -8.042 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.932 -0.163 -9.328 1.00 0.00 N ATOM 0 H HIS A 3 0.689 3.810 -7.225 1.00 0.00 H new ATOM 0 HA HIS A 3 0.684 1.994 -9.567 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.486 3.859 -8.617 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.303 3.409 -10.301 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.404 1.897 -6.947 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.912 0.869 -11.000 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.578 -0.347 -7.282 1.00 0.00 H new ATOM 45 N TRP A 4 2.320 3.790 -10.301 1.00 0.00 N ATOM 46 CA TRP A 4 3.035 4.775 -11.099 1.00 0.00 C ATOM 47 C TRP A 4 2.235 4.987 -12.388 1.00 0.00 C ATOM 48 O TRP A 4 1.622 4.042 -12.885 1.00 0.00 O ATOM 49 CB TRP A 4 4.460 4.286 -11.383 1.00 0.00 C ATOM 50 CG TRP A 4 5.309 4.019 -10.173 1.00 0.00 C ATOM 51 CD1 TRP A 4 5.259 2.908 -9.402 1.00 0.00 C ATOM 52 CD2 TRP A 4 6.357 4.853 -9.585 1.00 0.00 C ATOM 53 NE1 TRP A 4 6.171 3.006 -8.373 1.00 0.00 N ATOM 54 CE2 TRP A 4 6.892 4.178 -8.446 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.923 6.105 -9.910 1.00 0.00 C ATOM 56 CZ2 TRP A 4 7.932 4.715 -7.672 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.973 6.647 -9.145 1.00 0.00 C ATOM 58 CH2 TRP A 4 8.481 5.956 -8.031 1.00 0.00 C ATOM 0 H TRP A 4 2.766 2.873 -10.265 1.00 0.00 H new ATOM 0 HA TRP A 4 3.128 5.723 -10.570 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.400 3.370 -11.971 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.963 5.030 -12.001 1.00 0.00 H new ATOM 0 HD1 TRP A 4 4.601 2.068 -9.568 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.296 2.299 -7.648 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.544 6.655 -10.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 8.305 4.180 -6.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.393 7.604 -9.417 1.00 0.00 H new ATOM 0 HH2 TRP A 4 9.290 6.378 -7.454 1.00 0.00 H new ATOM 69 N ILE A 5 2.238 6.195 -12.951 1.00 0.00 N ATOM 70 CA ILE A 5 1.479 6.515 -14.158 1.00 0.00 C ATOM 71 C ILE A 5 2.365 7.423 -15.010 1.00 0.00 C ATOM 72 O ILE A 5 2.827 8.465 -14.538 1.00 0.00 O ATOM 73 CB ILE A 5 0.132 7.208 -13.822 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.746 6.529 -12.740 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.696 7.397 -15.106 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.447 5.227 -13.152 1.00 0.00 C ATOM 0 H ILE A 5 2.770 6.982 -12.580 1.00 0.00 H new ATOM 0 HA ILE A 5 1.222 5.603 -14.696 1.00 0.00 H new ATOM 0 HB ILE A 5 0.427 8.160 -13.381 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.120 6.321 -11.872 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.507 7.241 -12.420 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.640 7.884 -14.862 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.140 8.016 -15.810 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.895 6.425 -15.557 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.030 4.847 -12.313 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.109 5.421 -13.996 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.700 4.487 -13.439 1.00 0.00 H new ATOM 88 N ASP A 6 2.601 7.025 -16.257 1.00 0.00 N ATOM 89 CA ASP A 6 3.208 7.895 -17.253 1.00 0.00 C ATOM 90 C ASP A 6 2.086 8.794 -17.755 1.00 0.00 C ATOM 91 O ASP A 6 1.142 8.305 -18.374 1.00 0.00 O ATOM 92 CB ASP A 6 3.770 7.071 -18.416 1.00 0.00 C ATOM 93 CG ASP A 6 3.998 7.896 -19.693 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.149 9.135 -19.634 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.008 7.268 -20.774 1.00 0.00 O ATOM 0 H ASP A 6 2.376 6.092 -16.602 1.00 0.00 H new ATOM 0 HA ASP A 6 4.033 8.467 -16.829 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.714 6.620 -18.110 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.084 6.254 -18.638 1.00 0.00 H new ATOM 100 N VAL A 7 2.181 10.093 -17.489 1.00 0.00 N ATOM 101 CA VAL A 7 1.154 11.060 -17.891 1.00 0.00 C ATOM 102 C VAL A 7 1.588 11.946 -19.068 1.00 0.00 C ATOM 103 O VAL A 7 0.986 12.994 -19.305 1.00 0.00 O ATOM 104 CB VAL A 7 0.599 11.832 -16.677 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.022 10.894 -15.632 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.670 12.679 -15.982 1.00 0.00 C ATOM 0 H VAL A 7 2.968 10.508 -16.990 1.00 0.00 H new ATOM 0 HA VAL A 7 0.312 10.494 -18.290 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.170 12.488 -17.085 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.400 11.481 -14.795 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.843 10.338 -16.085 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.735 10.197 -15.274 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.227 13.202 -15.134 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.473 12.032 -15.630 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.073 13.406 -16.687 1.00 0.00 H new ATOM 116 N ARG A 8 2.607 11.551 -19.835 1.00 0.00 N ATOM 117 CA ARG A 8 3.008 12.259 -21.050 1.00 0.00 C ATOM 118 C ARG A 8 2.412 11.552 -22.266 1.00 0.00 C ATOM 119 O ARG A 8 1.590 10.643 -22.135 1.00 0.00 O ATOM 120 CB ARG A 8 4.544 12.325 -21.129 1.00 0.00 C ATOM 121 CG ARG A 8 5.005 13.676 -21.702 1.00 0.00 C ATOM 122 CD ARG A 8 6.510 13.697 -21.995 1.00 0.00 C ATOM 123 NE ARG A 8 6.823 13.864 -23.426 1.00 0.00 N ATOM 124 CZ ARG A 8 6.874 15.020 -24.108 1.00 0.00 C ATOM 125 NH1 ARG A 8 6.522 16.172 -23.543 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.280 15.013 -25.373 1.00 0.00 N ATOM 0 H ARG A 8 3.177 10.730 -19.630 1.00 0.00 H new ATOM 0 HA ARG A 8 2.631 13.282 -21.031 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.970 12.182 -20.136 1.00 0.00 H new ATOM 0 HB3 ARG A 8 4.915 11.514 -21.755 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.455 13.887 -22.619 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.763 14.470 -20.996 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.971 14.508 -21.432 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.956 12.768 -21.639 1.00 0.00 H new ATOM 0 HE ARG A 8 7.021 13.013 -23.953 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.206 16.189 -22.573 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.568 17.038 -24.079 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.549 14.135 -25.817 1.00 0.00 H new ATOM 0 HH22 ARG A 8 7.322 15.885 -25.900 1.00 0.00 H new ATOM 140 N VAL A 9 2.817 11.973 -23.463 1.00 0.00 N ATOM 141 CA VAL A 9 2.522 11.246 -24.691 1.00 0.00 C ATOM 142 C VAL A 9 3.169 9.849 -24.620 1.00 0.00 C ATOM 143 O VAL A 9 4.196 9.688 -23.954 1.00 0.00 O ATOM 144 CB VAL A 9 3.019 12.048 -25.915 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.105 13.254 -26.172 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.471 12.541 -25.776 1.00 0.00 C ATOM 0 H VAL A 9 3.358 12.826 -23.606 1.00 0.00 H new ATOM 0 HA VAL A 9 1.445 11.119 -24.801 1.00 0.00 H new ATOM 0 HB VAL A 9 2.988 11.357 -26.757 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.469 13.808 -27.037 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.090 12.907 -26.364 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.107 13.905 -25.297 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.754 13.096 -26.670 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.553 13.191 -24.905 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.136 11.686 -25.654 1.00 0.00 H new ATOM 156 N PRO A 10 2.643 8.849 -25.350 1.00 0.00 N ATOM 157 CA PRO A 10 3.202 7.498 -25.372 1.00 0.00 C ATOM 158 C PRO A 10 4.615 7.415 -25.959 1.00 0.00 C ATOM 159 O PRO A 10 5.247 6.367 -25.846 1.00 0.00 O ATOM 160 CB PRO A 10 2.220 6.660 -26.194 1.00 0.00 C ATOM 161 CG PRO A 10 1.482 7.682 -27.053 1.00 0.00 C ATOM 162 CD PRO A 10 1.428 8.908 -26.152 1.00 0.00 C ATOM 0 HA PRO A 10 3.317 7.134 -24.351 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.741 5.925 -26.808 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.533 6.109 -25.552 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.013 7.887 -27.983 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.485 7.336 -27.325 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.388 9.826 -26.739 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.539 8.894 -25.521 1.00 0.00 H new ATOM 170 N GLU A 11 5.114 8.480 -26.588 1.00 0.00 N ATOM 171 CA GLU A 11 6.439 8.567 -27.186 1.00 0.00 C ATOM 172 C GLU A 11 7.553 8.213 -26.188 1.00 0.00 C ATOM 173 O GLU A 11 8.520 7.555 -26.575 1.00 0.00 O ATOM 174 CB GLU A 11 6.606 9.991 -27.743 1.00 0.00 C ATOM 175 CG GLU A 11 7.822 10.171 -28.658 1.00 0.00 C ATOM 176 CD GLU A 11 7.668 9.434 -30.002 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.053 9.993 -30.939 1.00 0.00 O ATOM 178 OE2 GLU A 11 8.178 8.301 -30.145 1.00 0.00 O ATOM 0 H GLU A 11 4.579 9.341 -26.697 1.00 0.00 H new ATOM 0 HA GLU A 11 6.527 7.835 -27.989 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.706 10.260 -28.297 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.687 10.688 -26.909 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.976 11.234 -28.846 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.713 9.805 -28.148 1.00 0.00 H new ATOM 185 N GLN A 12 7.429 8.596 -24.906 1.00 0.00 N ATOM 186 CA GLN A 12 8.398 8.150 -23.900 1.00 0.00 C ATOM 187 C GLN A 12 8.242 6.647 -23.641 1.00 0.00 C ATOM 188 O GLN A 12 9.233 5.920 -23.596 1.00 0.00 O ATOM 189 CB GLN A 12 8.334 8.975 -22.598 1.00 0.00 C ATOM 190 CG GLN A 12 6.979 9.031 -21.871 1.00 0.00 C ATOM 191 CD GLN A 12 7.146 9.537 -20.437 1.00 0.00 C ATOM 192 OE1 GLN A 12 7.273 10.736 -20.199 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.207 8.644 -19.457 1.00 0.00 N ATOM 0 H GLN A 12 6.686 9.198 -24.551 1.00 0.00 H new ATOM 0 HA GLN A 12 9.395 8.325 -24.305 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.073 8.572 -21.906 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.637 9.996 -22.829 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.298 9.686 -22.414 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.527 8.039 -21.860 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.100 7.651 -19.664 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.360 8.951 -18.496 1.00 0.00 H new ATOM 202 N TYR A 13 7.000 6.161 -23.555 1.00 0.00 N ATOM 203 CA TYR A 13 6.686 4.767 -23.265 1.00 0.00 C ATOM 204 C TYR A 13 7.309 3.836 -24.311 1.00 0.00 C ATOM 205 O TYR A 13 7.727 2.731 -23.972 1.00 0.00 O ATOM 206 CB TYR A 13 5.157 4.597 -23.172 1.00 0.00 C ATOM 207 CG TYR A 13 4.688 3.490 -22.246 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.502 3.759 -20.875 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.406 2.206 -22.749 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.057 2.750 -20.004 1.00 0.00 C ATOM 211 CE2 TYR A 13 3.948 1.193 -21.886 1.00 0.00 C ATOM 212 CZ TYR A 13 3.784 1.455 -20.505 1.00 0.00 C ATOM 213 OH TYR A 13 3.360 0.460 -19.676 1.00 0.00 O ATOM 0 H TYR A 13 6.171 6.741 -23.688 1.00 0.00 H new ATOM 0 HA TYR A 13 7.119 4.488 -22.304 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.722 5.539 -22.837 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.767 4.403 -24.171 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.703 4.748 -20.491 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.541 1.998 -23.800 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.924 2.963 -18.954 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.721 0.213 -22.279 1.00 0.00 H new ATOM 0 HH TYR A 13 3.407 0.766 -18.746 1.00 0.00 H new ATOM 223 N GLN A 14 7.446 4.291 -25.564 1.00 0.00 N ATOM 224 CA GLN A 14 8.044 3.503 -26.642 1.00 0.00 C ATOM 225 C GLN A 14 9.530 3.185 -26.411 1.00 0.00 C ATOM 226 O GLN A 14 10.062 2.321 -27.111 1.00 0.00 O ATOM 227 CB GLN A 14 7.895 4.219 -28.000 1.00 0.00 C ATOM 228 CG GLN A 14 6.471 4.615 -28.421 1.00 0.00 C ATOM 229 CD GLN A 14 5.414 3.557 -28.100 1.00 0.00 C ATOM 230 OE1 GLN A 14 5.328 2.517 -28.749 1.00 0.00 O ATOM 231 NE2 GLN A 14 4.594 3.796 -27.089 1.00 0.00 N ATOM 0 H GLN A 14 7.143 5.220 -25.856 1.00 0.00 H new ATOM 0 HA GLN A 14 7.497 2.560 -26.650 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.506 5.121 -27.977 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.310 3.572 -28.773 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.201 5.547 -27.924 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.461 4.811 -29.493 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.677 4.664 -26.559 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.879 3.113 -26.840 1.00 0.00 H new ATOM 240 N GLN A 15 10.211 3.857 -25.474 1.00 0.00 N ATOM 241 CA GLN A 15 11.666 3.790 -25.339 1.00 0.00 C ATOM 242 C GLN A 15 12.115 3.546 -23.896 1.00 0.00 C ATOM 243 O GLN A 15 13.062 2.786 -23.704 1.00 0.00 O ATOM 244 CB GLN A 15 12.315 5.026 -25.996 1.00 0.00 C ATOM 245 CG GLN A 15 11.779 6.381 -25.502 1.00 0.00 C ATOM 246 CD GLN A 15 12.243 7.547 -26.373 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.433 7.840 -26.480 1.00 0.00 O ATOM 248 NE2 GLN A 15 11.315 8.239 -27.017 1.00 0.00 N ATOM 0 H GLN A 15 9.764 4.464 -24.787 1.00 0.00 H new ATOM 0 HA GLN A 15 12.024 2.914 -25.880 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.390 4.991 -25.819 1.00 0.00 H new ATOM 0 HB3 GLN A 15 12.168 4.965 -27.074 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.689 6.354 -25.488 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.107 6.545 -24.476 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.332 7.986 -26.920 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.584 9.024 -27.610 1.00 0.00 H new ATOM 257 N GLU A 16 11.441 4.104 -22.886 1.00 0.00 N ATOM 258 CA GLU A 16 11.600 3.698 -21.491 1.00 0.00 C ATOM 259 C GLU A 16 10.415 4.247 -20.694 1.00 0.00 C ATOM 260 O GLU A 16 9.994 5.390 -20.878 1.00 0.00 O ATOM 261 CB GLU A 16 12.955 4.105 -20.858 1.00 0.00 C ATOM 262 CG GLU A 16 13.171 5.621 -20.715 1.00 0.00 C ATOM 263 CD GLU A 16 14.548 5.993 -20.135 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.587 5.712 -20.777 1.00 0.00 O ATOM 265 OE2 GLU A 16 14.594 6.603 -19.041 1.00 0.00 O ATOM 0 H GLU A 16 10.765 4.856 -23.017 1.00 0.00 H new ATOM 0 HA GLU A 16 11.611 2.608 -21.461 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.031 3.647 -19.872 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.762 3.693 -21.464 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.059 6.090 -21.693 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.392 6.032 -20.073 1.00 0.00 H new ATOM 272 N HIS A 17 9.900 3.443 -19.774 1.00 0.00 N ATOM 273 CA HIS A 17 8.922 3.842 -18.783 1.00 0.00 C ATOM 274 C HIS A 17 9.280 3.127 -17.489 1.00 0.00 C ATOM 275 O HIS A 17 9.903 2.062 -17.519 1.00 0.00 O ATOM 276 CB HIS A 17 7.504 3.485 -19.256 1.00 0.00 C ATOM 277 CG HIS A 17 7.239 2.009 -19.446 1.00 0.00 C ATOM 278 ND1 HIS A 17 6.813 1.129 -18.476 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.309 1.307 -20.620 1.00 0.00 C ATOM 280 CE1 HIS A 17 6.632 -0.070 -19.051 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.929 -0.018 -20.363 1.00 0.00 N ATOM 0 H HIS A 17 10.164 2.461 -19.698 1.00 0.00 H new ATOM 0 HA HIS A 17 8.935 4.921 -18.627 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.788 3.876 -18.533 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.314 3.996 -20.200 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.661 1.350 -17.492 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.606 1.706 -21.579 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.294 -0.955 -18.532 1.00 0.00 H new ATOM 289 N VAL A 18 8.878 3.704 -16.358 1.00 0.00 N ATOM 290 CA VAL A 18 8.942 3.052 -15.058 1.00 0.00 C ATOM 291 C VAL A 18 8.198 1.721 -15.200 1.00 0.00 C ATOM 292 O VAL A 18 7.077 1.688 -15.715 1.00 0.00 O ATOM 293 CB VAL A 18 8.343 4.005 -14.001 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.150 3.327 -12.637 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.247 5.236 -13.818 1.00 0.00 C ATOM 0 H VAL A 18 8.495 4.649 -16.322 1.00 0.00 H new ATOM 0 HA VAL A 18 9.957 2.835 -14.725 1.00 0.00 H new ATOM 0 HB VAL A 18 7.363 4.303 -14.373 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.726 4.042 -11.932 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.473 2.479 -12.745 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.113 2.978 -12.265 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.812 5.899 -13.070 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.235 4.916 -13.488 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.335 5.767 -14.766 1.00 0.00 H new ATOM 305 N GLN A 19 8.829 0.617 -14.791 1.00 0.00 N ATOM 306 CA GLN A 19 8.339 -0.731 -15.071 1.00 0.00 C ATOM 307 C GLN A 19 6.924 -0.960 -14.523 1.00 0.00 C ATOM 308 O GLN A 19 6.161 -1.730 -15.107 1.00 0.00 O ATOM 309 CB GLN A 19 9.367 -1.750 -14.540 1.00 0.00 C ATOM 310 CG GLN A 19 9.092 -3.216 -14.928 1.00 0.00 C ATOM 311 CD GLN A 19 8.423 -4.024 -13.811 1.00 0.00 C ATOM 312 OE1 GLN A 19 9.089 -4.667 -13.004 1.00 0.00 O ATOM 313 NE2 GLN A 19 7.102 -4.018 -13.731 1.00 0.00 N ATOM 0 H GLN A 19 9.697 0.635 -14.255 1.00 0.00 H new ATOM 0 HA GLN A 19 8.243 -0.866 -16.148 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.355 -1.472 -14.908 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.399 -1.678 -13.453 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.456 -3.237 -15.813 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.033 -3.695 -15.200 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.553 -3.483 -14.403 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.633 -4.549 -12.997 1.00 0.00 H new ATOM 322 N GLY A 20 6.560 -0.281 -13.433 1.00 0.00 N ATOM 323 CA GLY A 20 5.257 -0.396 -12.788 1.00 0.00 C ATOM 324 C GLY A 20 4.262 0.673 -13.248 1.00 0.00 C ATOM 325 O GLY A 20 3.339 0.975 -12.490 1.00 0.00 O ATOM 0 H GLY A 20 7.181 0.379 -12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.842 -1.383 -12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.385 -0.324 -11.708 1.00 0.00 H new ATOM 329 N ALA A 21 4.446 1.270 -14.435 1.00 0.00 N ATOM 330 CA ALA A 21 3.610 2.357 -14.943 1.00 0.00 C ATOM 331 C ALA A 21 2.937 2.001 -16.265 1.00 0.00 C ATOM 332 O ALA A 21 3.354 1.092 -16.985 1.00 0.00 O ATOM 333 CB ALA A 21 4.436 3.640 -15.115 1.00 0.00 C ATOM 0 H ALA A 21 5.193 1.003 -15.076 1.00 0.00 H new ATOM 0 HA ALA A 21 2.827 2.522 -14.203 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.796 4.437 -15.494 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.853 3.936 -14.152 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.246 3.459 -15.821 1.00 0.00 H new ATOM 339 N ILE A 22 1.919 2.793 -16.595 1.00 0.00 N ATOM 340 CA ILE A 22 1.066 2.682 -17.770 1.00 0.00 C ATOM 341 C ILE A 22 0.863 4.097 -18.322 1.00 0.00 C ATOM 342 O ILE A 22 0.827 5.057 -17.547 1.00 0.00 O ATOM 343 CB ILE A 22 -0.265 1.981 -17.396 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.977 2.624 -16.176 1.00 0.00 C ATOM 345 CG2 ILE A 22 -0.006 0.480 -17.166 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.321 1.975 -15.822 1.00 0.00 C ATOM 0 H ILE A 22 1.653 3.582 -16.006 1.00 0.00 H new ATOM 0 HA ILE A 22 1.522 2.066 -18.545 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.950 2.111 -18.234 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.317 2.564 -15.310 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.139 3.682 -16.380 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.941 -0.014 -16.903 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.395 0.036 -18.077 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.711 0.355 -16.355 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.754 2.482 -14.959 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.000 2.059 -16.670 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.165 0.923 -15.584 1.00 0.00 H new ATOM 358 N ASN A 23 0.782 4.232 -19.650 1.00 0.00 N ATOM 359 CA ASN A 23 0.628 5.525 -20.313 1.00 0.00 C ATOM 360 C ASN A 23 -0.831 5.975 -20.238 1.00 0.00 C ATOM 361 O ASN A 23 -1.709 5.311 -20.792 1.00 0.00 O ATOM 362 CB ASN A 23 1.090 5.459 -21.777 1.00 0.00 C ATOM 363 CG ASN A 23 0.845 6.807 -22.449 1.00 0.00 C ATOM 364 OD1 ASN A 23 -0.087 6.967 -23.227 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.650 7.801 -22.129 1.00 0.00 N ATOM 0 H ASN A 23 0.822 3.443 -20.295 1.00 0.00 H new ATOM 0 HA ASN A 23 1.257 6.251 -19.797 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.149 5.204 -21.824 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.549 4.674 -22.305 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.503 8.726 -22.532 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.420 7.645 -21.479 1.00 0.00 H new ATOM 372 N ILE A 24 -1.081 7.099 -19.566 1.00 0.00 N ATOM 373 CA ILE A 24 -2.388 7.732 -19.397 1.00 0.00 C ATOM 374 C ILE A 24 -2.148 9.252 -19.497 1.00 0.00 C ATOM 375 O ILE A 24 -1.938 9.900 -18.471 1.00 0.00 O ATOM 376 CB ILE A 24 -3.053 7.302 -18.063 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.183 5.763 -17.969 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.437 7.962 -17.933 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.950 5.256 -16.748 1.00 0.00 C ATOM 0 H ILE A 24 -0.337 7.619 -19.101 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.092 7.419 -20.168 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.416 7.633 -17.243 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.679 5.399 -18.869 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.183 5.328 -17.958 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.899 7.656 -16.994 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.326 9.046 -17.947 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.068 7.652 -18.766 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.989 4.167 -16.769 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.445 5.584 -15.839 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.964 5.655 -16.764 1.00 0.00 H new ATOM 391 N PRO A 25 -2.089 9.821 -20.716 1.00 0.00 N ATOM 392 CA PRO A 25 -1.665 11.199 -20.949 1.00 0.00 C ATOM 393 C PRO A 25 -2.436 12.247 -20.142 1.00 0.00 C ATOM 394 O PRO A 25 -3.626 12.091 -19.858 1.00 0.00 O ATOM 395 CB PRO A 25 -1.836 11.436 -22.454 1.00 0.00 C ATOM 396 CG PRO A 25 -1.662 10.039 -23.040 1.00 0.00 C ATOM 397 CD PRO A 25 -2.336 9.161 -21.989 1.00 0.00 C ATOM 0 HA PRO A 25 -0.635 11.318 -20.613 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.815 11.854 -22.689 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.092 12.132 -22.841 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.139 9.945 -24.016 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.611 9.781 -23.173 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.405 9.068 -22.182 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.922 8.153 -21.995 1.00 0.00 H new ATOM 405 N LEU A 26 -1.770 13.374 -19.877 1.00 0.00 N ATOM 406 CA LEU A 26 -2.288 14.551 -19.180 1.00 0.00 C ATOM 407 C LEU A 26 -3.660 14.999 -19.698 1.00 0.00 C ATOM 408 O LEU A 26 -4.506 15.419 -18.911 1.00 0.00 O ATOM 409 CB LEU A 26 -1.245 15.681 -19.331 1.00 0.00 C ATOM 410 CG LEU A 26 -1.635 17.026 -18.682 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.743 16.899 -17.163 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.586 18.093 -19.011 1.00 0.00 C ATOM 0 H LEU A 26 -0.798 13.495 -20.161 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.443 14.299 -18.131 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.304 15.345 -18.896 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.064 15.847 -20.393 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.606 17.315 -19.084 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.019 17.863 -16.736 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.504 16.160 -16.913 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.783 16.583 -16.755 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.871 19.038 -18.548 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.385 17.779 -18.627 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.525 18.222 -20.092 1.00 0.00 H new ATOM 424 N LYS A 27 -3.900 14.887 -21.010 1.00 0.00 N ATOM 425 CA LYS A 27 -5.162 15.290 -21.635 1.00 0.00 C ATOM 426 C LYS A 27 -6.358 14.459 -21.155 1.00 0.00 C ATOM 427 O LYS A 27 -7.493 14.908 -21.312 1.00 0.00 O ATOM 428 CB LYS A 27 -5.046 15.206 -23.167 1.00 0.00 C ATOM 429 CG LYS A 27 -3.986 16.170 -23.731 1.00 0.00 C ATOM 430 CD LYS A 27 -3.979 16.226 -25.267 1.00 0.00 C ATOM 431 CE LYS A 27 -3.578 14.884 -25.901 1.00 0.00 C ATOM 432 NZ LYS A 27 -3.527 14.959 -27.383 1.00 0.00 N ATOM 0 H LYS A 27 -3.219 14.512 -21.670 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.348 16.321 -21.332 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.793 14.185 -23.454 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.014 15.433 -23.615 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.167 17.170 -23.338 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.001 15.863 -23.380 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.969 16.511 -25.622 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.287 17.001 -25.596 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.603 14.581 -25.520 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.290 14.115 -25.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.253 14.033 -27.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.464 15.223 -27.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.829 15.674 -27.671 1.00 0.00 H new ATOM 446 N GLU A 28 -6.134 13.266 -20.595 1.00 0.00 N ATOM 447 CA GLU A 28 -7.187 12.292 -20.302 1.00 0.00 C ATOM 448 C GLU A 28 -7.104 11.767 -18.861 1.00 0.00 C ATOM 449 O GLU A 28 -8.060 11.155 -18.378 1.00 0.00 O ATOM 450 CB GLU A 28 -7.115 11.140 -21.320 1.00 0.00 C ATOM 451 CG GLU A 28 -7.267 11.610 -22.779 1.00 0.00 C ATOM 452 CD GLU A 28 -7.310 10.437 -23.771 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.208 9.573 -23.652 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.455 10.374 -24.683 1.00 0.00 O ATOM 0 H GLU A 28 -5.202 12.947 -20.329 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.151 12.792 -20.392 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.161 10.624 -21.209 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.897 10.415 -21.095 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.180 12.197 -22.875 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.436 12.268 -23.034 1.00 0.00 H new ATOM 461 N VAL A 29 -6.004 12.040 -18.145 1.00 0.00 N ATOM 462 CA VAL A 29 -5.784 11.620 -16.759 1.00 0.00 C ATOM 463 C VAL A 29 -6.962 12.001 -15.846 1.00 0.00 C ATOM 464 O VAL A 29 -7.300 11.243 -14.937 1.00 0.00 O ATOM 465 CB VAL A 29 -4.418 12.167 -16.266 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.444 13.646 -15.845 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.870 11.317 -15.112 1.00 0.00 C ATOM 0 H VAL A 29 -5.223 12.574 -18.527 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.740 10.532 -16.716 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.758 12.100 -17.131 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.450 13.948 -15.514 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.746 14.260 -16.693 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.154 13.780 -15.029 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.912 11.722 -14.785 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.574 11.335 -14.280 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.734 10.290 -15.450 1.00 0.00 H new ATOM 477 N LYS A 30 -7.618 13.141 -16.118 1.00 0.00 N ATOM 478 CA LYS A 30 -8.729 13.668 -15.327 1.00 0.00 C ATOM 479 C LYS A 30 -9.851 12.644 -15.164 1.00 0.00 C ATOM 480 O LYS A 30 -10.468 12.593 -14.104 1.00 0.00 O ATOM 481 CB LYS A 30 -9.255 14.958 -15.981 1.00 0.00 C ATOM 482 CG LYS A 30 -10.217 15.715 -15.052 1.00 0.00 C ATOM 483 CD LYS A 30 -10.626 17.064 -15.654 1.00 0.00 C ATOM 484 CE LYS A 30 -11.588 17.788 -14.702 1.00 0.00 C ATOM 485 NZ LYS A 30 -12.035 19.096 -15.242 1.00 0.00 N ATOM 0 H LYS A 30 -7.380 13.732 -16.915 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.360 13.892 -14.326 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.415 15.603 -16.239 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.766 14.712 -16.912 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.106 15.109 -14.874 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.741 15.875 -14.085 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.742 17.678 -15.829 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.104 16.911 -16.622 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.457 17.157 -14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.097 17.942 -13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.683 19.548 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.209 19.710 -15.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.527 18.948 -16.146 1.00 0.00 H new ATOM 499 N GLU A 31 -10.110 11.828 -16.187 1.00 0.00 N ATOM 500 CA GLU A 31 -11.184 10.840 -16.155 1.00 0.00 C ATOM 501 C GLU A 31 -10.591 9.442 -15.986 1.00 0.00 C ATOM 502 O GLU A 31 -11.088 8.648 -15.185 1.00 0.00 O ATOM 503 CB GLU A 31 -12.019 10.933 -17.441 1.00 0.00 C ATOM 504 CG GLU A 31 -12.772 12.268 -17.551 1.00 0.00 C ATOM 505 CD GLU A 31 -13.666 12.309 -18.802 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.851 11.908 -18.725 1.00 0.00 O ATOM 507 OE2 GLU A 31 -13.206 12.761 -19.875 1.00 0.00 O ATOM 0 H GLU A 31 -9.581 11.835 -17.059 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.840 11.041 -15.308 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.366 10.814 -18.305 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.735 10.111 -17.467 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.383 12.417 -16.661 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.056 13.089 -17.587 1.00 0.00 H new ATOM 514 N ARG A 32 -9.495 9.144 -16.695 1.00 0.00 N ATOM 515 CA ARG A 32 -8.899 7.808 -16.703 1.00 0.00 C ATOM 516 C ARG A 32 -8.306 7.411 -15.353 1.00 0.00 C ATOM 517 O ARG A 32 -8.059 6.222 -15.144 1.00 0.00 O ATOM 518 CB ARG A 32 -7.853 7.705 -17.819 1.00 0.00 C ATOM 519 CG ARG A 32 -8.492 7.739 -19.215 1.00 0.00 C ATOM 520 CD ARG A 32 -7.420 7.565 -20.297 1.00 0.00 C ATOM 521 NE ARG A 32 -7.997 7.620 -21.648 1.00 0.00 N ATOM 522 CZ ARG A 32 -8.518 6.617 -22.359 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.608 5.382 -21.869 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.946 6.899 -23.581 1.00 0.00 N ATOM 0 H ARG A 32 -9.000 9.821 -17.276 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.703 7.098 -16.899 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.142 8.526 -17.726 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.288 6.780 -17.702 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.236 6.947 -19.301 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.014 8.685 -19.360 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.666 8.345 -20.191 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.913 6.611 -20.157 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.000 8.536 -22.097 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.274 5.182 -20.926 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.011 4.636 -22.436 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.870 7.850 -23.941 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.352 6.165 -24.161 1.00 0.00 H new ATOM 538 N ILE A 33 -8.111 8.348 -14.419 1.00 0.00 N ATOM 539 CA ILE A 33 -7.737 8.020 -13.048 1.00 0.00 C ATOM 540 C ILE A 33 -8.695 6.986 -12.444 1.00 0.00 C ATOM 541 O ILE A 33 -8.229 6.085 -11.754 1.00 0.00 O ATOM 542 CB ILE A 33 -7.618 9.301 -12.187 1.00 0.00 C ATOM 543 CG1 ILE A 33 -7.133 9.017 -10.746 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.932 10.112 -12.131 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.751 8.355 -10.669 1.00 0.00 C ATOM 0 H ILE A 33 -8.208 9.348 -14.595 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.751 7.556 -13.060 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.862 9.900 -12.694 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.106 9.955 -10.192 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.860 8.374 -10.249 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.787 10.998 -11.513 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.216 10.415 -13.139 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.722 9.496 -11.701 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.484 8.190 -9.625 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.776 7.399 -11.193 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.010 9.005 -11.134 1.00 0.00 H new ATOM 557 N ALA A 34 -10.004 7.067 -12.724 1.00 0.00 N ATOM 558 CA ALA A 34 -10.985 6.172 -12.118 1.00 0.00 C ATOM 559 C ALA A 34 -10.733 4.718 -12.532 1.00 0.00 C ATOM 560 O ALA A 34 -10.794 3.817 -11.695 1.00 0.00 O ATOM 561 CB ALA A 34 -12.399 6.612 -12.513 1.00 0.00 C ATOM 0 H ALA A 34 -10.403 7.748 -13.370 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.886 6.228 -11.034 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.129 5.942 -12.059 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.574 7.630 -12.164 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.501 6.578 -13.598 1.00 0.00 H new ATOM 567 N THR A 35 -10.433 4.489 -13.812 1.00 0.00 N ATOM 568 CA THR A 35 -10.095 3.173 -14.336 1.00 0.00 C ATOM 569 C THR A 35 -8.700 2.730 -13.868 1.00 0.00 C ATOM 570 O THR A 35 -8.496 1.545 -13.597 1.00 0.00 O ATOM 571 CB THR A 35 -10.219 3.195 -15.876 1.00 0.00 C ATOM 572 OG1 THR A 35 -9.897 4.463 -16.429 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.662 2.901 -16.300 1.00 0.00 C ATOM 0 H THR A 35 -10.419 5.224 -14.519 1.00 0.00 H new ATOM 0 HA THR A 35 -10.794 2.434 -13.946 1.00 0.00 H new ATOM 0 HB THR A 35 -9.521 2.440 -16.239 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.142 4.851 -15.940 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.733 2.920 -17.388 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.955 1.917 -15.935 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.326 3.657 -15.880 1.00 0.00 H new ATOM 581 N ALA A 36 -7.746 3.663 -13.747 1.00 0.00 N ATOM 582 CA ALA A 36 -6.377 3.356 -13.354 1.00 0.00 C ATOM 583 C ALA A 36 -6.297 2.924 -11.887 1.00 0.00 C ATOM 584 O ALA A 36 -5.635 1.934 -11.573 1.00 0.00 O ATOM 585 CB ALA A 36 -5.496 4.588 -13.584 1.00 0.00 C ATOM 0 H ALA A 36 -7.910 4.655 -13.921 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.023 2.525 -13.964 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.471 4.362 -13.291 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.520 4.861 -14.639 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.869 5.419 -12.986 1.00 0.00 H new ATOM 591 N VAL A 37 -6.962 3.665 -10.997 1.00 0.00 N ATOM 592 CA VAL A 37 -6.868 3.522 -9.551 1.00 0.00 C ATOM 593 C VAL A 37 -8.273 3.791 -8.981 1.00 0.00 C ATOM 594 O VAL A 37 -8.683 4.951 -8.897 1.00 0.00 O ATOM 595 CB VAL A 37 -5.788 4.450 -8.959 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.482 4.035 -7.514 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.464 4.470 -9.744 1.00 0.00 C ATOM 0 H VAL A 37 -7.603 4.407 -11.279 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.550 2.516 -9.276 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.208 5.454 -9.015 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.718 4.694 -7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.389 4.109 -6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.121 3.007 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.763 5.148 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.040 3.466 -9.768 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.650 4.810 -10.763 1.00 0.00 H new ATOM 607 N PRO A 38 -9.042 2.745 -8.620 1.00 0.00 N ATOM 608 CA PRO A 38 -10.411 2.881 -8.123 1.00 0.00 C ATOM 609 C PRO A 38 -10.586 3.807 -6.909 1.00 0.00 C ATOM 610 O PRO A 38 -11.693 4.304 -6.688 1.00 0.00 O ATOM 611 CB PRO A 38 -10.869 1.460 -7.786 1.00 0.00 C ATOM 612 CG PRO A 38 -10.049 0.589 -8.733 1.00 0.00 C ATOM 613 CD PRO A 38 -8.721 1.337 -8.818 1.00 0.00 C ATOM 0 HA PRO A 38 -11.012 3.363 -8.894 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.674 1.212 -6.743 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.939 1.334 -7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.920 -0.421 -8.344 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.524 0.496 -9.710 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.025 0.984 -8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.244 1.177 -9.785 1.00 0.00 H new ATOM 621 N ASP A 39 -9.534 4.044 -6.115 1.00 0.00 N ATOM 622 CA ASP A 39 -9.578 4.880 -4.917 1.00 0.00 C ATOM 623 C ASP A 39 -8.253 5.629 -4.789 1.00 0.00 C ATOM 624 O ASP A 39 -7.199 5.012 -4.629 1.00 0.00 O ATOM 625 CB ASP A 39 -9.842 4.003 -3.682 1.00 0.00 C ATOM 626 CG ASP A 39 -9.898 4.797 -2.364 1.00 0.00 C ATOM 627 OD1 ASP A 39 -9.731 6.036 -2.368 1.00 0.00 O ATOM 628 OD2 ASP A 39 -10.125 4.164 -1.308 1.00 0.00 O ATOM 0 H ASP A 39 -8.611 3.650 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.387 5.607 -4.992 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.785 3.473 -3.818 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.059 3.248 -3.609 1.00 0.00 H new ATOM 633 N LYS A 40 -8.301 6.964 -4.866 1.00 0.00 N ATOM 634 CA LYS A 40 -7.127 7.844 -4.814 1.00 0.00 C ATOM 635 C LYS A 40 -6.423 7.830 -3.447 1.00 0.00 C ATOM 636 O LYS A 40 -5.389 8.488 -3.299 1.00 0.00 O ATOM 637 CB LYS A 40 -7.517 9.283 -5.205 1.00 0.00 C ATOM 638 CG LYS A 40 -8.276 9.366 -6.541 1.00 0.00 C ATOM 639 CD LYS A 40 -8.449 10.818 -7.014 1.00 0.00 C ATOM 640 CE LYS A 40 -9.419 10.897 -8.204 1.00 0.00 C ATOM 641 NZ LYS A 40 -10.844 10.931 -7.777 1.00 0.00 N ATOM 0 H LYS A 40 -9.178 7.475 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.411 7.453 -5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.136 9.711 -4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.615 9.892 -5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.737 8.799 -7.300 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.256 8.901 -6.431 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.824 11.430 -6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.481 11.229 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.198 11.789 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.259 10.039 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.453 10.679 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.991 10.250 -7.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.085 11.887 -7.446 1.00 0.00 H new ATOM 655 N ASN A 41 -6.976 7.126 -2.452 1.00 0.00 N ATOM 656 CA ASN A 41 -6.297 6.862 -1.189 1.00 0.00 C ATOM 657 C ASN A 41 -5.147 5.872 -1.379 1.00 0.00 C ATOM 658 O ASN A 41 -4.228 5.855 -0.561 1.00 0.00 O ATOM 659 CB ASN A 41 -7.286 6.320 -0.151 1.00 0.00 C ATOM 660 CG ASN A 41 -6.617 6.108 1.203 1.00 0.00 C ATOM 661 OD1 ASN A 41 -6.047 7.029 1.778 1.00 0.00 O ATOM 662 ND2 ASN A 41 -6.669 4.902 1.747 1.00 0.00 N ATOM 0 H ASN A 41 -7.912 6.724 -2.506 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.884 7.804 -0.829 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.118 7.016 -0.042 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.704 5.377 -0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.232 4.732 2.653 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.146 4.143 1.260 1.00 0.00 H new ATOM 669 N ASP A 42 -5.177 5.038 -2.423 1.00 0.00 N ATOM 670 CA ASP A 42 -4.008 4.244 -2.796 1.00 0.00 C ATOM 671 C ASP A 42 -2.949 5.180 -3.387 1.00 0.00 C ATOM 672 O ASP A 42 -3.296 6.214 -3.961 1.00 0.00 O ATOM 673 CB ASP A 42 -4.384 3.165 -3.812 1.00 0.00 C ATOM 674 CG ASP A 42 -3.189 2.241 -4.052 1.00 0.00 C ATOM 675 OD1 ASP A 42 -2.761 1.585 -3.076 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.689 2.172 -5.194 1.00 0.00 O ATOM 0 H ASP A 42 -5.993 4.897 -3.019 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.613 3.745 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.234 2.588 -3.446 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.692 3.627 -4.750 1.00 0.00 H new ATOM 681 N THR A 43 -1.664 4.859 -3.239 1.00 0.00 N ATOM 682 CA THR A 43 -0.591 5.755 -3.656 1.00 0.00 C ATOM 683 C THR A 43 -0.567 5.844 -5.189 1.00 0.00 C ATOM 684 O THR A 43 -0.505 4.810 -5.858 1.00 0.00 O ATOM 685 CB THR A 43 0.763 5.259 -3.112 1.00 0.00 C ATOM 686 OG1 THR A 43 0.636 4.606 -1.860 1.00 0.00 O ATOM 687 CG2 THR A 43 1.761 6.412 -2.969 1.00 0.00 C ATOM 0 H THR A 43 -1.342 3.981 -2.832 1.00 0.00 H new ATOM 0 HA THR A 43 -0.771 6.750 -3.249 1.00 0.00 H new ATOM 0 HB THR A 43 1.134 4.540 -3.842 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.519 3.644 -2.003 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.706 6.030 -2.583 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.927 6.873 -3.943 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.362 7.155 -2.279 1.00 0.00 H new ATOM 695 N VAL A 44 -0.538 7.052 -5.757 1.00 0.00 N ATOM 696 CA VAL A 44 -0.439 7.253 -7.201 1.00 0.00 C ATOM 697 C VAL A 44 0.755 8.168 -7.450 1.00 0.00 C ATOM 698 O VAL A 44 0.921 9.172 -6.755 1.00 0.00 O ATOM 699 CB VAL A 44 -1.745 7.825 -7.790 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.752 7.718 -9.323 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.003 7.132 -7.246 1.00 0.00 C ATOM 0 H VAL A 44 -0.583 7.921 -5.224 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.289 6.300 -7.708 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.772 8.871 -7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.684 8.128 -9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.911 8.278 -9.731 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.667 6.671 -9.615 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.889 7.579 -7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.968 6.070 -7.490 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.047 7.255 -6.164 1.00 0.00 H new ATOM 711 N LYS A 45 1.593 7.821 -8.427 1.00 0.00 N ATOM 712 CA LYS A 45 2.877 8.470 -8.672 1.00 0.00 C ATOM 713 C LYS A 45 2.948 8.846 -10.143 1.00 0.00 C ATOM 714 O LYS A 45 3.397 8.054 -10.974 1.00 0.00 O ATOM 715 CB LYS A 45 4.024 7.554 -8.209 1.00 0.00 C ATOM 716 CG LYS A 45 4.168 7.600 -6.680 1.00 0.00 C ATOM 717 CD LYS A 45 5.336 6.735 -6.200 1.00 0.00 C ATOM 718 CE LYS A 45 5.522 6.905 -4.687 1.00 0.00 C ATOM 719 NZ LYS A 45 6.581 6.018 -4.154 1.00 0.00 N ATOM 0 H LYS A 45 1.392 7.066 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 45 2.979 9.388 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.832 6.531 -8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.958 7.866 -8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.321 8.630 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.244 7.255 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.146 5.688 -6.437 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.250 7.019 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.774 7.942 -4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.581 6.691 -4.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.768 6.259 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.269 5.028 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.451 6.143 -4.710 1.00 0.00 H new ATOM 733 N VAL A 46 2.425 10.022 -10.478 1.00 0.00 N ATOM 734 CA VAL A 46 2.496 10.534 -11.841 1.00 0.00 C ATOM 735 C VAL A 46 3.939 10.996 -12.105 1.00 0.00 C ATOM 736 O VAL A 46 4.588 11.520 -11.196 1.00 0.00 O ATOM 737 CB VAL A 46 1.426 11.627 -12.073 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.008 11.044 -11.947 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.504 12.832 -11.125 1.00 0.00 C ATOM 0 H VAL A 46 1.946 10.639 -9.822 1.00 0.00 H new ATOM 0 HA VAL A 46 2.261 9.757 -12.568 1.00 0.00 H new ATOM 0 HB VAL A 46 1.639 11.984 -13.081 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.726 11.832 -12.114 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.129 10.257 -12.689 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.127 10.629 -10.948 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.712 13.540 -11.370 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.383 12.494 -10.096 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.473 13.319 -11.235 1.00 0.00 H new ATOM 749 N TYR A 47 4.440 10.817 -13.330 1.00 0.00 N ATOM 750 CA TYR A 47 5.721 11.335 -13.809 1.00 0.00 C ATOM 751 C TYR A 47 5.624 11.537 -15.329 1.00 0.00 C ATOM 752 O TYR A 47 4.718 11.000 -15.978 1.00 0.00 O ATOM 753 CB TYR A 47 6.881 10.390 -13.444 1.00 0.00 C ATOM 754 CG TYR A 47 6.894 9.114 -14.254 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.015 8.064 -13.939 1.00 0.00 C ATOM 756 CD2 TYR A 47 7.738 9.019 -15.374 1.00 0.00 C ATOM 757 CE1 TYR A 47 5.956 6.930 -14.763 1.00 0.00 C ATOM 758 CE2 TYR A 47 7.690 7.883 -16.194 1.00 0.00 C ATOM 759 CZ TYR A 47 6.793 6.838 -15.897 1.00 0.00 C ATOM 760 OH TYR A 47 6.752 5.755 -16.719 1.00 0.00 O ATOM 0 H TYR A 47 3.942 10.285 -14.044 1.00 0.00 H new ATOM 0 HA TYR A 47 5.933 12.288 -13.325 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.826 10.914 -13.590 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.816 10.139 -12.385 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.386 8.130 -13.064 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.424 9.821 -15.603 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.271 6.128 -14.530 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.340 7.809 -17.053 1.00 0.00 H new ATOM 0 HH TYR A 47 7.208 5.965 -17.560 1.00 0.00 H new ATOM 770 N CYS A 48 6.551 12.305 -15.906 1.00 0.00 N ATOM 771 CA CYS A 48 6.642 12.553 -17.344 1.00 0.00 C ATOM 772 C CYS A 48 8.082 12.931 -17.698 1.00 0.00 C ATOM 773 O CYS A 48 8.868 13.235 -16.805 1.00 0.00 O ATOM 774 CB CYS A 48 5.688 13.697 -17.722 1.00 0.00 C ATOM 775 SG CYS A 48 6.193 15.228 -16.894 1.00 0.00 S ATOM 0 H CYS A 48 7.277 12.783 -15.372 1.00 0.00 H new ATOM 0 HA CYS A 48 6.361 11.656 -17.896 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.690 13.841 -18.802 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.668 13.440 -17.437 1.00 0.00 H new ATOM 0 HG CYS A 48 6.097 15.077 -15.606 1.00 0.00 H new ATOM 781 N ASN A 49 8.424 13.010 -18.984 1.00 0.00 N ATOM 782 CA ASN A 49 9.770 13.344 -19.473 1.00 0.00 C ATOM 783 C ASN A 49 10.364 14.666 -18.945 1.00 0.00 C ATOM 784 O ASN A 49 11.570 14.864 -19.077 1.00 0.00 O ATOM 785 CB ASN A 49 9.783 13.330 -21.012 1.00 0.00 C ATOM 786 CG ASN A 49 11.205 13.331 -21.576 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.044 12.527 -21.181 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.504 14.207 -22.523 1.00 0.00 N ATOM 0 H ASN A 49 7.758 12.840 -19.738 1.00 0.00 H new ATOM 0 HA ASN A 49 10.421 12.569 -19.067 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.252 12.448 -21.370 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.244 14.201 -21.386 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.439 14.218 -22.931 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.800 14.871 -22.844 1.00 0.00 H new ATOM 795 N ALA A 50 9.564 15.563 -18.350 1.00 0.00 N ATOM 796 CA ALA A 50 10.014 16.886 -17.908 1.00 0.00 C ATOM 797 C ALA A 50 9.638 17.227 -16.454 1.00 0.00 C ATOM 798 O ALA A 50 9.989 18.309 -15.985 1.00 0.00 O ATOM 799 CB ALA A 50 9.451 17.937 -18.877 1.00 0.00 C ATOM 0 H ALA A 50 8.577 15.386 -18.161 1.00 0.00 H new ATOM 0 HA ALA A 50 11.104 16.883 -17.922 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.775 18.930 -18.565 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.816 17.736 -19.884 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.362 17.892 -18.870 1.00 0.00 H new ATOM 805 N GLY A 51 8.899 16.368 -15.742 1.00 0.00 N ATOM 806 CA GLY A 51 8.394 16.602 -14.383 1.00 0.00 C ATOM 807 C GLY A 51 7.263 17.638 -14.303 1.00 0.00 C ATOM 808 O GLY A 51 6.390 17.536 -13.441 1.00 0.00 O ATOM 0 H GLY A 51 8.626 15.457 -16.110 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.037 15.658 -13.972 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.219 16.932 -13.752 1.00 0.00 H new ATOM 812 N ARG A 52 7.244 18.627 -15.203 1.00 0.00 N ATOM 813 CA ARG A 52 6.245 19.690 -15.240 1.00 0.00 C ATOM 814 C ARG A 52 4.859 19.143 -15.547 1.00 0.00 C ATOM 815 O ARG A 52 3.909 19.487 -14.852 1.00 0.00 O ATOM 816 CB ARG A 52 6.682 20.750 -16.273 1.00 0.00 C ATOM 817 CG ARG A 52 5.641 21.849 -16.565 1.00 0.00 C ATOM 818 CD ARG A 52 5.156 22.623 -15.328 1.00 0.00 C ATOM 819 NE ARG A 52 6.260 23.291 -14.614 1.00 0.00 N ATOM 820 CZ ARG A 52 6.232 23.706 -13.339 1.00 0.00 C ATOM 821 NH1 ARG A 52 5.138 23.546 -12.596 1.00 0.00 N ATOM 822 NH2 ARG A 52 7.306 24.284 -12.812 1.00 0.00 N ATOM 0 H ARG A 52 7.942 18.709 -15.942 1.00 0.00 H new ATOM 0 HA ARG A 52 6.179 20.156 -14.257 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.598 21.224 -15.919 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.926 20.245 -17.208 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.070 22.557 -17.274 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.779 21.393 -17.052 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.421 23.368 -15.634 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.650 21.937 -14.649 1.00 0.00 H new ATOM 0 HE ARG A 52 7.121 23.452 -15.136 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.310 23.104 -12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.128 23.866 -11.627 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.146 24.410 -13.377 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.290 24.602 -11.843 1.00 0.00 H new ATOM 836 N GLN A 53 4.717 18.324 -16.590 1.00 0.00 N ATOM 837 CA GLN A 53 3.406 17.845 -17.025 1.00 0.00 C ATOM 838 C GLN A 53 2.800 16.904 -15.978 1.00 0.00 C ATOM 839 O GLN A 53 1.586 16.910 -15.791 1.00 0.00 O ATOM 840 CB GLN A 53 3.499 17.183 -18.409 1.00 0.00 C ATOM 841 CG GLN A 53 3.973 18.149 -19.508 1.00 0.00 C ATOM 842 CD GLN A 53 4.124 17.434 -20.849 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.198 16.944 -21.191 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.062 17.340 -21.634 1.00 0.00 N ATOM 0 H GLN A 53 5.496 17.978 -17.150 1.00 0.00 H new ATOM 0 HA GLN A 53 2.736 18.700 -17.121 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.185 16.338 -18.356 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.522 16.784 -18.681 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.260 18.967 -19.608 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.927 18.591 -19.220 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.174 17.749 -21.342 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.131 16.858 -22.530 1.00 0.00 H new ATOM 853 N SER A 54 3.610 16.149 -15.233 1.00 0.00 N ATOM 854 CA SER A 54 3.123 15.389 -14.092 1.00 0.00 C ATOM 855 C SER A 54 2.763 16.309 -12.925 1.00 0.00 C ATOM 856 O SER A 54 1.809 16.024 -12.204 1.00 0.00 O ATOM 857 CB SER A 54 4.126 14.296 -13.733 1.00 0.00 C ATOM 858 OG SER A 54 5.468 14.729 -13.852 1.00 0.00 O ATOM 0 H SER A 54 4.611 16.051 -15.405 1.00 0.00 H new ATOM 0 HA SER A 54 2.192 14.887 -14.356 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.945 13.963 -12.711 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.967 13.435 -14.382 1.00 0.00 H new ATOM 0 HG SER A 54 5.870 14.797 -12.961 1.00 0.00 H new ATOM 864 N GLY A 55 3.446 17.446 -12.779 1.00 0.00 N ATOM 865 CA GLY A 55 3.036 18.518 -11.885 1.00 0.00 C ATOM 866 C GLY A 55 1.613 18.971 -12.228 1.00 0.00 C ATOM 867 O GLY A 55 0.745 19.002 -11.355 1.00 0.00 O ATOM 0 H GLY A 55 4.308 17.646 -13.286 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.078 18.176 -10.851 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.725 19.358 -11.972 1.00 0.00 H new ATOM 871 N GLN A 56 1.337 19.231 -13.511 1.00 0.00 N ATOM 872 CA GLN A 56 -0.001 19.597 -13.973 1.00 0.00 C ATOM 873 C GLN A 56 -1.006 18.479 -13.695 1.00 0.00 C ATOM 874 O GLN A 56 -2.098 18.755 -13.203 1.00 0.00 O ATOM 875 CB GLN A 56 -0.017 19.906 -15.474 1.00 0.00 C ATOM 876 CG GLN A 56 0.918 21.051 -15.890 1.00 0.00 C ATOM 877 CD GLN A 56 0.682 21.487 -17.340 1.00 0.00 C ATOM 878 OE1 GLN A 56 -0.430 21.827 -17.736 1.00 0.00 O ATOM 879 NE2 GLN A 56 1.714 21.494 -18.171 1.00 0.00 N ATOM 0 H GLN A 56 2.035 19.193 -14.254 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.285 20.492 -13.420 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.262 19.006 -16.022 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.035 20.157 -15.771 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.766 21.902 -15.226 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.954 20.734 -15.771 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.637 21.211 -17.841 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.586 21.782 -19.141 1.00 0.00 H new ATOM 888 N ALA A 57 -0.649 17.220 -13.972 1.00 0.00 N ATOM 889 CA ALA A 57 -1.531 16.090 -13.699 1.00 0.00 C ATOM 890 C ALA A 57 -1.867 16.019 -12.212 1.00 0.00 C ATOM 891 O ALA A 57 -2.996 15.695 -11.852 1.00 0.00 O ATOM 892 CB ALA A 57 -0.898 14.775 -14.162 1.00 0.00 C ATOM 0 H ALA A 57 0.247 16.962 -14.386 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.453 16.241 -14.260 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.576 13.949 -13.947 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.710 14.820 -15.235 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.043 14.619 -13.635 1.00 0.00 H new ATOM 898 N LYS A 58 -0.914 16.356 -11.342 1.00 0.00 N ATOM 899 CA LYS A 58 -1.166 16.353 -9.905 1.00 0.00 C ATOM 900 C LYS A 58 -2.162 17.456 -9.565 1.00 0.00 C ATOM 901 O LYS A 58 -3.056 17.218 -8.757 1.00 0.00 O ATOM 902 CB LYS A 58 0.155 16.429 -9.114 1.00 0.00 C ATOM 903 CG LYS A 58 -0.039 16.186 -7.605 1.00 0.00 C ATOM 904 CD LYS A 58 -0.319 17.471 -6.809 1.00 0.00 C ATOM 905 CE LYS A 58 -0.875 17.127 -5.422 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.397 18.330 -4.729 1.00 0.00 N ATOM 0 H LYS A 58 0.032 16.632 -11.607 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.623 15.411 -9.602 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.853 15.691 -9.510 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.608 17.409 -9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.866 15.491 -7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.854 15.707 -7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.598 18.051 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.032 18.094 -7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.671 16.389 -5.521 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.091 16.670 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.687 18.076 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.654 19.057 -4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.217 18.702 -5.250 1.00 0.00 H new ATOM 920 N GLU A 59 -2.061 18.638 -10.173 1.00 0.00 N ATOM 921 CA GLU A 59 -3.021 19.715 -9.944 1.00 0.00 C ATOM 922 C GLU A 59 -4.420 19.313 -10.433 1.00 0.00 C ATOM 923 O GLU A 59 -5.393 19.545 -9.714 1.00 0.00 O ATOM 924 CB GLU A 59 -2.555 21.021 -10.610 1.00 0.00 C ATOM 925 CG GLU A 59 -1.299 21.628 -9.964 1.00 0.00 C ATOM 926 CD GLU A 59 -1.539 22.085 -8.513 1.00 0.00 C ATOM 927 OE1 GLU A 59 -2.123 23.172 -8.303 1.00 0.00 O ATOM 928 OE2 GLU A 59 -1.126 21.375 -7.569 1.00 0.00 O ATOM 0 H GLU A 59 -1.319 18.874 -10.832 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.079 19.892 -8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.355 20.830 -11.664 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.364 21.750 -10.566 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.495 20.892 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.965 22.479 -10.558 1.00 0.00 H new ATOM 935 N ILE A 60 -4.535 18.653 -11.595 1.00 0.00 N ATOM 936 CA ILE A 60 -5.808 18.102 -12.076 1.00 0.00 C ATOM 937 C ILE A 60 -6.365 17.161 -11.007 1.00 0.00 C ATOM 938 O ILE A 60 -7.511 17.300 -10.581 1.00 0.00 O ATOM 939 CB ILE A 60 -5.625 17.373 -13.436 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.289 18.368 -14.568 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.872 16.557 -13.830 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.974 17.681 -15.906 1.00 0.00 C ATOM 0 H ILE A 60 -3.750 18.487 -12.225 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.517 18.912 -12.249 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.790 16.685 -13.302 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.129 19.049 -14.706 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.434 18.974 -14.268 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.698 16.065 -14.787 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.071 15.805 -13.066 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.731 17.223 -13.915 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.747 18.436 -16.658 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.115 17.021 -15.783 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.837 17.097 -16.227 1.00 0.00 H new ATOM 954 N LEU A 61 -5.559 16.195 -10.562 1.00 0.00 N ATOM 955 CA LEU A 61 -6.030 15.165 -9.649 1.00 0.00 C ATOM 956 C LEU A 61 -6.319 15.728 -8.257 1.00 0.00 C ATOM 957 O LEU A 61 -7.158 15.174 -7.547 1.00 0.00 O ATOM 958 CB LEU A 61 -5.054 13.977 -9.630 1.00 0.00 C ATOM 959 CG LEU A 61 -5.007 13.207 -10.975 1.00 0.00 C ATOM 960 CD1 LEU A 61 -4.058 12.007 -10.885 1.00 0.00 C ATOM 961 CD2 LEU A 61 -6.388 12.722 -11.434 1.00 0.00 C ATOM 0 H LEU A 61 -4.577 16.109 -10.823 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.985 14.788 -10.015 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.054 14.340 -9.391 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.343 13.290 -8.835 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.640 13.918 -11.715 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.042 11.483 -11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.053 12.355 -10.645 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.403 11.328 -10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.291 12.190 -12.381 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.807 12.052 -10.683 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.049 13.578 -11.565 1.00 0.00 H new ATOM 973 N SER A 62 -5.710 16.856 -7.886 1.00 0.00 N ATOM 974 CA SER A 62 -6.053 17.567 -6.665 1.00 0.00 C ATOM 975 C SER A 62 -7.501 18.059 -6.731 1.00 0.00 C ATOM 976 O SER A 62 -8.257 17.851 -5.780 1.00 0.00 O ATOM 977 CB SER A 62 -5.075 18.720 -6.412 1.00 0.00 C ATOM 978 OG SER A 62 -3.738 18.246 -6.365 1.00 0.00 O ATOM 0 H SER A 62 -4.966 17.297 -8.427 1.00 0.00 H new ATOM 0 HA SER A 62 -5.968 16.881 -5.822 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.174 19.466 -7.201 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.324 19.214 -5.473 1.00 0.00 H new ATOM 0 HG SER A 62 -3.396 18.140 -7.277 1.00 0.00 H new ATOM 984 N GLU A 63 -7.927 18.628 -7.865 1.00 0.00 N ATOM 985 CA GLU A 63 -9.312 19.053 -8.062 1.00 0.00 C ATOM 986 C GLU A 63 -10.255 17.841 -8.112 1.00 0.00 C ATOM 987 O GLU A 63 -11.407 17.944 -7.688 1.00 0.00 O ATOM 988 CB GLU A 63 -9.444 19.899 -9.341 1.00 0.00 C ATOM 989 CG GLU A 63 -8.685 21.236 -9.282 1.00 0.00 C ATOM 990 CD GLU A 63 -9.256 22.194 -8.220 1.00 0.00 C ATOM 991 OE1 GLU A 63 -10.278 22.867 -8.488 1.00 0.00 O ATOM 992 OE2 GLU A 63 -8.682 22.304 -7.114 1.00 0.00 O ATOM 0 H GLU A 63 -7.322 18.805 -8.667 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.601 19.671 -7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.076 19.320 -10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.499 20.099 -9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.634 21.044 -9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.726 21.717 -10.259 1.00 0.00 H new ATOM 999 N MET A 64 -9.766 16.679 -8.562 1.00 0.00 N ATOM 1000 CA MET A 64 -10.499 15.410 -8.529 1.00 0.00 C ATOM 1001 C MET A 64 -10.533 14.778 -7.123 1.00 0.00 C ATOM 1002 O MET A 64 -11.013 13.650 -6.981 1.00 0.00 O ATOM 1003 CB MET A 64 -9.923 14.423 -9.561 1.00 0.00 C ATOM 1004 CG MET A 64 -10.022 14.906 -11.015 1.00 0.00 C ATOM 1005 SD MET A 64 -11.704 15.155 -11.659 1.00 0.00 S ATOM 1006 CE MET A 64 -12.371 13.472 -11.511 1.00 0.00 C ATOM 0 H MET A 64 -8.833 16.594 -8.966 1.00 0.00 H new ATOM 0 HA MET A 64 -11.532 15.634 -8.795 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.876 14.235 -9.323 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.447 13.472 -9.469 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.478 15.846 -11.102 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.513 14.183 -11.653 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.244 13.369 -12.155 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.611 12.751 -11.812 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.659 13.284 -10.477 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.045 15.458 -6.079 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.226 15.025 -4.698 1.00 0.00 C ATOM 1018 C GLY A 65 -9.209 13.965 -4.279 1.00 0.00 C ATOM 1019 O GLY A 65 -9.582 12.971 -3.652 1.00 0.00 O ATOM 0 H GLY A 65 -9.514 16.324 -6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.141 15.887 -4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.233 14.627 -4.575 1.00 0.00 H new ATOM 1023 N TYR A 66 -7.940 14.144 -4.661 1.00 0.00 N ATOM 1024 CA TYR A 66 -6.836 13.277 -4.253 1.00 0.00 C ATOM 1025 C TYR A 66 -6.722 13.091 -2.731 1.00 0.00 C ATOM 1026 O TYR A 66 -7.190 13.921 -1.947 1.00 0.00 O ATOM 1027 CB TYR A 66 -5.499 13.815 -4.794 1.00 0.00 C ATOM 1028 CG TYR A 66 -4.801 14.908 -3.987 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -5.490 16.051 -3.528 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -3.429 14.775 -3.694 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -4.811 17.067 -2.832 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -2.746 15.774 -2.983 1.00 0.00 C ATOM 1033 CZ TYR A 66 -3.430 16.936 -2.567 1.00 0.00 C ATOM 1034 OH TYR A 66 -2.730 17.937 -1.964 1.00 0.00 O ATOM 0 H TYR A 66 -7.650 14.908 -5.272 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.059 12.299 -4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -4.811 12.975 -4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.673 14.198 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -6.550 16.146 -3.713 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -2.897 13.894 -4.020 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.345 17.946 -2.501 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.697 15.653 -2.754 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.852 17.601 -1.686 1.00 0.00 H new ATOM 1044 N THR A 67 -5.998 12.041 -2.332 1.00 0.00 N ATOM 1045 CA THR A 67 -5.559 11.812 -0.959 1.00 0.00 C ATOM 1046 C THR A 67 -4.092 11.353 -0.929 1.00 0.00 C ATOM 1047 O THR A 67 -3.333 11.883 -0.116 1.00 0.00 O ATOM 1048 CB THR A 67 -6.510 10.836 -0.234 1.00 0.00 C ATOM 1049 OG1 THR A 67 -7.128 9.937 -1.133 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.634 11.578 0.488 1.00 0.00 C ATOM 0 H THR A 67 -5.695 11.309 -2.975 1.00 0.00 H new ATOM 0 HA THR A 67 -5.604 12.753 -0.410 1.00 0.00 H new ATOM 0 HB THR A 67 -5.885 10.295 0.477 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.721 9.334 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.283 10.858 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.207 12.255 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.215 12.151 -0.235 1.00 0.00 H new ATOM 1058 N HIS A 68 -3.646 10.476 -1.848 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.246 10.029 -1.931 1.00 0.00 C ATOM 1060 C HIS A 68 -1.714 10.021 -3.375 1.00 0.00 C ATOM 1061 O HIS A 68 -0.894 9.179 -3.747 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.067 8.677 -1.212 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.296 8.732 0.281 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -3.135 7.919 1.006 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -1.676 9.562 1.178 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -3.040 8.258 2.301 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -2.156 9.261 2.462 1.00 0.00 N ATOM 0 H HIS A 68 -4.250 10.057 -2.555 1.00 0.00 H new ATOM 0 HA HIS A 68 -1.629 10.759 -1.407 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.756 7.953 -1.647 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.058 8.309 -1.400 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -3.729 7.183 0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.943 10.318 0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.595 7.792 3.102 1.00 0.00 H new ATOM 1075 N VAL A 69 -2.180 10.958 -4.203 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.568 11.225 -5.506 1.00 0.00 C ATOM 1077 C VAL A 69 -0.370 12.150 -5.246 1.00 0.00 C ATOM 1078 O VAL A 69 -0.471 13.073 -4.434 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.587 11.872 -6.471 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.983 12.114 -7.860 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.866 11.029 -6.640 1.00 0.00 C ATOM 0 H VAL A 69 -2.985 11.548 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.241 10.302 -5.985 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.850 12.824 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.732 12.570 -8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.125 12.780 -7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.663 11.164 -8.288 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.545 11.532 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.606 10.049 -7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.353 10.909 -5.672 1.00 0.00 H new ATOM 1091 N GLU A 70 0.747 11.945 -5.944 1.00 0.00 N ATOM 1092 CA GLU A 70 1.938 12.776 -5.840 1.00 0.00 C ATOM 1093 C GLU A 70 2.629 12.826 -7.208 1.00 0.00 C ATOM 1094 O GLU A 70 2.638 11.830 -7.938 1.00 0.00 O ATOM 1095 CB GLU A 70 2.852 12.173 -4.757 1.00 0.00 C ATOM 1096 CG GLU A 70 4.110 13.010 -4.494 1.00 0.00 C ATOM 1097 CD GLU A 70 4.903 12.477 -3.287 1.00 0.00 C ATOM 1098 OE1 GLU A 70 5.753 11.574 -3.460 1.00 0.00 O ATOM 1099 OE2 GLU A 70 4.701 12.971 -2.154 1.00 0.00 O ATOM 0 H GLU A 70 0.847 11.179 -6.611 1.00 0.00 H new ATOM 0 HA GLU A 70 1.689 13.798 -5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.289 12.074 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.148 11.168 -5.059 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.745 13.002 -5.380 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.827 14.047 -4.315 1.00 0.00 H new ATOM 1106 N ASN A 71 3.204 13.981 -7.563 1.00 0.00 N ATOM 1107 CA ASN A 71 4.107 14.073 -8.706 1.00 0.00 C ATOM 1108 C ASN A 71 5.454 13.546 -8.236 1.00 0.00 C ATOM 1109 O ASN A 71 6.132 14.196 -7.436 1.00 0.00 O ATOM 1110 CB ASN A 71 4.255 15.506 -9.236 1.00 0.00 C ATOM 1111 CG ASN A 71 5.298 15.578 -10.355 1.00 0.00 C ATOM 1112 OD1 ASN A 71 5.633 14.587 -10.995 1.00 0.00 O ATOM 1113 ND2 ASN A 71 5.834 16.749 -10.634 1.00 0.00 N ATOM 0 H ASN A 71 3.057 14.863 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 71 3.704 13.491 -9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.294 15.860 -9.608 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.545 16.170 -8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.525 16.829 -11.380 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.558 17.576 -10.104 1.00 0.00 H new ATOM 1120 N ALA A 72 5.816 12.353 -8.698 1.00 0.00 N ATOM 1121 CA ALA A 72 7.042 11.688 -8.298 1.00 0.00 C ATOM 1122 C ALA A 72 8.286 12.453 -8.761 1.00 0.00 C ATOM 1123 O ALA A 72 9.328 12.367 -8.110 1.00 0.00 O ATOM 1124 CB ALA A 72 7.035 10.283 -8.891 1.00 0.00 C ATOM 0 H ALA A 72 5.259 11.820 -9.366 1.00 0.00 H new ATOM 0 HA ALA A 72 7.084 11.647 -7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.948 9.762 -8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.171 9.734 -8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.980 10.347 -9.978 1.00 0.00 H new ATOM 1130 N GLY A 73 8.189 13.181 -9.875 1.00 0.00 N ATOM 1131 CA GLY A 73 9.302 13.860 -10.513 1.00 0.00 C ATOM 1132 C GLY A 73 9.215 13.649 -12.016 1.00 0.00 C ATOM 1133 O GLY A 73 8.164 13.273 -12.542 1.00 0.00 O ATOM 0 H GLY A 73 7.305 13.314 -10.367 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.277 14.925 -10.280 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.247 13.473 -10.133 1.00 0.00 H new ATOM 1137 N GLY A 74 10.326 13.879 -12.712 1.00 0.00 N ATOM 1138 CA GLY A 74 10.426 13.556 -14.123 1.00 0.00 C ATOM 1139 C GLY A 74 10.919 12.125 -14.318 1.00 0.00 C ATOM 1140 O GLY A 74 11.550 11.545 -13.435 1.00 0.00 O ATOM 0 H GLY A 74 11.171 14.290 -12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.453 13.678 -14.598 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.109 14.251 -14.612 1.00 0.00 H new ATOM 1144 N LEU A 75 10.712 11.573 -15.515 1.00 0.00 N ATOM 1145 CA LEU A 75 11.300 10.303 -15.955 1.00 0.00 C ATOM 1146 C LEU A 75 12.830 10.368 -15.893 1.00 0.00 C ATOM 1147 O LEU A 75 13.488 9.371 -15.593 1.00 0.00 O ATOM 1148 CB LEU A 75 10.841 10.025 -17.402 1.00 0.00 C ATOM 1149 CG LEU A 75 11.533 8.848 -18.119 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.328 7.508 -17.401 1.00 0.00 C ATOM 1151 CD2 LEU A 75 10.997 8.771 -19.552 1.00 0.00 C ATOM 0 H LEU A 75 10.118 12.005 -16.223 1.00 0.00 H new ATOM 0 HA LEU A 75 10.969 9.500 -15.296 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.767 9.837 -17.391 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.000 10.928 -17.992 1.00 0.00 H new ATOM 0 HG LEU A 75 12.607 9.033 -18.116 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.838 6.718 -17.952 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.737 7.569 -16.393 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.263 7.283 -17.347 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.476 7.943 -20.075 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.919 8.611 -19.529 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.215 9.704 -20.072 1.00 0.00 H new ATOM 1163 N LYS A 76 13.395 11.549 -16.166 1.00 0.00 N ATOM 1164 CA LYS A 76 14.829 11.810 -16.079 1.00 0.00 C ATOM 1165 C LYS A 76 15.331 11.771 -14.631 1.00 0.00 C ATOM 1166 O LYS A 76 16.544 11.717 -14.422 1.00 0.00 O ATOM 1167 CB LYS A 76 15.144 13.181 -16.707 1.00 0.00 C ATOM 1168 CG LYS A 76 14.769 13.261 -18.197 1.00 0.00 C ATOM 1169 CD LYS A 76 15.086 14.651 -18.765 1.00 0.00 C ATOM 1170 CE LYS A 76 14.671 14.727 -20.240 1.00 0.00 C ATOM 1171 NZ LYS A 76 14.953 16.059 -20.830 1.00 0.00 N ATOM 0 H LYS A 76 12.855 12.363 -16.459 1.00 0.00 H new ATOM 0 HA LYS A 76 15.346 11.022 -16.627 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.607 13.956 -16.161 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.208 13.390 -16.594 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.316 12.502 -18.756 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.708 13.046 -18.322 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.560 15.415 -18.192 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.152 14.857 -18.668 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.201 13.961 -20.805 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.607 14.509 -20.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.657 16.067 -21.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.427 16.788 -20.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.972 16.257 -20.770 1.00 0.00 H new ATOM 1185 N ASP A 77 14.436 11.815 -13.638 1.00 0.00 N ATOM 1186 CA ASP A 77 14.786 11.897 -12.224 1.00 0.00 C ATOM 1187 C ASP A 77 14.447 10.601 -11.492 1.00 0.00 C ATOM 1188 O ASP A 77 15.252 10.170 -10.665 1.00 0.00 O ATOM 1189 CB ASP A 77 14.073 13.080 -11.563 1.00 0.00 C ATOM 1190 CG ASP A 77 14.432 13.167 -10.070 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.558 13.603 -9.741 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.582 12.829 -9.218 1.00 0.00 O ATOM 0 H ASP A 77 13.430 11.794 -13.803 1.00 0.00 H new ATOM 0 HA ASP A 77 15.863 12.051 -12.157 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.354 14.006 -12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.995 12.971 -11.677 1.00 0.00 H new ATOM 1197 N ILE A 78 13.314 9.943 -11.792 1.00 0.00 N ATOM 1198 CA ILE A 78 12.995 8.665 -11.158 1.00 0.00 C ATOM 1199 C ILE A 78 14.037 7.614 -11.570 1.00 0.00 C ATOM 1200 O ILE A 78 14.431 7.540 -12.738 1.00 0.00 O ATOM 1201 CB ILE A 78 11.550 8.282 -11.524 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.590 9.313 -10.890 1.00 0.00 C ATOM 1203 CG2 ILE A 78 11.158 6.870 -11.058 1.00 0.00 C ATOM 1204 CD1 ILE A 78 9.312 9.426 -11.700 1.00 0.00 C ATOM 0 H ILE A 78 12.617 10.273 -12.460 1.00 0.00 H new ATOM 0 HA ILE A 78 13.044 8.733 -10.071 1.00 0.00 H new ATOM 0 HB ILE A 78 11.478 8.284 -12.612 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.354 9.016 -9.868 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.078 10.286 -10.835 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.128 6.664 -11.348 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.819 6.137 -11.521 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.249 6.806 -9.974 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.650 10.157 -11.236 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.551 9.745 -12.714 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.815 8.456 -11.733 1.00 0.00 H new ATOM 1216 N ALA A 79 14.443 6.774 -10.609 1.00 0.00 N ATOM 1217 CA ALA A 79 15.483 5.757 -10.767 1.00 0.00 C ATOM 1218 C ALA A 79 14.962 4.358 -10.406 1.00 0.00 C ATOM 1219 O ALA A 79 15.715 3.482 -9.973 1.00 0.00 O ATOM 1220 CB ALA A 79 16.724 6.170 -9.962 1.00 0.00 C ATOM 0 H ALA A 79 14.042 6.786 -9.671 1.00 0.00 H new ATOM 0 HA ALA A 79 15.775 5.693 -11.815 1.00 0.00 H new ATOM 0 HB1 ALA A 79 17.501 5.414 -10.078 1.00 0.00 H new ATOM 0 HB2 ALA A 79 17.093 7.128 -10.328 1.00 0.00 H new ATOM 0 HB3 ALA A 79 16.460 6.261 -8.908 1.00 0.00 H new ATOM 1226 N MET A 80 13.652 4.164 -10.571 1.00 0.00 N ATOM 1227 CA MET A 80 13.014 2.848 -10.531 1.00 0.00 C ATOM 1228 C MET A 80 13.512 2.024 -11.732 1.00 0.00 C ATOM 1229 O MET A 80 14.022 2.613 -12.691 1.00 0.00 O ATOM 1230 CB MET A 80 11.485 3.014 -10.621 1.00 0.00 C ATOM 1231 CG MET A 80 10.865 3.603 -9.349 1.00 0.00 C ATOM 1232 SD MET A 80 10.977 2.559 -7.866 1.00 0.00 S ATOM 1233 CE MET A 80 9.764 1.273 -8.276 1.00 0.00 C ATOM 0 H MET A 80 12.996 4.927 -10.738 1.00 0.00 H new ATOM 0 HA MET A 80 13.264 2.340 -9.600 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.245 3.659 -11.466 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.032 2.043 -10.822 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.349 4.556 -9.138 1.00 0.00 H new ATOM 0 HG3 MET A 80 9.814 3.816 -9.543 1.00 0.00 H new ATOM 0 HE1 MET A 80 9.329 0.877 -7.358 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.976 1.701 -8.896 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.257 0.468 -8.821 1.00 0.00 H new ATOM 1243 N PRO A 81 13.357 0.687 -11.729 1.00 0.00 N ATOM 1244 CA PRO A 81 13.569 -0.125 -12.923 1.00 0.00 C ATOM 1245 C PRO A 81 12.739 0.414 -14.095 1.00 0.00 C ATOM 1246 O PRO A 81 11.599 0.855 -13.898 1.00 0.00 O ATOM 1247 CB PRO A 81 13.140 -1.547 -12.539 1.00 0.00 C ATOM 1248 CG PRO A 81 13.303 -1.575 -11.021 1.00 0.00 C ATOM 1249 CD PRO A 81 12.946 -0.148 -10.611 1.00 0.00 C ATOM 0 HA PRO A 81 14.608 -0.104 -13.251 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.111 -1.749 -12.835 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.764 -2.298 -13.023 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.640 -2.306 -10.557 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.320 -1.836 -10.729 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.878 -0.050 -10.419 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.463 0.139 -9.695 1.00 0.00 H new ATOM 1257 N LYS A 82 13.274 0.343 -15.317 1.00 0.00 N ATOM 1258 CA LYS A 82 12.594 0.796 -16.522 1.00 0.00 C ATOM 1259 C LYS A 82 12.723 -0.267 -17.600 1.00 0.00 C ATOM 1260 O LYS A 82 13.710 -1.006 -17.634 1.00 0.00 O ATOM 1261 CB LYS A 82 13.210 2.107 -17.037 1.00 0.00 C ATOM 1262 CG LYS A 82 13.105 3.295 -16.069 1.00 0.00 C ATOM 1263 CD LYS A 82 13.849 4.497 -16.658 1.00 0.00 C ATOM 1264 CE LYS A 82 13.812 5.710 -15.719 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.602 6.839 -16.266 1.00 0.00 N ATOM 0 H LYS A 82 14.204 -0.037 -15.494 1.00 0.00 H new ATOM 0 HA LYS A 82 11.545 0.970 -16.283 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.262 1.933 -17.263 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.723 2.377 -17.974 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.059 3.549 -15.899 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.530 3.029 -15.101 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.885 4.222 -16.854 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.403 4.766 -17.616 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.779 6.025 -15.569 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.205 5.428 -14.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.124 7.736 -16.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.550 6.838 -15.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.686 6.736 -17.297 1.00 0.00 H new ATOM 1279 N VAL A 83 11.758 -0.294 -18.510 1.00 0.00 N ATOM 1280 CA VAL A 83 11.718 -1.122 -19.698 1.00 0.00 C ATOM 1281 C VAL A 83 11.064 -0.281 -20.800 1.00 0.00 C ATOM 1282 O VAL A 83 10.398 0.714 -20.501 1.00 0.00 O ATOM 1283 CB VAL A 83 10.913 -2.406 -19.407 1.00 0.00 C ATOM 1284 CG1 VAL A 83 11.767 -3.472 -18.705 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.635 -2.183 -18.582 1.00 0.00 C ATOM 0 H VAL A 83 10.933 0.301 -18.429 1.00 0.00 H new ATOM 0 HA VAL A 83 12.714 -1.434 -20.011 1.00 0.00 H new ATOM 0 HB VAL A 83 10.611 -2.753 -20.395 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.161 -4.359 -18.519 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.613 -3.737 -19.340 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.134 -3.078 -17.757 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.132 -3.137 -18.425 1.00 0.00 H new ATOM 0 HG22 VAL A 83 9.896 -1.747 -17.618 1.00 0.00 H new ATOM 0 HG23 VAL A 83 8.969 -1.506 -19.118 1.00 0.00 H new ATOM 1295 N LYS A 84 11.257 -0.642 -22.072 1.00 0.00 N ATOM 1296 CA LYS A 84 10.488 -0.043 -23.164 1.00 0.00 C ATOM 1297 C LYS A 84 9.135 -0.750 -23.278 1.00 0.00 C ATOM 1298 O LYS A 84 8.998 -1.907 -22.867 1.00 0.00 O ATOM 1299 CB LYS A 84 11.271 -0.083 -24.488 1.00 0.00 C ATOM 1300 CG LYS A 84 11.603 -1.494 -25.002 1.00 0.00 C ATOM 1301 CD LYS A 84 12.365 -1.472 -26.336 1.00 0.00 C ATOM 1302 CE LYS A 84 11.518 -0.897 -27.484 1.00 0.00 C ATOM 1303 NZ LYS A 84 12.230 -0.943 -28.785 1.00 0.00 N ATOM 0 H LYS A 84 11.936 -1.343 -22.369 1.00 0.00 H new ATOM 0 HA LYS A 84 10.312 1.010 -22.942 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.693 0.439 -25.251 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.202 0.469 -24.360 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.200 -2.018 -24.255 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.679 -2.059 -25.125 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.272 -0.878 -26.224 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.677 -2.485 -26.590 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.587 -1.458 -27.562 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.251 0.135 -27.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.621 -0.545 -29.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.106 -0.387 -28.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.463 -1.929 -29.019 1.00 0.00 H new ATOM 1317 N GLY A 85 8.160 -0.058 -23.865 1.00 0.00 N ATOM 1318 CA GLY A 85 6.851 -0.609 -24.185 1.00 0.00 C ATOM 1319 C GLY A 85 7.003 -1.822 -25.096 1.00 0.00 C ATOM 1320 O GLY A 85 6.376 -2.863 -24.814 1.00 0.00 O ATOM 1321 OXT GLY A 85 7.736 -1.724 -26.102 1.00 0.00 O ATOM 0 H GLY A 85 8.263 0.920 -24.135 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.334 -0.895 -23.269 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.238 0.148 -24.674 1.00 0.00 H new TER 1325 GLY A 85