USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 842 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 35 THR OG1 : rot 180:sc= -0.0586 USER MOD Set 1.2: A 67 GLN : amide:sc= -0.214 X(o=-0.27,f=-0.042) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -169:sc= 0.0469 (180deg=0.019) USER MOD Set 2.2: A 10 HIS : no HE2:sc= -4.15! C(o=-4.1!,f=-13!) USER MOD Single : A 1 PCA N :NH3+ -91:sc= -0.0186 (180deg=-0.136) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.045 USER MOD Single : A 7 GLN : amide:sc= -4.05! C(o=-4!,f=-7.1!) USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= -0.989 (180deg=-1.86) USER MOD Single : A 12 THR OG1 : rot 100:sc= -2.44! USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 154:sc= -2.99 (180deg=-4.63!) USER MOD Single : A 25 LYS NZ :NH3+ 156:sc= -0.241 (180deg=-0.98) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 131:sc= -0.333 USER MOD Single : A 34 ASN : amide:sc= -12.4! C(o=-12!,f=-4.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 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 50 ASN : amide:sc= -4.93! C(o=-4.9!,f=-8.4!) USER MOD Single : A 54 ASN : amide:sc= -0.958 K(o=-0.96,f=-1.8!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 59 SER OG : rot 126:sc= 1.76 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.535 X(o=-0.53,f=-0.53) USER MOD Single : A 77 TYR OH : rot -81:sc= -0.18! USER MOD Single : A 78 LYS NZ :NH3+ -158:sc= -0.0243 (180deg=-0.392) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 22:sc= 0.526 USER MOD Single : A 82 SER OG : rot -32:sc= 0.172 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 84 ASN : amide:sc= -3.45 K(o=-3.5,f=-10!) USER MOD Single : A 85 THR OG1 : rot -66:sc= 0.594 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -3! K(o=-3!,f=-0.094) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.786 X(o=-0.79,f=-0.56) USER MOD Single : A 103 SER OG : rot 180:sc= -0.371 USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 -6.198 9.852 1.464 1.00 1.00 N HETATM 2 CA PCA A 1 -6.899 11.125 1.275 1.00 1.00 C HETATM 3 CB PCA A 1 -6.039 12.159 1.915 1.00 1.00 C HETATM 4 CG PCA A 1 -4.874 11.444 2.201 1.00 1.00 C HETATM 5 CD PCA A 1 -5.018 10.017 2.186 1.00 1.00 C HETATM 6 OE PCA A 1 -4.310 9.066 2.674 1.00 1.00 O HETATM 7 C PCA A 1 -7.107 11.419 -0.201 1.00 1.00 C HETATM 8 O PCA A 1 -7.755 12.383 -0.558 1.00 1.00 O HETATM 0 H2 PCA A 1 -6.893 9.083 1.553 1.00 1.00 H new HETATM 0 HA PCA A 1 -7.893 11.104 1.722 1.00 1.00 H new HETATM 0 HB2 PCA A 1 -5.847 12.998 1.247 1.00 1.00 H new HETATM 0 HB3 PCA A 1 -6.497 12.567 2.816 1.00 1.00 H new HETATM 0 HG2 PCA A 1 -4.107 11.724 1.478 1.00 1.00 H new HETATM 0 HG3 PCA A 1 -4.512 11.747 3.183 1.00 1.00 H new ATOM 15 N ASP A 2 -6.568 10.598 -1.058 1.00 1.00 N ATOM 16 CA ASP A 2 -6.730 10.820 -2.522 1.00 1.00 C ATOM 17 C ASP A 2 -6.186 9.596 -3.261 1.00 1.00 C ATOM 18 O ASP A 2 -5.021 9.270 -3.164 1.00 1.00 O ATOM 19 CB ASP A 2 -5.952 12.075 -2.943 1.00 1.00 C ATOM 20 CG ASP A 2 -6.855 13.306 -2.832 1.00 1.00 C ATOM 21 OD1 ASP A 2 -7.912 13.299 -3.439 1.00 1.00 O ATOM 22 OD2 ASP A 2 -6.472 14.235 -2.139 1.00 1.00 O ATOM 0 H ASP A 2 -6.018 9.777 -0.805 1.00 1.00 H new ATOM 0 HA ASP A 2 -7.783 10.963 -2.767 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -5.073 12.199 -2.310 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -5.594 11.966 -3.967 1.00 1.00 H new ATOM 27 N TRP A 3 -7.024 8.908 -3.989 1.00 1.00 N ATOM 28 CA TRP A 3 -6.562 7.694 -4.721 1.00 1.00 C ATOM 29 C TRP A 3 -5.218 7.986 -5.400 1.00 1.00 C ATOM 30 O TRP A 3 -4.431 7.094 -5.647 1.00 1.00 O ATOM 31 CB TRP A 3 -7.625 7.300 -5.752 1.00 1.00 C ATOM 32 CG TRP A 3 -7.058 6.386 -6.797 1.00 1.00 C ATOM 33 CD1 TRP A 3 -7.196 6.576 -8.129 1.00 1.00 C ATOM 34 CD2 TRP A 3 -6.293 5.147 -6.639 1.00 1.00 C ATOM 35 NE1 TRP A 3 -6.560 5.550 -8.800 1.00 1.00 N ATOM 36 CE2 TRP A 3 -5.990 4.644 -7.929 1.00 1.00 C ATOM 37 CE3 TRP A 3 -5.833 4.418 -5.523 1.00 1.00 C ATOM 38 CZ2 TRP A 3 -5.260 3.468 -8.105 1.00 1.00 C ATOM 39 CZ3 TRP A 3 -5.100 3.233 -5.700 1.00 1.00 C ATOM 40 CH2 TRP A 3 -4.814 2.759 -6.988 1.00 1.00 C ATOM 0 H TRP A 3 -8.011 9.135 -4.108 1.00 1.00 H new ATOM 0 HA TRP A 3 -6.421 6.865 -4.028 1.00 1.00 H new ATOM 0 HB2 TRP A 3 -8.458 6.809 -5.249 1.00 1.00 H new ATOM 0 HB3 TRP A 3 -8.024 8.196 -6.227 1.00 1.00 H new ATOM 0 HD1 TRP A 3 -7.720 7.398 -8.594 1.00 1.00 H new ATOM 0 HE1 TRP A 3 -6.517 5.471 -9.816 1.00 1.00 H new ATOM 0 HE3 TRP A 3 -6.046 4.773 -4.526 1.00 1.00 H new ATOM 0 HZ2 TRP A 3 -5.041 3.108 -9.100 1.00 1.00 H new ATOM 0 HZ3 TRP A 3 -4.754 2.683 -4.837 1.00 1.00 H new ATOM 0 HH2 TRP A 3 -4.250 1.847 -7.116 1.00 1.00 H new ATOM 51 N GLU A 4 -4.941 9.229 -5.685 1.00 1.00 N ATOM 52 CA GLU A 4 -3.640 9.569 -6.328 1.00 1.00 C ATOM 53 C GLU A 4 -2.508 9.285 -5.339 1.00 1.00 C ATOM 54 O GLU A 4 -1.902 8.235 -5.367 1.00 1.00 O ATOM 55 CB GLU A 4 -3.629 11.052 -6.710 1.00 1.00 C ATOM 56 CG GLU A 4 -4.745 11.328 -7.719 1.00 1.00 C ATOM 57 CD GLU A 4 -4.604 12.753 -8.259 1.00 1.00 C ATOM 58 OE1 GLU A 4 -5.117 13.659 -7.622 1.00 1.00 O ATOM 59 OE2 GLU A 4 -3.987 12.913 -9.299 1.00 1.00 O ATOM 0 H GLU A 4 -5.557 10.021 -5.501 1.00 1.00 H new ATOM 0 HA GLU A 4 -3.504 8.967 -7.227 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -3.767 11.668 -5.822 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -2.663 11.321 -7.138 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -4.695 10.611 -8.538 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -5.718 11.202 -7.244 1.00 1.00 H new ATOM 66 N THR A 5 -2.225 10.203 -4.455 1.00 1.00 N ATOM 67 CA THR A 5 -1.138 9.963 -3.461 1.00 1.00 C ATOM 68 C THR A 5 -1.332 8.582 -2.843 1.00 1.00 C ATOM 69 O THR A 5 -0.422 7.781 -2.780 1.00 1.00 O ATOM 70 CB THR A 5 -1.202 11.023 -2.363 1.00 1.00 C ATOM 71 OG1 THR A 5 -0.171 10.783 -1.415 1.00 1.00 O ATOM 72 CG2 THR A 5 -2.564 10.965 -1.666 1.00 1.00 C ATOM 0 H THR A 5 -2.696 11.104 -4.377 1.00 1.00 H new ATOM 0 HA THR A 5 -0.168 10.018 -3.956 1.00 1.00 H new ATOM 0 HB THR A 5 -1.068 12.010 -2.805 1.00 1.00 H new ATOM 0 HG1 THR A 5 -0.210 11.463 -0.711 1.00 1.00 H new ATOM 0 HG21 THR A 5 -2.605 11.723 -0.884 1.00 1.00 H new ATOM 0 HG22 THR A 5 -3.353 11.152 -2.394 1.00 1.00 H new ATOM 0 HG23 THR A 5 -2.705 9.979 -1.224 1.00 1.00 H new ATOM 80 N PHE A 6 -2.524 8.295 -2.403 1.00 1.00 N ATOM 81 CA PHE A 6 -2.797 6.964 -1.805 1.00 1.00 C ATOM 82 C PHE A 6 -2.264 5.889 -2.750 1.00 1.00 C ATOM 83 O PHE A 6 -1.896 4.808 -2.340 1.00 1.00 O ATOM 84 CB PHE A 6 -4.309 6.797 -1.631 1.00 1.00 C ATOM 85 CG PHE A 6 -4.597 5.661 -0.682 1.00 1.00 C ATOM 86 CD1 PHE A 6 -4.518 5.865 0.700 1.00 1.00 C ATOM 87 CD2 PHE A 6 -4.954 4.404 -1.184 1.00 1.00 C ATOM 88 CE1 PHE A 6 -4.795 4.814 1.579 1.00 1.00 C ATOM 89 CE2 PHE A 6 -5.228 3.352 -0.306 1.00 1.00 C ATOM 90 CZ PHE A 6 -5.151 3.556 1.076 1.00 1.00 C ATOM 0 H PHE A 6 -3.323 8.929 -2.433 1.00 1.00 H new ATOM 0 HA PHE A 6 -2.311 6.874 -0.834 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -4.743 7.720 -1.248 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -4.775 6.602 -2.597 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -4.243 6.835 1.088 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -5.018 4.247 -2.251 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -4.735 4.972 2.646 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.499 2.381 -0.694 1.00 1.00 H new ATOM 0 HZ PHE A 6 -5.366 2.744 1.755 1.00 1.00 H new ATOM 100 N GLN A 7 -2.216 6.187 -4.018 1.00 1.00 N ATOM 101 CA GLN A 7 -1.702 5.197 -5.003 1.00 1.00 C ATOM 102 C GLN A 7 -0.191 5.381 -5.168 1.00 1.00 C ATOM 103 O GLN A 7 0.498 4.512 -5.664 1.00 1.00 O ATOM 104 CB GLN A 7 -2.398 5.410 -6.353 1.00 1.00 C ATOM 105 CG GLN A 7 -1.694 4.588 -7.436 1.00 1.00 C ATOM 106 CD GLN A 7 -2.560 4.558 -8.696 1.00 1.00 C ATOM 107 OE1 GLN A 7 -2.742 3.519 -9.298 1.00 1.00 O ATOM 108 NE2 GLN A 7 -3.105 5.665 -9.123 1.00 1.00 N ATOM 0 H GLN A 7 -2.512 7.078 -4.416 1.00 1.00 H new ATOM 0 HA GLN A 7 -1.907 4.187 -4.647 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -3.445 5.115 -6.283 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -2.382 6.467 -6.618 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -0.720 5.022 -7.661 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -1.516 3.573 -7.080 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -2.952 6.537 -8.617 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -3.684 5.658 -9.963 1.00 1.00 H new ATOM 117 N LYS A 8 0.332 6.516 -4.782 1.00 1.00 N ATOM 118 CA LYS A 8 1.796 6.749 -4.949 1.00 1.00 C ATOM 119 C LYS A 8 2.576 6.287 -3.709 1.00 1.00 C ATOM 120 O LYS A 8 3.619 5.675 -3.823 1.00 1.00 O ATOM 121 CB LYS A 8 2.040 8.242 -5.181 1.00 1.00 C ATOM 122 CG LYS A 8 1.120 8.739 -6.304 1.00 1.00 C ATOM 123 CD LYS A 8 1.718 9.994 -6.948 1.00 1.00 C ATOM 124 CE LYS A 8 0.857 10.417 -8.140 1.00 1.00 C ATOM 125 NZ LYS A 8 -0.582 10.209 -7.815 1.00 1.00 N ATOM 0 H LYS A 8 -0.188 7.286 -4.361 1.00 1.00 H new ATOM 0 HA LYS A 8 2.146 6.171 -5.804 1.00 1.00 H new ATOM 0 HB2 LYS A 8 1.848 8.800 -4.265 1.00 1.00 H new ATOM 0 HB3 LYS A 8 3.083 8.415 -5.447 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.993 7.959 -7.055 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.130 8.961 -5.905 1.00 1.00 H new ATOM 0 HD2 LYS A 8 1.768 10.802 -6.218 1.00 1.00 H new ATOM 0 HD3 LYS A 8 2.739 9.796 -7.275 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.039 11.465 -8.379 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.129 9.837 -9.022 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -1.171 10.721 -8.503 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -0.804 9.194 -7.857 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -0.777 10.567 -6.858 1.00 1.00 H new ATOM 139 N LYS A 9 2.105 6.592 -2.528 1.00 1.00 N ATOM 140 CA LYS A 9 2.861 6.183 -1.303 1.00 1.00 C ATOM 141 C LYS A 9 2.438 4.788 -0.816 1.00 1.00 C ATOM 142 O LYS A 9 3.265 4.002 -0.403 1.00 1.00 O ATOM 143 CB LYS A 9 2.619 7.206 -0.188 1.00 1.00 C ATOM 144 CG LYS A 9 1.139 7.595 -0.150 1.00 1.00 C ATOM 145 CD LYS A 9 0.821 8.260 1.191 1.00 1.00 C ATOM 146 CE LYS A 9 -0.668 8.605 1.254 1.00 1.00 C ATOM 147 NZ LYS A 9 -0.997 9.141 2.605 1.00 1.00 N ATOM 0 H LYS A 9 1.238 7.102 -2.357 1.00 1.00 H new ATOM 0 HA LYS A 9 3.920 6.146 -1.558 1.00 1.00 H new ATOM 0 HB2 LYS A 9 2.919 6.787 0.773 1.00 1.00 H new ATOM 0 HB3 LYS A 9 3.232 8.091 -0.355 1.00 1.00 H new ATOM 0 HG2 LYS A 9 0.910 8.276 -0.969 1.00 1.00 H new ATOM 0 HG3 LYS A 9 0.516 6.711 -0.287 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.085 7.592 2.011 1.00 1.00 H new ATOM 0 HD3 LYS A 9 1.419 9.163 1.311 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -0.914 9.341 0.489 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.267 7.718 1.047 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -2.030 9.200 2.713 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -0.609 8.509 3.333 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -0.583 10.089 2.713 1.00 1.00 H new ATOM 161 N HIS A 10 1.169 4.475 -0.827 1.00 1.00 N ATOM 162 CA HIS A 10 0.741 3.130 -0.327 1.00 1.00 C ATOM 163 C HIS A 10 0.840 2.075 -1.429 1.00 1.00 C ATOM 164 O HIS A 10 0.659 0.908 -1.171 1.00 1.00 O ATOM 165 CB HIS A 10 -0.704 3.195 0.174 1.00 1.00 C ATOM 166 CG HIS A 10 -0.823 4.262 1.228 1.00 1.00 C ATOM 167 ND1 HIS A 10 -2.020 4.529 1.877 1.00 1.00 N ATOM 168 CD2 HIS A 10 0.096 5.133 1.760 1.00 1.00 C ATOM 169 CE1 HIS A 10 -1.792 5.524 2.754 1.00 1.00 C ATOM 170 NE2 HIS A 10 -0.521 5.925 2.721 1.00 1.00 N ATOM 0 H HIS A 10 0.417 5.081 -1.155 1.00 1.00 H new ATOM 0 HA HIS A 10 1.407 2.849 0.489 1.00 1.00 H new ATOM 0 HB2 HIS A 10 -1.378 3.411 -0.655 1.00 1.00 H new ATOM 0 HB3 HIS A 10 -1.002 2.230 0.584 1.00 1.00 H new ATOM 0 HD1 HIS A 10 -2.910 4.057 1.718 1.00 1.00 H new ATOM 0 HD2 HIS A 10 1.136 5.193 1.476 1.00 1.00 H new ATOM 0 HE1 HIS A 10 -2.545 5.945 3.404 1.00 1.00 H new ATOM 179 N LEU A 11 1.120 2.458 -2.647 1.00 1.00 N ATOM 180 CA LEU A 11 1.219 1.442 -3.745 1.00 1.00 C ATOM 181 C LEU A 11 2.546 1.607 -4.488 1.00 1.00 C ATOM 182 O LEU A 11 3.097 2.687 -4.566 1.00 1.00 O ATOM 183 CB LEU A 11 0.061 1.649 -4.735 1.00 1.00 C ATOM 184 CG LEU A 11 -1.049 0.624 -4.488 1.00 1.00 C ATOM 185 CD1 LEU A 11 -1.784 0.959 -3.189 1.00 1.00 C ATOM 186 CD2 LEU A 11 -2.040 0.663 -5.652 1.00 1.00 C ATOM 0 H LEU A 11 1.284 3.424 -2.931 1.00 1.00 H new ATOM 0 HA LEU A 11 1.167 0.442 -3.314 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -0.338 2.658 -4.630 1.00 1.00 H new ATOM 0 HB3 LEU A 11 0.428 1.556 -5.757 1.00 1.00 H new ATOM 0 HG LEU A 11 -0.610 -0.370 -4.408 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -2.573 0.227 -3.018 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -1.081 0.936 -2.357 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -2.223 1.954 -3.265 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -2.832 -0.066 -5.480 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -2.474 1.660 -5.727 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -1.521 0.422 -6.580 1.00 1.00 H new ATOM 198 N THR A 12 3.052 0.538 -5.051 1.00 1.00 N ATOM 199 CA THR A 12 4.334 0.627 -5.811 1.00 1.00 C ATOM 200 C THR A 12 4.197 -0.154 -7.120 1.00 1.00 C ATOM 201 O THR A 12 3.112 -0.544 -7.503 1.00 1.00 O ATOM 202 CB THR A 12 5.485 0.048 -4.982 1.00 1.00 C ATOM 203 OG1 THR A 12 6.632 -0.075 -5.809 1.00 1.00 O ATOM 204 CG2 THR A 12 5.106 -1.331 -4.425 1.00 1.00 C ATOM 0 H THR A 12 2.632 -0.391 -5.017 1.00 1.00 H new ATOM 0 HA THR A 12 4.551 1.673 -6.026 1.00 1.00 H new ATOM 0 HB THR A 12 5.694 0.715 -4.146 1.00 1.00 H new ATOM 0 HG1 THR A 12 7.235 0.680 -5.646 1.00 1.00 H new ATOM 0 HG21 THR A 12 5.935 -1.727 -3.839 1.00 1.00 H new ATOM 0 HG22 THR A 12 4.225 -1.237 -3.790 1.00 1.00 H new ATOM 0 HG23 THR A 12 4.888 -2.009 -5.250 1.00 1.00 H new ATOM 212 N ASP A 13 5.282 -0.373 -7.818 1.00 1.00 N ATOM 213 CA ASP A 13 5.204 -1.114 -9.115 1.00 1.00 C ATOM 214 C ASP A 13 6.058 -2.386 -9.067 1.00 1.00 C ATOM 215 O ASP A 13 6.343 -2.977 -10.089 1.00 1.00 O ATOM 216 CB ASP A 13 5.713 -0.210 -10.239 1.00 1.00 C ATOM 217 CG ASP A 13 4.903 1.089 -10.256 1.00 1.00 C ATOM 218 OD1 ASP A 13 3.687 1.006 -10.216 1.00 1.00 O ATOM 219 OD2 ASP A 13 5.514 2.144 -10.311 1.00 1.00 O ATOM 0 H ASP A 13 6.218 -0.071 -7.547 1.00 1.00 H new ATOM 0 HA ASP A 13 4.167 -1.396 -9.295 1.00 1.00 H new ATOM 0 HB2 ASP A 13 6.770 0.010 -10.092 1.00 1.00 H new ATOM 0 HB3 ASP A 13 5.624 -0.719 -11.198 1.00 1.00 H new ATOM 224 N THR A 14 6.473 -2.821 -7.907 1.00 1.00 N ATOM 225 CA THR A 14 7.304 -4.059 -7.850 1.00 1.00 C ATOM 226 C THR A 14 7.145 -4.740 -6.490 1.00 1.00 C ATOM 227 O THR A 14 6.868 -4.105 -5.493 1.00 1.00 O ATOM 228 CB THR A 14 8.775 -3.696 -8.068 1.00 1.00 C ATOM 229 OG1 THR A 14 9.557 -4.882 -8.089 1.00 1.00 O ATOM 230 CG2 THR A 14 9.251 -2.788 -6.934 1.00 1.00 C ATOM 0 H THR A 14 6.276 -2.380 -7.008 1.00 1.00 H new ATOM 0 HA THR A 14 6.973 -4.744 -8.631 1.00 1.00 H new ATOM 0 HB THR A 14 8.883 -3.174 -9.018 1.00 1.00 H new ATOM 0 HG1 THR A 14 10.499 -4.650 -8.230 1.00 1.00 H new ATOM 0 HG21 THR A 14 10.298 -2.530 -7.090 1.00 1.00 H new ATOM 0 HG22 THR A 14 8.651 -1.878 -6.920 1.00 1.00 H new ATOM 0 HG23 THR A 14 9.143 -3.308 -5.982 1.00 1.00 H new ATOM 238 N LYS A 15 7.325 -6.033 -6.444 1.00 1.00 N ATOM 239 CA LYS A 15 7.194 -6.764 -5.153 1.00 1.00 C ATOM 240 C LYS A 15 8.408 -6.454 -4.276 1.00 1.00 C ATOM 241 O LYS A 15 8.371 -6.606 -3.070 1.00 1.00 O ATOM 242 CB LYS A 15 7.132 -8.269 -5.420 1.00 1.00 C ATOM 243 CG LYS A 15 6.014 -8.569 -6.421 1.00 1.00 C ATOM 244 CD LYS A 15 6.089 -10.038 -6.845 1.00 1.00 C ATOM 245 CE LYS A 15 4.941 -10.351 -7.806 1.00 1.00 C ATOM 246 NZ LYS A 15 4.986 -11.792 -8.182 1.00 1.00 N ATOM 0 H LYS A 15 7.558 -6.615 -7.249 1.00 1.00 H new ATOM 0 HA LYS A 15 6.282 -6.449 -4.646 1.00 1.00 H new ATOM 0 HB2 LYS A 15 8.087 -8.618 -5.812 1.00 1.00 H new ATOM 0 HB3 LYS A 15 6.953 -8.806 -4.489 1.00 1.00 H new ATOM 0 HG2 LYS A 15 5.043 -8.358 -5.972 1.00 1.00 H new ATOM 0 HG3 LYS A 15 6.109 -7.922 -7.293 1.00 1.00 H new ATOM 0 HD2 LYS A 15 7.046 -10.240 -7.327 1.00 1.00 H new ATOM 0 HD3 LYS A 15 6.030 -10.684 -5.969 1.00 1.00 H new ATOM 0 HE2 LYS A 15 3.986 -10.116 -7.337 1.00 1.00 H new ATOM 0 HE3 LYS A 15 5.019 -9.729 -8.698 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 4.205 -12.005 -8.835 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.893 -12.002 -8.646 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 4.891 -12.377 -7.327 1.00 1.00 H new ATOM 260 N LYS A 16 9.484 -6.018 -4.878 1.00 1.00 N ATOM 261 CA LYS A 16 10.712 -5.690 -4.095 1.00 1.00 C ATOM 262 C LYS A 16 11.039 -4.205 -4.274 1.00 1.00 C ATOM 263 O LYS A 16 12.043 -3.844 -4.854 1.00 1.00 O ATOM 264 CB LYS A 16 11.885 -6.539 -4.598 1.00 1.00 C ATOM 265 CG LYS A 16 11.982 -6.446 -6.126 1.00 1.00 C ATOM 266 CD LYS A 16 12.853 -7.589 -6.651 1.00 1.00 C ATOM 267 CE LYS A 16 13.258 -7.300 -8.098 1.00 1.00 C ATOM 268 NZ LYS A 16 14.164 -8.379 -8.585 1.00 1.00 N ATOM 0 H LYS A 16 9.565 -5.874 -5.885 1.00 1.00 H new ATOM 0 HA LYS A 16 10.542 -5.904 -3.040 1.00 1.00 H new ATOM 0 HB2 LYS A 16 12.815 -6.195 -4.145 1.00 1.00 H new ATOM 0 HB3 LYS A 16 11.749 -7.578 -4.296 1.00 1.00 H new ATOM 0 HG2 LYS A 16 10.987 -6.500 -6.568 1.00 1.00 H new ATOM 0 HG3 LYS A 16 12.409 -5.486 -6.416 1.00 1.00 H new ATOM 0 HD2 LYS A 16 13.741 -7.699 -6.029 1.00 1.00 H new ATOM 0 HD3 LYS A 16 12.307 -8.531 -6.596 1.00 1.00 H new ATOM 0 HE2 LYS A 16 12.372 -7.241 -8.730 1.00 1.00 H new ATOM 0 HE3 LYS A 16 13.759 -6.334 -8.161 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 14.440 -8.183 -9.568 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 15.014 -8.414 -7.987 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 13.671 -9.293 -8.539 1.00 1.00 H new ATOM 282 N VAL A 17 10.194 -3.342 -3.782 1.00 1.00 N ATOM 283 CA VAL A 17 10.452 -1.882 -3.929 1.00 1.00 C ATOM 284 C VAL A 17 11.849 -1.548 -3.442 1.00 1.00 C ATOM 285 O VAL A 17 12.527 -2.359 -2.843 1.00 1.00 O ATOM 286 CB VAL A 17 9.453 -1.088 -3.092 1.00 1.00 C ATOM 287 CG1 VAL A 17 8.041 -1.392 -3.567 1.00 1.00 C ATOM 288 CG2 VAL A 17 9.595 -1.481 -1.618 1.00 1.00 C ATOM 0 H VAL A 17 9.337 -3.584 -3.285 1.00 1.00 H new ATOM 0 HA VAL A 17 10.350 -1.621 -4.983 1.00 1.00 H new ATOM 0 HB VAL A 17 9.651 -0.022 -3.202 1.00 1.00 H new ATOM 0 HG11 VAL A 17 7.326 -0.825 -2.970 1.00 1.00 H new ATOM 0 HG12 VAL A 17 7.941 -1.111 -4.615 1.00 1.00 H new ATOM 0 HG13 VAL A 17 7.842 -2.458 -3.457 1.00 1.00 H new ATOM 0 HG21 VAL A 17 8.882 -0.914 -1.020 1.00 1.00 H new ATOM 0 HG22 VAL A 17 9.397 -2.547 -1.505 1.00 1.00 H new ATOM 0 HG23 VAL A 17 10.608 -1.262 -1.279 1.00 1.00 H new ATOM 298 N LYS A 18 12.268 -0.342 -3.676 1.00 1.00 N ATOM 299 CA LYS A 18 13.610 0.083 -3.211 1.00 1.00 C ATOM 300 C LYS A 18 13.431 0.834 -1.896 1.00 1.00 C ATOM 301 O LYS A 18 13.644 2.025 -1.815 1.00 1.00 O ATOM 302 CB LYS A 18 14.258 0.997 -4.253 1.00 1.00 C ATOM 303 CG LYS A 18 13.214 1.981 -4.791 1.00 1.00 C ATOM 304 CD LYS A 18 13.876 2.952 -5.776 1.00 1.00 C ATOM 305 CE LYS A 18 14.018 2.288 -7.149 1.00 1.00 C ATOM 306 NZ LYS A 18 14.448 3.306 -8.149 1.00 1.00 N ATOM 0 H LYS A 18 11.735 0.372 -4.173 1.00 1.00 H new ATOM 0 HA LYS A 18 14.256 -0.783 -3.068 1.00 1.00 H new ATOM 0 HB2 LYS A 18 15.090 1.541 -3.807 1.00 1.00 H new ATOM 0 HB3 LYS A 18 14.667 0.402 -5.070 1.00 1.00 H new ATOM 0 HG2 LYS A 18 12.410 1.437 -5.287 1.00 1.00 H new ATOM 0 HG3 LYS A 18 12.764 2.535 -3.967 1.00 1.00 H new ATOM 0 HD2 LYS A 18 13.279 3.860 -5.862 1.00 1.00 H new ATOM 0 HD3 LYS A 18 14.856 3.249 -5.403 1.00 1.00 H new ATOM 0 HE2 LYS A 18 14.747 1.479 -7.100 1.00 1.00 H new ATOM 0 HE3 LYS A 18 13.069 1.844 -7.450 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 14.545 2.857 -9.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 13.737 4.063 -8.201 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 15.363 3.709 -7.862 1.00 1.00 H new ATOM 320 N CYS A 19 13.009 0.140 -0.875 1.00 1.00 N ATOM 321 CA CYS A 19 12.776 0.785 0.449 1.00 1.00 C ATOM 322 C CYS A 19 13.784 1.916 0.692 1.00 1.00 C ATOM 323 O CYS A 19 13.454 2.941 1.258 1.00 1.00 O ATOM 324 CB CYS A 19 12.924 -0.266 1.549 1.00 1.00 C ATOM 325 SG CYS A 19 11.445 -1.305 1.584 1.00 1.00 S ATOM 0 H CYS A 19 12.813 -0.861 -0.902 1.00 1.00 H new ATOM 0 HA CYS A 19 11.771 1.208 0.460 1.00 1.00 H new ATOM 0 HB2 CYS A 19 13.808 -0.877 1.367 1.00 1.00 H new ATOM 0 HB3 CYS A 19 13.065 0.219 2.515 1.00 1.00 H new ATOM 330 N ASP A 20 15.008 1.738 0.272 1.00 1.00 N ATOM 331 CA ASP A 20 16.033 2.799 0.486 1.00 1.00 C ATOM 332 C ASP A 20 15.464 4.145 0.042 1.00 1.00 C ATOM 333 O ASP A 20 15.646 5.156 0.690 1.00 1.00 O ATOM 334 CB ASP A 20 17.285 2.472 -0.330 1.00 1.00 C ATOM 335 CG ASP A 20 18.265 3.645 -0.260 1.00 1.00 C ATOM 336 OD1 ASP A 20 18.472 4.153 0.830 1.00 1.00 O ATOM 337 OD2 ASP A 20 18.790 4.016 -1.297 1.00 1.00 O ATOM 0 H ASP A 20 15.342 0.903 -0.210 1.00 1.00 H new ATOM 0 HA ASP A 20 16.297 2.847 1.542 1.00 1.00 H new ATOM 0 HB2 ASP A 20 17.756 1.568 0.055 1.00 1.00 H new ATOM 0 HB3 ASP A 20 17.014 2.273 -1.367 1.00 1.00 H new ATOM 342 N VAL A 21 14.760 4.155 -1.054 1.00 1.00 N ATOM 343 CA VAL A 21 14.155 5.420 -1.551 1.00 1.00 C ATOM 344 C VAL A 21 12.657 5.401 -1.242 1.00 1.00 C ATOM 345 O VAL A 21 12.064 6.416 -0.936 1.00 1.00 O ATOM 346 CB VAL A 21 14.372 5.523 -3.063 1.00 1.00 C ATOM 347 CG1 VAL A 21 14.395 6.995 -3.486 1.00 1.00 C ATOM 348 CG2 VAL A 21 15.705 4.868 -3.431 1.00 1.00 C ATOM 0 H VAL A 21 14.577 3.334 -1.631 1.00 1.00 H new ATOM 0 HA VAL A 21 14.620 6.278 -1.064 1.00 1.00 H new ATOM 0 HB VAL A 21 13.558 5.014 -3.578 1.00 1.00 H new ATOM 0 HG11 VAL A 21 14.550 7.062 -4.563 1.00 1.00 H new ATOM 0 HG12 VAL A 21 13.446 7.463 -3.226 1.00 1.00 H new ATOM 0 HG13 VAL A 21 15.206 7.509 -2.970 1.00 1.00 H new ATOM 0 HG21 VAL A 21 15.861 4.940 -4.507 1.00 1.00 H new ATOM 0 HG22 VAL A 21 16.516 5.378 -2.912 1.00 1.00 H new ATOM 0 HG23 VAL A 21 15.688 3.819 -3.137 1.00 1.00 H new ATOM 358 N GLU A 22 12.042 4.247 -1.293 1.00 1.00 N ATOM 359 CA GLU A 22 10.588 4.167 -0.980 1.00 1.00 C ATOM 360 C GLU A 22 10.366 4.755 0.416 1.00 1.00 C ATOM 361 O GLU A 22 9.250 4.920 0.868 1.00 1.00 O ATOM 362 CB GLU A 22 10.128 2.701 -1.017 1.00 1.00 C ATOM 363 CG GLU A 22 8.869 2.573 -1.880 1.00 1.00 C ATOM 364 CD GLU A 22 9.239 2.755 -3.353 1.00 1.00 C ATOM 365 OE1 GLU A 22 10.395 3.035 -3.622 1.00 1.00 O ATOM 366 OE2 GLU A 22 8.359 2.612 -4.186 1.00 1.00 O ATOM 0 H GLU A 22 12.484 3.361 -1.537 1.00 1.00 H new ATOM 0 HA GLU A 22 10.011 4.727 -1.716 1.00 1.00 H new ATOM 0 HB2 GLU A 22 10.921 2.072 -1.420 1.00 1.00 H new ATOM 0 HB3 GLU A 22 9.924 2.349 -0.006 1.00 1.00 H new ATOM 0 HG2 GLU A 22 8.409 1.597 -1.728 1.00 1.00 H new ATOM 0 HG3 GLU A 22 8.134 3.322 -1.583 1.00 1.00 H new ATOM 373 N MET A 23 11.437 5.073 1.092 1.00 1.00 N ATOM 374 CA MET A 23 11.336 5.658 2.461 1.00 1.00 C ATOM 375 C MET A 23 12.165 6.942 2.523 1.00 1.00 C ATOM 376 O MET A 23 11.718 7.960 3.012 1.00 1.00 O ATOM 377 CB MET A 23 11.889 4.665 3.485 1.00 1.00 C ATOM 378 CG MET A 23 10.949 3.464 3.614 1.00 1.00 C ATOM 379 SD MET A 23 11.203 2.678 5.225 1.00 1.00 S ATOM 380 CE MET A 23 10.520 4.006 6.252 1.00 1.00 C ATOM 0 H MET A 23 12.390 4.951 0.750 1.00 1.00 H new ATOM 0 HA MET A 23 10.291 5.875 2.684 1.00 1.00 H new ATOM 0 HB2 MET A 23 12.880 4.330 3.179 1.00 1.00 H new ATOM 0 HB3 MET A 23 12.002 5.154 4.453 1.00 1.00 H new ATOM 0 HG2 MET A 23 9.913 3.786 3.513 1.00 1.00 H new ATOM 0 HG3 MET A 23 11.141 2.750 2.813 1.00 1.00 H new ATOM 0 HE1 MET A 23 10.152 3.589 7.189 1.00 1.00 H new ATOM 0 HE2 MET A 23 11.298 4.740 6.462 1.00 1.00 H new ATOM 0 HE3 MET A 23 9.699 4.489 5.723 1.00 1.00 H new ATOM 390 N ALA A 24 13.375 6.901 2.034 1.00 1.00 N ATOM 391 CA ALA A 24 14.231 8.119 2.069 1.00 1.00 C ATOM 392 C ALA A 24 13.660 9.164 1.108 1.00 1.00 C ATOM 393 O ALA A 24 14.244 10.207 0.891 1.00 1.00 O ATOM 394 CB ALA A 24 15.656 7.752 1.653 1.00 1.00 C ATOM 0 H ALA A 24 13.806 6.078 1.613 1.00 1.00 H new ATOM 0 HA ALA A 24 14.249 8.529 3.079 1.00 1.00 H new ATOM 0 HB1 ALA A 24 16.283 8.643 1.678 1.00 1.00 H new ATOM 0 HB2 ALA A 24 16.056 7.007 2.341 1.00 1.00 H new ATOM 0 HB3 ALA A 24 15.646 7.344 0.642 1.00 1.00 H new ATOM 400 N LYS A 25 12.521 8.888 0.533 1.00 1.00 N ATOM 401 CA LYS A 25 11.900 9.861 -0.412 1.00 1.00 C ATOM 402 C LYS A 25 11.783 11.228 0.267 1.00 1.00 C ATOM 403 O LYS A 25 12.369 11.474 1.303 1.00 1.00 O ATOM 404 CB LYS A 25 10.492 9.374 -0.790 1.00 1.00 C ATOM 405 CG LYS A 25 10.542 8.534 -2.076 1.00 1.00 C ATOM 406 CD LYS A 25 9.590 7.345 -1.947 1.00 1.00 C ATOM 407 CE LYS A 25 8.145 7.842 -1.983 1.00 1.00 C ATOM 408 NZ LYS A 25 7.834 8.369 -3.342 1.00 1.00 N ATOM 0 H LYS A 25 11.992 8.028 0.677 1.00 1.00 H new ATOM 0 HA LYS A 25 12.519 9.943 -1.305 1.00 1.00 H new ATOM 0 HB2 LYS A 25 10.075 8.780 0.024 1.00 1.00 H new ATOM 0 HB3 LYS A 25 9.831 10.229 -0.932 1.00 1.00 H new ATOM 0 HG2 LYS A 25 10.262 9.146 -2.934 1.00 1.00 H new ATOM 0 HG3 LYS A 25 11.558 8.182 -2.254 1.00 1.00 H new ATOM 0 HD2 LYS A 25 9.763 6.638 -2.758 1.00 1.00 H new ATOM 0 HD3 LYS A 25 9.780 6.813 -1.015 1.00 1.00 H new ATOM 0 HE2 LYS A 25 7.463 7.029 -1.732 1.00 1.00 H new ATOM 0 HE3 LYS A 25 7.999 8.623 -1.236 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 6.808 8.326 -3.505 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 8.155 9.356 -3.414 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 8.322 7.794 -4.058 1.00 1.00 H new ATOM 422 N ALA A 26 11.011 12.113 -0.305 1.00 1.00 N ATOM 423 CA ALA A 26 10.830 13.462 0.300 1.00 1.00 C ATOM 424 C ALA A 26 9.469 13.521 0.999 1.00 1.00 C ATOM 425 O ALA A 26 9.205 14.413 1.780 1.00 1.00 O ATOM 426 CB ALA A 26 10.879 14.522 -0.801 1.00 1.00 C ATOM 0 H ALA A 26 10.495 11.957 -1.171 1.00 1.00 H new ATOM 0 HA ALA A 26 11.624 13.650 1.023 1.00 1.00 H new ATOM 0 HB1 ALA A 26 10.747 15.510 -0.361 1.00 1.00 H new ATOM 0 HB2 ALA A 26 11.843 14.476 -1.307 1.00 1.00 H new ATOM 0 HB3 ALA A 26 10.082 14.336 -1.521 1.00 1.00 H new ATOM 432 N LEU A 27 8.602 12.577 0.728 1.00 1.00 N ATOM 433 CA LEU A 27 7.260 12.587 1.384 1.00 1.00 C ATOM 434 C LEU A 27 7.274 11.641 2.587 1.00 1.00 C ATOM 435 O LEU A 27 6.304 11.527 3.309 1.00 1.00 O ATOM 436 CB LEU A 27 6.186 12.145 0.378 1.00 1.00 C ATOM 437 CG LEU A 27 6.312 10.638 0.077 1.00 1.00 C ATOM 438 CD1 LEU A 27 5.262 9.849 0.870 1.00 1.00 C ATOM 439 CD2 LEU A 27 6.087 10.394 -1.422 1.00 1.00 C ATOM 0 H LEU A 27 8.765 11.803 0.084 1.00 1.00 H new ATOM 0 HA LEU A 27 7.029 13.596 1.725 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.195 12.360 0.778 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.288 12.716 -0.545 1.00 1.00 H new ATOM 0 HG LEU A 27 7.309 10.306 0.366 1.00 1.00 H new ATOM 0 HD11 LEU A 27 5.362 8.786 0.649 1.00 1.00 H new ATOM 0 HD12 LEU A 27 5.413 10.013 1.937 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.264 10.186 0.589 1.00 1.00 H new ATOM 0 HD21 LEU A 27 6.176 9.329 -1.635 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.091 10.738 -1.701 1.00 1.00 H new ATOM 0 HD23 LEU A 27 6.834 10.942 -1.996 1.00 1.00 H new ATOM 451 N PHE A 28 8.376 10.974 2.815 1.00 1.00 N ATOM 452 CA PHE A 28 8.472 10.040 3.979 1.00 1.00 C ATOM 453 C PHE A 28 9.505 10.582 4.972 1.00 1.00 C ATOM 454 O PHE A 28 9.293 10.571 6.168 1.00 1.00 O ATOM 455 CB PHE A 28 8.909 8.654 3.491 1.00 1.00 C ATOM 456 CG PHE A 28 7.697 7.845 3.082 1.00 1.00 C ATOM 457 CD1 PHE A 28 6.729 7.505 4.036 1.00 1.00 C ATOM 458 CD2 PHE A 28 7.542 7.433 1.753 1.00 1.00 C ATOM 459 CE1 PHE A 28 5.608 6.755 3.660 1.00 1.00 C ATOM 460 CE2 PHE A 28 6.421 6.683 1.377 1.00 1.00 C ATOM 461 CZ PHE A 28 5.455 6.344 2.331 1.00 1.00 C ATOM 0 H PHE A 28 9.218 11.036 2.243 1.00 1.00 H new ATOM 0 HA PHE A 28 7.500 9.959 4.466 1.00 1.00 H new ATOM 0 HB2 PHE A 28 9.591 8.755 2.647 1.00 1.00 H new ATOM 0 HB3 PHE A 28 9.453 8.136 4.281 1.00 1.00 H new ATOM 0 HD1 PHE A 28 6.847 7.821 5.062 1.00 1.00 H new ATOM 0 HD2 PHE A 28 8.288 7.694 1.017 1.00 1.00 H new ATOM 0 HE1 PHE A 28 4.862 6.494 4.395 1.00 1.00 H new ATOM 0 HE2 PHE A 28 6.302 6.366 0.351 1.00 1.00 H new ATOM 0 HZ PHE A 28 4.591 5.765 2.041 1.00 1.00 H new ATOM 471 N ASP A 29 10.620 11.058 4.480 1.00 1.00 N ATOM 472 CA ASP A 29 11.677 11.609 5.382 1.00 1.00 C ATOM 473 C ASP A 29 12.481 10.462 6.005 1.00 1.00 C ATOM 474 O ASP A 29 12.813 10.488 7.173 1.00 1.00 O ATOM 475 CB ASP A 29 11.029 12.450 6.492 1.00 1.00 C ATOM 476 CG ASP A 29 11.984 13.570 6.915 1.00 1.00 C ATOM 477 OD1 ASP A 29 12.245 14.439 6.100 1.00 1.00 O ATOM 478 OD2 ASP A 29 12.437 13.538 8.048 1.00 1.00 O ATOM 0 H ASP A 29 10.845 11.089 3.486 1.00 1.00 H new ATOM 0 HA ASP A 29 12.348 12.240 4.799 1.00 1.00 H new ATOM 0 HB2 ASP A 29 10.089 12.874 6.138 1.00 1.00 H new ATOM 0 HB3 ASP A 29 10.791 11.819 7.348 1.00 1.00 H new ATOM 483 N CYS A 30 12.806 9.459 5.232 1.00 1.00 N ATOM 484 CA CYS A 30 13.597 8.317 5.778 1.00 1.00 C ATOM 485 C CYS A 30 13.025 7.887 7.132 1.00 1.00 C ATOM 486 O CYS A 30 13.703 7.914 8.139 1.00 1.00 O ATOM 487 CB CYS A 30 15.054 8.752 5.956 1.00 1.00 C ATOM 488 SG CYS A 30 16.012 7.387 6.662 1.00 1.00 S ATOM 0 H CYS A 30 12.558 9.381 4.246 1.00 1.00 H new ATOM 0 HA CYS A 30 13.544 7.478 5.085 1.00 1.00 H new ATOM 0 HB2 CYS A 30 15.476 9.047 4.995 1.00 1.00 H new ATOM 0 HB3 CYS A 30 15.107 9.623 6.609 1.00 1.00 H new ATOM 493 N LYS A 31 11.780 7.496 7.165 1.00 1.00 N ATOM 494 CA LYS A 31 11.165 7.069 8.453 1.00 1.00 C ATOM 495 C LYS A 31 11.886 5.822 8.978 1.00 1.00 C ATOM 496 O LYS A 31 13.086 5.687 8.845 1.00 1.00 O ATOM 497 CB LYS A 31 9.679 6.754 8.233 1.00 1.00 C ATOM 498 CG LYS A 31 9.102 7.656 7.123 1.00 1.00 C ATOM 499 CD LYS A 31 7.847 8.374 7.624 1.00 1.00 C ATOM 500 CE LYS A 31 6.721 7.361 7.855 1.00 1.00 C ATOM 501 NZ LYS A 31 5.411 8.070 7.853 1.00 1.00 N ATOM 0 H LYS A 31 11.162 7.454 6.355 1.00 1.00 H new ATOM 0 HA LYS A 31 11.258 7.873 9.184 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.559 5.706 7.959 1.00 1.00 H new ATOM 0 HB3 LYS A 31 9.126 6.907 9.160 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.849 8.387 6.814 1.00 1.00 H new ATOM 0 HG3 LYS A 31 8.861 7.056 6.246 1.00 1.00 H new ATOM 0 HD2 LYS A 31 8.067 8.904 8.551 1.00 1.00 H new ATOM 0 HD3 LYS A 31 7.531 9.122 6.897 1.00 1.00 H new ATOM 0 HE2 LYS A 31 6.736 6.599 7.075 1.00 1.00 H new ATOM 0 HE3 LYS A 31 6.868 6.847 8.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 4.645 7.384 8.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 5.400 8.781 8.612 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 5.272 8.540 6.936 1.00 1.00 H new ATOM 515 N LYS A 32 11.159 4.912 9.573 1.00 1.00 N ATOM 516 CA LYS A 32 11.792 3.668 10.110 1.00 1.00 C ATOM 517 C LYS A 32 11.012 2.445 9.619 1.00 1.00 C ATOM 518 O LYS A 32 11.555 1.367 9.480 1.00 1.00 O ATOM 519 CB LYS A 32 11.767 3.704 11.641 1.00 1.00 C ATOM 520 CG LYS A 32 10.318 3.764 12.127 1.00 1.00 C ATOM 521 CD LYS A 32 10.293 4.014 13.637 1.00 1.00 C ATOM 522 CE LYS A 32 10.954 2.840 14.366 1.00 1.00 C ATOM 523 NZ LYS A 32 10.487 2.809 15.781 1.00 1.00 N ATOM 0 H LYS A 32 10.150 4.976 9.711 1.00 1.00 H new ATOM 0 HA LYS A 32 12.823 3.606 9.762 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.260 2.820 12.044 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.320 4.571 12.004 1.00 1.00 H new ATOM 0 HG2 LYS A 32 9.782 4.559 11.608 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.807 2.830 11.894 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.817 4.941 13.871 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.265 4.134 13.978 1.00 1.00 H new ATOM 0 HE2 LYS A 32 10.705 1.902 13.869 1.00 1.00 H new ATOM 0 HE3 LYS A 32 12.039 2.941 14.332 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.935 2.012 16.277 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.746 3.700 16.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 9.454 2.693 15.803 1.00 1.00 H new ATOM 537 N THR A 33 9.744 2.608 9.354 1.00 1.00 N ATOM 538 CA THR A 33 8.920 1.462 8.866 1.00 1.00 C ATOM 539 C THR A 33 8.036 1.944 7.715 1.00 1.00 C ATOM 540 O THR A 33 7.636 3.091 7.670 1.00 1.00 O ATOM 541 CB THR A 33 8.039 0.944 10.004 1.00 1.00 C ATOM 542 OG1 THR A 33 8.826 0.789 11.177 1.00 1.00 O ATOM 543 CG2 THR A 33 7.435 -0.405 9.611 1.00 1.00 C ATOM 0 H THR A 33 9.240 3.489 9.455 1.00 1.00 H new ATOM 0 HA THR A 33 9.571 0.658 8.522 1.00 1.00 H new ATOM 0 HB THR A 33 7.237 1.656 10.196 1.00 1.00 H new ATOM 0 HG1 THR A 33 8.373 1.216 11.934 1.00 1.00 H new ATOM 0 HG21 THR A 33 6.807 -0.773 10.423 1.00 1.00 H new ATOM 0 HG22 THR A 33 6.831 -0.285 8.711 1.00 1.00 H new ATOM 0 HG23 THR A 33 8.235 -1.120 9.418 1.00 1.00 H new ATOM 551 N ASN A 34 7.734 1.088 6.778 1.00 1.00 N ATOM 552 CA ASN A 34 6.884 1.520 5.633 1.00 1.00 C ATOM 553 C ASN A 34 6.198 0.307 5.003 1.00 1.00 C ATOM 554 O ASN A 34 6.711 -0.794 5.028 1.00 1.00 O ATOM 555 CB ASN A 34 7.763 2.203 4.585 1.00 1.00 C ATOM 556 CG ASN A 34 6.906 3.123 3.712 1.00 1.00 C ATOM 557 OD1 ASN A 34 7.150 4.311 3.637 1.00 1.00 O ATOM 558 ND2 ASN A 34 5.904 2.620 3.043 1.00 1.00 N ATOM 0 H ASN A 34 8.037 0.114 6.755 1.00 1.00 H new ATOM 0 HA ASN A 34 6.124 2.214 5.992 1.00 1.00 H new ATOM 0 HB2 ASN A 34 8.549 2.779 5.075 1.00 1.00 H new ATOM 0 HB3 ASN A 34 8.256 1.454 3.966 1.00 1.00 H new ATOM 0 HD21 ASN A 34 5.327 3.224 2.458 1.00 1.00 H new ATOM 0 HD22 ASN A 34 5.698 1.623 3.105 1.00 1.00 H new ATOM 565 N THR A 35 5.042 0.509 4.431 1.00 1.00 N ATOM 566 CA THR A 35 4.314 -0.619 3.787 1.00 1.00 C ATOM 567 C THR A 35 3.676 -0.130 2.484 1.00 1.00 C ATOM 568 O THR A 35 3.373 1.036 2.330 1.00 1.00 O ATOM 569 CB THR A 35 3.234 -1.149 4.745 1.00 1.00 C ATOM 570 OG1 THR A 35 3.090 -2.550 4.559 1.00 1.00 O ATOM 571 CG2 THR A 35 1.893 -0.461 4.471 1.00 1.00 C ATOM 0 H THR A 35 4.569 1.412 4.382 1.00 1.00 H new ATOM 0 HA THR A 35 5.010 -1.427 3.561 1.00 1.00 H new ATOM 0 HB THR A 35 3.536 -0.937 5.771 1.00 1.00 H new ATOM 0 HG1 THR A 35 2.404 -2.892 5.169 1.00 1.00 H new ATOM 0 HG21 THR A 35 1.139 -0.847 5.157 1.00 1.00 H new ATOM 0 HG22 THR A 35 1.999 0.614 4.616 1.00 1.00 H new ATOM 0 HG23 THR A 35 1.585 -0.660 3.444 1.00 1.00 H new ATOM 579 N PHE A 36 3.455 -1.016 1.556 1.00 1.00 N ATOM 580 CA PHE A 36 2.816 -0.608 0.268 1.00 1.00 C ATOM 581 C PHE A 36 2.063 -1.811 -0.297 1.00 1.00 C ATOM 582 O PHE A 36 2.098 -2.880 0.270 1.00 1.00 O ATOM 583 CB PHE A 36 3.871 -0.150 -0.754 1.00 1.00 C ATOM 584 CG PHE A 36 5.112 0.362 -0.057 1.00 1.00 C ATOM 585 CD1 PHE A 36 5.916 -0.516 0.673 1.00 1.00 C ATOM 586 CD2 PHE A 36 5.468 1.712 -0.163 1.00 1.00 C ATOM 587 CE1 PHE A 36 7.073 -0.048 1.303 1.00 1.00 C ATOM 588 CE2 PHE A 36 6.628 2.181 0.463 1.00 1.00 C ATOM 589 CZ PHE A 36 7.431 1.301 1.196 1.00 1.00 C ATOM 0 H PHE A 36 3.688 -2.006 1.630 1.00 1.00 H new ATOM 0 HA PHE A 36 2.139 0.225 0.456 1.00 1.00 H new ATOM 0 HB2 PHE A 36 4.134 -0.981 -1.409 1.00 1.00 H new ATOM 0 HB3 PHE A 36 3.454 0.634 -1.386 1.00 1.00 H new ATOM 0 HD1 PHE A 36 5.644 -1.558 0.751 1.00 1.00 H new ATOM 0 HD2 PHE A 36 4.847 2.391 -0.728 1.00 1.00 H new ATOM 0 HE1 PHE A 36 7.690 -0.727 1.872 1.00 1.00 H new ATOM 0 HE2 PHE A 36 6.903 3.222 0.380 1.00 1.00 H new ATOM 0 HZ PHE A 36 8.327 1.662 1.679 1.00 1.00 H new ATOM 599 N ILE A 37 1.378 -1.649 -1.399 1.00 1.00 N ATOM 600 CA ILE A 37 0.617 -2.788 -1.988 1.00 1.00 C ATOM 601 C ILE A 37 1.073 -3.020 -3.429 1.00 1.00 C ATOM 602 O ILE A 37 1.181 -2.096 -4.217 1.00 1.00 O ATOM 603 CB ILE A 37 -0.879 -2.456 -1.959 1.00 1.00 C ATOM 604 CG1 ILE A 37 -1.321 -2.179 -0.507 1.00 1.00 C ATOM 605 CG2 ILE A 37 -1.673 -3.637 -2.524 1.00 1.00 C ATOM 606 CD1 ILE A 37 -2.408 -1.099 -0.479 1.00 1.00 C ATOM 0 H ILE A 37 1.313 -0.773 -1.917 1.00 1.00 H new ATOM 0 HA ILE A 37 0.800 -3.694 -1.410 1.00 1.00 H new ATOM 0 HB ILE A 37 -1.066 -1.570 -2.565 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -1.698 -3.096 -0.053 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -0.465 -1.858 0.086 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -2.737 -3.403 -2.504 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -1.362 -3.826 -3.551 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -1.485 -4.524 -1.919 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -2.710 -0.914 0.552 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -2.018 -0.179 -0.914 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -3.270 -1.435 -1.055 1.00 1.00 H new ATOM 618 N TYR A 38 1.345 -4.254 -3.781 1.00 1.00 N ATOM 619 CA TYR A 38 1.791 -4.546 -5.177 1.00 1.00 C ATOM 620 C TYR A 38 0.579 -4.950 -6.016 1.00 1.00 C ATOM 621 O TYR A 38 0.143 -6.083 -5.987 1.00 1.00 O ATOM 622 CB TYR A 38 2.804 -5.693 -5.170 1.00 1.00 C ATOM 623 CG TYR A 38 3.203 -6.020 -6.591 1.00 1.00 C ATOM 624 CD1 TYR A 38 3.867 -5.064 -7.368 1.00 1.00 C ATOM 625 CD2 TYR A 38 2.904 -7.276 -7.133 1.00 1.00 C ATOM 626 CE1 TYR A 38 4.233 -5.363 -8.686 1.00 1.00 C ATOM 627 CE2 TYR A 38 3.270 -7.576 -8.450 1.00 1.00 C ATOM 628 CZ TYR A 38 3.934 -6.620 -9.228 1.00 1.00 C ATOM 629 OH TYR A 38 4.295 -6.915 -10.526 1.00 1.00 O ATOM 0 H TYR A 38 1.278 -5.065 -3.166 1.00 1.00 H new ATOM 0 HA TYR A 38 2.258 -3.657 -5.601 1.00 1.00 H new ATOM 0 HB2 TYR A 38 3.683 -5.413 -4.589 1.00 1.00 H new ATOM 0 HB3 TYR A 38 2.372 -6.571 -4.691 1.00 1.00 H new ATOM 0 HD1 TYR A 38 4.097 -4.095 -6.951 1.00 1.00 H new ATOM 0 HD2 TYR A 38 2.391 -8.014 -6.534 1.00 1.00 H new ATOM 0 HE1 TYR A 38 4.746 -4.625 -9.285 1.00 1.00 H new ATOM 0 HE2 TYR A 38 3.040 -8.546 -8.866 1.00 1.00 H new ATOM 0 HH TYR A 38 4.014 -7.828 -10.744 1.00 1.00 H new ATOM 639 N ALA A 39 0.027 -4.033 -6.764 1.00 1.00 N ATOM 640 CA ALA A 39 -1.159 -4.375 -7.600 1.00 1.00 C ATOM 641 C ALA A 39 -1.295 -3.365 -8.742 1.00 1.00 C ATOM 642 O ALA A 39 -0.842 -2.241 -8.650 1.00 1.00 O ATOM 643 CB ALA A 39 -2.420 -4.336 -6.735 1.00 1.00 C ATOM 0 H ALA A 39 0.344 -3.066 -6.832 1.00 1.00 H new ATOM 0 HA ALA A 39 -1.030 -5.375 -8.015 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -3.288 -4.586 -7.345 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -2.327 -5.058 -5.924 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -2.545 -3.336 -6.319 1.00 1.00 H new ATOM 649 N LEU A 40 -1.922 -3.759 -9.817 1.00 1.00 N ATOM 650 CA LEU A 40 -2.096 -2.826 -10.966 1.00 1.00 C ATOM 651 C LEU A 40 -3.296 -1.904 -10.680 1.00 1.00 C ATOM 652 O LEU A 40 -4.216 -2.280 -9.981 1.00 1.00 O ATOM 653 CB LEU A 40 -2.288 -3.659 -12.250 1.00 1.00 C ATOM 654 CG LEU A 40 -3.773 -3.903 -12.546 1.00 1.00 C ATOM 655 CD1 LEU A 40 -4.287 -2.803 -13.471 1.00 1.00 C ATOM 656 CD2 LEU A 40 -3.941 -5.259 -13.238 1.00 1.00 C ATOM 0 H LEU A 40 -2.322 -4.688 -9.949 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.219 -2.194 -11.105 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -1.828 -3.142 -13.092 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -1.775 -4.615 -12.145 1.00 1.00 H new ATOM 0 HG LEU A 40 -4.336 -3.897 -11.613 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -5.342 -2.971 -13.685 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -4.165 -1.834 -12.987 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -3.721 -2.817 -14.403 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -4.996 -5.432 -13.448 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -3.380 -5.263 -14.172 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -3.567 -6.049 -12.587 1.00 1.00 H new ATOM 668 N PRO A 41 -3.271 -0.693 -11.185 1.00 1.00 N ATOM 669 CA PRO A 41 -4.362 0.306 -10.946 1.00 1.00 C ATOM 670 C PRO A 41 -5.752 -0.191 -11.372 1.00 1.00 C ATOM 671 O PRO A 41 -6.681 -0.193 -10.591 1.00 1.00 O ATOM 672 CB PRO A 41 -3.945 1.530 -11.782 1.00 1.00 C ATOM 673 CG PRO A 41 -2.893 1.040 -12.726 1.00 1.00 C ATOM 674 CD PRO A 41 -2.212 -0.139 -12.040 1.00 1.00 C ATOM 0 HA PRO A 41 -4.464 0.518 -9.882 1.00 1.00 H new ATOM 0 HB2 PRO A 41 -4.796 1.941 -12.325 1.00 1.00 H new ATOM 0 HB3 PRO A 41 -3.559 2.325 -11.145 1.00 1.00 H new ATOM 0 HG2 PRO A 41 -3.335 0.735 -13.675 1.00 1.00 H new ATOM 0 HG3 PRO A 41 -2.174 1.828 -12.948 1.00 1.00 H new ATOM 0 HD2 PRO A 41 -1.854 -0.872 -12.763 1.00 1.00 H new ATOM 0 HD3 PRO A 41 -1.349 0.180 -11.455 1.00 1.00 H new ATOM 682 N GLY A 42 -5.908 -0.600 -12.601 1.00 1.00 N ATOM 683 CA GLY A 42 -7.246 -1.078 -13.059 1.00 1.00 C ATOM 684 C GLY A 42 -7.822 -2.069 -12.042 1.00 1.00 C ATOM 685 O GLY A 42 -8.975 -1.992 -11.676 1.00 1.00 O ATOM 0 H GLY A 42 -5.171 -0.625 -13.306 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -7.923 -0.232 -13.179 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -7.157 -1.555 -14.035 1.00 1.00 H new ATOM 689 N ARG A 43 -7.028 -2.999 -11.589 1.00 1.00 N ATOM 690 CA ARG A 43 -7.524 -4.001 -10.602 1.00 1.00 C ATOM 691 C ARG A 43 -7.832 -3.314 -9.266 1.00 1.00 C ATOM 692 O ARG A 43 -8.729 -3.711 -8.548 1.00 1.00 O ATOM 693 CB ARG A 43 -6.450 -5.069 -10.384 1.00 1.00 C ATOM 694 CG ARG A 43 -7.047 -6.240 -9.603 1.00 1.00 C ATOM 695 CD ARG A 43 -5.943 -7.245 -9.267 1.00 1.00 C ATOM 696 NE ARG A 43 -5.353 -7.774 -10.530 1.00 1.00 N ATOM 697 CZ ARG A 43 -4.602 -8.840 -10.502 1.00 1.00 C ATOM 698 NH1 ARG A 43 -4.365 -9.441 -9.368 1.00 1.00 N ATOM 699 NH2 ARG A 43 -4.087 -9.305 -11.607 1.00 1.00 N ATOM 0 H ARG A 43 -6.051 -3.109 -11.861 1.00 1.00 H new ATOM 0 HA ARG A 43 -8.434 -4.462 -10.986 1.00 1.00 H new ATOM 0 HB2 ARG A 43 -6.067 -5.416 -11.344 1.00 1.00 H new ATOM 0 HB3 ARG A 43 -5.607 -4.646 -9.838 1.00 1.00 H new ATOM 0 HG2 ARG A 43 -7.516 -5.879 -8.688 1.00 1.00 H new ATOM 0 HG3 ARG A 43 -7.827 -6.723 -10.191 1.00 1.00 H new ATOM 0 HD2 ARG A 43 -5.171 -6.766 -8.665 1.00 1.00 H new ATOM 0 HD3 ARG A 43 -6.349 -8.063 -8.672 1.00 1.00 H new ATOM 0 HE ARG A 43 -5.537 -7.302 -11.416 1.00 1.00 H new ATOM 0 HH11 ARG A 43 -4.767 -9.077 -8.504 1.00 1.00 H new ATOM 0 HH12 ARG A 43 -3.778 -10.275 -9.346 1.00 1.00 H new ATOM 0 HH21 ARG A 43 -4.272 -8.835 -12.493 1.00 1.00 H new ATOM 0 HH22 ARG A 43 -3.500 -10.139 -11.585 1.00 1.00 H new ATOM 713 N VAL A 44 -7.091 -2.295 -8.924 1.00 1.00 N ATOM 714 CA VAL A 44 -7.339 -1.595 -7.630 1.00 1.00 C ATOM 715 C VAL A 44 -8.619 -0.764 -7.731 1.00 1.00 C ATOM 716 O VAL A 44 -9.541 -0.933 -6.958 1.00 1.00 O ATOM 717 CB VAL A 44 -6.155 -0.678 -7.313 1.00 1.00 C ATOM 718 CG1 VAL A 44 -6.482 0.181 -6.088 1.00 1.00 C ATOM 719 CG2 VAL A 44 -4.915 -1.530 -7.025 1.00 1.00 C ATOM 0 H VAL A 44 -6.326 -1.917 -9.483 1.00 1.00 H new ATOM 0 HA VAL A 44 -7.452 -2.332 -6.835 1.00 1.00 H new ATOM 0 HB VAL A 44 -5.961 -0.028 -8.166 1.00 1.00 H new ATOM 0 HG11 VAL A 44 -5.637 0.833 -5.865 1.00 1.00 H new ATOM 0 HG12 VAL A 44 -7.364 0.788 -6.294 1.00 1.00 H new ATOM 0 HG13 VAL A 44 -6.678 -0.465 -5.232 1.00 1.00 H new ATOM 0 HG21 VAL A 44 -4.071 -0.879 -6.799 1.00 1.00 H new ATOM 0 HG22 VAL A 44 -5.110 -2.180 -6.172 1.00 1.00 H new ATOM 0 HG23 VAL A 44 -4.681 -2.138 -7.899 1.00 1.00 H new ATOM 729 N LYS A 45 -8.687 0.127 -8.679 1.00 1.00 N ATOM 730 CA LYS A 45 -9.913 0.960 -8.827 1.00 1.00 C ATOM 731 C LYS A 45 -11.078 0.058 -9.235 1.00 1.00 C ATOM 732 O LYS A 45 -12.233 0.401 -9.075 1.00 1.00 O ATOM 733 CB LYS A 45 -9.686 2.024 -9.904 1.00 1.00 C ATOM 734 CG LYS A 45 -9.518 1.346 -11.266 1.00 1.00 C ATOM 735 CD LYS A 45 -8.926 2.343 -12.265 1.00 1.00 C ATOM 736 CE LYS A 45 -9.794 3.602 -12.309 1.00 1.00 C ATOM 737 NZ LYS A 45 -9.483 4.377 -13.543 1.00 1.00 N ATOM 0 H LYS A 45 -7.948 0.315 -9.357 1.00 1.00 H new ATOM 0 HA LYS A 45 -10.140 1.453 -7.882 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -10.529 2.714 -9.931 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -8.800 2.613 -9.667 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -8.866 0.478 -11.173 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -10.482 0.984 -11.625 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -7.907 2.601 -11.976 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -8.872 1.892 -13.256 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -10.849 3.330 -12.294 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -9.610 4.214 -11.426 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -10.073 5.233 -13.573 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -8.479 4.648 -13.539 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -9.680 3.791 -14.380 1.00 1.00 H new ATOM 751 N ALA A 46 -10.778 -1.097 -9.760 1.00 1.00 N ATOM 752 CA ALA A 46 -11.853 -2.035 -10.182 1.00 1.00 C ATOM 753 C ALA A 46 -12.590 -2.553 -8.945 1.00 1.00 C ATOM 754 O ALA A 46 -13.802 -2.524 -8.876 1.00 1.00 O ATOM 755 CB ALA A 46 -11.224 -3.210 -10.935 1.00 1.00 C ATOM 0 H ALA A 46 -9.828 -1.433 -9.916 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.560 -1.519 -10.832 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -12.006 -3.902 -11.248 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -10.696 -2.839 -11.813 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -10.522 -3.727 -10.281 1.00 1.00 H new ATOM 761 N LEU A 47 -11.868 -3.027 -7.966 1.00 1.00 N ATOM 762 CA LEU A 47 -12.531 -3.546 -6.737 1.00 1.00 C ATOM 763 C LEU A 47 -13.394 -2.443 -6.119 1.00 1.00 C ATOM 764 O LEU A 47 -14.295 -2.707 -5.347 1.00 1.00 O ATOM 765 CB LEU A 47 -11.464 -3.985 -5.729 1.00 1.00 C ATOM 766 CG LEU A 47 -10.593 -5.090 -6.343 1.00 1.00 C ATOM 767 CD1 LEU A 47 -9.252 -5.153 -5.607 1.00 1.00 C ATOM 768 CD2 LEU A 47 -11.302 -6.443 -6.217 1.00 1.00 C ATOM 0 H LEU A 47 -10.849 -3.077 -7.965 1.00 1.00 H new ATOM 0 HA LEU A 47 -13.160 -4.398 -6.995 1.00 1.00 H new ATOM 0 HB2 LEU A 47 -10.844 -3.134 -5.448 1.00 1.00 H new ATOM 0 HB3 LEU A 47 -11.939 -4.348 -4.817 1.00 1.00 H new ATOM 0 HG LEU A 47 -10.424 -4.867 -7.396 1.00 1.00 H new ATOM 0 HD11 LEU A 47 -8.634 -5.938 -6.043 1.00 1.00 H new ATOM 0 HD12 LEU A 47 -8.741 -4.195 -5.700 1.00 1.00 H new ATOM 0 HD13 LEU A 47 -9.425 -5.371 -4.553 1.00 1.00 H new ATOM 0 HD21 LEU A 47 -10.679 -7.223 -6.655 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -11.476 -6.666 -5.164 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -12.256 -6.404 -6.742 1.00 1.00 H new ATOM 780 N CYS A 48 -13.129 -1.209 -6.454 1.00 1.00 N ATOM 781 CA CYS A 48 -13.934 -0.086 -5.889 1.00 1.00 C ATOM 782 C CYS A 48 -15.031 0.299 -6.888 1.00 1.00 C ATOM 783 O CYS A 48 -15.271 1.461 -7.142 1.00 1.00 O ATOM 784 CB CYS A 48 -13.015 1.118 -5.633 1.00 1.00 C ATOM 785 SG CYS A 48 -12.368 1.036 -3.944 1.00 1.00 S ATOM 0 H CYS A 48 -12.388 -0.929 -7.096 1.00 1.00 H new ATOM 0 HA CYS A 48 -14.393 -0.394 -4.949 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -12.193 1.120 -6.349 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -13.566 2.047 -5.778 1.00 1.00 H new ATOM 790 N LYS A 49 -15.690 -0.667 -7.473 1.00 1.00 N ATOM 791 CA LYS A 49 -16.756 -0.355 -8.463 1.00 1.00 C ATOM 792 C LYS A 49 -18.135 -0.669 -7.866 1.00 1.00 C ATOM 793 O LYS A 49 -18.293 -1.581 -7.080 1.00 1.00 O ATOM 794 CB LYS A 49 -16.517 -1.208 -9.720 1.00 1.00 C ATOM 795 CG LYS A 49 -17.847 -1.515 -10.412 1.00 1.00 C ATOM 796 CD LYS A 49 -17.583 -1.985 -11.844 1.00 1.00 C ATOM 797 CE LYS A 49 -18.873 -2.556 -12.440 1.00 1.00 C ATOM 798 NZ LYS A 49 -18.691 -2.771 -13.903 1.00 1.00 N ATOM 0 H LYS A 49 -15.533 -1.661 -7.305 1.00 1.00 H new ATOM 0 HA LYS A 49 -16.727 0.703 -8.722 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -15.855 -0.680 -10.406 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -16.017 -2.138 -9.448 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -18.387 -2.284 -9.860 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -18.478 -0.626 -10.421 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -17.226 -1.153 -12.451 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -16.800 -2.743 -11.851 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -19.126 -3.497 -11.952 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -19.702 -1.871 -12.263 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -19.567 -3.159 -14.308 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -18.469 -1.865 -14.362 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -17.910 -3.440 -14.061 1.00 1.00 H new ATOM 812 N ASN A 50 -19.130 0.079 -8.260 1.00 1.00 N ATOM 813 CA ASN A 50 -20.519 -0.153 -7.761 1.00 1.00 C ATOM 814 C ASN A 50 -20.564 -0.209 -6.228 1.00 1.00 C ATOM 815 O ASN A 50 -21.550 -0.628 -5.654 1.00 1.00 O ATOM 816 CB ASN A 50 -21.058 -1.468 -8.344 1.00 1.00 C ATOM 817 CG ASN A 50 -20.571 -2.656 -7.510 1.00 1.00 C ATOM 818 OD1 ASN A 50 -19.655 -3.353 -7.900 1.00 1.00 O ATOM 819 ND2 ASN A 50 -21.151 -2.917 -6.370 1.00 1.00 N ATOM 0 H ASN A 50 -19.039 0.854 -8.917 1.00 1.00 H new ATOM 0 HA ASN A 50 -21.141 0.682 -8.084 1.00 1.00 H new ATOM 0 HB2 ASN A 50 -22.148 -1.448 -8.359 1.00 1.00 H new ATOM 0 HB3 ASN A 50 -20.727 -1.579 -9.376 1.00 1.00 H new ATOM 0 HD21 ASN A 50 -20.835 -3.706 -5.806 1.00 1.00 H new ATOM 0 HD22 ASN A 50 -21.920 -2.332 -6.043 1.00 1.00 H new ATOM 826 N ILE A 51 -19.528 0.208 -5.550 1.00 1.00 N ATOM 827 CA ILE A 51 -19.571 0.165 -4.064 1.00 1.00 C ATOM 828 C ILE A 51 -20.338 1.388 -3.548 1.00 1.00 C ATOM 829 O ILE A 51 -21.071 2.021 -4.283 1.00 1.00 O ATOM 830 CB ILE A 51 -18.149 0.161 -3.506 1.00 1.00 C ATOM 831 CG1 ILE A 51 -17.267 1.117 -4.312 1.00 1.00 C ATOM 832 CG2 ILE A 51 -17.570 -1.252 -3.587 1.00 1.00 C ATOM 833 CD1 ILE A 51 -15.991 1.412 -3.519 1.00 1.00 C ATOM 0 H ILE A 51 -18.666 0.572 -5.956 1.00 1.00 H new ATOM 0 HA ILE A 51 -20.077 -0.743 -3.736 1.00 1.00 H new ATOM 0 HB ILE A 51 -18.176 0.487 -2.466 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -17.016 0.675 -5.276 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -17.805 2.043 -4.516 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -16.555 -1.253 -3.188 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -18.190 -1.933 -3.004 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -17.552 -1.579 -4.627 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -15.358 2.093 -4.088 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -16.253 1.871 -2.566 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -15.452 0.482 -3.338 1.00 1.00 H new ATOM 845 N ARG A 52 -20.187 1.718 -2.291 1.00 1.00 N ATOM 846 CA ARG A 52 -20.922 2.895 -1.729 1.00 1.00 C ATOM 847 C ARG A 52 -19.928 3.947 -1.230 1.00 1.00 C ATOM 848 O ARG A 52 -18.751 3.895 -1.521 1.00 1.00 O ATOM 849 CB ARG A 52 -21.798 2.432 -0.563 1.00 1.00 C ATOM 850 CG ARG A 52 -22.885 1.488 -1.081 1.00 1.00 C ATOM 851 CD ARG A 52 -23.972 1.326 -0.016 1.00 1.00 C ATOM 852 NE ARG A 52 -24.789 2.570 0.053 1.00 1.00 N ATOM 853 CZ ARG A 52 -25.613 2.865 -0.914 1.00 1.00 C ATOM 854 NH1 ARG A 52 -25.723 2.071 -1.944 1.00 1.00 N ATOM 855 NH2 ARG A 52 -26.329 3.955 -0.852 1.00 1.00 N ATOM 0 H ARG A 52 -19.588 1.225 -1.629 1.00 1.00 H new ATOM 0 HA ARG A 52 -21.544 3.335 -2.509 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -21.188 1.925 0.184 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -22.253 3.293 -0.073 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -23.318 1.884 -2.000 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -22.453 0.518 -1.325 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -24.608 0.474 -0.256 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -23.518 1.122 0.954 1.00 1.00 H new ATOM 0 HE ARG A 52 -24.704 3.192 0.857 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -25.164 1.219 -1.993 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -26.368 2.302 -2.700 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -26.244 4.576 -0.047 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -26.973 4.186 -1.608 1.00 1.00 H new ATOM 869 N ASP A 53 -20.406 4.904 -0.478 1.00 1.00 N ATOM 870 CA ASP A 53 -19.511 5.975 0.052 1.00 1.00 C ATOM 871 C ASP A 53 -18.383 5.366 0.875 1.00 1.00 C ATOM 872 O ASP A 53 -17.925 4.269 0.624 1.00 1.00 O ATOM 873 CB ASP A 53 -20.330 6.919 0.937 1.00 1.00 C ATOM 874 CG ASP A 53 -20.805 6.170 2.183 1.00 1.00 C ATOM 875 OD1 ASP A 53 -21.622 5.276 2.037 1.00 1.00 O ATOM 876 OD2 ASP A 53 -20.343 6.503 3.262 1.00 1.00 O ATOM 0 H ASP A 53 -21.385 4.990 -0.206 1.00 1.00 H new ATOM 0 HA ASP A 53 -19.079 6.524 -0.785 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -19.726 7.779 1.226 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -21.186 7.303 0.382 1.00 1.00 H new ATOM 881 N ASN A 54 -17.923 6.093 1.843 1.00 1.00 N ATOM 882 CA ASN A 54 -16.803 5.597 2.690 1.00 1.00 C ATOM 883 C ASN A 54 -17.249 4.355 3.461 1.00 1.00 C ATOM 884 O ASN A 54 -18.025 4.428 4.393 1.00 1.00 O ATOM 885 CB ASN A 54 -16.393 6.690 3.681 1.00 1.00 C ATOM 886 CG ASN A 54 -16.236 8.019 2.940 1.00 1.00 C ATOM 887 OD1 ASN A 54 -15.245 8.244 2.275 1.00 1.00 O ATOM 888 ND2 ASN A 54 -17.179 8.916 3.029 1.00 1.00 N ATOM 0 H ASN A 54 -18.274 7.018 2.090 1.00 1.00 H new ATOM 0 HA ASN A 54 -15.956 5.341 2.054 1.00 1.00 H new ATOM 0 HB2 ASN A 54 -17.144 6.785 4.465 1.00 1.00 H new ATOM 0 HB3 ASN A 54 -15.456 6.421 4.169 1.00 1.00 H new ATOM 0 HD21 ASN A 54 -17.084 9.806 2.540 1.00 1.00 H new ATOM 0 HD22 ASN A 54 -18.011 8.727 3.587 1.00 1.00 H new ATOM 895 N THR A 55 -16.749 3.212 3.073 1.00 1.00 N ATOM 896 CA THR A 55 -17.117 1.945 3.767 1.00 1.00 C ATOM 897 C THR A 55 -15.857 1.091 3.926 1.00 1.00 C ATOM 898 O THR A 55 -14.961 1.138 3.107 1.00 1.00 O ATOM 899 CB THR A 55 -18.164 1.188 2.933 1.00 1.00 C ATOM 900 OG1 THR A 55 -18.423 1.911 1.738 1.00 1.00 O ATOM 901 CG2 THR A 55 -19.462 1.043 3.731 1.00 1.00 C ATOM 0 H THR A 55 -16.095 3.102 2.298 1.00 1.00 H new ATOM 0 HA THR A 55 -17.539 2.162 4.748 1.00 1.00 H new ATOM 0 HB THR A 55 -17.782 0.197 2.690 1.00 1.00 H new ATOM 0 HG1 THR A 55 -19.089 1.431 1.203 1.00 1.00 H new ATOM 0 HG21 THR A 55 -20.198 0.506 3.133 1.00 1.00 H new ATOM 0 HG22 THR A 55 -19.265 0.489 4.649 1.00 1.00 H new ATOM 0 HG23 THR A 55 -19.848 2.031 3.980 1.00 1.00 H new ATOM 909 N ASP A 56 -15.780 0.319 4.974 1.00 1.00 N ATOM 910 CA ASP A 56 -14.574 -0.530 5.189 1.00 1.00 C ATOM 911 C ASP A 56 -14.641 -1.765 4.290 1.00 1.00 C ATOM 912 O ASP A 56 -15.528 -2.587 4.413 1.00 1.00 O ATOM 913 CB ASP A 56 -14.518 -0.971 6.653 1.00 1.00 C ATOM 914 CG ASP A 56 -14.567 0.259 7.561 1.00 1.00 C ATOM 915 OD1 ASP A 56 -15.550 0.977 7.500 1.00 1.00 O ATOM 916 OD2 ASP A 56 -13.619 0.462 8.303 1.00 1.00 O ATOM 0 H ASP A 56 -16.500 0.239 5.692 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.681 0.045 4.943 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -15.354 -1.634 6.876 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -13.605 -1.536 6.838 1.00 1.00 H new ATOM 921 N VAL A 57 -13.702 -1.906 3.391 1.00 1.00 N ATOM 922 CA VAL A 57 -13.698 -3.091 2.484 1.00 1.00 C ATOM 923 C VAL A 57 -12.615 -4.072 2.942 1.00 1.00 C ATOM 924 O VAL A 57 -11.749 -3.733 3.726 1.00 1.00 O ATOM 925 CB VAL A 57 -13.424 -2.635 1.045 1.00 1.00 C ATOM 926 CG1 VAL A 57 -14.086 -1.276 0.812 1.00 1.00 C ATOM 927 CG2 VAL A 57 -11.912 -2.512 0.812 1.00 1.00 C ATOM 0 H VAL A 57 -12.935 -1.249 3.246 1.00 1.00 H new ATOM 0 HA VAL A 57 -14.668 -3.586 2.518 1.00 1.00 H new ATOM 0 HB VAL A 57 -13.833 -3.370 0.351 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -13.894 -0.948 -0.210 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -15.161 -1.363 0.969 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -13.675 -0.547 1.510 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -11.727 -2.188 -0.212 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -11.495 -1.781 1.505 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -11.438 -3.480 0.977 1.00 1.00 H new ATOM 937 N LEU A 58 -12.666 -5.286 2.466 1.00 1.00 N ATOM 938 CA LEU A 58 -11.653 -6.304 2.878 1.00 1.00 C ATOM 939 C LEU A 58 -11.231 -7.119 1.650 1.00 1.00 C ATOM 940 O LEU A 58 -12.062 -7.553 0.877 1.00 1.00 O ATOM 941 CB LEU A 58 -12.297 -7.237 3.922 1.00 1.00 C ATOM 942 CG LEU A 58 -11.325 -7.532 5.073 1.00 1.00 C ATOM 943 CD1 LEU A 58 -10.090 -8.259 4.538 1.00 1.00 C ATOM 944 CD2 LEU A 58 -10.902 -6.224 5.757 1.00 1.00 C ATOM 0 H LEU A 58 -13.369 -5.620 1.806 1.00 1.00 H new ATOM 0 HA LEU A 58 -10.776 -5.817 3.305 1.00 1.00 H new ATOM 0 HB2 LEU A 58 -13.203 -6.777 4.316 1.00 1.00 H new ATOM 0 HB3 LEU A 58 -12.595 -8.171 3.445 1.00 1.00 H new ATOM 0 HG LEU A 58 -11.827 -8.167 5.803 1.00 1.00 H new ATOM 0 HD11 LEU A 58 -9.405 -8.465 5.360 1.00 1.00 H new ATOM 0 HD12 LEU A 58 -10.393 -9.198 4.074 1.00 1.00 H new ATOM 0 HD13 LEU A 58 -9.591 -7.633 3.798 1.00 1.00 H new ATOM 0 HD21 LEU A 58 -10.213 -6.446 6.572 1.00 1.00 H new ATOM 0 HD22 LEU A 58 -10.410 -5.577 5.031 1.00 1.00 H new ATOM 0 HD23 LEU A 58 -11.783 -5.720 6.154 1.00 1.00 H new ATOM 956 N SER A 59 -9.954 -7.338 1.454 1.00 1.00 N ATOM 957 CA SER A 59 -9.535 -8.134 0.264 1.00 1.00 C ATOM 958 C SER A 59 -10.274 -9.476 0.284 1.00 1.00 C ATOM 959 O SER A 59 -10.713 -9.938 1.318 1.00 1.00 O ATOM 960 CB SER A 59 -8.017 -8.350 0.271 1.00 1.00 C ATOM 961 OG SER A 59 -7.727 -9.696 -0.084 1.00 1.00 O ATOM 0 H SER A 59 -9.199 -7.007 2.054 1.00 1.00 H new ATOM 0 HA SER A 59 -9.789 -7.594 -0.648 1.00 1.00 H new ATOM 0 HB2 SER A 59 -7.539 -7.667 -0.431 1.00 1.00 H new ATOM 0 HB3 SER A 59 -7.612 -8.128 1.258 1.00 1.00 H new ATOM 0 HG SER A 59 -7.105 -9.708 -0.841 1.00 1.00 H new ATOM 967 N ARG A 60 -10.448 -10.086 -0.858 1.00 1.00 N ATOM 968 CA ARG A 60 -11.197 -11.377 -0.913 1.00 1.00 C ATOM 969 C ARG A 60 -10.289 -12.558 -0.565 1.00 1.00 C ATOM 970 O ARG A 60 -10.710 -13.698 -0.608 1.00 1.00 O ATOM 971 CB ARG A 60 -11.758 -11.573 -2.322 1.00 1.00 C ATOM 972 CG ARG A 60 -12.609 -10.361 -2.707 1.00 1.00 C ATOM 973 CD ARG A 60 -13.252 -10.601 -4.075 1.00 1.00 C ATOM 974 NE ARG A 60 -13.808 -9.320 -4.593 1.00 1.00 N ATOM 975 CZ ARG A 60 -14.088 -9.196 -5.862 1.00 1.00 C ATOM 976 NH1 ARG A 60 -13.880 -10.194 -6.677 1.00 1.00 N ATOM 977 NH2 ARG A 60 -14.578 -8.074 -6.315 1.00 1.00 N ATOM 0 H ARG A 60 -10.104 -9.747 -1.756 1.00 1.00 H new ATOM 0 HA ARG A 60 -12.006 -11.337 -0.183 1.00 1.00 H new ATOM 0 HB2 ARG A 60 -10.943 -11.699 -3.035 1.00 1.00 H new ATOM 0 HB3 ARG A 60 -12.360 -12.481 -2.362 1.00 1.00 H new ATOM 0 HG2 ARG A 60 -13.380 -10.192 -1.956 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -11.991 -9.464 -2.737 1.00 1.00 H new ATOM 0 HD2 ARG A 60 -12.513 -10.997 -4.772 1.00 1.00 H new ATOM 0 HD3 ARG A 60 -14.043 -11.346 -3.991 1.00 1.00 H new ATOM 0 HE ARG A 60 -13.970 -8.540 -3.956 1.00 1.00 H new ATOM 0 HH11 ARG A 60 -13.499 -11.071 -6.322 1.00 1.00 H new ATOM 0 HH12 ARG A 60 -14.099 -10.097 -7.668 1.00 1.00 H new ATOM 0 HH21 ARG A 60 -14.742 -7.295 -5.678 1.00 1.00 H new ATOM 0 HH22 ARG A 60 -14.797 -7.977 -7.306 1.00 1.00 H new ATOM 991 N ASP A 61 -9.054 -12.317 -0.223 1.00 1.00 N ATOM 992 CA ASP A 61 -8.161 -13.461 0.119 1.00 1.00 C ATOM 993 C ASP A 61 -6.807 -12.949 0.602 1.00 1.00 C ATOM 994 O ASP A 61 -6.597 -12.746 1.781 1.00 1.00 O ATOM 995 CB ASP A 61 -7.963 -14.338 -1.120 1.00 1.00 C ATOM 996 CG ASP A 61 -7.743 -13.451 -2.346 1.00 1.00 C ATOM 997 OD1 ASP A 61 -8.724 -12.959 -2.880 1.00 1.00 O ATOM 998 OD2 ASP A 61 -6.598 -13.276 -2.729 1.00 1.00 O ATOM 0 H ASP A 61 -8.628 -11.392 -0.166 1.00 1.00 H new ATOM 0 HA ASP A 61 -8.622 -14.045 0.915 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -7.107 -14.998 -0.978 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -8.835 -14.974 -1.271 1.00 1.00 H new ATOM 1003 N ALA A 62 -5.879 -12.750 -0.294 1.00 1.00 N ATOM 1004 CA ALA A 62 -4.536 -12.265 0.131 1.00 1.00 C ATOM 1005 C ALA A 62 -3.962 -11.314 -0.918 1.00 1.00 C ATOM 1006 O ALA A 62 -4.450 -11.220 -2.027 1.00 1.00 O ATOM 1007 CB ALA A 62 -3.597 -13.461 0.303 1.00 1.00 C ATOM 0 H ALA A 62 -5.992 -12.901 -1.296 1.00 1.00 H new ATOM 0 HA ALA A 62 -4.633 -11.732 1.077 1.00 1.00 H new ATOM 0 HB1 ALA A 62 -2.613 -13.109 0.614 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -3.999 -14.133 1.061 1.00 1.00 H new ATOM 0 HB3 ALA A 62 -3.509 -13.994 -0.644 1.00 1.00 H new ATOM 1013 N PHE A 63 -2.920 -10.612 -0.569 1.00 1.00 N ATOM 1014 CA PHE A 63 -2.291 -9.663 -1.527 1.00 1.00 C ATOM 1015 C PHE A 63 -0.803 -9.539 -1.191 1.00 1.00 C ATOM 1016 O PHE A 63 -0.428 -9.401 -0.043 1.00 1.00 O ATOM 1017 CB PHE A 63 -2.965 -8.290 -1.410 1.00 1.00 C ATOM 1018 CG PHE A 63 -4.180 -8.242 -2.306 1.00 1.00 C ATOM 1019 CD1 PHE A 63 -5.404 -8.754 -1.857 1.00 1.00 C ATOM 1020 CD2 PHE A 63 -4.083 -7.686 -3.587 1.00 1.00 C ATOM 1021 CE1 PHE A 63 -6.529 -8.709 -2.689 1.00 1.00 C ATOM 1022 CE2 PHE A 63 -5.208 -7.641 -4.419 1.00 1.00 C ATOM 1023 CZ PHE A 63 -6.431 -8.152 -3.970 1.00 1.00 C ATOM 0 H PHE A 63 -2.474 -10.656 0.347 1.00 1.00 H new ATOM 0 HA PHE A 63 -2.410 -10.030 -2.546 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.256 -8.104 -0.376 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -2.263 -7.504 -1.690 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -5.480 -9.183 -0.869 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -3.139 -7.291 -3.934 1.00 1.00 H new ATOM 0 HE1 PHE A 63 -7.473 -9.104 -2.343 1.00 1.00 H new ATOM 0 HE2 PHE A 63 -5.132 -7.212 -5.407 1.00 1.00 H new ATOM 0 HZ PHE A 63 -7.299 -8.117 -4.611 1.00 1.00 H new ATOM 1033 N LEU A 64 0.045 -9.596 -2.180 1.00 1.00 N ATOM 1034 CA LEU A 64 1.507 -9.490 -1.919 1.00 1.00 C ATOM 1035 C LEU A 64 1.886 -8.021 -1.738 1.00 1.00 C ATOM 1036 O LEU A 64 1.819 -7.238 -2.665 1.00 1.00 O ATOM 1037 CB LEU A 64 2.272 -10.070 -3.116 1.00 1.00 C ATOM 1038 CG LEU A 64 3.710 -10.434 -2.710 1.00 1.00 C ATOM 1039 CD1 LEU A 64 4.258 -11.492 -3.670 1.00 1.00 C ATOM 1040 CD2 LEU A 64 4.604 -9.190 -2.774 1.00 1.00 C ATOM 0 H LEU A 64 -0.213 -9.712 -3.160 1.00 1.00 H new ATOM 0 HA LEU A 64 1.761 -10.043 -1.015 1.00 1.00 H new ATOM 0 HB2 LEU A 64 1.758 -10.956 -3.489 1.00 1.00 H new ATOM 0 HB3 LEU A 64 2.290 -9.345 -3.930 1.00 1.00 H new ATOM 0 HG LEU A 64 3.703 -10.823 -1.692 1.00 1.00 H new ATOM 0 HD11 LEU A 64 5.277 -11.751 -3.383 1.00 1.00 H new ATOM 0 HD12 LEU A 64 3.631 -12.383 -3.626 1.00 1.00 H new ATOM 0 HD13 LEU A 64 4.256 -11.097 -4.686 1.00 1.00 H new ATOM 0 HD21 LEU A 64 5.620 -9.457 -2.485 1.00 1.00 H new ATOM 0 HD22 LEU A 64 4.607 -8.796 -3.790 1.00 1.00 H new ATOM 0 HD23 LEU A 64 4.221 -8.431 -2.092 1.00 1.00 H new ATOM 1052 N LEU A 65 2.284 -7.633 -0.553 1.00 1.00 N ATOM 1053 CA LEU A 65 2.669 -6.208 -0.336 1.00 1.00 C ATOM 1054 C LEU A 65 4.121 -6.124 0.151 1.00 1.00 C ATOM 1055 O LEU A 65 4.513 -6.823 1.064 1.00 1.00 O ATOM 1056 CB LEU A 65 1.770 -5.547 0.721 1.00 1.00 C ATOM 1057 CG LEU A 65 0.781 -6.542 1.319 1.00 1.00 C ATOM 1058 CD1 LEU A 65 0.324 -6.003 2.676 1.00 1.00 C ATOM 1059 CD2 LEU A 65 -0.427 -6.673 0.384 1.00 1.00 C ATOM 0 H LEU A 65 2.358 -8.236 0.266 1.00 1.00 H new ATOM 0 HA LEU A 65 2.554 -5.688 -1.287 1.00 1.00 H new ATOM 0 HB2 LEU A 65 2.389 -5.127 1.514 1.00 1.00 H new ATOM 0 HB3 LEU A 65 1.225 -4.718 0.269 1.00 1.00 H new ATOM 0 HG LEU A 65 1.247 -7.520 1.441 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -0.385 -6.699 3.124 1.00 1.00 H new ATOM 0 HD12 LEU A 65 1.187 -5.892 3.333 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -0.156 -5.034 2.540 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -1.138 -7.383 0.806 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -0.908 -5.701 0.272 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -0.095 -7.028 -0.592 1.00 1.00 H new ATOM 1071 N PRO A 66 4.901 -5.241 -0.420 1.00 1.00 N ATOM 1072 CA PRO A 66 6.309 -5.034 0.007 1.00 1.00 C ATOM 1073 C PRO A 66 6.340 -4.264 1.330 1.00 1.00 C ATOM 1074 O PRO A 66 5.434 -3.511 1.625 1.00 1.00 O ATOM 1075 CB PRO A 66 6.924 -4.210 -1.129 1.00 1.00 C ATOM 1076 CG PRO A 66 5.777 -3.510 -1.784 1.00 1.00 C ATOM 1077 CD PRO A 66 4.527 -4.351 -1.528 1.00 1.00 C ATOM 0 HA PRO A 66 6.852 -5.964 0.177 1.00 1.00 H new ATOM 0 HB2 PRO A 66 7.652 -3.495 -0.745 1.00 1.00 H new ATOM 0 HB3 PRO A 66 7.449 -4.850 -1.838 1.00 1.00 H new ATOM 0 HG2 PRO A 66 5.655 -2.507 -1.376 1.00 1.00 H new ATOM 0 HG3 PRO A 66 5.954 -3.400 -2.854 1.00 1.00 H new ATOM 0 HD2 PRO A 66 3.675 -3.725 -1.263 1.00 1.00 H new ATOM 0 HD3 PRO A 66 4.243 -4.919 -2.414 1.00 1.00 H new ATOM 1085 N GLN A 67 7.340 -4.453 2.145 1.00 1.00 N ATOM 1086 CA GLN A 67 7.363 -3.721 3.446 1.00 1.00 C ATOM 1087 C GLN A 67 8.799 -3.381 3.842 1.00 1.00 C ATOM 1088 O GLN A 67 9.683 -4.213 3.800 1.00 1.00 O ATOM 1089 CB GLN A 67 6.732 -4.591 4.536 1.00 1.00 C ATOM 1090 CG GLN A 67 5.345 -5.054 4.084 1.00 1.00 C ATOM 1091 CD GLN A 67 4.633 -5.743 5.250 1.00 1.00 C ATOM 1092 OE1 GLN A 67 3.459 -5.524 5.476 1.00 1.00 O ATOM 1093 NE2 GLN A 67 5.298 -6.574 6.006 1.00 1.00 N ATOM 0 H GLN A 67 8.132 -5.072 1.973 1.00 1.00 H new ATOM 0 HA GLN A 67 6.797 -2.796 3.336 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.366 -5.454 4.739 1.00 1.00 H new ATOM 0 HB3 GLN A 67 6.653 -4.027 5.465 1.00 1.00 H new ATOM 0 HG2 GLN A 67 4.760 -4.202 3.739 1.00 1.00 H new ATOM 0 HG3 GLN A 67 5.435 -5.740 3.242 1.00 1.00 H new ATOM 0 HE21 GLN A 67 6.283 -6.759 5.817 1.00 1.00 H new ATOM 0 HE22 GLN A 67 4.832 -7.039 6.785 1.00 1.00 H new ATOM 1102 N CYS A 68 9.031 -2.159 4.240 1.00 1.00 N ATOM 1103 CA CYS A 68 10.406 -1.755 4.659 1.00 1.00 C ATOM 1104 C CYS A 68 10.530 -1.893 6.178 1.00 1.00 C ATOM 1105 O CYS A 68 9.639 -1.518 6.914 1.00 1.00 O ATOM 1106 CB CYS A 68 10.644 -0.300 4.262 1.00 1.00 C ATOM 1107 SG CYS A 68 10.183 -0.069 2.529 1.00 1.00 S ATOM 0 H CYS A 68 8.328 -1.422 4.293 1.00 1.00 H new ATOM 0 HA CYS A 68 11.143 -2.393 4.172 1.00 1.00 H new ATOM 0 HB2 CYS A 68 10.057 0.363 4.898 1.00 1.00 H new ATOM 0 HB3 CYS A 68 11.692 -0.038 4.409 1.00 1.00 H new ATOM 1112 N ASP A 69 11.624 -2.431 6.657 1.00 1.00 N ATOM 1113 CA ASP A 69 11.792 -2.593 8.135 1.00 1.00 C ATOM 1114 C ASP A 69 13.161 -2.061 8.573 1.00 1.00 C ATOM 1115 O ASP A 69 14.190 -2.603 8.223 1.00 1.00 O ATOM 1116 CB ASP A 69 11.690 -4.078 8.494 1.00 1.00 C ATOM 1117 CG ASP A 69 11.554 -4.229 10.010 1.00 1.00 C ATOM 1118 OD1 ASP A 69 10.984 -3.344 10.624 1.00 1.00 O ATOM 1119 OD2 ASP A 69 12.023 -5.229 10.529 1.00 1.00 O ATOM 0 H ASP A 69 12.405 -2.764 6.092 1.00 1.00 H new ATOM 0 HA ASP A 69 11.011 -2.030 8.646 1.00 1.00 H new ATOM 0 HB2 ASP A 69 10.830 -4.525 7.995 1.00 1.00 H new ATOM 0 HB3 ASP A 69 12.575 -4.609 8.143 1.00 1.00 H new ATOM 1124 N ARG A 70 13.179 -1.006 9.346 1.00 1.00 N ATOM 1125 CA ARG A 70 14.479 -0.444 9.819 1.00 1.00 C ATOM 1126 C ARG A 70 14.975 -1.252 11.018 1.00 1.00 C ATOM 1127 O ARG A 70 14.224 -1.561 11.923 1.00 1.00 O ATOM 1128 CB ARG A 70 14.283 1.019 10.232 1.00 1.00 C ATOM 1129 CG ARG A 70 15.621 1.612 10.706 1.00 1.00 C ATOM 1130 CD ARG A 70 15.664 1.652 12.237 1.00 1.00 C ATOM 1131 NE ARG A 70 14.895 2.831 12.725 1.00 1.00 N ATOM 1132 CZ ARG A 70 14.874 3.116 13.997 1.00 1.00 C ATOM 1133 NH1 ARG A 70 15.524 2.366 14.845 1.00 1.00 N ATOM 1134 NH2 ARG A 70 14.201 4.151 14.424 1.00 1.00 N ATOM 0 H ARG A 70 12.349 -0.509 9.670 1.00 1.00 H new ATOM 0 HA ARG A 70 15.214 -0.498 9.016 1.00 1.00 H new ATOM 0 HB2 ARG A 70 13.897 1.595 9.391 1.00 1.00 H new ATOM 0 HB3 ARG A 70 13.543 1.085 11.030 1.00 1.00 H new ATOM 0 HG2 ARG A 70 16.449 1.013 10.326 1.00 1.00 H new ATOM 0 HG3 ARG A 70 15.745 2.618 10.304 1.00 1.00 H new ATOM 0 HD2 ARG A 70 15.243 0.734 12.647 1.00 1.00 H new ATOM 0 HD3 ARG A 70 16.697 1.710 12.581 1.00 1.00 H new ATOM 0 HE ARG A 70 14.384 3.416 12.063 1.00 1.00 H new ATOM 0 HH11 ARG A 70 16.048 1.557 14.512 1.00 1.00 H new ATOM 0 HH12 ARG A 70 15.507 2.589 15.840 1.00 1.00 H new ATOM 0 HH21 ARG A 70 13.692 4.737 13.762 1.00 1.00 H new ATOM 0 HH22 ARG A 70 14.185 4.374 15.419 1.00 1.00 H new ATOM 1148 N ILE A 71 16.233 -1.602 11.035 1.00 1.00 N ATOM 1149 CA ILE A 71 16.774 -2.395 12.177 1.00 1.00 C ATOM 1150 C ILE A 71 18.233 -2.007 12.430 1.00 1.00 C ATOM 1151 O ILE A 71 18.687 -1.973 13.557 1.00 1.00 O ATOM 1152 CB ILE A 71 16.700 -3.887 11.843 1.00 1.00 C ATOM 1153 CG1 ILE A 71 15.283 -4.236 11.376 1.00 1.00 C ATOM 1154 CG2 ILE A 71 17.044 -4.707 13.088 1.00 1.00 C ATOM 1155 CD1 ILE A 71 15.151 -5.753 11.225 1.00 1.00 C ATOM 0 H ILE A 71 16.910 -1.373 10.307 1.00 1.00 H new ATOM 0 HA ILE A 71 16.183 -2.188 13.069 1.00 1.00 H new ATOM 0 HB ILE A 71 17.411 -4.117 11.050 1.00 1.00 H new ATOM 0 HG12 ILE A 71 14.551 -3.867 12.095 1.00 1.00 H new ATOM 0 HG13 ILE A 71 15.072 -3.746 10.426 1.00 1.00 H new ATOM 0 HG21 ILE A 71 16.991 -5.769 12.850 1.00 1.00 H new ATOM 0 HG22 ILE A 71 18.052 -4.459 13.420 1.00 1.00 H new ATOM 0 HG23 ILE A 71 16.334 -4.478 13.882 1.00 1.00 H new ATOM 0 HD11 ILE A 71 14.142 -5.999 10.893 1.00 1.00 H new ATOM 0 HD12 ILE A 71 15.872 -6.110 10.490 1.00 1.00 H new ATOM 0 HD13 ILE A 71 15.344 -6.232 12.185 1.00 1.00 H new ATOM 1167 N LYS A 72 18.972 -1.724 11.390 1.00 1.00 N ATOM 1168 CA LYS A 72 20.408 -1.347 11.563 1.00 1.00 C ATOM 1169 C LYS A 72 20.685 -0.024 10.839 1.00 1.00 C ATOM 1170 O LYS A 72 19.887 0.442 10.049 1.00 1.00 O ATOM 1171 CB LYS A 72 21.289 -2.458 10.977 1.00 1.00 C ATOM 1172 CG LYS A 72 22.676 -2.416 11.621 1.00 1.00 C ATOM 1173 CD LYS A 72 23.617 -3.368 10.877 1.00 1.00 C ATOM 1174 CE LYS A 72 23.107 -4.805 11.008 1.00 1.00 C ATOM 1175 NZ LYS A 72 24.229 -5.753 10.751 1.00 1.00 N ATOM 0 H LYS A 72 18.643 -1.737 10.425 1.00 1.00 H new ATOM 0 HA LYS A 72 20.633 -1.223 12.622 1.00 1.00 H new ATOM 0 HB2 LYS A 72 20.827 -3.430 11.150 1.00 1.00 H new ATOM 0 HB3 LYS A 72 21.376 -2.334 9.898 1.00 1.00 H new ATOM 0 HG2 LYS A 72 23.071 -1.401 11.591 1.00 1.00 H new ATOM 0 HG3 LYS A 72 22.609 -2.701 12.671 1.00 1.00 H new ATOM 0 HD2 LYS A 72 23.677 -3.088 9.825 1.00 1.00 H new ATOM 0 HD3 LYS A 72 24.625 -3.291 11.285 1.00 1.00 H new ATOM 0 HE2 LYS A 72 22.699 -4.969 12.006 1.00 1.00 H new ATOM 0 HE3 LYS A 72 22.297 -4.981 10.300 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 23.885 -6.730 10.839 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 24.598 -5.602 9.791 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 24.987 -5.589 11.443 1.00 1.00 H new ATOM 1189 N LEU A 73 21.808 0.588 11.109 1.00 1.00 N ATOM 1190 CA LEU A 73 22.139 1.885 10.447 1.00 1.00 C ATOM 1191 C LEU A 73 21.041 2.906 10.786 1.00 1.00 C ATOM 1192 O LEU A 73 20.058 2.566 11.417 1.00 1.00 O ATOM 1193 CB LEU A 73 22.221 1.672 8.929 1.00 1.00 C ATOM 1194 CG LEU A 73 22.958 0.364 8.631 1.00 1.00 C ATOM 1195 CD1 LEU A 73 23.151 0.221 7.120 1.00 1.00 C ATOM 1196 CD2 LEU A 73 24.327 0.383 9.316 1.00 1.00 C ATOM 0 H LEU A 73 22.513 0.245 11.762 1.00 1.00 H new ATOM 0 HA LEU A 73 23.100 2.259 10.801 1.00 1.00 H new ATOM 0 HB2 LEU A 73 21.219 1.641 8.502 1.00 1.00 H new ATOM 0 HB3 LEU A 73 22.741 2.508 8.462 1.00 1.00 H new ATOM 0 HG LEU A 73 22.373 -0.476 9.006 1.00 1.00 H new ATOM 0 HD11 LEU A 73 23.676 -0.710 6.907 1.00 1.00 H new ATOM 0 HD12 LEU A 73 22.178 0.210 6.628 1.00 1.00 H new ATOM 0 HD13 LEU A 73 23.737 1.061 6.747 1.00 1.00 H new ATOM 0 HD21 LEU A 73 24.853 -0.548 9.104 1.00 1.00 H new ATOM 0 HD22 LEU A 73 24.911 1.223 8.939 1.00 1.00 H new ATOM 0 HD23 LEU A 73 24.194 0.488 10.393 1.00 1.00 H new ATOM 1208 N PRO A 74 21.196 4.149 10.387 1.00 1.00 N ATOM 1209 CA PRO A 74 20.201 5.211 10.671 1.00 1.00 C ATOM 1210 C PRO A 74 19.166 5.365 9.552 1.00 1.00 C ATOM 1211 O PRO A 74 18.004 5.616 9.804 1.00 1.00 O ATOM 1212 CB PRO A 74 21.069 6.466 10.786 1.00 1.00 C ATOM 1213 CG PRO A 74 22.285 6.205 9.937 1.00 1.00 C ATOM 1214 CD PRO A 74 22.327 4.697 9.629 1.00 1.00 C ATOM 0 HA PRO A 74 19.610 4.996 11.561 1.00 1.00 H new ATOM 0 HB2 PRO A 74 20.530 7.347 10.437 1.00 1.00 H new ATOM 0 HB3 PRO A 74 21.349 6.654 11.823 1.00 1.00 H new ATOM 0 HG2 PRO A 74 22.238 6.783 9.014 1.00 1.00 H new ATOM 0 HG3 PRO A 74 23.190 6.514 10.460 1.00 1.00 H new ATOM 0 HD2 PRO A 74 22.223 4.505 8.561 1.00 1.00 H new ATOM 0 HD3 PRO A 74 23.271 4.252 9.943 1.00 1.00 H new ATOM 1222 N CYS A 75 19.579 5.223 8.320 1.00 1.00 N ATOM 1223 CA CYS A 75 18.618 5.368 7.185 1.00 1.00 C ATOM 1224 C CYS A 75 18.715 4.148 6.267 1.00 1.00 C ATOM 1225 O CYS A 75 19.034 4.258 5.100 1.00 1.00 O ATOM 1226 CB CYS A 75 18.957 6.634 6.396 1.00 1.00 C ATOM 1227 SG CYS A 75 17.544 7.098 5.362 1.00 1.00 S ATOM 0 H CYS A 75 20.540 5.013 8.050 1.00 1.00 H new ATOM 0 HA CYS A 75 17.603 5.441 7.575 1.00 1.00 H new ATOM 0 HB2 CYS A 75 19.203 7.446 7.080 1.00 1.00 H new ATOM 0 HB3 CYS A 75 19.836 6.463 5.774 1.00 1.00 H new ATOM 1232 N HIS A 76 18.429 2.986 6.788 1.00 1.00 N ATOM 1233 CA HIS A 76 18.488 1.748 5.957 1.00 1.00 C ATOM 1234 C HIS A 76 17.332 0.834 6.362 1.00 1.00 C ATOM 1235 O HIS A 76 16.896 0.845 7.496 1.00 1.00 O ATOM 1236 CB HIS A 76 19.821 1.032 6.194 1.00 1.00 C ATOM 1237 CG HIS A 76 20.098 0.091 5.052 1.00 1.00 C ATOM 1238 ND1 HIS A 76 20.769 0.495 3.906 1.00 1.00 N ATOM 1239 CD2 HIS A 76 19.804 -1.237 4.864 1.00 1.00 C ATOM 1240 CE1 HIS A 76 20.854 -0.570 3.087 1.00 1.00 C ATOM 1241 NE2 HIS A 76 20.281 -1.648 3.626 1.00 1.00 N ATOM 0 H HIS A 76 18.155 2.839 7.760 1.00 1.00 H new ATOM 0 HA HIS A 76 18.407 2.003 4.900 1.00 1.00 H new ATOM 0 HB2 HIS A 76 20.627 1.761 6.281 1.00 1.00 H new ATOM 0 HB3 HIS A 76 19.787 0.480 7.133 1.00 1.00 H new ATOM 0 HD2 HIS A 76 19.282 -1.865 5.570 1.00 1.00 H new ATOM 0 HE1 HIS A 76 21.326 -0.554 2.116 1.00 1.00 H new ATOM 0 HE2 HIS A 76 20.209 -2.579 3.215 1.00 1.00 H new ATOM 1250 N TYR A 77 16.822 0.050 5.450 1.00 1.00 N ATOM 1251 CA TYR A 77 15.683 -0.851 5.799 1.00 1.00 C ATOM 1252 C TYR A 77 15.899 -2.236 5.188 1.00 1.00 C ATOM 1253 O TYR A 77 16.716 -2.422 4.310 1.00 1.00 O ATOM 1254 CB TYR A 77 14.380 -0.255 5.258 1.00 1.00 C ATOM 1255 CG TYR A 77 14.457 1.253 5.296 1.00 1.00 C ATOM 1256 CD1 TYR A 77 15.123 1.948 4.279 1.00 1.00 C ATOM 1257 CD2 TYR A 77 13.860 1.957 6.348 1.00 1.00 C ATOM 1258 CE1 TYR A 77 15.192 3.347 4.314 1.00 1.00 C ATOM 1259 CE2 TYR A 77 13.930 3.355 6.384 1.00 1.00 C ATOM 1260 CZ TYR A 77 14.595 4.049 5.368 1.00 1.00 C ATOM 1261 OH TYR A 77 14.662 5.427 5.403 1.00 1.00 O ATOM 0 H TYR A 77 17.142 -0.006 4.483 1.00 1.00 H new ATOM 0 HA TYR A 77 15.625 -0.946 6.883 1.00 1.00 H new ATOM 0 HB2 TYR A 77 14.210 -0.595 4.236 1.00 1.00 H new ATOM 0 HB3 TYR A 77 13.535 -0.601 5.854 1.00 1.00 H new ATOM 0 HD1 TYR A 77 15.584 1.405 3.467 1.00 1.00 H new ATOM 0 HD2 TYR A 77 13.345 1.422 7.132 1.00 1.00 H new ATOM 0 HE1 TYR A 77 15.705 3.883 3.529 1.00 1.00 H new ATOM 0 HE2 TYR A 77 13.470 3.898 7.197 1.00 1.00 H new ATOM 0 HH TYR A 77 15.533 5.703 5.756 1.00 1.00 H new ATOM 1271 N LYS A 78 15.153 -3.207 5.647 1.00 1.00 N ATOM 1272 CA LYS A 78 15.282 -4.588 5.102 1.00 1.00 C ATOM 1273 C LYS A 78 14.063 -4.886 4.231 1.00 1.00 C ATOM 1274 O LYS A 78 13.000 -4.327 4.428 1.00 1.00 O ATOM 1275 CB LYS A 78 15.343 -5.591 6.259 1.00 1.00 C ATOM 1276 CG LYS A 78 16.739 -5.567 6.898 1.00 1.00 C ATOM 1277 CD LYS A 78 17.661 -6.551 6.171 1.00 1.00 C ATOM 1278 CE LYS A 78 19.111 -6.291 6.581 1.00 1.00 C ATOM 1279 NZ LYS A 78 19.585 -5.024 5.956 1.00 1.00 N ATOM 0 H LYS A 78 14.454 -3.100 6.382 1.00 1.00 H new ATOM 0 HA LYS A 78 16.193 -4.671 4.509 1.00 1.00 H new ATOM 0 HB2 LYS A 78 14.588 -5.345 7.005 1.00 1.00 H new ATOM 0 HB3 LYS A 78 15.117 -6.593 5.895 1.00 1.00 H new ATOM 0 HG2 LYS A 78 17.154 -4.561 6.848 1.00 1.00 H new ATOM 0 HG3 LYS A 78 16.670 -5.831 7.953 1.00 1.00 H new ATOM 0 HD2 LYS A 78 17.381 -7.576 6.415 1.00 1.00 H new ATOM 0 HD3 LYS A 78 17.551 -6.439 5.092 1.00 1.00 H new ATOM 0 HE2 LYS A 78 19.187 -6.224 7.666 1.00 1.00 H new ATOM 0 HE3 LYS A 78 19.743 -7.122 6.268 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 20.624 -5.027 5.911 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 19.197 -4.945 4.994 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 19.265 -4.215 6.526 1.00 1.00 H new ATOM 1293 N LEU A 79 14.207 -5.751 3.263 1.00 1.00 N ATOM 1294 CA LEU A 79 13.056 -6.073 2.371 1.00 1.00 C ATOM 1295 C LEU A 79 12.250 -7.236 2.960 1.00 1.00 C ATOM 1296 O LEU A 79 12.768 -8.309 3.198 1.00 1.00 O ATOM 1297 CB LEU A 79 13.584 -6.464 0.986 1.00 1.00 C ATOM 1298 CG LEU A 79 12.437 -6.985 0.112 1.00 1.00 C ATOM 1299 CD1 LEU A 79 11.284 -5.977 0.108 1.00 1.00 C ATOM 1300 CD2 LEU A 79 12.944 -7.181 -1.319 1.00 1.00 C ATOM 0 H LEU A 79 15.072 -6.248 3.052 1.00 1.00 H new ATOM 0 HA LEU A 79 12.410 -5.199 2.285 1.00 1.00 H new ATOM 0 HB2 LEU A 79 14.052 -5.602 0.510 1.00 1.00 H new ATOM 0 HB3 LEU A 79 14.353 -7.230 1.085 1.00 1.00 H new ATOM 0 HG LEU A 79 12.081 -7.934 0.513 1.00 1.00 H new ATOM 0 HD11 LEU A 79 10.473 -6.354 -0.515 1.00 1.00 H new ATOM 0 HD12 LEU A 79 10.923 -5.833 1.126 1.00 1.00 H new ATOM 0 HD13 LEU A 79 11.635 -5.025 -0.290 1.00 1.00 H new ATOM 0 HD21 LEU A 79 12.132 -7.552 -1.945 1.00 1.00 H new ATOM 0 HD22 LEU A 79 13.300 -6.229 -1.712 1.00 1.00 H new ATOM 0 HD23 LEU A 79 13.761 -7.902 -1.320 1.00 1.00 H new ATOM 1312 N SER A 80 10.981 -7.027 3.185 1.00 1.00 N ATOM 1313 CA SER A 80 10.124 -8.110 3.746 1.00 1.00 C ATOM 1314 C SER A 80 8.725 -7.996 3.135 1.00 1.00 C ATOM 1315 O SER A 80 8.146 -6.931 3.095 1.00 1.00 O ATOM 1316 CB SER A 80 10.034 -7.959 5.264 1.00 1.00 C ATOM 1317 OG SER A 80 8.861 -8.609 5.733 1.00 1.00 O ATOM 0 H SER A 80 10.499 -6.147 3.003 1.00 1.00 H new ATOM 0 HA SER A 80 10.554 -9.083 3.510 1.00 1.00 H new ATOM 0 HB2 SER A 80 10.916 -8.391 5.737 1.00 1.00 H new ATOM 0 HB3 SER A 80 10.012 -6.903 5.535 1.00 1.00 H new ATOM 0 HG SER A 80 8.802 -8.515 6.707 1.00 1.00 H new ATOM 1323 N SER A 81 8.177 -9.078 2.650 1.00 1.00 N ATOM 1324 CA SER A 81 6.818 -9.013 2.036 1.00 1.00 C ATOM 1325 C SER A 81 6.032 -10.279 2.374 1.00 1.00 C ATOM 1326 O SER A 81 6.595 -11.300 2.722 1.00 1.00 O ATOM 1327 CB SER A 81 6.957 -8.896 0.517 1.00 1.00 C ATOM 1328 OG SER A 81 5.702 -8.529 -0.041 1.00 1.00 O ATOM 0 H SER A 81 8.610 -10.002 2.652 1.00 1.00 H new ATOM 0 HA SER A 81 6.287 -8.146 2.429 1.00 1.00 H new ATOM 0 HB2 SER A 81 7.712 -8.151 0.265 1.00 1.00 H new ATOM 0 HB3 SER A 81 7.292 -9.844 0.096 1.00 1.00 H new ATOM 0 HG SER A 81 5.151 -8.100 0.647 1.00 1.00 H new ATOM 1334 N SER A 82 4.732 -10.222 2.274 1.00 1.00 N ATOM 1335 CA SER A 82 3.906 -11.422 2.586 1.00 1.00 C ATOM 1336 C SER A 82 2.535 -11.280 1.930 1.00 1.00 C ATOM 1337 O SER A 82 2.151 -10.212 1.490 1.00 1.00 O ATOM 1338 CB SER A 82 3.740 -11.551 4.100 1.00 1.00 C ATOM 1339 OG SER A 82 5.004 -11.374 4.728 1.00 1.00 O ATOM 0 H SER A 82 4.206 -9.396 1.990 1.00 1.00 H new ATOM 0 HA SER A 82 4.401 -12.313 2.201 1.00 1.00 H new ATOM 0 HB2 SER A 82 3.032 -10.806 4.465 1.00 1.00 H new ATOM 0 HB3 SER A 82 3.330 -12.530 4.350 1.00 1.00 H new ATOM 0 HG SER A 82 5.712 -11.705 4.137 1.00 1.00 H new ATOM 1345 N THR A 83 1.804 -12.358 1.844 1.00 1.00 N ATOM 1346 CA THR A 83 0.471 -12.318 1.205 1.00 1.00 C ATOM 1347 C THR A 83 -0.619 -12.386 2.278 1.00 1.00 C ATOM 1348 O THR A 83 -0.693 -13.327 3.044 1.00 1.00 O ATOM 1349 CB THR A 83 0.371 -13.526 0.277 1.00 1.00 C ATOM 1350 OG1 THR A 83 1.309 -14.511 0.690 1.00 1.00 O ATOM 1351 CG2 THR A 83 0.682 -13.099 -1.157 1.00 1.00 C ATOM 0 H THR A 83 2.083 -13.274 2.196 1.00 1.00 H new ATOM 0 HA THR A 83 0.338 -11.394 0.643 1.00 1.00 H new ATOM 0 HB THR A 83 -0.638 -13.936 0.320 1.00 1.00 H new ATOM 0 HG1 THR A 83 1.248 -15.290 0.098 1.00 1.00 H new ATOM 0 HG21 THR A 83 0.610 -13.963 -1.818 1.00 1.00 H new ATOM 0 HG22 THR A 83 -0.033 -12.340 -1.474 1.00 1.00 H new ATOM 0 HG23 THR A 83 1.691 -12.689 -1.204 1.00 1.00 H new ATOM 1359 N ASN A 84 -1.467 -11.396 2.338 1.00 1.00 N ATOM 1360 CA ASN A 84 -2.553 -11.408 3.363 1.00 1.00 C ATOM 1361 C ASN A 84 -3.669 -10.452 2.935 1.00 1.00 C ATOM 1362 O ASN A 84 -3.466 -9.573 2.121 1.00 1.00 O ATOM 1363 CB ASN A 84 -1.987 -10.958 4.711 1.00 1.00 C ATOM 1364 CG ASN A 84 -1.373 -9.564 4.568 1.00 1.00 C ATOM 1365 OD1 ASN A 84 -1.072 -9.130 3.473 1.00 1.00 O ATOM 1366 ND2 ASN A 84 -1.171 -8.841 5.635 1.00 1.00 N ATOM 0 H ASN A 84 -1.456 -10.581 1.725 1.00 1.00 H new ATOM 0 HA ASN A 84 -2.954 -12.417 3.455 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -2.777 -10.944 5.462 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -1.233 -11.666 5.055 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -0.760 -7.911 5.551 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -1.424 -9.206 6.553 1.00 1.00 H new ATOM 1373 N THR A 85 -4.851 -10.616 3.471 1.00 1.00 N ATOM 1374 CA THR A 85 -5.970 -9.717 3.087 1.00 1.00 C ATOM 1375 C THR A 85 -5.634 -8.295 3.542 1.00 1.00 C ATOM 1376 O THR A 85 -4.605 -8.056 4.142 1.00 1.00 O ATOM 1377 CB THR A 85 -7.262 -10.203 3.770 1.00 1.00 C ATOM 1378 OG1 THR A 85 -7.015 -11.457 4.389 1.00 1.00 O ATOM 1379 CG2 THR A 85 -8.385 -10.360 2.740 1.00 1.00 C ATOM 0 H THR A 85 -5.085 -11.334 4.157 1.00 1.00 H new ATOM 0 HA THR A 85 -6.115 -9.726 2.007 1.00 1.00 H new ATOM 0 HB THR A 85 -7.569 -9.469 4.515 1.00 1.00 H new ATOM 0 HG1 THR A 85 -6.832 -12.131 3.701 1.00 1.00 H new ATOM 0 HG21 THR A 85 -9.291 -10.704 3.239 1.00 1.00 H new ATOM 0 HG22 THR A 85 -8.577 -9.400 2.262 1.00 1.00 H new ATOM 0 HG23 THR A 85 -8.087 -11.088 1.986 1.00 1.00 H new ATOM 1387 N ILE A 86 -6.480 -7.344 3.249 1.00 1.00 N ATOM 1388 CA ILE A 86 -6.187 -5.939 3.652 1.00 1.00 C ATOM 1389 C ILE A 86 -7.486 -5.214 4.001 1.00 1.00 C ATOM 1390 O ILE A 86 -8.535 -5.510 3.466 1.00 1.00 O ATOM 1391 CB ILE A 86 -5.501 -5.222 2.485 1.00 1.00 C ATOM 1392 CG1 ILE A 86 -6.514 -4.964 1.362 1.00 1.00 C ATOM 1393 CG2 ILE A 86 -4.374 -6.104 1.948 1.00 1.00 C ATOM 1394 CD1 ILE A 86 -5.793 -4.376 0.147 1.00 1.00 C ATOM 0 H ILE A 86 -7.359 -7.479 2.749 1.00 1.00 H new ATOM 0 HA ILE A 86 -5.536 -5.939 4.526 1.00 1.00 H new ATOM 0 HB ILE A 86 -5.099 -4.271 2.834 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -7.012 -5.894 1.087 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -7.287 -4.277 1.706 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -3.882 -5.599 1.117 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -3.649 -6.290 2.740 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.787 -7.052 1.603 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -6.513 -4.193 -0.650 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -5.315 -3.437 0.427 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -5.036 -5.078 -0.202 1.00 1.00 H new ATOM 1406 N CYS A 87 -7.416 -4.250 4.880 1.00 1.00 N ATOM 1407 CA CYS A 87 -8.627 -3.481 5.258 1.00 1.00 C ATOM 1408 C CYS A 87 -8.427 -2.037 4.794 1.00 1.00 C ATOM 1409 O CYS A 87 -7.435 -1.409 5.103 1.00 1.00 O ATOM 1410 CB CYS A 87 -8.800 -3.539 6.783 1.00 1.00 C ATOM 1411 SG CYS A 87 -7.185 -3.835 7.555 1.00 1.00 S ATOM 0 H CYS A 87 -6.560 -3.963 5.355 1.00 1.00 H new ATOM 0 HA CYS A 87 -9.521 -3.896 4.792 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -9.226 -2.604 7.149 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -9.496 -4.333 7.052 1.00 1.00 H new ATOM 1416 N ILE A 88 -9.340 -1.513 4.028 1.00 1.00 N ATOM 1417 CA ILE A 88 -9.176 -0.113 3.534 1.00 1.00 C ATOM 1418 C ILE A 88 -10.559 0.490 3.277 1.00 1.00 C ATOM 1419 O ILE A 88 -11.517 -0.218 3.045 1.00 1.00 O ATOM 1420 CB ILE A 88 -8.320 -0.120 2.245 1.00 1.00 C ATOM 1421 CG1 ILE A 88 -8.973 0.729 1.144 1.00 1.00 C ATOM 1422 CG2 ILE A 88 -8.161 -1.557 1.738 1.00 1.00 C ATOM 1423 CD1 ILE A 88 -8.009 0.876 -0.040 1.00 1.00 C ATOM 0 H ILE A 88 -10.189 -1.988 3.722 1.00 1.00 H new ATOM 0 HA ILE A 88 -8.664 0.496 4.279 1.00 1.00 H new ATOM 0 HB ILE A 88 -7.345 0.304 2.484 1.00 1.00 H new ATOM 0 HG12 ILE A 88 -9.901 0.261 0.814 1.00 1.00 H new ATOM 0 HG13 ILE A 88 -9.234 1.712 1.537 1.00 1.00 H new ATOM 0 HG21 ILE A 88 -7.558 -1.558 0.830 1.00 1.00 H new ATOM 0 HG22 ILE A 88 -7.669 -2.160 2.501 1.00 1.00 H new ATOM 0 HG23 ILE A 88 -9.143 -1.977 1.521 1.00 1.00 H new ATOM 0 HD11 ILE A 88 -8.477 1.479 -0.818 1.00 1.00 H new ATOM 0 HD12 ILE A 88 -7.093 1.363 0.295 1.00 1.00 H new ATOM 0 HD13 ILE A 88 -7.770 -0.110 -0.439 1.00 1.00 H new ATOM 1435 N THR A 89 -10.676 1.793 3.322 1.00 1.00 N ATOM 1436 CA THR A 89 -12.006 2.429 3.083 1.00 1.00 C ATOM 1437 C THR A 89 -12.045 3.021 1.671 1.00 1.00 C ATOM 1438 O THR A 89 -11.090 3.622 1.204 1.00 1.00 O ATOM 1439 CB THR A 89 -12.254 3.518 4.144 1.00 1.00 C ATOM 1440 OG1 THR A 89 -13.077 2.983 5.171 1.00 1.00 O ATOM 1441 CG2 THR A 89 -12.950 4.734 3.524 1.00 1.00 C ATOM 0 H THR A 89 -9.912 2.441 3.513 1.00 1.00 H new ATOM 0 HA THR A 89 -12.795 1.681 3.165 1.00 1.00 H new ATOM 0 HB THR A 89 -11.295 3.837 4.551 1.00 1.00 H new ATOM 0 HG1 THR A 89 -13.239 3.669 5.852 1.00 1.00 H new ATOM 0 HG21 THR A 89 -13.115 5.490 4.292 1.00 1.00 H new ATOM 0 HG22 THR A 89 -12.323 5.149 2.735 1.00 1.00 H new ATOM 0 HG23 THR A 89 -13.908 4.429 3.103 1.00 1.00 H new ATOM 1449 N CYS A 90 -13.154 2.845 0.995 1.00 1.00 N ATOM 1450 CA CYS A 90 -13.305 3.375 -0.395 1.00 1.00 C ATOM 1451 C CYS A 90 -14.576 4.230 -0.469 1.00 1.00 C ATOM 1452 O CYS A 90 -15.536 3.984 0.233 1.00 1.00 O ATOM 1453 CB CYS A 90 -13.421 2.195 -1.366 1.00 1.00 C ATOM 1454 SG CYS A 90 -13.020 2.739 -3.044 1.00 1.00 S ATOM 0 H CYS A 90 -13.971 2.350 1.353 1.00 1.00 H new ATOM 0 HA CYS A 90 -12.441 3.984 -0.661 1.00 1.00 H new ATOM 0 HB2 CYS A 90 -12.746 1.395 -1.062 1.00 1.00 H new ATOM 0 HB3 CYS A 90 -14.431 1.787 -1.338 1.00 1.00 H new ATOM 1459 N VAL A 91 -14.591 5.236 -1.307 1.00 1.00 N ATOM 1460 CA VAL A 91 -15.804 6.106 -1.410 1.00 1.00 C ATOM 1461 C VAL A 91 -16.699 5.632 -2.560 1.00 1.00 C ATOM 1462 O VAL A 91 -16.882 4.451 -2.772 1.00 1.00 O ATOM 1463 CB VAL A 91 -15.375 7.554 -1.657 1.00 1.00 C ATOM 1464 CG1 VAL A 91 -16.498 8.510 -1.234 1.00 1.00 C ATOM 1465 CG2 VAL A 91 -14.122 7.852 -0.832 1.00 1.00 C ATOM 0 H VAL A 91 -13.819 5.492 -1.923 1.00 1.00 H new ATOM 0 HA VAL A 91 -16.365 6.045 -0.477 1.00 1.00 H new ATOM 0 HB VAL A 91 -15.165 7.693 -2.718 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -16.186 9.539 -1.412 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -17.395 8.297 -1.815 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -16.711 8.374 -0.174 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -13.810 8.882 -1.003 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -14.341 7.710 0.226 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -13.321 7.176 -1.131 1.00 1.00 H new ATOM 1475 N ASN A 92 -17.264 6.551 -3.298 1.00 1.00 N ATOM 1476 CA ASN A 92 -18.158 6.164 -4.429 1.00 1.00 C ATOM 1477 C ASN A 92 -17.512 5.054 -5.245 1.00 1.00 C ATOM 1478 O ASN A 92 -18.141 4.085 -5.618 1.00 1.00 O ATOM 1479 CB ASN A 92 -18.401 7.380 -5.325 1.00 1.00 C ATOM 1480 CG ASN A 92 -19.386 8.331 -4.643 1.00 1.00 C ATOM 1481 OD1 ASN A 92 -20.088 9.073 -5.301 1.00 1.00 O ATOM 1482 ND2 ASN A 92 -19.468 8.341 -3.341 1.00 1.00 N ATOM 0 H ASN A 92 -17.145 7.555 -3.166 1.00 1.00 H new ATOM 0 HA ASN A 92 -19.107 5.808 -4.029 1.00 1.00 H new ATOM 0 HB2 ASN A 92 -17.460 7.894 -5.521 1.00 1.00 H new ATOM 0 HB3 ASN A 92 -18.796 7.061 -6.289 1.00 1.00 H new ATOM 0 HD21 ASN A 92 -20.121 8.971 -2.876 1.00 1.00 H new ATOM 0 HD22 ASN A 92 -18.879 7.718 -2.788 1.00 1.00 H new ATOM 1489 N GLN A 93 -16.260 5.197 -5.513 1.00 1.00 N ATOM 1490 CA GLN A 93 -15.534 4.164 -6.302 1.00 1.00 C ATOM 1491 C GLN A 93 -14.065 4.563 -6.435 1.00 1.00 C ATOM 1492 O GLN A 93 -13.521 4.616 -7.519 1.00 1.00 O ATOM 1493 CB GLN A 93 -16.163 4.042 -7.693 1.00 1.00 C ATOM 1494 CG GLN A 93 -16.383 5.438 -8.279 1.00 1.00 C ATOM 1495 CD GLN A 93 -16.975 5.314 -9.684 1.00 1.00 C ATOM 1496 OE1 GLN A 93 -16.270 5.439 -10.666 1.00 1.00 O ATOM 1497 NE2 GLN A 93 -18.249 5.070 -9.823 1.00 1.00 N ATOM 0 H GLN A 93 -15.693 5.992 -5.220 1.00 1.00 H new ATOM 0 HA GLN A 93 -15.603 3.204 -5.791 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -15.514 3.460 -8.347 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -17.112 3.509 -7.629 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -17.054 6.011 -7.639 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -15.439 5.981 -8.317 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -18.841 4.965 -8.999 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -18.653 4.984 -10.756 1.00 1.00 H new ATOM 1506 N LEU A 94 -13.424 4.844 -5.336 1.00 1.00 N ATOM 1507 CA LEU A 94 -11.987 5.241 -5.378 1.00 1.00 C ATOM 1508 C LEU A 94 -11.362 4.955 -3.999 1.00 1.00 C ATOM 1509 O LEU A 94 -11.740 5.560 -3.016 1.00 1.00 O ATOM 1510 CB LEU A 94 -11.891 6.746 -5.692 1.00 1.00 C ATOM 1511 CG LEU A 94 -10.982 6.980 -6.907 1.00 1.00 C ATOM 1512 CD1 LEU A 94 -11.687 6.529 -8.192 1.00 1.00 C ATOM 1513 CD2 LEU A 94 -10.647 8.471 -7.006 1.00 1.00 C ATOM 0 H LEU A 94 -13.836 4.816 -4.403 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.457 4.679 -6.147 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.885 7.147 -5.890 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -11.498 7.281 -4.827 1.00 1.00 H new ATOM 0 HG LEU A 94 -10.067 6.401 -6.785 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -11.032 6.700 -9.046 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -11.924 5.467 -8.124 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -12.607 7.098 -8.321 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.002 8.642 -7.867 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.567 9.044 -7.122 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -10.134 8.790 -6.099 1.00 1.00 H new ATOM 1525 N PRO A 95 -10.425 4.040 -3.915 1.00 1.00 N ATOM 1526 CA PRO A 95 -9.770 3.689 -2.620 1.00 1.00 C ATOM 1527 C PRO A 95 -8.800 4.782 -2.166 1.00 1.00 C ATOM 1528 O PRO A 95 -7.963 5.225 -2.927 1.00 1.00 O ATOM 1529 CB PRO A 95 -9.027 2.386 -2.926 1.00 1.00 C ATOM 1530 CG PRO A 95 -8.762 2.415 -4.397 1.00 1.00 C ATOM 1531 CD PRO A 95 -9.880 3.246 -5.033 1.00 1.00 C ATOM 0 HA PRO A 95 -10.488 3.585 -1.807 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -8.097 2.322 -2.361 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -9.627 1.518 -2.652 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -7.787 2.855 -4.605 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -8.750 1.405 -4.807 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -9.497 3.887 -5.827 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -10.644 2.610 -5.479 1.00 1.00 H new ATOM 1539 N ILE A 96 -8.913 5.239 -0.943 1.00 1.00 N ATOM 1540 CA ILE A 96 -7.999 6.322 -0.479 1.00 1.00 C ATOM 1541 C ILE A 96 -7.619 6.148 0.997 1.00 1.00 C ATOM 1542 O ILE A 96 -6.780 6.870 1.498 1.00 1.00 O ATOM 1543 CB ILE A 96 -8.698 7.674 -0.666 1.00 1.00 C ATOM 1544 CG1 ILE A 96 -9.948 7.746 0.227 1.00 1.00 C ATOM 1545 CG2 ILE A 96 -9.120 7.827 -2.130 1.00 1.00 C ATOM 1546 CD1 ILE A 96 -9.561 8.069 1.676 1.00 1.00 C ATOM 0 H ILE A 96 -9.591 4.912 -0.255 1.00 1.00 H new ATOM 0 HA ILE A 96 -7.084 6.275 -1.069 1.00 1.00 H new ATOM 0 HB ILE A 96 -8.010 8.473 -0.390 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -10.628 8.509 -0.152 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -10.482 6.796 0.191 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -9.617 8.787 -2.267 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -8.239 7.781 -2.769 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -9.805 7.022 -2.397 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -10.460 8.115 2.291 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -8.900 7.291 2.058 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -9.048 9.030 1.710 1.00 1.00 H new ATOM 1558 N HIS A 97 -8.217 5.223 1.716 1.00 1.00 N ATOM 1559 CA HIS A 97 -7.846 5.077 3.159 1.00 1.00 C ATOM 1560 C HIS A 97 -7.182 3.718 3.408 1.00 1.00 C ATOM 1561 O HIS A 97 -7.665 2.688 2.981 1.00 1.00 O ATOM 1562 CB HIS A 97 -9.109 5.204 4.021 1.00 1.00 C ATOM 1563 CG HIS A 97 -9.112 6.530 4.735 1.00 1.00 C ATOM 1564 ND1 HIS A 97 -8.008 6.995 5.436 1.00 1.00 N ATOM 1565 CD2 HIS A 97 -10.076 7.500 4.868 1.00 1.00 C ATOM 1566 CE1 HIS A 97 -8.331 8.195 5.953 1.00 1.00 C ATOM 1567 NE2 HIS A 97 -9.579 8.546 5.636 1.00 1.00 N ATOM 0 H HIS A 97 -8.929 4.578 1.374 1.00 1.00 H new ATOM 0 HA HIS A 97 -7.138 5.861 3.425 1.00 1.00 H new ATOM 0 HB2 HIS A 97 -9.997 5.116 3.395 1.00 1.00 H new ATOM 0 HB3 HIS A 97 -9.148 4.391 4.746 1.00 1.00 H new ATOM 0 HD2 HIS A 97 -11.067 7.456 4.441 1.00 1.00 H new ATOM 0 HE1 HIS A 97 -7.663 8.799 6.550 1.00 1.00 H new ATOM 0 HE2 HIS A 97 -10.066 9.402 5.902 1.00 1.00 H new ATOM 1576 N PHE A 98 -6.079 3.719 4.112 1.00 1.00 N ATOM 1577 CA PHE A 98 -5.368 2.442 4.419 1.00 1.00 C ATOM 1578 C PHE A 98 -5.658 2.051 5.867 1.00 1.00 C ATOM 1579 O PHE A 98 -5.059 2.564 6.791 1.00 1.00 O ATOM 1580 CB PHE A 98 -3.860 2.638 4.242 1.00 1.00 C ATOM 1581 CG PHE A 98 -3.155 1.314 4.425 1.00 1.00 C ATOM 1582 CD1 PHE A 98 -3.303 0.305 3.466 1.00 1.00 C ATOM 1583 CD2 PHE A 98 -2.353 1.096 5.552 1.00 1.00 C ATOM 1584 CE1 PHE A 98 -2.649 -0.922 3.633 1.00 1.00 C ATOM 1585 CE2 PHE A 98 -1.700 -0.132 5.720 1.00 1.00 C ATOM 1586 CZ PHE A 98 -1.848 -1.140 4.759 1.00 1.00 C ATOM 0 H PHE A 98 -5.637 4.557 4.490 1.00 1.00 H new ATOM 0 HA PHE A 98 -5.712 1.659 3.744 1.00 1.00 H new ATOM 0 HB2 PHE A 98 -3.649 3.041 3.251 1.00 1.00 H new ATOM 0 HB3 PHE A 98 -3.489 3.363 4.967 1.00 1.00 H new ATOM 0 HD1 PHE A 98 -3.922 0.473 2.597 1.00 1.00 H new ATOM 0 HD2 PHE A 98 -2.238 1.874 6.292 1.00 1.00 H new ATOM 0 HE1 PHE A 98 -2.763 -1.700 2.893 1.00 1.00 H new ATOM 0 HE2 PHE A 98 -1.083 -0.301 6.590 1.00 1.00 H new ATOM 0 HZ PHE A 98 -1.343 -2.086 4.887 1.00 1.00 H new ATOM 1596 N ALA A 99 -6.575 1.149 6.074 1.00 1.00 N ATOM 1597 CA ALA A 99 -6.907 0.732 7.462 1.00 1.00 C ATOM 1598 C ALA A 99 -5.648 0.196 8.150 1.00 1.00 C ATOM 1599 O ALA A 99 -5.028 0.872 8.947 1.00 1.00 O ATOM 1600 CB ALA A 99 -7.970 -0.366 7.412 1.00 1.00 C ATOM 0 H ALA A 99 -7.109 0.683 5.341 1.00 1.00 H new ATOM 0 HA ALA A 99 -7.287 1.586 8.023 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -8.219 -0.678 8.426 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -8.864 0.016 6.920 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.585 -1.220 6.854 1.00 1.00 H new ATOM 1606 N GLY A 100 -5.265 -1.014 7.847 1.00 1.00 N ATOM 1607 CA GLY A 100 -4.048 -1.592 8.483 1.00 1.00 C ATOM 1608 C GLY A 100 -3.660 -2.886 7.766 1.00 1.00 C ATOM 1609 O GLY A 100 -4.124 -3.167 6.678 1.00 1.00 O ATOM 0 H GLY A 100 -5.742 -1.627 7.186 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -3.226 -0.877 8.435 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -4.236 -1.791 9.538 1.00 1.00 H new ATOM 1613 N VAL A 101 -2.811 -3.677 8.364 1.00 1.00 N ATOM 1614 CA VAL A 101 -2.393 -4.953 7.716 1.00 1.00 C ATOM 1615 C VAL A 101 -3.391 -6.057 8.069 1.00 1.00 C ATOM 1616 O VAL A 101 -3.889 -6.127 9.175 1.00 1.00 O ATOM 1617 CB VAL A 101 -1.001 -5.344 8.216 1.00 1.00 C ATOM 1618 CG1 VAL A 101 -0.478 -6.525 7.399 1.00 1.00 C ATOM 1619 CG2 VAL A 101 -0.052 -4.154 8.056 1.00 1.00 C ATOM 0 H VAL A 101 -2.388 -3.494 9.274 1.00 1.00 H new ATOM 0 HA VAL A 101 -2.368 -4.821 6.634 1.00 1.00 H new ATOM 0 HB VAL A 101 -1.058 -5.627 9.267 1.00 1.00 H new ATOM 0 HG11 VAL A 101 0.514 -6.803 7.755 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -1.155 -7.372 7.510 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -0.420 -6.243 6.348 1.00 1.00 H new ATOM 0 HG21 VAL A 101 0.941 -4.430 8.412 1.00 1.00 H new ATOM 0 HG22 VAL A 101 0.004 -3.872 7.004 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -0.424 -3.311 8.638 1.00 1.00 H new ATOM 1629 N GLY A 102 -3.684 -6.923 7.137 1.00 1.00 N ATOM 1630 CA GLY A 102 -4.649 -8.025 7.417 1.00 1.00 C ATOM 1631 C GLY A 102 -6.080 -7.493 7.318 1.00 1.00 C ATOM 1632 O GLY A 102 -6.347 -6.530 6.628 1.00 1.00 O ATOM 0 H GLY A 102 -3.297 -6.915 6.193 1.00 1.00 H new ATOM 0 HA2 GLY A 102 -4.503 -8.839 6.707 1.00 1.00 H new ATOM 0 HA3 GLY A 102 -4.471 -8.434 8.411 1.00 1.00 H new ATOM 1636 N SER A 103 -7.004 -8.116 7.999 1.00 1.00 N ATOM 1637 CA SER A 103 -8.421 -7.651 7.942 1.00 1.00 C ATOM 1638 C SER A 103 -8.722 -6.754 9.146 1.00 1.00 C ATOM 1639 O SER A 103 -8.174 -6.929 10.215 1.00 1.00 O ATOM 1640 CB SER A 103 -9.353 -8.863 7.964 1.00 1.00 C ATOM 1641 OG SER A 103 -8.818 -9.884 7.133 1.00 1.00 O ATOM 0 H SER A 103 -6.839 -8.928 8.593 1.00 1.00 H new ATOM 0 HA SER A 103 -8.578 -7.084 7.024 1.00 1.00 H new ATOM 0 HB2 SER A 103 -9.466 -9.231 8.984 1.00 1.00 H new ATOM 0 HB3 SER A 103 -10.346 -8.579 7.616 1.00 1.00 H new ATOM 0 HG SER A 103 -9.413 -10.663 7.147 1.00 1.00 H new ATOM 1647 N CYS A 104 -9.595 -5.797 8.977 1.00 1.00 N ATOM 1648 CA CYS A 104 -9.940 -4.887 10.107 1.00 1.00 C ATOM 1649 C CYS A 104 -11.400 -4.438 9.964 1.00 1.00 C ATOM 1650 O CYS A 104 -11.907 -4.310 8.868 1.00 1.00 O ATOM 1651 CB CYS A 104 -9.020 -3.664 10.073 1.00 1.00 C ATOM 1652 SG CYS A 104 -7.365 -4.172 9.550 1.00 1.00 S ATOM 0 H CYS A 104 -10.085 -5.606 8.103 1.00 1.00 H new ATOM 0 HA CYS A 104 -9.810 -5.410 11.055 1.00 1.00 H new ATOM 0 HB2 CYS A 104 -9.417 -2.916 9.387 1.00 1.00 H new ATOM 0 HB3 CYS A 104 -8.976 -3.201 11.059 1.00 1.00 H new ATOM 1657 N PRO A 105 -12.074 -4.199 11.062 1.00 1.00 N ATOM 1658 CA PRO A 105 -13.500 -3.755 11.048 1.00 1.00 C ATOM 1659 C PRO A 105 -13.652 -2.322 10.523 1.00 1.00 C ATOM 1660 O PRO A 105 -14.666 -2.043 9.907 1.00 1.00 O ATOM 1661 CB PRO A 105 -13.927 -3.841 12.517 1.00 1.00 C ATOM 1662 CG PRO A 105 -12.660 -3.710 13.299 1.00 1.00 C ATOM 1663 CD PRO A 105 -11.557 -4.324 12.436 1.00 1.00 C ATOM 1664 OXT PRO A 105 -12.750 -1.533 10.748 1.00 1.00 O ATOM 0 HA PRO A 105 -14.110 -4.369 10.386 1.00 1.00 H new ATOM 0 HB2 PRO A 105 -14.630 -3.048 12.770 1.00 1.00 H new ATOM 0 HB3 PRO A 105 -14.425 -4.788 12.728 1.00 1.00 H new ATOM 0 HG2 PRO A 105 -12.445 -2.664 13.518 1.00 1.00 H new ATOM 0 HG3 PRO A 105 -12.738 -4.227 14.255 1.00 1.00 H new ATOM 0 HD2 PRO A 105 -10.612 -3.794 12.558 1.00 1.00 H new ATOM 0 HD3 PRO A 105 -11.375 -5.365 12.701 1.00 1.00 H new TER 1672 PRO A 105