USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot 15:sc= -0.032 USER MOD Set 1.2: A 51 MET CE :methyl 159:sc= -2.22 (180deg=-2.57) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -125:sc= 0.957 (180deg=-0.197) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0721 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 6 SER OG : rot 160:sc= 0 USER MOD Single : A 7 THR OG1 : rot 90:sc= 0.682 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.379) USER MOD Single : A 12 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.4!) USER MOD Single : A 15 TYR OH : rot -54:sc= 0.741 USER MOD Single : A 18 SER OG : rot 82:sc= 0.641 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0852 X(o=-0.085,f=-0.21) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -163:sc=-0.00334 (180deg=-0.0754) USER MOD Single : A 35 ASN : amide:sc= 0.266 K(o=0.27,f=-0.33) USER MOD Single : A 38 ASN : amide:sc= 0.718 K(o=0.72,f=-4.7!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 170:sc= 0.343 USER MOD Single : A 47 SER OG : rot -42:sc= 0.0773 USER MOD Single : A 49 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.9!) USER MOD Single : A 52 LYS NZ :NH3+ -151:sc= 0.923 (180deg=0.414) USER MOD Single : A 53 THR OG1 : rot 20:sc= 0.743 USER MOD Single : A 55 SER OG : rot 76:sc= 0.623 USER MOD Single : A 56 THR OG1 : rot 32:sc= 0.471 USER MOD Single : A 59 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.024) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 88:sc= 0.454 USER MOD Single : A 69 THR OG1 : rot 59:sc= 0.789 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.14) USER MOD Single : A 79 MET CE :methyl 157:sc= 0 (180deg=-0.114) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.847 -15.203 -3.849 1.00 5.86 N ATOM 2 CA MET A 1 -0.310 -15.972 -4.984 1.00 5.59 C ATOM 3 C MET A 1 -1.304 -16.000 -6.140 1.00 4.56 C ATOM 4 O MET A 1 -1.023 -15.413 -7.182 1.00 5.71 O ATOM 5 CB MET A 1 0.265 -17.339 -4.564 1.00 5.86 C ATOM 6 CG MET A 1 -0.744 -18.440 -4.198 1.00 5.68 C ATOM 7 SD MET A 1 -1.364 -19.436 -5.585 1.00 6.60 S ATOM 8 CE MET A 1 -0.022 -20.640 -5.772 1.00 7.81 C ATOM 0 H1 MET A 1 -0.175 -14.453 -3.589 1.00 5.86 H new ATOM 0 H2 MET A 1 -1.756 -14.775 -4.118 1.00 5.86 H new ATOM 0 H3 MET A 1 -0.990 -15.837 -3.037 1.00 5.86 H new ATOM 0 HA MET A 1 0.565 -15.451 -5.372 1.00 5.59 H new ATOM 0 HB2 MET A 1 0.888 -17.708 -5.378 1.00 5.86 H new ATOM 0 HB3 MET A 1 0.920 -17.182 -3.707 1.00 5.86 H new ATOM 0 HG2 MET A 1 -0.277 -19.109 -3.475 1.00 5.68 H new ATOM 0 HG3 MET A 1 -1.595 -17.976 -3.700 1.00 5.68 H new ATOM 0 HE1 MET A 1 -0.257 -21.323 -6.588 1.00 7.81 H new ATOM 0 HE2 MET A 1 0.908 -20.117 -5.994 1.00 7.81 H new ATOM 0 HE3 MET A 1 0.091 -21.205 -4.847 1.00 7.81 H new ATOM 20 N SER A 2 -2.471 -16.635 -5.974 1.00 2.97 N ATOM 21 CA SER A 2 -3.474 -16.653 -7.028 1.00 2.75 C ATOM 22 C SER A 2 -4.108 -15.273 -7.131 1.00 2.47 C ATOM 23 O SER A 2 -3.866 -14.407 -6.292 1.00 2.30 O ATOM 24 CB SER A 2 -4.531 -17.728 -6.749 1.00 2.86 C ATOM 25 OG SER A 2 -5.383 -17.862 -7.869 1.00 4.23 O ATOM 0 H SER A 2 -2.736 -17.136 -5.126 1.00 2.97 H new ATOM 0 HA SER A 2 -3.002 -16.900 -7.979 1.00 2.75 H new ATOM 0 HB2 SER A 2 -4.047 -18.680 -6.533 1.00 2.86 H new ATOM 0 HB3 SER A 2 -5.113 -17.459 -5.868 1.00 2.86 H new ATOM 0 HG SER A 2 -6.056 -18.551 -7.688 1.00 4.23 H new ATOM 31 N GLU A 3 -4.931 -15.067 -8.154 1.00 2.47 N ATOM 32 CA GLU A 3 -5.549 -13.782 -8.421 1.00 2.33 C ATOM 33 C GLU A 3 -6.537 -13.426 -7.325 1.00 2.03 C ATOM 34 O GLU A 3 -6.573 -12.276 -6.915 1.00 1.74 O ATOM 35 CB GLU A 3 -6.194 -13.795 -9.813 1.00 2.52 C ATOM 36 CG GLU A 3 -5.922 -12.476 -10.538 1.00 3.55 C ATOM 37 CD GLU A 3 -6.399 -12.561 -11.986 1.00 4.03 C ATOM 38 OE1 GLU A 3 -7.629 -12.463 -12.190 1.00 4.73 O ATOM 39 OE2 GLU A 3 -5.525 -12.756 -12.860 1.00 4.32 O ATOM 0 H GLU A 3 -5.187 -15.794 -8.822 1.00 2.47 H new ATOM 0 HA GLU A 3 -4.787 -13.003 -8.420 1.00 2.33 H new ATOM 0 HB2 GLU A 3 -5.799 -14.626 -10.396 1.00 2.52 H new ATOM 0 HB3 GLU A 3 -7.269 -13.952 -9.722 1.00 2.52 H new ATOM 0 HG2 GLU A 3 -6.433 -11.660 -10.027 1.00 3.55 H new ATOM 0 HG3 GLU A 3 -4.856 -12.251 -10.511 1.00 3.55 H new ATOM 46 N GLU A 4 -7.307 -14.380 -6.802 1.00 2.12 N ATOM 47 CA GLU A 4 -8.210 -14.098 -5.690 1.00 1.87 C ATOM 48 C GLU A 4 -7.426 -13.611 -4.479 1.00 1.57 C ATOM 49 O GLU A 4 -7.768 -12.586 -3.895 1.00 1.25 O ATOM 50 CB GLU A 4 -9.013 -15.350 -5.332 1.00 2.11 C ATOM 51 CG GLU A 4 -10.012 -15.706 -6.434 1.00 2.45 C ATOM 52 CD GLU A 4 -10.640 -17.068 -6.151 1.00 2.76 C ATOM 53 OE1 GLU A 4 -9.964 -18.073 -6.463 1.00 3.37 O ATOM 54 OE2 GLU A 4 -11.765 -17.081 -5.604 1.00 3.40 O ATOM 0 H GLU A 4 -7.323 -15.346 -7.128 1.00 2.12 H new ATOM 0 HA GLU A 4 -8.901 -13.312 -5.994 1.00 1.87 H new ATOM 0 HB2 GLU A 4 -8.333 -16.187 -5.171 1.00 2.11 H new ATOM 0 HB3 GLU A 4 -9.545 -15.187 -4.395 1.00 2.11 H new ATOM 0 HG2 GLU A 4 -10.789 -14.943 -6.492 1.00 2.45 H new ATOM 0 HG3 GLU A 4 -9.509 -15.722 -7.401 1.00 2.45 H new ATOM 61 N THR A 5 -6.375 -14.334 -4.089 1.00 1.73 N ATOM 62 CA THR A 5 -5.595 -13.976 -2.918 1.00 1.59 C ATOM 63 C THR A 5 -4.984 -12.599 -3.109 1.00 1.29 C ATOM 64 O THR A 5 -5.216 -11.697 -2.313 1.00 1.10 O ATOM 65 CB THR A 5 -4.497 -15.016 -2.675 1.00 2.03 C ATOM 66 OG1 THR A 5 -4.964 -16.313 -2.979 1.00 2.48 O ATOM 67 CG2 THR A 5 -3.988 -14.959 -1.233 1.00 2.08 C ATOM 0 H THR A 5 -6.049 -15.171 -4.572 1.00 1.73 H new ATOM 0 HA THR A 5 -6.250 -13.955 -2.047 1.00 1.59 H new ATOM 0 HB THR A 5 -3.664 -14.780 -3.337 1.00 2.03 H new ATOM 0 HG1 THR A 5 -4.249 -16.964 -2.820 1.00 2.48 H new ATOM 0 HG21 THR A 5 -3.210 -15.709 -1.092 1.00 2.08 H new ATOM 0 HG22 THR A 5 -3.579 -13.969 -1.030 1.00 2.08 H new ATOM 0 HG23 THR A 5 -4.812 -15.158 -0.548 1.00 2.08 H new ATOM 75 N SER A 6 -4.214 -12.436 -4.182 1.00 1.32 N ATOM 76 CA SER A 6 -3.496 -11.216 -4.482 1.00 1.13 C ATOM 77 C SER A 6 -4.496 -10.066 -4.475 1.00 0.90 C ATOM 78 O SER A 6 -4.266 -9.072 -3.802 1.00 0.67 O ATOM 79 CB SER A 6 -2.770 -11.384 -5.824 1.00 1.41 C ATOM 80 OG SER A 6 -1.776 -10.399 -6.008 1.00 1.49 O ATOM 0 H SER A 6 -4.074 -13.169 -4.878 1.00 1.32 H new ATOM 0 HA SER A 6 -2.732 -10.993 -3.737 1.00 1.13 H new ATOM 0 HB2 SER A 6 -2.315 -12.373 -5.870 1.00 1.41 H new ATOM 0 HB3 SER A 6 -3.493 -11.328 -6.638 1.00 1.41 H new ATOM 0 HG SER A 6 -1.134 -10.704 -6.683 1.00 1.49 H new ATOM 86 N THR A 7 -5.636 -10.236 -5.143 1.00 1.03 N ATOM 87 CA THR A 7 -6.694 -9.238 -5.249 1.00 0.95 C ATOM 88 C THR A 7 -7.400 -8.948 -3.933 1.00 0.71 C ATOM 89 O THR A 7 -7.861 -7.827 -3.754 1.00 0.70 O ATOM 90 CB THR A 7 -7.686 -9.603 -6.363 1.00 1.23 C ATOM 91 OG1 THR A 7 -6.991 -9.623 -7.586 1.00 1.55 O ATOM 92 CG2 THR A 7 -8.814 -8.583 -6.527 1.00 1.27 C ATOM 0 H THR A 7 -5.853 -11.100 -5.640 1.00 1.03 H new ATOM 0 HA THR A 7 -6.203 -8.304 -5.520 1.00 0.95 H new ATOM 0 HB THR A 7 -8.121 -10.565 -6.092 1.00 1.23 H new ATOM 0 HG1 THR A 7 -6.631 -10.521 -7.743 1.00 1.55 H new ATOM 0 HG21 THR A 7 -9.479 -8.901 -7.330 1.00 1.27 H new ATOM 0 HG22 THR A 7 -9.378 -8.511 -5.597 1.00 1.27 H new ATOM 0 HG23 THR A 7 -8.391 -7.609 -6.771 1.00 1.27 H new ATOM 100 N GLN A 8 -7.478 -9.877 -2.983 1.00 0.65 N ATOM 101 CA GLN A 8 -7.917 -9.509 -1.645 1.00 0.57 C ATOM 102 C GLN A 8 -6.984 -8.450 -1.084 1.00 0.54 C ATOM 103 O GLN A 8 -7.429 -7.440 -0.546 1.00 0.61 O ATOM 104 CB GLN A 8 -7.936 -10.722 -0.714 1.00 0.69 C ATOM 105 CG GLN A 8 -9.093 -11.683 -1.013 1.00 0.81 C ATOM 106 CD GLN A 8 -9.982 -11.867 0.213 1.00 1.30 C ATOM 107 OE1 GLN A 8 -9.871 -12.849 0.935 1.00 2.75 O ATOM 108 NE2 GLN A 8 -10.865 -10.915 0.489 1.00 1.90 N ATOM 0 H GLN A 8 -7.249 -10.863 -3.111 1.00 0.65 H new ATOM 0 HA GLN A 8 -8.932 -9.117 -1.711 1.00 0.57 H new ATOM 0 HB2 GLN A 8 -6.992 -11.259 -0.805 1.00 0.69 H new ATOM 0 HB3 GLN A 8 -8.011 -10.381 0.318 1.00 0.69 H new ATOM 0 HG2 GLN A 8 -9.686 -11.297 -1.842 1.00 0.81 H new ATOM 0 HG3 GLN A 8 -8.697 -12.648 -1.327 1.00 0.81 H new ATOM 0 HE21 GLN A 8 -10.946 -10.102 -0.122 1.00 1.90 H new ATOM 0 HE22 GLN A 8 -11.462 -10.996 1.312 1.00 1.90 H new ATOM 117 N ILE A 9 -5.680 -8.681 -1.212 1.00 0.54 N ATOM 118 CA ILE A 9 -4.704 -7.787 -0.618 1.00 0.58 C ATOM 119 C ILE A 9 -4.733 -6.479 -1.391 1.00 0.45 C ATOM 120 O ILE A 9 -4.605 -5.403 -0.818 1.00 0.44 O ATOM 121 CB ILE A 9 -3.294 -8.409 -0.613 1.00 0.89 C ATOM 122 CG1 ILE A 9 -3.364 -9.888 -0.205 1.00 2.08 C ATOM 123 CG2 ILE A 9 -2.392 -7.610 0.334 1.00 1.13 C ATOM 124 CD1 ILE A 9 -2.035 -10.491 0.230 1.00 2.04 C ATOM 0 H ILE A 9 -5.283 -9.473 -1.717 1.00 0.54 H new ATOM 0 HA ILE A 9 -4.959 -7.605 0.426 1.00 0.58 H new ATOM 0 HB ILE A 9 -2.870 -8.366 -1.616 1.00 0.89 H new ATOM 0 HG12 ILE A 9 -4.079 -9.992 0.611 1.00 2.08 H new ATOM 0 HG13 ILE A 9 -3.752 -10.465 -1.045 1.00 2.08 H new ATOM 0 HG21 ILE A 9 -1.393 -8.047 0.340 1.00 1.13 H new ATOM 0 HG22 ILE A 9 -2.333 -6.576 -0.005 1.00 1.13 H new ATOM 0 HG23 ILE A 9 -2.807 -7.638 1.342 1.00 1.13 H new ATOM 0 HD11 ILE A 9 -2.181 -11.537 0.500 1.00 2.04 H new ATOM 0 HD12 ILE A 9 -1.319 -10.424 -0.589 1.00 2.04 H new ATOM 0 HD13 ILE A 9 -1.652 -9.944 1.092 1.00 2.04 H new ATOM 136 N LEU A 10 -4.913 -6.571 -2.706 1.00 0.53 N ATOM 137 CA LEU A 10 -4.787 -5.448 -3.602 1.00 0.60 C ATOM 138 C LEU A 10 -5.958 -4.497 -3.402 1.00 0.54 C ATOM 139 O LEU A 10 -5.767 -3.294 -3.257 1.00 0.58 O ATOM 140 CB LEU A 10 -4.712 -5.946 -5.049 1.00 0.77 C ATOM 141 CG LEU A 10 -3.585 -5.301 -5.860 1.00 0.83 C ATOM 142 CD1 LEU A 10 -3.966 -5.484 -7.330 1.00 1.89 C ATOM 143 CD2 LEU A 10 -3.343 -3.835 -5.477 1.00 2.17 C ATOM 0 H LEU A 10 -5.153 -7.444 -3.176 1.00 0.53 H new ATOM 0 HA LEU A 10 -3.868 -4.904 -3.384 1.00 0.60 H new ATOM 0 HB2 LEU A 10 -4.574 -7.027 -5.046 1.00 0.77 H new ATOM 0 HB3 LEU A 10 -5.663 -5.748 -5.543 1.00 0.77 H new ATOM 0 HG LEU A 10 -2.629 -5.780 -5.650 1.00 0.83 H new ATOM 0 HD11 LEU A 10 -3.197 -5.042 -7.963 1.00 1.89 H new ATOM 0 HD12 LEU A 10 -4.053 -6.547 -7.554 1.00 1.89 H new ATOM 0 HD13 LEU A 10 -4.920 -4.993 -7.522 1.00 1.89 H new ATOM 0 HD21 LEU A 10 -2.533 -3.429 -6.084 1.00 2.17 H new ATOM 0 HD22 LEU A 10 -4.251 -3.259 -5.652 1.00 2.17 H new ATOM 0 HD23 LEU A 10 -3.072 -3.774 -4.423 1.00 2.17 H new ATOM 155 N LYS A 11 -7.180 -5.028 -3.347 1.00 0.50 N ATOM 156 CA LYS A 11 -8.338 -4.190 -3.057 1.00 0.51 C ATOM 157 C LYS A 11 -8.240 -3.634 -1.643 1.00 0.47 C ATOM 158 O LYS A 11 -8.851 -2.618 -1.346 1.00 0.71 O ATOM 159 CB LYS A 11 -9.677 -4.927 -3.255 1.00 0.61 C ATOM 160 CG LYS A 11 -10.491 -4.355 -4.431 1.00 1.91 C ATOM 161 CD LYS A 11 -10.720 -5.394 -5.529 1.00 2.26 C ATOM 162 CE LYS A 11 -11.740 -6.441 -5.073 1.00 2.21 C ATOM 163 NZ LYS A 11 -12.074 -7.384 -6.163 1.00 2.78 N ATOM 0 H LYS A 11 -7.389 -6.015 -3.497 1.00 0.50 H new ATOM 0 HA LYS A 11 -8.325 -3.370 -3.775 1.00 0.51 H new ATOM 0 HB2 LYS A 11 -9.484 -5.985 -3.430 1.00 0.61 H new ATOM 0 HB3 LYS A 11 -10.266 -4.858 -2.341 1.00 0.61 H new ATOM 0 HG2 LYS A 11 -11.453 -3.996 -4.065 1.00 1.91 H new ATOM 0 HG3 LYS A 11 -9.968 -3.495 -4.849 1.00 1.91 H new ATOM 0 HD2 LYS A 11 -11.075 -4.902 -6.435 1.00 2.26 H new ATOM 0 HD3 LYS A 11 -9.777 -5.881 -5.779 1.00 2.26 H new ATOM 0 HE2 LYS A 11 -11.340 -6.993 -4.222 1.00 2.21 H new ATOM 0 HE3 LYS A 11 -12.647 -5.942 -4.731 1.00 2.21 H new ATOM 0 HZ1 LYS A 11 -12.319 -8.310 -5.758 1.00 2.78 H new ATOM 0 HZ2 LYS A 11 -12.883 -7.017 -6.704 1.00 2.78 H new ATOM 0 HZ3 LYS A 11 -11.255 -7.489 -6.795 1.00 2.78 H new ATOM 177 N GLN A 12 -7.474 -4.265 -0.756 1.00 0.40 N ATOM 178 CA GLN A 12 -7.262 -3.703 0.568 1.00 0.41 C ATOM 179 C GLN A 12 -6.276 -2.528 0.470 1.00 0.43 C ATOM 180 O GLN A 12 -6.457 -1.505 1.125 1.00 0.55 O ATOM 181 CB GLN A 12 -6.791 -4.797 1.535 1.00 0.56 C ATOM 182 CG GLN A 12 -7.206 -4.505 2.982 1.00 1.42 C ATOM 183 CD GLN A 12 -8.606 -5.030 3.292 1.00 1.19 C ATOM 184 OE1 GLN A 12 -8.762 -6.137 3.790 1.00 1.93 O ATOM 185 NE2 GLN A 12 -9.655 -4.259 3.033 1.00 2.03 N ATOM 0 H GLN A 12 -6.999 -5.151 -0.929 1.00 0.40 H new ATOM 0 HA GLN A 12 -8.197 -3.312 0.969 1.00 0.41 H new ATOM 0 HB2 GLN A 12 -7.206 -5.757 1.226 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -5.706 -4.886 1.480 1.00 0.56 H new ATOM 0 HG2 GLN A 12 -6.488 -4.961 3.664 1.00 1.42 H new ATOM 0 HG3 GLN A 12 -7.175 -3.430 3.158 1.00 1.42 H new ATOM 0 HE21 GLN A 12 -9.520 -3.337 2.618 1.00 2.03 H new ATOM 0 HE22 GLN A 12 -10.596 -4.588 3.249 1.00 2.03 H new ATOM 194 N VAL A 13 -5.239 -2.670 -0.362 1.00 0.39 N ATOM 195 CA VAL A 13 -4.188 -1.687 -0.580 1.00 0.45 C ATOM 196 C VAL A 13 -4.778 -0.413 -1.170 1.00 0.46 C ATOM 197 O VAL A 13 -4.445 0.684 -0.722 1.00 0.59 O ATOM 198 CB VAL A 13 -3.095 -2.316 -1.478 1.00 0.52 C ATOM 199 CG1 VAL A 13 -2.353 -1.319 -2.362 1.00 0.92 C ATOM 200 CG2 VAL A 13 -2.064 -3.061 -0.635 1.00 0.74 C ATOM 0 H VAL A 13 -5.109 -3.512 -0.923 1.00 0.39 H new ATOM 0 HA VAL A 13 -3.722 -1.404 0.364 1.00 0.45 H new ATOM 0 HB VAL A 13 -3.637 -2.996 -2.135 1.00 0.52 H new ATOM 0 HG11 VAL A 13 -1.606 -1.845 -2.957 1.00 0.92 H new ATOM 0 HG12 VAL A 13 -3.062 -0.823 -3.025 1.00 0.92 H new ATOM 0 HG13 VAL A 13 -1.860 -0.575 -1.737 1.00 0.92 H new ATOM 0 HG21 VAL A 13 -1.306 -3.495 -1.287 1.00 0.74 H new ATOM 0 HG22 VAL A 13 -1.591 -2.366 0.059 1.00 0.74 H new ATOM 0 HG23 VAL A 13 -2.558 -3.855 -0.074 1.00 0.74 H new ATOM 210 N GLU A 14 -5.618 -0.538 -2.198 1.00 0.45 N ATOM 211 CA GLU A 14 -6.280 0.610 -2.793 1.00 0.49 C ATOM 212 C GLU A 14 -7.241 1.227 -1.791 1.00 0.44 C ATOM 213 O GLU A 14 -7.260 2.449 -1.655 1.00 0.49 O ATOM 214 CB GLU A 14 -6.952 0.237 -4.125 1.00 0.62 C ATOM 215 CG GLU A 14 -8.121 -0.738 -3.977 1.00 1.70 C ATOM 216 CD GLU A 14 -9.511 -0.115 -3.802 1.00 2.69 C ATOM 217 OE1 GLU A 14 -9.586 1.085 -3.463 1.00 3.50 O ATOM 218 OE2 GLU A 14 -10.492 -0.864 -4.013 1.00 3.81 O ATOM 0 H GLU A 14 -5.853 -1.430 -2.634 1.00 0.45 H new ATOM 0 HA GLU A 14 -5.537 1.369 -3.039 1.00 0.49 H new ATOM 0 HB2 GLU A 14 -7.309 1.147 -4.608 1.00 0.62 H new ATOM 0 HB3 GLU A 14 -6.206 -0.203 -4.787 1.00 0.62 H new ATOM 0 HG2 GLU A 14 -8.143 -1.381 -4.857 1.00 1.70 H new ATOM 0 HG3 GLU A 14 -7.924 -1.380 -3.118 1.00 1.70 H new ATOM 225 N TYR A 15 -7.973 0.384 -1.058 1.00 0.40 N ATOM 226 CA TYR A 15 -9.060 0.774 -0.194 1.00 0.38 C ATOM 227 C TYR A 15 -8.562 1.778 0.835 1.00 0.37 C ATOM 228 O TYR A 15 -9.222 2.788 1.039 1.00 0.40 O ATOM 229 CB TYR A 15 -9.659 -0.489 0.434 1.00 0.40 C ATOM 230 CG TYR A 15 -10.227 -0.278 1.802 1.00 0.49 C ATOM 231 CD1 TYR A 15 -11.421 0.440 1.960 1.00 0.84 C ATOM 232 CD2 TYR A 15 -9.465 -0.669 2.914 1.00 0.63 C ATOM 233 CE1 TYR A 15 -11.825 0.826 3.244 1.00 0.95 C ATOM 234 CE2 TYR A 15 -9.873 -0.294 4.198 1.00 0.72 C ATOM 235 CZ TYR A 15 -11.035 0.490 4.367 1.00 0.73 C ATOM 236 OH TYR A 15 -11.343 0.993 5.591 1.00 0.86 O ATOM 0 H TYR A 15 -7.809 -0.623 -1.059 1.00 0.40 H new ATOM 0 HA TYR A 15 -9.852 1.273 -0.753 1.00 0.38 H new ATOM 0 HB2 TYR A 15 -10.444 -0.870 -0.219 1.00 0.40 H new ATOM 0 HB3 TYR A 15 -8.887 -1.257 0.487 1.00 0.40 H new ATOM 0 HD1 TYR A 15 -12.023 0.693 1.100 1.00 0.84 H new ATOM 0 HD2 TYR A 15 -8.569 -1.256 2.779 1.00 0.63 H new ATOM 0 HE1 TYR A 15 -12.742 1.381 3.377 1.00 0.95 H new ATOM 0 HE2 TYR A 15 -9.300 -0.604 5.059 1.00 0.72 H new ATOM 0 HH TYR A 15 -11.397 1.970 5.539 1.00 0.86 H new ATOM 246 N TYR A 16 -7.381 1.549 1.425 1.00 0.37 N ATOM 247 CA TYR A 16 -6.801 2.439 2.436 1.00 0.41 C ATOM 248 C TYR A 16 -6.681 3.894 1.990 1.00 0.58 C ATOM 249 O TYR A 16 -6.470 4.792 2.803 1.00 0.74 O ATOM 250 CB TYR A 16 -5.398 1.944 2.792 1.00 0.38 C ATOM 251 CG TYR A 16 -5.295 0.543 3.342 1.00 1.01 C ATOM 252 CD1 TYR A 16 -6.324 0.015 4.138 1.00 1.52 C ATOM 253 CD2 TYR A 16 -4.131 -0.209 3.104 1.00 2.52 C ATOM 254 CE1 TYR A 16 -6.200 -1.271 4.678 1.00 2.00 C ATOM 255 CE2 TYR A 16 -3.993 -1.492 3.656 1.00 3.22 C ATOM 256 CZ TYR A 16 -5.037 -2.032 4.442 1.00 2.59 C ATOM 257 OH TYR A 16 -4.938 -3.275 4.987 1.00 3.36 O ATOM 0 H TYR A 16 -6.800 0.738 1.213 1.00 0.37 H new ATOM 0 HA TYR A 16 -7.483 2.413 3.286 1.00 0.41 H new ATOM 0 HB2 TYR A 16 -4.778 2.005 1.898 1.00 0.38 H new ATOM 0 HB3 TYR A 16 -4.970 2.629 3.524 1.00 0.38 H new ATOM 0 HD1 TYR A 16 -7.210 0.600 4.334 1.00 1.52 H new ATOM 0 HD2 TYR A 16 -3.340 0.202 2.494 1.00 2.52 H new ATOM 0 HE1 TYR A 16 -6.999 -1.682 5.278 1.00 2.00 H new ATOM 0 HE2 TYR A 16 -3.094 -2.064 3.481 1.00 3.22 H new ATOM 0 HH TYR A 16 -5.821 -3.569 5.293 1.00 3.36 H new ATOM 267 N PHE A 17 -6.715 4.115 0.683 1.00 0.75 N ATOM 268 CA PHE A 17 -6.587 5.406 0.069 1.00 0.87 C ATOM 269 C PHE A 17 -7.935 5.877 -0.449 1.00 0.99 C ATOM 270 O PHE A 17 -8.306 7.037 -0.284 1.00 1.56 O ATOM 271 CB PHE A 17 -5.569 5.255 -1.058 1.00 0.90 C ATOM 272 CG PHE A 17 -4.717 6.476 -1.192 1.00 2.09 C ATOM 273 CD1 PHE A 17 -3.527 6.560 -0.448 1.00 3.01 C ATOM 274 CD2 PHE A 17 -5.139 7.540 -2.003 1.00 3.34 C ATOM 275 CE1 PHE A 17 -2.752 7.722 -0.528 1.00 4.46 C ATOM 276 CE2 PHE A 17 -4.361 8.703 -2.075 1.00 4.80 C ATOM 277 CZ PHE A 17 -3.172 8.793 -1.334 1.00 5.21 C ATOM 0 H PHE A 17 -6.838 3.363 0.005 1.00 0.75 H new ATOM 0 HA PHE A 17 -6.249 6.158 0.781 1.00 0.87 H new ATOM 0 HB2 PHE A 17 -4.937 4.388 -0.865 1.00 0.90 H new ATOM 0 HB3 PHE A 17 -6.089 5.068 -1.997 1.00 0.90 H new ATOM 0 HD1 PHE A 17 -3.215 5.737 0.178 1.00 3.01 H new ATOM 0 HD2 PHE A 17 -6.057 7.463 -2.568 1.00 3.34 H new ATOM 0 HE1 PHE A 17 -1.830 7.796 0.030 1.00 4.46 H new ATOM 0 HE2 PHE A 17 -4.675 9.527 -2.698 1.00 4.80 H new ATOM 0 HZ PHE A 17 -2.576 9.692 -1.384 1.00 5.21 H new ATOM 287 N SER A 18 -8.653 4.971 -1.106 1.00 0.57 N ATOM 288 CA SER A 18 -9.872 5.253 -1.828 1.00 0.65 C ATOM 289 C SER A 18 -11.022 5.560 -0.869 1.00 0.60 C ATOM 290 O SER A 18 -11.918 6.329 -1.208 1.00 0.79 O ATOM 291 CB SER A 18 -10.158 4.052 -2.730 1.00 0.77 C ATOM 292 OG SER A 18 -11.010 4.444 -3.780 1.00 1.07 O ATOM 0 H SER A 18 -8.385 3.988 -1.147 1.00 0.57 H new ATOM 0 HA SER A 18 -9.763 6.146 -2.443 1.00 0.65 H new ATOM 0 HB2 SER A 18 -9.226 3.656 -3.133 1.00 0.77 H new ATOM 0 HB3 SER A 18 -10.620 3.252 -2.152 1.00 0.77 H new ATOM 0 HG SER A 18 -10.483 4.872 -4.487 1.00 1.07 H new ATOM 298 N ASP A 19 -10.980 5.047 0.366 1.00 0.51 N ATOM 299 CA ASP A 19 -11.969 5.398 1.382 1.00 0.56 C ATOM 300 C ASP A 19 -11.611 6.718 2.063 1.00 0.49 C ATOM 301 O ASP A 19 -12.241 7.117 3.039 1.00 0.66 O ATOM 302 CB ASP A 19 -12.126 4.261 2.403 1.00 0.87 C ATOM 303 CG ASP A 19 -10.983 4.170 3.420 1.00 1.49 C ATOM 304 OD1 ASP A 19 -9.883 4.684 3.111 1.00 3.42 O ATOM 305 OD2 ASP A 19 -11.225 3.582 4.501 1.00 1.85 O ATOM 0 H ASP A 19 -10.270 4.387 0.683 1.00 0.51 H new ATOM 0 HA ASP A 19 -12.931 5.537 0.889 1.00 0.56 H new ATOM 0 HB2 ASP A 19 -13.065 4.396 2.939 1.00 0.87 H new ATOM 0 HB3 ASP A 19 -12.198 3.314 1.868 1.00 0.87 H new ATOM 310 N SER A 20 -10.614 7.422 1.525 1.00 0.52 N ATOM 311 CA SER A 20 -10.061 8.646 2.068 1.00 0.63 C ATOM 312 C SER A 20 -9.610 8.481 3.519 1.00 0.69 C ATOM 313 O SER A 20 -9.609 9.447 4.285 1.00 0.75 O ATOM 314 CB SER A 20 -11.057 9.786 1.863 1.00 0.63 C ATOM 315 OG SER A 20 -11.378 9.872 0.488 1.00 1.34 O ATOM 0 H SER A 20 -10.155 7.135 0.660 1.00 0.52 H new ATOM 0 HA SER A 20 -9.151 8.901 1.525 1.00 0.63 H new ATOM 0 HB2 SER A 20 -11.958 9.609 2.450 1.00 0.63 H new ATOM 0 HB3 SER A 20 -10.630 10.727 2.210 1.00 0.63 H new ATOM 0 HG SER A 20 -12.018 10.600 0.347 1.00 1.34 H new ATOM 321 N ASN A 21 -9.107 7.298 3.884 1.00 0.70 N ATOM 322 CA ASN A 21 -8.371 7.146 5.128 1.00 0.63 C ATOM 323 C ASN A 21 -6.968 7.739 4.984 1.00 0.48 C ATOM 324 O ASN A 21 -6.360 8.063 5.996 1.00 0.50 O ATOM 325 CB ASN A 21 -8.324 5.686 5.597 1.00 0.68 C ATOM 326 CG ASN A 21 -7.683 5.570 6.982 1.00 1.59 C ATOM 327 OD1 ASN A 21 -8.205 6.111 7.956 1.00 1.95 O ATOM 328 ND2 ASN A 21 -6.560 4.865 7.091 1.00 2.75 N ATOM 0 H ASN A 21 -9.198 6.442 3.336 1.00 0.70 H new ATOM 0 HA ASN A 21 -8.902 7.699 5.903 1.00 0.63 H new ATOM 0 HB2 ASN A 21 -9.334 5.278 5.626 1.00 0.68 H new ATOM 0 HB3 ASN A 21 -7.759 5.089 4.881 1.00 0.68 H new ATOM 0 HD21 ASN A 21 -6.109 4.762 8.000 1.00 2.75 H new ATOM 0 HD22 ASN A 21 -6.150 4.428 6.266 1.00 2.75 H new ATOM 335 N PHE A 22 -6.443 7.961 3.769 1.00 0.49 N ATOM 336 CA PHE A 22 -5.109 8.515 3.604 1.00 0.52 C ATOM 337 C PHE A 22 -4.950 9.859 4.317 1.00 0.55 C ATOM 338 O PHE A 22 -4.043 9.987 5.137 1.00 0.52 O ATOM 339 CB PHE A 22 -4.737 8.550 2.122 1.00 0.72 C ATOM 340 CG PHE A 22 -3.939 9.756 1.696 1.00 0.83 C ATOM 341 CD1 PHE A 22 -2.664 10.011 2.230 1.00 1.87 C ATOM 342 CD2 PHE A 22 -4.515 10.663 0.798 1.00 2.19 C ATOM 343 CE1 PHE A 22 -1.984 11.187 1.879 1.00 2.19 C ATOM 344 CE2 PHE A 22 -3.854 11.849 0.479 1.00 2.38 C ATOM 345 CZ PHE A 22 -2.580 12.117 1.009 1.00 1.70 C ATOM 0 H PHE A 22 -6.928 7.763 2.894 1.00 0.49 H new ATOM 0 HA PHE A 22 -4.390 7.859 4.096 1.00 0.52 H new ATOM 0 HB2 PHE A 22 -4.166 7.652 1.884 1.00 0.72 H new ATOM 0 HB3 PHE A 22 -5.652 8.511 1.532 1.00 0.72 H new ATOM 0 HD1 PHE A 22 -2.209 9.304 2.908 1.00 1.87 H new ATOM 0 HD2 PHE A 22 -5.474 10.444 0.351 1.00 2.19 H new ATOM 0 HE1 PHE A 22 -0.999 11.379 2.279 1.00 2.19 H new ATOM 0 HE2 PHE A 22 -4.324 12.565 -0.179 1.00 2.38 H new ATOM 0 HZ PHE A 22 -2.063 13.029 0.750 1.00 1.70 H new ATOM 355 N PRO A 23 -5.785 10.875 4.058 1.00 0.65 N ATOM 356 CA PRO A 23 -5.610 12.151 4.718 1.00 0.78 C ATOM 357 C PRO A 23 -5.941 12.051 6.208 1.00 0.76 C ATOM 358 O PRO A 23 -5.438 12.832 7.011 1.00 0.87 O ATOM 359 CB PRO A 23 -6.542 13.120 3.988 1.00 0.97 C ATOM 360 CG PRO A 23 -7.660 12.212 3.477 1.00 0.92 C ATOM 361 CD PRO A 23 -6.923 10.913 3.158 1.00 0.71 C ATOM 0 HA PRO A 23 -4.576 12.494 4.673 1.00 0.78 H new ATOM 0 HB2 PRO A 23 -6.924 13.892 4.656 1.00 0.97 H new ATOM 0 HB3 PRO A 23 -6.032 13.630 3.171 1.00 0.97 H new ATOM 0 HG2 PRO A 23 -8.435 12.063 4.229 1.00 0.92 H new ATOM 0 HG3 PRO A 23 -8.147 12.628 2.595 1.00 0.92 H new ATOM 0 HD2 PRO A 23 -7.570 10.049 3.309 1.00 0.71 H new ATOM 0 HD3 PRO A 23 -6.600 10.892 2.117 1.00 0.71 H new ATOM 369 N ARG A 24 -6.817 11.111 6.570 1.00 0.70 N ATOM 370 CA ARG A 24 -7.312 10.937 7.925 1.00 0.77 C ATOM 371 C ARG A 24 -6.296 10.232 8.807 1.00 0.69 C ATOM 372 O ARG A 24 -6.352 10.370 10.027 1.00 1.00 O ATOM 373 CB ARG A 24 -8.629 10.156 7.829 1.00 0.83 C ATOM 374 CG ARG A 24 -9.449 10.154 9.123 1.00 1.03 C ATOM 375 CD ARG A 24 -9.250 8.869 9.933 1.00 1.58 C ATOM 376 NE ARG A 24 -10.065 8.902 11.157 1.00 2.11 N ATOM 377 CZ ARG A 24 -10.315 7.849 11.943 1.00 2.89 C ATOM 378 NH1 ARG A 24 -9.808 6.654 11.639 1.00 3.46 N ATOM 379 NH2 ARG A 24 -11.074 8.001 13.030 1.00 3.46 N ATOM 0 H ARG A 24 -7.207 10.438 5.910 1.00 0.70 H new ATOM 0 HA ARG A 24 -7.483 11.905 8.395 1.00 0.77 H new ATOM 0 HB2 ARG A 24 -9.234 10.581 7.028 1.00 0.83 H new ATOM 0 HB3 ARG A 24 -8.409 9.126 7.549 1.00 0.83 H new ATOM 0 HG2 ARG A 24 -9.166 11.013 9.732 1.00 1.03 H new ATOM 0 HG3 ARG A 24 -10.506 10.269 8.882 1.00 1.03 H new ATOM 0 HD2 ARG A 24 -9.525 8.005 9.329 1.00 1.58 H new ATOM 0 HD3 ARG A 24 -8.198 8.755 10.192 1.00 1.58 H new ATOM 0 HE ARG A 24 -10.471 9.798 11.427 1.00 2.11 H new ATOM 0 HH11 ARG A 24 -9.229 6.542 10.807 1.00 3.46 H new ATOM 0 HH12 ARG A 24 -9.999 5.851 12.239 1.00 3.46 H new ATOM 0 HH21 ARG A 24 -11.460 8.917 13.258 1.00 3.46 H new ATOM 0 HH22 ARG A 24 -11.268 7.201 13.633 1.00 3.46 H new ATOM 393 N ASP A 25 -5.380 9.473 8.218 1.00 0.41 N ATOM 394 CA ASP A 25 -4.490 8.613 8.963 1.00 0.38 C ATOM 395 C ASP A 25 -3.081 9.151 8.831 1.00 0.32 C ATOM 396 O ASP A 25 -2.405 8.999 7.810 1.00 0.30 O ATOM 397 CB ASP A 25 -4.601 7.193 8.436 1.00 0.46 C ATOM 398 CG ASP A 25 -3.983 6.182 9.379 1.00 1.55 C ATOM 399 OD1 ASP A 25 -3.069 6.587 10.134 1.00 2.89 O ATOM 400 OD2 ASP A 25 -4.454 5.023 9.314 1.00 2.17 O ATOM 0 H ASP A 25 -5.239 9.442 7.208 1.00 0.41 H new ATOM 0 HA ASP A 25 -4.758 8.596 10.019 1.00 0.38 H new ATOM 0 HB2 ASP A 25 -5.651 6.947 8.280 1.00 0.46 H new ATOM 0 HB3 ASP A 25 -4.110 7.128 7.465 1.00 0.46 H new ATOM 405 N LYS A 26 -2.623 9.800 9.897 1.00 0.34 N ATOM 406 CA LYS A 26 -1.285 10.366 9.927 1.00 0.34 C ATOM 407 C LYS A 26 -0.217 9.318 9.620 1.00 0.31 C ATOM 408 O LYS A 26 0.878 9.693 9.219 1.00 0.31 O ATOM 409 CB LYS A 26 -1.040 11.141 11.231 1.00 0.42 C ATOM 410 CG LYS A 26 -0.735 10.282 12.468 1.00 1.75 C ATOM 411 CD LYS A 26 0.757 9.933 12.578 1.00 3.53 C ATOM 412 CE LYS A 26 1.054 9.298 13.938 1.00 4.42 C ATOM 413 NZ LYS A 26 2.480 8.921 14.058 1.00 6.34 N ATOM 0 H LYS A 26 -3.162 9.945 10.751 1.00 0.34 H new ATOM 0 HA LYS A 26 -1.205 11.098 9.123 1.00 0.34 H new ATOM 0 HB2 LYS A 26 -0.208 11.827 11.074 1.00 0.42 H new ATOM 0 HB3 LYS A 26 -1.920 11.749 11.441 1.00 0.42 H new ATOM 0 HG2 LYS A 26 -1.049 10.816 13.365 1.00 1.75 H new ATOM 0 HG3 LYS A 26 -1.319 9.363 12.423 1.00 1.75 H new ATOM 0 HD2 LYS A 26 1.037 9.246 11.779 1.00 3.53 H new ATOM 0 HD3 LYS A 26 1.359 10.833 12.450 1.00 3.53 H new ATOM 0 HE2 LYS A 26 0.793 9.997 14.732 1.00 4.42 H new ATOM 0 HE3 LYS A 26 0.430 8.415 14.073 1.00 4.42 H new ATOM 0 HZ1 LYS A 26 2.649 8.493 14.991 1.00 6.34 H new ATOM 0 HZ2 LYS A 26 2.722 8.236 13.314 1.00 6.34 H new ATOM 0 HZ3 LYS A 26 3.073 9.769 13.953 1.00 6.34 H new ATOM 427 N PHE A 27 -0.489 8.024 9.817 1.00 0.32 N ATOM 428 CA PHE A 27 0.431 6.961 9.453 1.00 0.33 C ATOM 429 C PHE A 27 0.711 7.017 7.955 1.00 0.30 C ATOM 430 O PHE A 27 1.867 7.094 7.541 1.00 0.34 O ATOM 431 CB PHE A 27 -0.177 5.614 9.863 1.00 0.39 C ATOM 432 CG PHE A 27 0.785 4.446 9.841 1.00 0.45 C ATOM 433 CD1 PHE A 27 1.985 4.519 10.571 1.00 2.09 C ATOM 434 CD2 PHE A 27 0.459 3.264 9.149 1.00 1.66 C ATOM 435 CE1 PHE A 27 2.856 3.420 10.612 1.00 2.19 C ATOM 436 CE2 PHE A 27 1.328 2.160 9.198 1.00 1.58 C ATOM 437 CZ PHE A 27 2.524 2.236 9.932 1.00 0.64 C ATOM 0 H PHE A 27 -1.358 7.692 10.235 1.00 0.32 H new ATOM 0 HA PHE A 27 1.381 7.084 9.974 1.00 0.33 H new ATOM 0 HB2 PHE A 27 -0.588 5.708 10.868 1.00 0.39 H new ATOM 0 HB3 PHE A 27 -1.011 5.391 9.198 1.00 0.39 H new ATOM 0 HD1 PHE A 27 2.237 5.425 11.102 1.00 2.09 H new ATOM 0 HD2 PHE A 27 -0.458 3.205 8.581 1.00 1.66 H new ATOM 0 HE1 PHE A 27 3.781 3.484 11.166 1.00 2.19 H new ATOM 0 HE2 PHE A 27 1.076 1.252 8.671 1.00 1.58 H new ATOM 0 HZ PHE A 27 3.188 1.385 9.973 1.00 0.64 H new ATOM 447 N LEU A 28 -0.350 7.026 7.143 1.00 0.27 N ATOM 448 CA LEU A 28 -0.217 7.111 5.694 1.00 0.30 C ATOM 449 C LEU A 28 0.506 8.394 5.337 1.00 0.29 C ATOM 450 O LEU A 28 1.542 8.356 4.685 1.00 0.33 O ATOM 451 CB LEU A 28 -1.585 7.097 5.008 1.00 0.37 C ATOM 452 CG LEU A 28 -2.143 5.673 4.850 1.00 0.46 C ATOM 453 CD1 LEU A 28 -3.641 5.569 5.174 1.00 0.55 C ATOM 454 CD2 LEU A 28 -1.882 5.203 3.411 1.00 0.64 C ATOM 0 H LEU A 28 -1.314 6.975 7.472 1.00 0.27 H new ATOM 0 HA LEU A 28 0.348 6.245 5.349 1.00 0.30 H new ATOM 0 HB2 LEU A 28 -2.286 7.697 5.588 1.00 0.37 H new ATOM 0 HB3 LEU A 28 -1.502 7.563 4.026 1.00 0.37 H new ATOM 0 HG LEU A 28 -1.632 5.034 5.570 1.00 0.46 H new ATOM 0 HD11 LEU A 28 -3.971 4.538 5.043 1.00 0.55 H new ATOM 0 HD12 LEU A 28 -3.812 5.876 6.206 1.00 0.55 H new ATOM 0 HD13 LEU A 28 -4.204 6.218 4.504 1.00 0.55 H new ATOM 0 HD21 LEU A 28 -2.272 4.193 3.282 1.00 0.64 H new ATOM 0 HD22 LEU A 28 -2.379 5.876 2.713 1.00 0.64 H new ATOM 0 HD23 LEU A 28 -0.810 5.205 3.216 1.00 0.64 H new ATOM 466 N ARG A 29 -0.035 9.533 5.768 1.00 0.31 N ATOM 467 CA ARG A 29 0.521 10.846 5.472 1.00 0.34 C ATOM 468 C ARG A 29 1.991 10.935 5.849 1.00 0.31 C ATOM 469 O ARG A 29 2.725 11.646 5.176 1.00 0.36 O ATOM 470 CB ARG A 29 -0.275 11.963 6.158 1.00 0.46 C ATOM 471 CG ARG A 29 -1.393 12.488 5.254 1.00 1.07 C ATOM 472 CD ARG A 29 -2.082 13.695 5.904 1.00 1.20 C ATOM 473 NE ARG A 29 -2.390 14.732 4.906 1.00 1.97 N ATOM 474 CZ ARG A 29 -2.446 16.048 5.150 1.00 2.37 C ATOM 475 NH1 ARG A 29 -2.392 16.504 6.403 1.00 2.85 N ATOM 476 NH2 ARG A 29 -2.550 16.911 4.138 1.00 3.24 N ATOM 0 H ARG A 29 -0.880 9.567 6.338 1.00 0.31 H new ATOM 0 HA ARG A 29 0.442 10.984 4.394 1.00 0.34 H new ATOM 0 HB2 ARG A 29 -0.703 11.589 7.088 1.00 0.46 H new ATOM 0 HB3 ARG A 29 0.396 12.781 6.422 1.00 0.46 H new ATOM 0 HG2 ARG A 29 -0.983 12.773 4.285 1.00 1.07 H new ATOM 0 HG3 ARG A 29 -2.123 11.699 5.071 1.00 1.07 H new ATOM 0 HD2 ARG A 29 -3.001 13.373 6.393 1.00 1.20 H new ATOM 0 HD3 ARG A 29 -1.438 14.111 6.678 1.00 1.20 H new ATOM 0 HE ARG A 29 -2.576 14.424 3.952 1.00 1.97 H new ATOM 0 HH11 ARG A 29 -2.308 15.849 7.181 1.00 2.85 H new ATOM 0 HH12 ARG A 29 -2.435 17.507 6.583 1.00 2.85 H new ATOM 0 HH21 ARG A 29 -2.587 16.569 3.178 1.00 3.24 H new ATOM 0 HH22 ARG A 29 -2.593 17.913 4.324 1.00 3.24 H new ATOM 490 N SER A 30 2.435 10.263 6.908 1.00 0.30 N ATOM 491 CA SER A 30 3.822 10.353 7.324 1.00 0.34 C ATOM 492 C SER A 30 4.735 9.776 6.254 1.00 0.33 C ATOM 493 O SER A 30 5.811 10.329 6.030 1.00 0.47 O ATOM 494 CB SER A 30 4.022 9.628 8.658 1.00 0.41 C ATOM 495 OG SER A 30 5.307 9.887 9.190 1.00 1.33 O ATOM 0 H SER A 30 1.855 9.656 7.487 1.00 0.30 H new ATOM 0 HA SER A 30 4.080 11.403 7.461 1.00 0.34 H new ATOM 0 HB2 SER A 30 3.260 9.949 9.368 1.00 0.41 H new ATOM 0 HB3 SER A 30 3.893 8.555 8.515 1.00 0.41 H new ATOM 0 HG SER A 30 5.410 9.414 10.042 1.00 1.33 H new ATOM 501 N GLU A 31 4.363 8.655 5.632 1.00 0.27 N ATOM 502 CA GLU A 31 5.217 8.119 4.582 1.00 0.28 C ATOM 503 C GLU A 31 4.991 8.884 3.284 1.00 0.26 C ATOM 504 O GLU A 31 5.949 9.232 2.602 1.00 0.30 O ATOM 505 CB GLU A 31 5.027 6.608 4.409 1.00 0.36 C ATOM 506 CG GLU A 31 6.258 5.859 4.939 1.00 1.13 C ATOM 507 CD GLU A 31 7.535 6.234 4.183 1.00 1.90 C ATOM 508 OE1 GLU A 31 7.727 5.655 3.092 1.00 2.88 O ATOM 509 OE2 GLU A 31 8.297 7.077 4.705 1.00 2.87 O ATOM 0 H GLU A 31 3.514 8.124 5.828 1.00 0.27 H new ATOM 0 HA GLU A 31 6.257 8.259 4.877 1.00 0.28 H new ATOM 0 HB2 GLU A 31 4.135 6.282 4.944 1.00 0.36 H new ATOM 0 HB3 GLU A 31 4.872 6.371 3.356 1.00 0.36 H new ATOM 0 HG2 GLU A 31 6.387 6.080 5.998 1.00 1.13 H new ATOM 0 HG3 GLU A 31 6.091 4.785 4.856 1.00 1.13 H new ATOM 516 N ALA A 32 3.736 9.207 2.961 1.00 0.25 N ATOM 517 CA ALA A 32 3.408 9.939 1.747 1.00 0.30 C ATOM 518 C ALA A 32 4.186 11.261 1.705 1.00 0.34 C ATOM 519 O ALA A 32 4.652 11.688 0.649 1.00 0.40 O ATOM 520 CB ALA A 32 1.891 10.146 1.708 1.00 0.34 C ATOM 0 H ALA A 32 2.927 8.968 3.534 1.00 0.25 H new ATOM 0 HA ALA A 32 3.701 9.378 0.859 1.00 0.30 H new ATOM 0 HB1 ALA A 32 1.622 10.694 0.805 1.00 0.34 H new ATOM 0 HB2 ALA A 32 1.391 9.177 1.707 1.00 0.34 H new ATOM 0 HB3 ALA A 32 1.579 10.715 2.584 1.00 0.34 H new ATOM 526 N ALA A 33 4.407 11.881 2.870 1.00 0.37 N ATOM 527 CA ALA A 33 5.133 13.133 3.043 1.00 0.44 C ATOM 528 C ALA A 33 6.605 13.070 2.612 1.00 0.47 C ATOM 529 O ALA A 33 7.275 14.100 2.616 1.00 0.60 O ATOM 530 CB ALA A 33 5.021 13.578 4.508 1.00 0.50 C ATOM 0 H ALA A 33 4.067 11.502 3.754 1.00 0.37 H new ATOM 0 HA ALA A 33 4.669 13.863 2.379 1.00 0.44 H new ATOM 0 HB1 ALA A 33 5.562 14.514 4.646 1.00 0.50 H new ATOM 0 HB2 ALA A 33 3.972 13.724 4.765 1.00 0.50 H new ATOM 0 HB3 ALA A 33 5.450 12.813 5.155 1.00 0.50 H new ATOM 536 N LYS A 34 7.137 11.916 2.198 1.00 0.42 N ATOM 537 CA LYS A 34 8.479 11.846 1.645 1.00 0.46 C ATOM 538 C LYS A 34 8.448 12.261 0.175 1.00 0.49 C ATOM 539 O LYS A 34 9.474 12.683 -0.357 1.00 0.62 O ATOM 540 CB LYS A 34 9.021 10.412 1.781 1.00 0.45 C ATOM 541 CG LYS A 34 9.938 10.224 2.995 1.00 0.63 C ATOM 542 CD LYS A 34 9.224 10.420 4.342 1.00 0.78 C ATOM 543 CE LYS A 34 9.777 11.632 5.099 1.00 1.58 C ATOM 544 NZ LYS A 34 11.174 11.415 5.538 1.00 2.62 N ATOM 0 H LYS A 34 6.652 11.020 2.239 1.00 0.42 H new ATOM 0 HA LYS A 34 9.135 12.524 2.192 1.00 0.46 H new ATOM 0 HB2 LYS A 34 8.183 9.720 1.857 1.00 0.45 H new ATOM 0 HB3 LYS A 34 9.569 10.151 0.876 1.00 0.45 H new ATOM 0 HG2 LYS A 34 10.368 9.223 2.963 1.00 0.63 H new ATOM 0 HG3 LYS A 34 10.767 10.929 2.927 1.00 0.63 H new ATOM 0 HD2 LYS A 34 8.155 10.552 4.173 1.00 0.78 H new ATOM 0 HD3 LYS A 34 9.342 9.524 4.951 1.00 0.78 H new ATOM 0 HE2 LYS A 34 9.730 12.513 4.459 1.00 1.58 H new ATOM 0 HE3 LYS A 34 9.150 11.835 5.967 1.00 1.58 H new ATOM 0 HZ1 LYS A 34 11.418 12.107 6.275 1.00 2.62 H new ATOM 0 HZ2 LYS A 34 11.272 10.453 5.920 1.00 2.62 H new ATOM 0 HZ3 LYS A 34 11.815 11.533 4.727 1.00 2.62 H new ATOM 558 N ASN A 35 7.309 12.131 -0.511 1.00 0.46 N ATOM 559 CA ASN A 35 7.207 12.517 -1.913 1.00 0.56 C ATOM 560 C ASN A 35 5.756 12.738 -2.323 1.00 0.58 C ATOM 561 O ASN A 35 5.304 12.161 -3.309 1.00 0.70 O ATOM 562 CB ASN A 35 7.884 11.443 -2.777 1.00 0.67 C ATOM 563 CG ASN A 35 8.860 12.047 -3.771 1.00 0.98 C ATOM 564 OD1 ASN A 35 8.656 11.996 -4.977 1.00 1.91 O ATOM 565 ND2 ASN A 35 9.949 12.611 -3.267 1.00 2.23 N ATOM 0 H ASN A 35 6.446 11.760 -0.114 1.00 0.46 H new ATOM 0 HA ASN A 35 7.719 13.467 -2.064 1.00 0.56 H new ATOM 0 HB2 ASN A 35 8.411 10.739 -2.133 1.00 0.67 H new ATOM 0 HB3 ASN A 35 7.123 10.877 -3.314 1.00 0.67 H new ATOM 0 HD21 ASN A 35 10.647 13.019 -3.889 1.00 2.23 H new ATOM 0 HD22 ASN A 35 10.089 12.637 -2.257 1.00 2.23 H new ATOM 572 N VAL A 36 5.032 13.586 -1.588 1.00 0.58 N ATOM 573 CA VAL A 36 3.608 13.853 -1.779 1.00 0.61 C ATOM 574 C VAL A 36 2.768 12.598 -1.516 1.00 0.58 C ATOM 575 O VAL A 36 2.076 12.546 -0.504 1.00 0.56 O ATOM 576 CB VAL A 36 3.376 14.541 -3.140 1.00 0.70 C ATOM 577 CG1 VAL A 36 1.937 14.418 -3.636 1.00 0.77 C ATOM 578 CG2 VAL A 36 3.753 16.021 -3.030 1.00 0.73 C ATOM 0 H VAL A 36 5.436 14.122 -0.820 1.00 0.58 H new ATOM 0 HA VAL A 36 3.254 14.566 -1.034 1.00 0.61 H new ATOM 0 HB VAL A 36 4.007 14.032 -3.868 1.00 0.70 H new ATOM 0 HG11 VAL A 36 1.839 14.922 -4.597 1.00 0.77 H new ATOM 0 HG12 VAL A 36 1.680 13.365 -3.751 1.00 0.77 H new ATOM 0 HG13 VAL A 36 1.263 14.879 -2.914 1.00 0.77 H new ATOM 0 HG21 VAL A 36 3.590 16.510 -3.990 1.00 0.73 H new ATOM 0 HG22 VAL A 36 3.135 16.498 -2.270 1.00 0.73 H new ATOM 0 HG23 VAL A 36 4.803 16.109 -2.751 1.00 0.73 H new ATOM 588 N ASP A 37 2.809 11.620 -2.424 1.00 0.62 N ATOM 589 CA ASP A 37 2.182 10.306 -2.302 1.00 0.63 C ATOM 590 C ASP A 37 2.757 9.350 -3.360 1.00 0.65 C ATOM 591 O ASP A 37 2.068 8.510 -3.931 1.00 0.73 O ATOM 592 CB ASP A 37 0.666 10.447 -2.461 1.00 0.74 C ATOM 593 CG ASP A 37 -0.025 9.109 -2.234 1.00 1.27 C ATOM 594 OD1 ASP A 37 0.263 8.479 -1.191 1.00 2.13 O ATOM 595 OD2 ASP A 37 -0.851 8.746 -3.098 1.00 2.15 O ATOM 0 H ASP A 37 3.306 11.731 -3.308 1.00 0.62 H new ATOM 0 HA ASP A 37 2.393 9.890 -1.317 1.00 0.63 H new ATOM 0 HB2 ASP A 37 0.288 11.183 -1.751 1.00 0.74 H new ATOM 0 HB3 ASP A 37 0.433 10.818 -3.459 1.00 0.74 H new ATOM 600 N ASN A 38 4.044 9.490 -3.692 1.00 0.63 N ATOM 601 CA ASN A 38 4.697 8.564 -4.615 1.00 0.61 C ATOM 602 C ASN A 38 5.609 7.584 -3.887 1.00 0.53 C ATOM 603 O ASN A 38 6.129 6.659 -4.506 1.00 0.63 O ATOM 604 CB ASN A 38 5.483 9.331 -5.697 1.00 0.74 C ATOM 605 CG ASN A 38 4.694 9.491 -6.986 1.00 1.37 C ATOM 606 OD1 ASN A 38 5.165 9.104 -8.057 1.00 2.68 O ATOM 607 ND2 ASN A 38 3.486 10.030 -6.903 1.00 1.78 N ATOM 0 H ASN A 38 4.649 10.231 -3.337 1.00 0.63 H new ATOM 0 HA ASN A 38 3.911 7.984 -5.099 1.00 0.61 H new ATOM 0 HB2 ASN A 38 5.753 10.316 -5.316 1.00 0.74 H new ATOM 0 HB3 ASN A 38 6.414 8.804 -5.907 1.00 0.74 H new ATOM 0 HD21 ASN A 38 2.916 10.135 -7.742 1.00 1.78 H new ATOM 0 HD22 ASN A 38 3.127 10.340 -6.000 1.00 1.78 H new ATOM 614 N TYR A 39 5.884 7.831 -2.606 1.00 0.49 N ATOM 615 CA TYR A 39 6.818 7.054 -1.814 1.00 0.48 C ATOM 616 C TYR A 39 6.008 6.585 -0.617 1.00 0.39 C ATOM 617 O TYR A 39 5.486 7.416 0.121 1.00 0.45 O ATOM 618 CB TYR A 39 8.024 7.903 -1.373 1.00 0.60 C ATOM 619 CG TYR A 39 9.108 8.213 -2.406 1.00 1.08 C ATOM 620 CD1 TYR A 39 8.795 8.622 -3.719 1.00 2.23 C ATOM 621 CD2 TYR A 39 10.462 8.166 -2.021 1.00 2.23 C ATOM 622 CE1 TYR A 39 9.798 8.997 -4.626 1.00 2.88 C ATOM 623 CE2 TYR A 39 11.479 8.531 -2.924 1.00 2.76 C ATOM 624 CZ TYR A 39 11.150 8.959 -4.228 1.00 2.67 C ATOM 625 OH TYR A 39 12.134 9.349 -5.085 1.00 3.49 O ATOM 0 H TYR A 39 5.451 8.594 -2.086 1.00 0.49 H new ATOM 0 HA TYR A 39 7.239 6.222 -2.378 1.00 0.48 H new ATOM 0 HB2 TYR A 39 7.643 8.852 -0.996 1.00 0.60 H new ATOM 0 HB3 TYR A 39 8.500 7.395 -0.534 1.00 0.60 H new ATOM 0 HD1 TYR A 39 7.762 8.647 -4.033 1.00 2.23 H new ATOM 0 HD2 TYR A 39 10.723 7.847 -1.023 1.00 2.23 H new ATOM 0 HE1 TYR A 39 9.535 9.313 -5.625 1.00 2.88 H new ATOM 0 HE2 TYR A 39 12.514 8.483 -2.618 1.00 2.76 H new ATOM 0 HH TYR A 39 13.005 9.259 -4.645 1.00 3.49 H new ATOM 635 N ILE A 40 5.815 5.273 -0.489 1.00 0.32 N ATOM 636 CA ILE A 40 5.102 4.677 0.624 1.00 0.29 C ATOM 637 C ILE A 40 5.840 3.380 0.941 1.00 0.26 C ATOM 638 O ILE A 40 5.817 2.463 0.120 1.00 0.25 O ATOM 639 CB ILE A 40 3.617 4.430 0.275 1.00 0.35 C ATOM 640 CG1 ILE A 40 2.953 5.615 -0.459 1.00 0.41 C ATOM 641 CG2 ILE A 40 2.854 4.113 1.570 1.00 0.55 C ATOM 642 CD1 ILE A 40 1.556 5.278 -0.986 1.00 0.43 C ATOM 0 H ILE A 40 6.156 4.592 -1.167 1.00 0.32 H new ATOM 0 HA ILE A 40 5.086 5.338 1.491 1.00 0.29 H new ATOM 0 HB ILE A 40 3.577 3.589 -0.417 1.00 0.35 H new ATOM 0 HG12 ILE A 40 2.885 6.465 0.220 1.00 0.41 H new ATOM 0 HG13 ILE A 40 3.586 5.922 -1.291 1.00 0.41 H new ATOM 0 HG21 ILE A 40 1.803 3.936 1.339 1.00 0.55 H new ATOM 0 HG22 ILE A 40 3.279 3.223 2.034 1.00 0.55 H new ATOM 0 HG23 ILE A 40 2.938 4.955 2.257 1.00 0.55 H new ATOM 0 HD11 ILE A 40 1.138 6.148 -1.492 1.00 0.43 H new ATOM 0 HD12 ILE A 40 1.623 4.447 -1.688 1.00 0.43 H new ATOM 0 HD13 ILE A 40 0.911 4.999 -0.153 1.00 0.43 H new ATOM 654 N SER A 41 6.527 3.311 2.080 1.00 0.32 N ATOM 655 CA SER A 41 7.389 2.199 2.408 1.00 0.31 C ATOM 656 C SER A 41 6.579 0.929 2.597 1.00 0.25 C ATOM 657 O SER A 41 5.573 0.921 3.308 1.00 0.29 O ATOM 658 CB SER A 41 8.218 2.523 3.649 1.00 0.39 C ATOM 659 OG SER A 41 9.140 1.476 3.870 1.00 1.28 O ATOM 0 H SER A 41 6.495 4.034 2.799 1.00 0.32 H new ATOM 0 HA SER A 41 8.075 2.029 1.578 1.00 0.31 H new ATOM 0 HB2 SER A 41 8.745 3.467 3.514 1.00 0.39 H new ATOM 0 HB3 SER A 41 7.568 2.642 4.516 1.00 0.39 H new ATOM 0 HG SER A 41 9.781 1.745 4.561 1.00 1.28 H new ATOM 665 N ILE A 42 7.088 -0.178 2.051 1.00 0.23 N ATOM 666 CA ILE A 42 6.623 -1.513 2.396 1.00 0.29 C ATOM 667 C ILE A 42 6.690 -1.740 3.907 1.00 0.31 C ATOM 668 O ILE A 42 5.988 -2.611 4.395 1.00 0.36 O ATOM 669 CB ILE A 42 7.378 -2.594 1.599 1.00 0.42 C ATOM 670 CG1 ILE A 42 6.838 -4.002 1.904 1.00 1.72 C ATOM 671 CG2 ILE A 42 8.894 -2.536 1.858 1.00 2.32 C ATOM 672 CD1 ILE A 42 7.180 -4.997 0.789 1.00 2.52 C ATOM 0 H ILE A 42 7.835 -0.168 1.357 1.00 0.23 H new ATOM 0 HA ILE A 42 5.575 -1.596 2.109 1.00 0.29 H new ATOM 0 HB ILE A 42 7.206 -2.384 0.543 1.00 0.42 H new ATOM 0 HG12 ILE A 42 7.256 -4.355 2.847 1.00 1.72 H new ATOM 0 HG13 ILE A 42 5.756 -3.957 2.032 1.00 1.72 H new ATOM 0 HG21 ILE A 42 9.392 -3.313 1.279 1.00 2.32 H new ATOM 0 HG22 ILE A 42 9.277 -1.560 1.560 1.00 2.32 H new ATOM 0 HG23 ILE A 42 9.088 -2.694 2.919 1.00 2.32 H new ATOM 0 HD11 ILE A 42 6.781 -5.979 1.043 1.00 2.52 H new ATOM 0 HD12 ILE A 42 6.740 -4.658 -0.149 1.00 2.52 H new ATOM 0 HD13 ILE A 42 8.262 -5.062 0.679 1.00 2.52 H new ATOM 684 N ASP A 43 7.467 -0.967 4.669 1.00 0.31 N ATOM 685 CA ASP A 43 7.445 -1.105 6.122 1.00 0.33 C ATOM 686 C ASP A 43 6.115 -0.601 6.674 1.00 0.34 C ATOM 687 O ASP A 43 5.513 -1.250 7.522 1.00 0.36 O ATOM 688 CB ASP A 43 8.614 -0.361 6.785 1.00 0.42 C ATOM 689 CG ASP A 43 9.866 -1.231 6.883 1.00 1.13 C ATOM 690 OD1 ASP A 43 10.051 -2.087 5.989 1.00 2.07 O ATOM 691 OD2 ASP A 43 10.622 -1.024 7.856 1.00 2.28 O ATOM 0 H ASP A 43 8.105 -0.255 4.312 1.00 0.31 H new ATOM 0 HA ASP A 43 7.556 -2.163 6.357 1.00 0.33 H new ATOM 0 HB2 ASP A 43 8.842 0.539 6.213 1.00 0.42 H new ATOM 0 HB3 ASP A 43 8.318 -0.038 7.783 1.00 0.42 H new ATOM 696 N VAL A 44 5.628 0.552 6.211 1.00 0.38 N ATOM 697 CA VAL A 44 4.373 1.119 6.662 1.00 0.43 C ATOM 698 C VAL A 44 3.240 0.202 6.215 1.00 0.43 C ATOM 699 O VAL A 44 2.366 -0.145 7.004 1.00 0.45 O ATOM 700 CB VAL A 44 4.268 2.560 6.124 1.00 0.51 C ATOM 701 CG1 VAL A 44 2.853 2.973 5.735 1.00 0.63 C ATOM 702 CG2 VAL A 44 4.813 3.526 7.179 1.00 0.61 C ATOM 0 H VAL A 44 6.104 1.116 5.507 1.00 0.38 H new ATOM 0 HA VAL A 44 4.311 1.185 7.748 1.00 0.43 H new ATOM 0 HB VAL A 44 4.858 2.598 5.208 1.00 0.51 H new ATOM 0 HG11 VAL A 44 2.862 3.999 5.366 1.00 0.63 H new ATOM 0 HG12 VAL A 44 2.482 2.310 4.954 1.00 0.63 H new ATOM 0 HG13 VAL A 44 2.202 2.906 6.607 1.00 0.63 H new ATOM 0 HG21 VAL A 44 4.743 4.548 6.807 1.00 0.61 H new ATOM 0 HG22 VAL A 44 4.229 3.432 8.095 1.00 0.61 H new ATOM 0 HG23 VAL A 44 5.856 3.287 7.387 1.00 0.61 H new ATOM 712 N ILE A 45 3.246 -0.209 4.948 1.00 0.44 N ATOM 713 CA ILE A 45 2.164 -1.000 4.383 1.00 0.49 C ATOM 714 C ILE A 45 2.167 -2.396 5.014 1.00 0.47 C ATOM 715 O ILE A 45 1.117 -2.964 5.288 1.00 0.54 O ATOM 716 CB ILE A 45 2.291 -1.059 2.855 1.00 0.53 C ATOM 717 CG1 ILE A 45 2.512 0.323 2.196 1.00 0.58 C ATOM 718 CG2 ILE A 45 1.001 -1.639 2.262 1.00 0.62 C ATOM 719 CD1 ILE A 45 3.105 0.206 0.788 1.00 0.55 C ATOM 0 H ILE A 45 3.998 -0.002 4.291 1.00 0.44 H new ATOM 0 HA ILE A 45 1.206 -0.531 4.609 1.00 0.49 H new ATOM 0 HB ILE A 45 3.164 -1.678 2.650 1.00 0.53 H new ATOM 0 HG12 ILE A 45 1.562 0.855 2.145 1.00 0.58 H new ATOM 0 HG13 ILE A 45 3.178 0.919 2.820 1.00 0.58 H new ATOM 0 HG21 ILE A 45 1.087 -1.683 1.176 1.00 0.62 H new ATOM 0 HG22 ILE A 45 0.840 -2.643 2.654 1.00 0.62 H new ATOM 0 HG23 ILE A 45 0.158 -1.004 2.534 1.00 0.62 H new ATOM 0 HD11 ILE A 45 3.242 1.202 0.367 1.00 0.55 H new ATOM 0 HD12 ILE A 45 4.068 -0.301 0.840 1.00 0.55 H new ATOM 0 HD13 ILE A 45 2.427 -0.366 0.154 1.00 0.55 H new ATOM 731 N ALA A 46 3.337 -2.970 5.279 1.00 0.41 N ATOM 732 CA ALA A 46 3.405 -4.234 5.992 1.00 0.43 C ATOM 733 C ALA A 46 2.949 -4.039 7.432 1.00 0.45 C ATOM 734 O ALA A 46 2.362 -4.941 8.021 1.00 0.60 O ATOM 735 CB ALA A 46 4.822 -4.809 5.959 1.00 0.36 C ATOM 0 H ALA A 46 4.241 -2.581 5.012 1.00 0.41 H new ATOM 0 HA ALA A 46 2.743 -4.944 5.497 1.00 0.43 H new ATOM 0 HB1 ALA A 46 4.844 -5.755 6.500 1.00 0.36 H new ATOM 0 HB2 ALA A 46 5.123 -4.976 4.925 1.00 0.36 H new ATOM 0 HB3 ALA A 46 5.511 -4.107 6.429 1.00 0.36 H new ATOM 741 N SER A 47 3.207 -2.862 8.002 1.00 0.38 N ATOM 742 CA SER A 47 2.867 -2.551 9.381 1.00 0.40 C ATOM 743 C SER A 47 1.489 -1.880 9.467 1.00 0.49 C ATOM 744 O SER A 47 1.101 -1.371 10.514 1.00 0.65 O ATOM 745 CB SER A 47 3.992 -1.699 9.977 1.00 0.40 C ATOM 746 OG SER A 47 3.941 -1.686 11.390 1.00 0.57 O ATOM 0 H SER A 47 3.663 -2.093 7.510 1.00 0.38 H new ATOM 0 HA SER A 47 2.784 -3.464 9.971 1.00 0.40 H new ATOM 0 HB2 SER A 47 4.956 -2.088 9.651 1.00 0.40 H new ATOM 0 HB3 SER A 47 3.916 -0.679 9.600 1.00 0.40 H new ATOM 0 HG SER A 47 3.010 -1.595 11.683 1.00 0.57 H new ATOM 752 N PHE A 48 0.669 -1.958 8.415 1.00 0.44 N ATOM 753 CA PHE A 48 -0.680 -1.389 8.415 1.00 0.49 C ATOM 754 C PHE A 48 -1.675 -2.193 9.267 1.00 0.52 C ATOM 755 O PHE A 48 -2.882 -2.023 9.111 1.00 0.84 O ATOM 756 CB PHE A 48 -1.177 -1.333 6.967 1.00 0.54 C ATOM 757 CG PHE A 48 -1.776 -0.024 6.529 1.00 0.53 C ATOM 758 CD1 PHE A 48 -0.939 0.955 5.963 1.00 1.81 C ATOM 759 CD2 PHE A 48 -3.166 0.169 6.579 1.00 1.92 C ATOM 760 CE1 PHE A 48 -1.499 2.094 5.368 1.00 1.73 C ATOM 761 CE2 PHE A 48 -3.722 1.328 6.021 1.00 2.10 C ATOM 762 CZ PHE A 48 -2.891 2.263 5.387 1.00 0.83 C ATOM 0 H PHE A 48 0.922 -2.417 7.540 1.00 0.44 H new ATOM 0 HA PHE A 48 -0.623 -0.395 8.859 1.00 0.49 H new ATOM 0 HB2 PHE A 48 -0.342 -1.567 6.307 1.00 0.54 H new ATOM 0 HB3 PHE A 48 -1.922 -2.116 6.828 1.00 0.54 H new ATOM 0 HD1 PHE A 48 0.133 0.829 5.987 1.00 1.81 H new ATOM 0 HD2 PHE A 48 -3.802 -0.570 7.044 1.00 1.92 H new ATOM 0 HE1 PHE A 48 -0.866 2.833 4.900 1.00 1.73 H new ATOM 0 HE2 PHE A 48 -4.787 1.501 6.079 1.00 2.10 H new ATOM 0 HZ PHE A 48 -3.329 3.125 4.907 1.00 0.83 H new ATOM 772 N ASN A 49 -1.197 -3.096 10.132 1.00 0.55 N ATOM 773 CA ASN A 49 -1.951 -4.068 10.914 1.00 0.57 C ATOM 774 C ASN A 49 -2.851 -4.948 10.047 1.00 0.54 C ATOM 775 O ASN A 49 -2.483 -6.075 9.741 1.00 0.53 O ATOM 776 CB ASN A 49 -2.692 -3.395 12.075 1.00 0.70 C ATOM 777 CG ASN A 49 -3.130 -4.441 13.095 1.00 0.89 C ATOM 778 OD1 ASN A 49 -2.562 -5.521 13.169 1.00 1.35 O ATOM 779 ND2 ASN A 49 -4.136 -4.143 13.904 1.00 1.65 N ATOM 0 H ASN A 49 -0.196 -3.167 10.313 1.00 0.55 H new ATOM 0 HA ASN A 49 -1.233 -4.754 11.362 1.00 0.57 H new ATOM 0 HB2 ASN A 49 -2.044 -2.660 12.552 1.00 0.70 H new ATOM 0 HB3 ASN A 49 -3.562 -2.857 11.698 1.00 0.70 H new ATOM 0 HD21 ASN A 49 -4.447 -4.819 14.601 1.00 1.65 H new ATOM 0 HD22 ASN A 49 -4.599 -3.237 13.829 1.00 1.65 H new ATOM 786 N ARG A 50 -3.991 -4.425 9.591 1.00 0.59 N ATOM 787 CA ARG A 50 -4.960 -5.106 8.738 1.00 0.63 C ATOM 788 C ARG A 50 -4.285 -5.743 7.524 1.00 0.59 C ATOM 789 O ARG A 50 -4.641 -6.845 7.115 1.00 0.61 O ATOM 790 CB ARG A 50 -6.006 -4.073 8.297 1.00 0.77 C ATOM 791 CG ARG A 50 -7.302 -4.708 7.790 1.00 0.76 C ATOM 792 CD ARG A 50 -8.158 -3.613 7.141 1.00 0.74 C ATOM 793 NE ARG A 50 -9.597 -3.861 7.318 1.00 1.25 N ATOM 794 CZ ARG A 50 -10.348 -3.398 8.328 1.00 1.94 C ATOM 795 NH1 ARG A 50 -9.804 -2.657 9.296 1.00 3.07 N ATOM 796 NH2 ARG A 50 -11.651 -3.681 8.378 1.00 2.38 N ATOM 0 H ARG A 50 -4.274 -3.472 9.818 1.00 0.59 H new ATOM 0 HA ARG A 50 -5.434 -5.914 9.294 1.00 0.63 H new ATOM 0 HB2 ARG A 50 -6.235 -3.416 9.136 1.00 0.77 H new ATOM 0 HB3 ARG A 50 -5.582 -3.449 7.510 1.00 0.77 H new ATOM 0 HG2 ARG A 50 -7.082 -5.494 7.068 1.00 0.76 H new ATOM 0 HG3 ARG A 50 -7.843 -5.174 8.614 1.00 0.76 H new ATOM 0 HD2 ARG A 50 -7.901 -2.647 7.575 1.00 0.74 H new ATOM 0 HD3 ARG A 50 -7.928 -3.556 6.077 1.00 0.74 H new ATOM 0 HE ARG A 50 -10.063 -4.433 6.614 1.00 1.25 H new ATOM 0 HH11 ARG A 50 -8.808 -2.438 9.272 1.00 3.07 H new ATOM 0 HH12 ARG A 50 -10.384 -2.310 10.060 1.00 3.07 H new ATOM 0 HH21 ARG A 50 -12.078 -4.250 7.647 1.00 2.38 H new ATOM 0 HH22 ARG A 50 -12.220 -3.328 9.147 1.00 2.38 H new ATOM 810 N MET A 51 -3.310 -5.052 6.934 1.00 0.57 N ATOM 811 CA MET A 51 -2.534 -5.596 5.831 1.00 0.57 C ATOM 812 C MET A 51 -1.682 -6.764 6.304 1.00 0.52 C ATOM 813 O MET A 51 -1.621 -7.786 5.626 1.00 0.56 O ATOM 814 CB MET A 51 -1.619 -4.526 5.242 1.00 0.62 C ATOM 815 CG MET A 51 -0.996 -5.011 3.929 1.00 1.28 C ATOM 816 SD MET A 51 -1.555 -4.095 2.475 1.00 2.07 S ATOM 817 CE MET A 51 -3.279 -4.618 2.322 1.00 1.90 C ATOM 0 H MET A 51 -3.041 -4.107 7.208 1.00 0.57 H new ATOM 0 HA MET A 51 -3.233 -5.939 5.068 1.00 0.57 H new ATOM 0 HB2 MET A 51 -2.186 -3.612 5.066 1.00 0.62 H new ATOM 0 HB3 MET A 51 -0.832 -4.280 5.955 1.00 0.62 H new ATOM 0 HG2 MET A 51 0.089 -4.933 4.002 1.00 1.28 H new ATOM 0 HG3 MET A 51 -1.231 -6.067 3.794 1.00 1.28 H new ATOM 0 HE1 MET A 51 -3.831 -3.884 1.735 1.00 1.90 H new ATOM 0 HE2 MET A 51 -3.322 -5.587 1.825 1.00 1.90 H new ATOM 0 HE3 MET A 51 -3.724 -4.698 3.314 1.00 1.90 H new ATOM 827 N LYS A 52 -1.002 -6.615 7.444 1.00 0.48 N ATOM 828 CA LYS A 52 -0.142 -7.642 7.995 1.00 0.49 C ATOM 829 C LYS A 52 -0.953 -8.909 8.189 1.00 0.49 C ATOM 830 O LYS A 52 -0.466 -9.990 7.894 1.00 0.56 O ATOM 831 CB LYS A 52 0.509 -7.139 9.297 1.00 0.52 C ATOM 832 CG LYS A 52 1.917 -7.722 9.494 1.00 0.82 C ATOM 833 CD LYS A 52 1.870 -9.120 10.111 1.00 1.52 C ATOM 834 CE LYS A 52 3.219 -9.825 9.941 1.00 1.69 C ATOM 835 NZ LYS A 52 3.131 -11.269 10.252 1.00 2.76 N ATOM 0 H LYS A 52 -1.040 -5.766 8.009 1.00 0.48 H new ATOM 0 HA LYS A 52 0.674 -7.873 7.310 1.00 0.49 H new ATOM 0 HB2 LYS A 52 0.566 -6.051 9.278 1.00 0.52 H new ATOM 0 HB3 LYS A 52 -0.119 -7.411 10.146 1.00 0.52 H new ATOM 0 HG2 LYS A 52 2.430 -7.765 8.533 1.00 0.82 H new ATOM 0 HG3 LYS A 52 2.498 -7.060 10.136 1.00 0.82 H new ATOM 0 HD2 LYS A 52 1.621 -9.049 11.170 1.00 1.52 H new ATOM 0 HD3 LYS A 52 1.083 -9.707 9.637 1.00 1.52 H new ATOM 0 HE2 LYS A 52 3.570 -9.695 8.917 1.00 1.69 H new ATOM 0 HE3 LYS A 52 3.957 -9.358 10.593 1.00 1.69 H new ATOM 0 HZ1 LYS A 52 4.050 -11.605 10.604 1.00 2.76 H new ATOM 0 HZ2 LYS A 52 2.404 -11.424 10.979 1.00 2.76 H new ATOM 0 HZ3 LYS A 52 2.877 -11.795 9.391 1.00 2.76 H new ATOM 849 N THR A 53 -2.188 -8.798 8.663 1.00 0.46 N ATOM 850 CA THR A 53 -3.044 -9.944 8.877 1.00 0.48 C ATOM 851 C THR A 53 -3.504 -10.531 7.545 1.00 0.54 C ATOM 852 O THR A 53 -3.366 -11.731 7.327 1.00 0.60 O ATOM 853 CB THR A 53 -4.191 -9.512 9.798 1.00 0.50 C ATOM 854 OG1 THR A 53 -4.752 -8.275 9.412 1.00 0.55 O ATOM 855 CG2 THR A 53 -3.592 -9.292 11.184 1.00 0.47 C ATOM 0 H THR A 53 -2.619 -7.907 8.908 1.00 0.46 H new ATOM 0 HA THR A 53 -2.506 -10.754 9.370 1.00 0.48 H new ATOM 0 HB THR A 53 -4.964 -10.280 9.762 1.00 0.50 H new ATOM 0 HG1 THR A 53 -4.530 -8.094 8.475 1.00 0.55 H new ATOM 0 HG21 THR A 53 -4.376 -8.982 11.874 1.00 0.47 H new ATOM 0 HG22 THR A 53 -3.143 -10.220 11.538 1.00 0.47 H new ATOM 0 HG23 THR A 53 -2.828 -8.516 11.131 1.00 0.47 H new ATOM 863 N ILE A 54 -4.012 -9.696 6.634 1.00 0.57 N ATOM 864 CA ILE A 54 -4.561 -10.157 5.358 1.00 0.67 C ATOM 865 C ILE A 54 -3.488 -10.870 4.535 1.00 0.65 C ATOM 866 O ILE A 54 -3.783 -11.822 3.818 1.00 0.74 O ATOM 867 CB ILE A 54 -5.190 -8.961 4.611 1.00 0.78 C ATOM 868 CG1 ILE A 54 -6.540 -8.583 5.233 1.00 0.72 C ATOM 869 CG2 ILE A 54 -5.311 -9.168 3.095 1.00 1.14 C ATOM 870 CD1 ILE A 54 -7.659 -9.506 4.765 1.00 1.25 C ATOM 0 H ILE A 54 -4.054 -8.685 6.761 1.00 0.57 H new ATOM 0 HA ILE A 54 -5.348 -10.890 5.535 1.00 0.67 H new ATOM 0 HB ILE A 54 -4.497 -8.129 4.735 1.00 0.78 H new ATOM 0 HG12 ILE A 54 -6.464 -8.626 6.319 1.00 0.72 H new ATOM 0 HG13 ILE A 54 -6.785 -7.554 4.971 1.00 0.72 H new ATOM 0 HG21 ILE A 54 -5.762 -8.285 2.642 1.00 1.14 H new ATOM 0 HG22 ILE A 54 -4.320 -9.329 2.670 1.00 1.14 H new ATOM 0 HG23 ILE A 54 -5.937 -10.038 2.895 1.00 1.14 H new ATOM 0 HD11 ILE A 54 -8.598 -9.204 5.229 1.00 1.25 H new ATOM 0 HD12 ILE A 54 -7.753 -9.443 3.681 1.00 1.25 H new ATOM 0 HD13 ILE A 54 -7.427 -10.532 5.050 1.00 1.25 H new ATOM 882 N SER A 55 -2.242 -10.412 4.629 1.00 0.55 N ATOM 883 CA SER A 55 -1.141 -11.033 3.908 1.00 0.52 C ATOM 884 C SER A 55 -0.559 -12.171 4.715 1.00 0.55 C ATOM 885 O SER A 55 -0.090 -13.148 4.141 1.00 0.60 O ATOM 886 CB SER A 55 -0.044 -10.005 3.612 1.00 0.51 C ATOM 887 OG SER A 55 -0.601 -8.811 3.103 1.00 2.00 O ATOM 0 H SER A 55 -1.972 -9.611 5.200 1.00 0.55 H new ATOM 0 HA SER A 55 -1.529 -11.421 2.966 1.00 0.52 H new ATOM 0 HB2 SER A 55 0.516 -9.791 4.522 1.00 0.51 H new ATOM 0 HB3 SER A 55 0.663 -10.418 2.892 1.00 0.51 H new ATOM 0 HG SER A 55 -1.013 -8.304 3.834 1.00 2.00 H new ATOM 893 N THR A 56 -0.511 -11.996 6.035 1.00 0.55 N ATOM 894 CA THR A 56 0.212 -12.814 6.994 1.00 0.64 C ATOM 895 C THR A 56 1.740 -12.721 6.829 1.00 0.77 C ATOM 896 O THR A 56 2.455 -12.734 7.835 1.00 1.27 O ATOM 897 CB THR A 56 -0.398 -14.219 6.976 1.00 0.66 C ATOM 898 OG1 THR A 56 -1.694 -14.129 7.536 1.00 0.64 O ATOM 899 CG2 THR A 56 0.389 -15.230 7.811 1.00 0.86 C ATOM 0 H THR A 56 -1.009 -11.229 6.487 1.00 0.55 H new ATOM 0 HA THR A 56 0.086 -12.432 8.007 1.00 0.64 H new ATOM 0 HB THR A 56 -0.394 -14.566 5.943 1.00 0.66 H new ATOM 0 HG1 THR A 56 -2.076 -13.249 7.336 1.00 0.64 H new ATOM 0 HG21 THR A 56 -0.097 -16.204 7.755 1.00 0.86 H new ATOM 0 HG22 THR A 56 1.405 -15.308 7.425 1.00 0.86 H new ATOM 0 HG23 THR A 56 0.420 -14.899 8.849 1.00 0.86 H new ATOM 907 N ASP A 57 2.251 -12.566 5.605 1.00 0.47 N ATOM 908 CA ASP A 57 3.627 -12.733 5.206 1.00 0.46 C ATOM 909 C ASP A 57 3.982 -11.584 4.258 1.00 0.38 C ATOM 910 O ASP A 57 3.183 -11.172 3.412 1.00 0.36 O ATOM 911 CB ASP A 57 3.731 -14.092 4.501 1.00 0.55 C ATOM 912 CG ASP A 57 5.154 -14.448 4.085 1.00 0.60 C ATOM 913 OD1 ASP A 57 6.050 -13.602 4.305 1.00 1.60 O ATOM 914 OD2 ASP A 57 5.318 -15.541 3.507 1.00 1.61 O ATOM 0 H ASP A 57 1.659 -12.301 4.818 1.00 0.47 H new ATOM 0 HA ASP A 57 4.316 -12.712 6.050 1.00 0.46 H new ATOM 0 HB2 ASP A 57 3.349 -14.868 5.164 1.00 0.55 H new ATOM 0 HB3 ASP A 57 3.093 -14.085 3.618 1.00 0.55 H new ATOM 919 N LEU A 58 5.205 -11.085 4.398 1.00 0.39 N ATOM 920 CA LEU A 58 5.841 -10.066 3.570 1.00 0.41 C ATOM 921 C LEU A 58 5.947 -10.511 2.109 1.00 0.37 C ATOM 922 O LEU A 58 6.059 -9.685 1.213 1.00 0.43 O ATOM 923 CB LEU A 58 7.240 -9.767 4.127 1.00 0.54 C ATOM 924 CG LEU A 58 7.196 -9.092 5.509 1.00 0.65 C ATOM 925 CD1 LEU A 58 8.412 -9.505 6.339 1.00 1.34 C ATOM 926 CD2 LEU A 58 7.175 -7.569 5.365 1.00 0.98 C ATOM 0 H LEU A 58 5.822 -11.404 5.145 1.00 0.39 H new ATOM 0 HA LEU A 58 5.225 -9.167 3.597 1.00 0.41 H new ATOM 0 HB2 LEU A 58 7.804 -10.697 4.199 1.00 0.54 H new ATOM 0 HB3 LEU A 58 7.775 -9.123 3.429 1.00 0.54 H new ATOM 0 HG LEU A 58 6.285 -9.414 6.014 1.00 0.65 H new ATOM 0 HD11 LEU A 58 8.368 -9.020 7.314 1.00 1.34 H new ATOM 0 HD12 LEU A 58 8.412 -10.587 6.471 1.00 1.34 H new ATOM 0 HD13 LEU A 58 9.324 -9.203 5.824 1.00 1.34 H new ATOM 0 HD21 LEU A 58 7.144 -7.110 6.353 1.00 0.98 H new ATOM 0 HD22 LEU A 58 8.072 -7.241 4.841 1.00 0.98 H new ATOM 0 HD23 LEU A 58 6.294 -7.269 4.798 1.00 0.98 H new ATOM 938 N GLN A 59 5.896 -11.812 1.861 1.00 0.37 N ATOM 939 CA GLN A 59 5.865 -12.424 0.549 1.00 0.46 C ATOM 940 C GLN A 59 4.592 -11.991 -0.166 1.00 0.39 C ATOM 941 O GLN A 59 4.629 -11.564 -1.315 1.00 0.49 O ATOM 942 CB GLN A 59 5.890 -13.945 0.734 1.00 0.64 C ATOM 943 CG GLN A 59 5.984 -14.723 -0.585 1.00 0.84 C ATOM 944 CD GLN A 59 7.352 -14.579 -1.245 1.00 1.19 C ATOM 945 OE1 GLN A 59 8.377 -14.895 -0.657 1.00 2.00 O ATOM 946 NE2 GLN A 59 7.406 -14.111 -2.484 1.00 2.26 N ATOM 0 H GLN A 59 5.874 -12.502 2.612 1.00 0.37 H new ATOM 0 HA GLN A 59 6.723 -12.117 -0.050 1.00 0.46 H new ATOM 0 HB2 GLN A 59 6.738 -14.212 1.365 1.00 0.64 H new ATOM 0 HB3 GLN A 59 4.989 -14.253 1.264 1.00 0.64 H new ATOM 0 HG2 GLN A 59 5.783 -15.778 -0.397 1.00 0.84 H new ATOM 0 HG3 GLN A 59 5.213 -14.368 -1.269 1.00 0.84 H new ATOM 0 HE21 GLN A 59 6.547 -13.849 -2.968 1.00 2.26 H new ATOM 0 HE22 GLN A 59 8.306 -14.012 -2.953 1.00 2.26 H new ATOM 955 N LEU A 60 3.449 -12.113 0.510 1.00 0.38 N ATOM 956 CA LEU A 60 2.164 -11.751 -0.054 1.00 0.41 C ATOM 957 C LEU A 60 2.017 -10.237 -0.095 1.00 0.35 C ATOM 958 O LEU A 60 1.388 -9.720 -1.011 1.00 0.36 O ATOM 959 CB LEU A 60 1.047 -12.426 0.753 1.00 0.50 C ATOM 960 CG LEU A 60 0.511 -13.671 0.031 1.00 0.62 C ATOM 961 CD1 LEU A 60 1.613 -14.711 -0.202 1.00 2.41 C ATOM 962 CD2 LEU A 60 -0.601 -14.320 0.856 1.00 2.50 C ATOM 0 H LEU A 60 3.396 -12.467 1.465 1.00 0.38 H new ATOM 0 HA LEU A 60 2.092 -12.105 -1.083 1.00 0.41 H new ATOM 0 HB2 LEU A 60 1.425 -12.707 1.736 1.00 0.50 H new ATOM 0 HB3 LEU A 60 0.234 -11.718 0.915 1.00 0.50 H new ATOM 0 HG LEU A 60 0.127 -13.342 -0.935 1.00 0.62 H new ATOM 0 HD11 LEU A 60 1.194 -15.577 -0.715 1.00 2.41 H new ATOM 0 HD12 LEU A 60 2.402 -14.274 -0.813 1.00 2.41 H new ATOM 0 HD13 LEU A 60 2.027 -15.023 0.757 1.00 2.41 H new ATOM 0 HD21 LEU A 60 -0.974 -15.202 0.335 1.00 2.50 H new ATOM 0 HD22 LEU A 60 -0.208 -14.613 1.829 1.00 2.50 H new ATOM 0 HD23 LEU A 60 -1.415 -13.608 0.993 1.00 2.50 H new ATOM 974 N ILE A 61 2.608 -9.508 0.854 1.00 0.32 N ATOM 975 CA ILE A 61 2.544 -8.050 0.802 1.00 0.33 C ATOM 976 C ILE A 61 3.332 -7.556 -0.409 1.00 0.27 C ATOM 977 O ILE A 61 2.888 -6.682 -1.154 1.00 0.28 O ATOM 978 CB ILE A 61 3.003 -7.432 2.146 1.00 0.44 C ATOM 979 CG1 ILE A 61 1.992 -6.376 2.611 1.00 0.71 C ATOM 980 CG2 ILE A 61 4.411 -6.810 2.162 1.00 0.59 C ATOM 981 CD1 ILE A 61 2.091 -5.066 1.826 1.00 1.13 C ATOM 0 H ILE A 61 3.123 -9.892 1.647 1.00 0.32 H new ATOM 0 HA ILE A 61 1.514 -7.718 0.669 1.00 0.33 H new ATOM 0 HB ILE A 61 3.053 -8.283 2.826 1.00 0.44 H new ATOM 0 HG12 ILE A 61 0.984 -6.778 2.511 1.00 0.71 H new ATOM 0 HG13 ILE A 61 2.150 -6.171 3.670 1.00 0.71 H new ATOM 0 HG21 ILE A 61 4.621 -6.410 3.154 1.00 0.59 H new ATOM 0 HG22 ILE A 61 5.149 -7.573 1.915 1.00 0.59 H new ATOM 0 HG23 ILE A 61 4.462 -6.005 1.428 1.00 0.59 H new ATOM 0 HD11 ILE A 61 1.351 -4.360 2.202 1.00 1.13 H new ATOM 0 HD12 ILE A 61 3.089 -4.644 1.947 1.00 1.13 H new ATOM 0 HD13 ILE A 61 1.904 -5.260 0.770 1.00 1.13 H new ATOM 993 N THR A 62 4.521 -8.117 -0.621 1.00 0.28 N ATOM 994 CA THR A 62 5.383 -7.608 -1.673 1.00 0.31 C ATOM 995 C THR A 62 4.816 -8.043 -3.015 1.00 0.32 C ATOM 996 O THR A 62 4.804 -7.257 -3.954 1.00 0.36 O ATOM 997 CB THR A 62 6.859 -7.969 -1.433 1.00 0.39 C ATOM 998 OG1 THR A 62 7.691 -7.069 -2.134 1.00 1.91 O ATOM 999 CG2 THR A 62 7.247 -9.385 -1.854 1.00 1.79 C ATOM 0 H THR A 62 4.898 -8.903 -0.091 1.00 0.28 H new ATOM 0 HA THR A 62 5.392 -6.518 -1.670 1.00 0.31 H new ATOM 0 HB THR A 62 6.994 -7.905 -0.353 1.00 0.39 H new ATOM 0 HG1 THR A 62 8.630 -7.302 -1.977 1.00 1.91 H new ATOM 0 HG21 THR A 62 8.305 -9.549 -1.647 1.00 1.79 H new ATOM 0 HG22 THR A 62 6.652 -10.107 -1.295 1.00 1.79 H new ATOM 0 HG23 THR A 62 7.062 -9.511 -2.921 1.00 1.79 H new ATOM 1007 N GLU A 63 4.258 -9.253 -3.096 1.00 0.33 N ATOM 1008 CA GLU A 63 3.553 -9.711 -4.281 1.00 0.43 C ATOM 1009 C GLU A 63 2.418 -8.755 -4.614 1.00 0.31 C ATOM 1010 O GLU A 63 2.261 -8.367 -5.770 1.00 0.33 O ATOM 1011 CB GLU A 63 3.034 -11.142 -4.058 1.00 0.71 C ATOM 1012 CG GLU A 63 2.182 -11.643 -5.231 1.00 1.14 C ATOM 1013 CD GLU A 63 1.527 -12.994 -4.933 1.00 1.77 C ATOM 1014 OE1 GLU A 63 0.428 -12.999 -4.327 1.00 2.93 O ATOM 1015 OE2 GLU A 63 2.084 -14.032 -5.347 1.00 2.01 O ATOM 0 H GLU A 63 4.286 -9.937 -2.340 1.00 0.33 H new ATOM 0 HA GLU A 63 4.237 -9.727 -5.129 1.00 0.43 H new ATOM 0 HB2 GLU A 63 3.880 -11.814 -3.913 1.00 0.71 H new ATOM 0 HB3 GLU A 63 2.442 -11.173 -3.143 1.00 0.71 H new ATOM 0 HG2 GLU A 63 1.409 -10.908 -5.457 1.00 1.14 H new ATOM 0 HG3 GLU A 63 2.807 -11.732 -6.120 1.00 1.14 H new ATOM 1022 N ALA A 64 1.633 -8.377 -3.606 1.00 0.28 N ATOM 1023 CA ALA A 64 0.472 -7.525 -3.820 1.00 0.32 C ATOM 1024 C ALA A 64 0.891 -6.223 -4.499 1.00 0.32 C ATOM 1025 O ALA A 64 0.261 -5.767 -5.450 1.00 0.35 O ATOM 1026 CB ALA A 64 -0.206 -7.240 -2.481 1.00 0.39 C ATOM 0 H ALA A 64 1.783 -8.649 -2.634 1.00 0.28 H new ATOM 0 HA ALA A 64 -0.236 -8.037 -4.472 1.00 0.32 H new ATOM 0 HB1 ALA A 64 -1.075 -6.602 -2.642 1.00 0.39 H new ATOM 0 HB2 ALA A 64 -0.524 -8.179 -2.027 1.00 0.39 H new ATOM 0 HB3 ALA A 64 0.497 -6.736 -1.818 1.00 0.39 H new ATOM 1032 N LEU A 65 1.971 -5.614 -4.013 1.00 0.32 N ATOM 1033 CA LEU A 65 2.442 -4.349 -4.546 1.00 0.33 C ATOM 1034 C LEU A 65 3.042 -4.558 -5.933 1.00 0.40 C ATOM 1035 O LEU A 65 2.801 -3.771 -6.847 1.00 0.47 O ATOM 1036 CB LEU A 65 3.467 -3.746 -3.580 1.00 0.30 C ATOM 1037 CG LEU A 65 2.821 -3.161 -2.315 1.00 0.31 C ATOM 1038 CD1 LEU A 65 3.917 -2.801 -1.311 1.00 0.42 C ATOM 1039 CD2 LEU A 65 2.031 -1.886 -2.629 1.00 0.31 C ATOM 0 H LEU A 65 2.535 -5.983 -3.247 1.00 0.32 H new ATOM 0 HA LEU A 65 1.608 -3.654 -4.646 1.00 0.33 H new ATOM 0 HB2 LEU A 65 4.185 -4.514 -3.294 1.00 0.30 H new ATOM 0 HB3 LEU A 65 4.026 -2.963 -4.093 1.00 0.30 H new ATOM 0 HG LEU A 65 2.142 -3.911 -1.909 1.00 0.31 H new ATOM 0 HD11 LEU A 65 3.464 -2.385 -0.411 1.00 0.42 H new ATOM 0 HD12 LEU A 65 4.482 -3.697 -1.052 1.00 0.42 H new ATOM 0 HD13 LEU A 65 4.588 -2.064 -1.753 1.00 0.42 H new ATOM 0 HD21 LEU A 65 1.587 -1.498 -1.712 1.00 0.31 H new ATOM 0 HD22 LEU A 65 2.701 -1.138 -3.052 1.00 0.31 H new ATOM 0 HD23 LEU A 65 1.242 -2.114 -3.346 1.00 0.31 H new ATOM 1051 N LYS A 66 3.812 -5.627 -6.114 1.00 0.40 N ATOM 1052 CA LYS A 66 4.461 -5.937 -7.383 1.00 0.52 C ATOM 1053 C LYS A 66 3.409 -6.161 -8.463 1.00 0.57 C ATOM 1054 O LYS A 66 3.679 -5.932 -9.640 1.00 0.68 O ATOM 1055 CB LYS A 66 5.411 -7.128 -7.190 1.00 0.58 C ATOM 1056 CG LYS A 66 6.615 -7.151 -8.153 1.00 0.97 C ATOM 1057 CD LYS A 66 6.586 -8.295 -9.178 1.00 1.23 C ATOM 1058 CE LYS A 66 6.032 -7.846 -10.533 1.00 2.24 C ATOM 1059 NZ LYS A 66 7.045 -7.125 -11.335 1.00 3.14 N ATOM 0 H LYS A 66 4.004 -6.307 -5.379 1.00 0.40 H new ATOM 0 HA LYS A 66 5.070 -5.099 -7.722 1.00 0.52 H new ATOM 0 HB2 LYS A 66 5.782 -7.117 -6.165 1.00 0.58 H new ATOM 0 HB3 LYS A 66 4.845 -8.051 -7.315 1.00 0.58 H new ATOM 0 HG2 LYS A 66 6.656 -6.202 -8.687 1.00 0.97 H new ATOM 0 HG3 LYS A 66 7.531 -7.227 -7.568 1.00 0.97 H new ATOM 0 HD2 LYS A 66 7.595 -8.686 -9.312 1.00 1.23 H new ATOM 0 HD3 LYS A 66 5.976 -9.111 -8.791 1.00 1.23 H new ATOM 0 HE2 LYS A 66 5.683 -8.717 -11.088 1.00 2.24 H new ATOM 0 HE3 LYS A 66 5.168 -7.201 -10.375 1.00 2.24 H new ATOM 0 HZ1 LYS A 66 6.629 -6.839 -12.244 1.00 3.14 H new ATOM 0 HZ2 LYS A 66 7.360 -6.280 -10.817 1.00 3.14 H new ATOM 0 HZ3 LYS A 66 7.859 -7.749 -11.508 1.00 3.14 H new ATOM 1073 N LYS A 67 2.216 -6.610 -8.073 1.00 0.54 N ATOM 1074 CA LYS A 67 1.083 -6.821 -8.952 1.00 0.57 C ATOM 1075 C LYS A 67 -0.009 -5.784 -8.662 1.00 0.55 C ATOM 1076 O LYS A 67 -1.177 -6.150 -8.598 1.00 0.68 O ATOM 1077 CB LYS A 67 0.625 -8.275 -8.744 1.00 0.68 C ATOM 1078 CG LYS A 67 -0.136 -8.835 -9.951 1.00 1.14 C ATOM 1079 CD LYS A 67 -0.446 -10.330 -9.780 1.00 1.15 C ATOM 1080 CE LYS A 67 0.840 -11.167 -9.718 1.00 1.61 C ATOM 1081 NZ LYS A 67 0.565 -12.621 -9.670 1.00 1.76 N ATOM 0 H LYS A 67 2.013 -6.843 -7.101 1.00 0.54 H new ATOM 0 HA LYS A 67 1.340 -6.682 -10.002 1.00 0.57 H new ATOM 0 HB2 LYS A 67 1.495 -8.901 -8.546 1.00 0.68 H new ATOM 0 HB3 LYS A 67 -0.013 -8.328 -7.862 1.00 0.68 H new ATOM 0 HG2 LYS A 67 -1.066 -8.283 -10.083 1.00 1.14 H new ATOM 0 HG3 LYS A 67 0.454 -8.686 -10.855 1.00 1.14 H new ATOM 0 HD2 LYS A 67 -1.024 -10.481 -8.868 1.00 1.15 H new ATOM 0 HD3 LYS A 67 -1.064 -10.672 -10.610 1.00 1.15 H new ATOM 0 HE2 LYS A 67 1.457 -10.945 -10.589 1.00 1.61 H new ATOM 0 HE3 LYS A 67 1.415 -10.880 -8.838 1.00 1.61 H new ATOM 0 HZ1 LYS A 67 1.464 -13.143 -9.629 1.00 1.76 H new ATOM 0 HZ2 LYS A 67 -0.001 -12.840 -8.825 1.00 1.76 H new ATOM 0 HZ3 LYS A 67 0.039 -12.903 -10.522 1.00 1.76 H new ATOM 1095 N SER A 68 0.347 -4.506 -8.456 1.00 0.52 N ATOM 1096 CA SER A 68 -0.642 -3.493 -8.122 1.00 0.53 C ATOM 1097 C SER A 68 -1.634 -3.226 -9.260 1.00 0.56 C ATOM 1098 O SER A 68 -1.457 -3.672 -10.390 1.00 0.67 O ATOM 1099 CB SER A 68 0.023 -2.189 -7.678 1.00 0.55 C ATOM 1100 OG SER A 68 0.455 -2.260 -6.345 1.00 1.74 O ATOM 0 H SER A 68 1.305 -4.161 -8.516 1.00 0.52 H new ATOM 0 HA SER A 68 -1.215 -3.897 -7.287 1.00 0.53 H new ATOM 0 HB2 SER A 68 0.873 -1.974 -8.326 1.00 0.55 H new ATOM 0 HB3 SER A 68 -0.681 -1.364 -7.790 1.00 0.55 H new ATOM 0 HG SER A 68 1.364 -2.625 -6.315 1.00 1.74 H new ATOM 1106 N THR A 69 -2.687 -2.479 -8.914 1.00 0.68 N ATOM 1107 CA THR A 69 -3.852 -2.177 -9.733 1.00 0.66 C ATOM 1108 C THR A 69 -3.765 -0.714 -10.171 1.00 0.92 C ATOM 1109 O THR A 69 -2.995 -0.368 -11.063 1.00 1.40 O ATOM 1110 CB THR A 69 -5.145 -2.548 -8.964 1.00 0.81 C ATOM 1111 OG1 THR A 69 -6.252 -1.929 -9.561 1.00 1.12 O ATOM 1112 CG2 THR A 69 -5.245 -2.150 -7.473 1.00 1.07 C ATOM 0 H THR A 69 -2.746 -2.044 -7.993 1.00 0.68 H new ATOM 0 HA THR A 69 -3.879 -2.777 -10.643 1.00 0.66 H new ATOM 0 HB THR A 69 -5.122 -3.637 -9.013 1.00 0.81 H new ATOM 0 HG1 THR A 69 -6.323 -2.216 -10.495 1.00 1.12 H new ATOM 0 HG21 THR A 69 -6.205 -2.476 -7.073 1.00 1.07 H new ATOM 0 HG22 THR A 69 -4.439 -2.625 -6.915 1.00 1.07 H new ATOM 0 HG23 THR A 69 -5.162 -1.067 -7.379 1.00 1.07 H new ATOM 1120 N ARG A 70 -4.463 0.190 -9.483 1.00 0.97 N ATOM 1121 CA ARG A 70 -4.423 1.621 -9.772 1.00 1.21 C ATOM 1122 C ARG A 70 -3.202 2.268 -9.111 1.00 0.94 C ATOM 1123 O ARG A 70 -3.148 3.488 -8.947 1.00 0.84 O ATOM 1124 CB ARG A 70 -5.750 2.257 -9.309 1.00 1.60 C ATOM 1125 CG ARG A 70 -6.658 2.556 -10.506 1.00 2.38 C ATOM 1126 CD ARG A 70 -7.035 1.302 -11.306 1.00 3.22 C ATOM 1127 NE ARG A 70 -7.571 1.665 -12.624 1.00 4.16 N ATOM 1128 CZ ARG A 70 -8.067 0.790 -13.509 1.00 5.14 C ATOM 1129 NH1 ARG A 70 -8.037 -0.510 -13.257 1.00 5.81 N ATOM 1130 NH2 ARG A 70 -8.590 1.220 -14.658 1.00 6.09 N ATOM 0 H ARG A 70 -5.076 -0.053 -8.705 1.00 0.97 H new ATOM 0 HA ARG A 70 -4.319 1.788 -10.844 1.00 1.21 H new ATOM 0 HB2 ARG A 70 -6.260 1.584 -8.620 1.00 1.60 H new ATOM 0 HB3 ARG A 70 -5.546 3.178 -8.763 1.00 1.60 H new ATOM 0 HG2 ARG A 70 -7.568 3.040 -10.152 1.00 2.38 H new ATOM 0 HG3 ARG A 70 -6.157 3.264 -11.166 1.00 2.38 H new ATOM 0 HD2 ARG A 70 -6.158 0.666 -11.428 1.00 3.22 H new ATOM 0 HD3 ARG A 70 -7.775 0.722 -10.755 1.00 3.22 H new ATOM 0 HE ARG A 70 -7.565 2.651 -12.884 1.00 4.16 H new ATOM 0 HH11 ARG A 70 -7.634 -0.851 -12.384 1.00 5.81 H new ATOM 0 HH12 ARG A 70 -8.417 -1.170 -13.936 1.00 5.81 H new ATOM 0 HH21 ARG A 70 -8.613 2.218 -14.866 1.00 6.09 H new ATOM 0 HH22 ARG A 70 -8.967 0.551 -15.329 1.00 6.09 H new ATOM 1144 N LEU A 71 -2.201 1.465 -8.740 1.00 0.93 N ATOM 1145 CA LEU A 71 -0.955 1.949 -8.227 1.00 0.80 C ATOM 1146 C LEU A 71 0.161 1.151 -8.882 1.00 0.68 C ATOM 1147 O LEU A 71 -0.081 0.088 -9.447 1.00 0.70 O ATOM 1148 CB LEU A 71 -0.912 1.860 -6.695 1.00 0.72 C ATOM 1149 CG LEU A 71 -1.964 1.053 -5.920 1.00 1.13 C ATOM 1150 CD1 LEU A 71 -1.480 1.077 -4.467 1.00 1.29 C ATOM 1151 CD2 LEU A 71 -3.365 1.678 -5.999 1.00 1.74 C ATOM 0 H LEU A 71 -2.253 0.448 -8.796 1.00 0.93 H new ATOM 0 HA LEU A 71 -0.831 3.005 -8.466 1.00 0.80 H new ATOM 0 HB2 LEU A 71 0.063 1.455 -6.426 1.00 0.72 H new ATOM 0 HB3 LEU A 71 -0.949 2.881 -6.315 1.00 0.72 H new ATOM 0 HG LEU A 71 -2.058 0.050 -6.335 1.00 1.13 H new ATOM 0 HD11 LEU A 71 -2.178 0.520 -3.842 1.00 1.29 H new ATOM 0 HD12 LEU A 71 -0.493 0.619 -4.405 1.00 1.29 H new ATOM 0 HD13 LEU A 71 -1.424 2.108 -4.119 1.00 1.29 H new ATOM 0 HD21 LEU A 71 -4.069 1.067 -5.434 1.00 1.74 H new ATOM 0 HD22 LEU A 71 -3.339 2.683 -5.579 1.00 1.74 H new ATOM 0 HD23 LEU A 71 -3.683 1.728 -7.040 1.00 1.74 H new ATOM 1163 N GLN A 72 1.385 1.660 -8.805 1.00 0.64 N ATOM 1164 CA GLN A 72 2.559 1.019 -9.361 1.00 0.62 C ATOM 1165 C GLN A 72 3.664 1.127 -8.324 1.00 0.47 C ATOM 1166 O GLN A 72 3.959 2.221 -7.840 1.00 0.43 O ATOM 1167 CB GLN A 72 2.965 1.706 -10.669 1.00 0.83 C ATOM 1168 CG GLN A 72 2.038 1.295 -11.819 1.00 1.15 C ATOM 1169 CD GLN A 72 2.317 2.101 -13.082 1.00 2.09 C ATOM 1170 OE1 GLN A 72 3.434 2.542 -13.321 1.00 3.07 O ATOM 1171 NE2 GLN A 72 1.303 2.321 -13.909 1.00 2.84 N ATOM 0 H GLN A 72 1.588 2.547 -8.344 1.00 0.64 H new ATOM 0 HA GLN A 72 2.361 -0.028 -9.592 1.00 0.62 H new ATOM 0 HB2 GLN A 72 2.932 2.788 -10.540 1.00 0.83 H new ATOM 0 HB3 GLN A 72 3.994 1.445 -10.916 1.00 0.83 H new ATOM 0 HG2 GLN A 72 2.167 0.233 -12.029 1.00 1.15 H new ATOM 0 HG3 GLN A 72 1.000 1.437 -11.518 1.00 1.15 H new ATOM 0 HE21 GLN A 72 0.379 1.946 -13.694 1.00 2.84 H new ATOM 0 HE22 GLN A 72 1.447 2.865 -14.760 1.00 2.84 H new ATOM 1180 N VAL A 73 4.260 -0.010 -7.977 1.00 0.44 N ATOM 1181 CA VAL A 73 5.389 -0.076 -7.071 1.00 0.39 C ATOM 1182 C VAL A 73 6.658 0.017 -7.911 1.00 0.46 C ATOM 1183 O VAL A 73 6.709 -0.481 -9.035 1.00 0.56 O ATOM 1184 CB VAL A 73 5.314 -1.366 -6.230 1.00 0.44 C ATOM 1185 CG1 VAL A 73 5.664 -2.624 -7.027 1.00 0.70 C ATOM 1186 CG2 VAL A 73 6.222 -1.323 -4.997 1.00 0.95 C ATOM 0 H VAL A 73 3.964 -0.922 -8.326 1.00 0.44 H new ATOM 0 HA VAL A 73 5.384 0.749 -6.359 1.00 0.39 H new ATOM 0 HB VAL A 73 4.271 -1.417 -5.917 1.00 0.44 H new ATOM 0 HG11 VAL A 73 5.593 -3.497 -6.379 1.00 0.70 H new ATOM 0 HG12 VAL A 73 4.969 -2.732 -7.860 1.00 0.70 H new ATOM 0 HG13 VAL A 73 6.680 -2.540 -7.412 1.00 0.70 H new ATOM 0 HG21 VAL A 73 6.128 -2.257 -4.443 1.00 0.95 H new ATOM 0 HG22 VAL A 73 7.257 -1.190 -5.312 1.00 0.95 H new ATOM 0 HG23 VAL A 73 5.928 -0.491 -4.357 1.00 0.95 H new ATOM 1196 N SER A 74 7.679 0.668 -7.366 1.00 0.46 N ATOM 1197 CA SER A 74 9.031 0.581 -7.878 1.00 0.63 C ATOM 1198 C SER A 74 9.501 -0.867 -7.842 1.00 0.88 C ATOM 1199 O SER A 74 9.038 -1.665 -7.031 1.00 1.01 O ATOM 1200 CB SER A 74 9.942 1.475 -7.034 1.00 1.14 C ATOM 1201 OG SER A 74 11.281 1.403 -7.481 1.00 1.87 O ATOM 0 H SER A 74 7.586 1.274 -6.551 1.00 0.46 H new ATOM 0 HA SER A 74 9.064 0.923 -8.913 1.00 0.63 H new ATOM 0 HB2 SER A 74 9.593 2.506 -7.085 1.00 1.14 H new ATOM 0 HB3 SER A 74 9.887 1.171 -5.989 1.00 1.14 H new ATOM 0 HG SER A 74 11.843 1.984 -6.927 1.00 1.87 H new ATOM 1207 N GLU A 75 10.488 -1.180 -8.676 1.00 1.20 N ATOM 1208 CA GLU A 75 11.173 -2.461 -8.671 1.00 1.74 C ATOM 1209 C GLU A 75 11.860 -2.710 -7.326 1.00 1.42 C ATOM 1210 O GLU A 75 12.123 -3.861 -6.989 1.00 1.74 O ATOM 1211 CB GLU A 75 12.174 -2.480 -9.831 1.00 2.34 C ATOM 1212 CG GLU A 75 11.430 -2.529 -11.173 1.00 2.89 C ATOM 1213 CD GLU A 75 12.310 -2.037 -12.318 1.00 3.11 C ATOM 1214 OE1 GLU A 75 12.462 -0.798 -12.412 1.00 3.14 O ATOM 1215 OE2 GLU A 75 12.802 -2.897 -13.080 1.00 3.79 O ATOM 0 H GLU A 75 10.838 -0.536 -9.386 1.00 1.20 H new ATOM 0 HA GLU A 75 10.453 -3.268 -8.806 1.00 1.74 H new ATOM 0 HB2 GLU A 75 12.806 -1.593 -9.790 1.00 2.34 H new ATOM 0 HB3 GLU A 75 12.831 -3.345 -9.740 1.00 2.34 H new ATOM 0 HG2 GLU A 75 11.107 -3.550 -11.374 1.00 2.89 H new ATOM 0 HG3 GLU A 75 10.531 -1.916 -11.114 1.00 2.89 H new ATOM 1222 N ASP A 76 12.130 -1.667 -6.529 1.00 0.97 N ATOM 1223 CA ASP A 76 12.729 -1.877 -5.213 1.00 0.84 C ATOM 1224 C ASP A 76 11.708 -2.495 -4.250 1.00 0.72 C ATOM 1225 O ASP A 76 12.060 -3.116 -3.246 1.00 0.79 O ATOM 1226 CB ASP A 76 13.264 -0.551 -4.656 1.00 0.91 C ATOM 1227 CG ASP A 76 14.608 -0.761 -3.968 1.00 1.54 C ATOM 1228 OD1 ASP A 76 14.653 -1.554 -3.001 1.00 2.53 O ATOM 1229 OD2 ASP A 76 15.592 -0.139 -4.416 1.00 2.26 O ATOM 0 H ASP A 76 11.947 -0.693 -6.769 1.00 0.97 H new ATOM 0 HA ASP A 76 13.563 -2.571 -5.317 1.00 0.84 H new ATOM 0 HB2 ASP A 76 13.372 0.172 -5.465 1.00 0.91 H new ATOM 0 HB3 ASP A 76 12.548 -0.133 -3.948 1.00 0.91 H new ATOM 1234 N GLY A 77 10.417 -2.279 -4.525 1.00 0.60 N ATOM 1235 CA GLY A 77 9.334 -2.678 -3.640 1.00 0.51 C ATOM 1236 C GLY A 77 9.152 -1.729 -2.457 1.00 0.56 C ATOM 1237 O GLY A 77 8.214 -1.900 -1.685 1.00 1.24 O ATOM 0 H GLY A 77 10.099 -1.818 -5.377 1.00 0.60 H new ATOM 0 HA2 GLY A 77 8.405 -2.724 -4.209 1.00 0.51 H new ATOM 0 HA3 GLY A 77 9.529 -3.683 -3.266 1.00 0.51 H new ATOM 1241 N LYS A 78 10.022 -0.723 -2.290 1.00 0.39 N ATOM 1242 CA LYS A 78 9.969 0.162 -1.126 1.00 0.37 C ATOM 1243 C LYS A 78 9.099 1.376 -1.388 1.00 0.30 C ATOM 1244 O LYS A 78 8.842 2.119 -0.453 1.00 0.40 O ATOM 1245 CB LYS A 78 11.364 0.628 -0.671 1.00 0.50 C ATOM 1246 CG LYS A 78 12.085 -0.409 0.198 1.00 0.86 C ATOM 1247 CD LYS A 78 12.347 -1.657 -0.633 1.00 1.52 C ATOM 1248 CE LYS A 78 13.366 -2.608 -0.018 1.00 1.98 C ATOM 1249 NZ LYS A 78 13.911 -3.474 -1.080 1.00 3.37 N ATOM 0 H LYS A 78 10.770 -0.505 -2.949 1.00 0.39 H new ATOM 0 HA LYS A 78 9.530 -0.432 -0.324 1.00 0.37 H new ATOM 0 HB2 LYS A 78 11.973 0.846 -1.548 1.00 0.50 H new ATOM 0 HB3 LYS A 78 11.266 1.559 -0.112 1.00 0.50 H new ATOM 0 HG2 LYS A 78 13.025 -0.000 0.570 1.00 0.86 H new ATOM 0 HG3 LYS A 78 11.478 -0.657 1.069 1.00 0.86 H new ATOM 0 HD2 LYS A 78 11.407 -2.190 -0.775 1.00 1.52 H new ATOM 0 HD3 LYS A 78 12.696 -1.357 -1.621 1.00 1.52 H new ATOM 0 HE2 LYS A 78 14.168 -2.045 0.458 1.00 1.98 H new ATOM 0 HE3 LYS A 78 12.897 -3.213 0.758 1.00 1.98 H new ATOM 0 HZ1 LYS A 78 14.517 -4.204 -0.655 1.00 3.37 H new ATOM 0 HZ2 LYS A 78 13.129 -3.929 -1.593 1.00 3.37 H new ATOM 0 HZ3 LYS A 78 14.472 -2.900 -1.742 1.00 3.37 H new ATOM 1263 N MET A 79 8.646 1.620 -2.615 1.00 0.27 N ATOM 1264 CA MET A 79 7.771 2.758 -2.831 1.00 0.26 C ATOM 1265 C MET A 79 6.703 2.387 -3.829 1.00 0.28 C ATOM 1266 O MET A 79 6.961 1.599 -4.730 1.00 0.33 O ATOM 1267 CB MET A 79 8.573 3.963 -3.339 1.00 0.35 C ATOM 1268 CG MET A 79 9.398 4.633 -2.235 1.00 1.52 C ATOM 1269 SD MET A 79 11.069 3.990 -1.956 1.00 2.25 S ATOM 1270 CE MET A 79 11.916 4.689 -3.394 1.00 2.70 C ATOM 0 H MET A 79 8.862 1.066 -3.444 1.00 0.27 H new ATOM 0 HA MET A 79 7.303 3.032 -1.885 1.00 0.26 H new ATOM 0 HB2 MET A 79 9.239 3.640 -4.139 1.00 0.35 H new ATOM 0 HB3 MET A 79 7.889 4.694 -3.770 1.00 0.35 H new ATOM 0 HG2 MET A 79 9.478 5.695 -2.468 1.00 1.52 H new ATOM 0 HG3 MET A 79 8.843 4.552 -1.300 1.00 1.52 H new ATOM 0 HE1 MET A 79 12.985 4.753 -3.191 1.00 2.70 H new ATOM 0 HE2 MET A 79 11.749 4.050 -4.261 1.00 2.70 H new ATOM 0 HE3 MET A 79 11.525 5.686 -3.598 1.00 2.70 H new ATOM 1280 N VAL A 80 5.519 2.971 -3.686 1.00 0.30 N ATOM 1281 CA VAL A 80 4.406 2.758 -4.582 1.00 0.30 C ATOM 1282 C VAL A 80 3.683 4.087 -4.718 1.00 0.30 C ATOM 1283 O VAL A 80 3.668 4.888 -3.786 1.00 0.34 O ATOM 1284 CB VAL A 80 3.517 1.614 -4.058 1.00 0.39 C ATOM 1285 CG1 VAL A 80 3.210 1.758 -2.566 1.00 1.20 C ATOM 1286 CG2 VAL A 80 2.195 1.497 -4.822 1.00 1.37 C ATOM 0 H VAL A 80 5.309 3.618 -2.926 1.00 0.30 H new ATOM 0 HA VAL A 80 4.728 2.439 -5.574 1.00 0.30 H new ATOM 0 HB VAL A 80 4.098 0.706 -4.221 1.00 0.39 H new ATOM 0 HG11 VAL A 80 2.581 0.929 -2.242 1.00 1.20 H new ATOM 0 HG12 VAL A 80 4.142 1.749 -2.000 1.00 1.20 H new ATOM 0 HG13 VAL A 80 2.689 2.699 -2.391 1.00 1.20 H new ATOM 0 HG21 VAL A 80 1.609 0.675 -4.411 1.00 1.37 H new ATOM 0 HG22 VAL A 80 1.635 2.427 -4.724 1.00 1.37 H new ATOM 0 HG23 VAL A 80 2.399 1.305 -5.875 1.00 1.37 H new ATOM 1296 N ARG A 81 3.084 4.307 -5.885 1.00 0.33 N ATOM 1297 CA ARG A 81 2.355 5.533 -6.184 1.00 0.37 C ATOM 1298 C ARG A 81 0.967 5.155 -6.649 1.00 0.43 C ATOM 1299 O ARG A 81 0.821 4.093 -7.247 1.00 0.48 O ATOM 1300 CB ARG A 81 3.090 6.337 -7.263 1.00 0.45 C ATOM 1301 CG ARG A 81 3.313 5.571 -8.582 1.00 1.31 C ATOM 1302 CD ARG A 81 4.774 5.156 -8.748 1.00 1.73 C ATOM 1303 NE ARG A 81 5.603 6.351 -8.923 1.00 2.41 N ATOM 1304 CZ ARG A 81 6.813 6.422 -9.475 1.00 3.16 C ATOM 1305 NH1 ARG A 81 7.427 5.317 -9.899 1.00 3.61 N ATOM 1306 NH2 ARG A 81 7.383 7.620 -9.597 1.00 4.20 N ATOM 0 H ARG A 81 3.091 3.636 -6.653 1.00 0.33 H new ATOM 0 HA ARG A 81 2.287 6.159 -5.294 1.00 0.37 H new ATOM 0 HB2 ARG A 81 2.523 7.243 -7.474 1.00 0.45 H new ATOM 0 HB3 ARG A 81 4.057 6.651 -6.870 1.00 0.45 H new ATOM 0 HG2 ARG A 81 2.678 4.686 -8.602 1.00 1.31 H new ATOM 0 HG3 ARG A 81 3.014 6.197 -9.423 1.00 1.31 H new ATOM 0 HD2 ARG A 81 5.106 4.595 -7.874 1.00 1.73 H new ATOM 0 HD3 ARG A 81 4.881 4.497 -9.610 1.00 1.73 H new ATOM 0 HE ARG A 81 5.209 7.228 -8.584 1.00 2.41 H new ATOM 0 HH11 ARG A 81 6.970 4.410 -9.802 1.00 3.61 H new ATOM 0 HH12 ARG A 81 8.354 5.378 -10.321 1.00 3.61 H new ATOM 0 HH21 ARG A 81 6.893 8.453 -9.271 1.00 4.20 H new ATOM 0 HH22 ARG A 81 8.309 7.704 -10.016 1.00 4.20 H new ATOM 1320 N ARG A 82 -0.034 6.005 -6.428 1.00 0.61 N ATOM 1321 CA ARG A 82 -1.385 5.783 -6.929 1.00 0.74 C ATOM 1322 C ARG A 82 -1.801 6.989 -7.747 1.00 0.61 C ATOM 1323 O ARG A 82 -1.310 8.089 -7.512 1.00 1.45 O ATOM 1324 CB ARG A 82 -2.375 5.515 -5.784 1.00 1.27 C ATOM 1325 CG ARG A 82 -2.264 6.501 -4.611 1.00 1.48 C ATOM 1326 CD ARG A 82 -1.620 5.805 -3.404 1.00 3.37 C ATOM 1327 NE ARG A 82 -2.524 4.779 -2.859 1.00 4.91 N ATOM 1328 CZ ARG A 82 -2.172 3.673 -2.194 1.00 6.89 C ATOM 1329 NH1 ARG A 82 -0.889 3.422 -1.951 1.00 7.81 N ATOM 1330 NH2 ARG A 82 -3.109 2.821 -1.783 1.00 8.34 N ATOM 0 H ARG A 82 0.071 6.868 -5.895 1.00 0.61 H new ATOM 0 HA ARG A 82 -1.394 4.894 -7.560 1.00 0.74 H new ATOM 0 HB2 ARG A 82 -3.390 5.552 -6.180 1.00 1.27 H new ATOM 0 HB3 ARG A 82 -2.215 4.504 -5.410 1.00 1.27 H new ATOM 0 HG2 ARG A 82 -1.667 7.364 -4.905 1.00 1.48 H new ATOM 0 HG3 ARG A 82 -3.253 6.873 -4.343 1.00 1.48 H new ATOM 0 HD2 ARG A 82 -0.677 5.347 -3.701 1.00 3.37 H new ATOM 0 HD3 ARG A 82 -1.388 6.540 -2.634 1.00 3.37 H new ATOM 0 HE ARG A 82 -3.523 4.927 -3.003 1.00 4.91 H new ATOM 0 HH11 ARG A 82 -0.172 4.073 -2.272 1.00 7.81 H new ATOM 0 HH12 ARG A 82 -0.622 2.578 -1.444 1.00 7.81 H new ATOM 0 HH21 ARG A 82 -4.092 3.012 -1.975 1.00 8.34 H new ATOM 0 HH22 ARG A 82 -2.844 1.977 -1.276 1.00 8.34 H new ATOM 1344 N LEU A 83 -2.688 6.773 -8.715 1.00 0.85 N ATOM 1345 CA LEU A 83 -3.334 7.833 -9.456 1.00 0.84 C ATOM 1346 C LEU A 83 -4.823 7.564 -9.312 1.00 1.61 C ATOM 1347 O LEU A 83 -5.250 6.460 -9.641 1.00 3.13 O ATOM 1348 CB LEU A 83 -2.904 7.842 -10.931 1.00 2.43 C ATOM 1349 CG LEU A 83 -1.396 8.055 -11.158 1.00 4.39 C ATOM 1350 CD1 LEU A 83 -0.577 6.764 -11.015 1.00 5.82 C ATOM 1351 CD2 LEU A 83 -1.175 8.586 -12.578 1.00 5.25 C ATOM 0 H LEU A 83 -2.977 5.839 -9.005 1.00 0.85 H new ATOM 0 HA LEU A 83 -3.059 8.816 -9.073 1.00 0.84 H new ATOM 0 HB2 LEU A 83 -3.197 6.896 -11.387 1.00 2.43 H new ATOM 0 HB3 LEU A 83 -3.451 8.629 -11.450 1.00 2.43 H new ATOM 0 HG LEU A 83 -1.061 8.758 -10.395 1.00 4.39 H new ATOM 0 HD11 LEU A 83 0.477 6.981 -11.187 1.00 5.82 H new ATOM 0 HD12 LEU A 83 -0.706 6.361 -10.010 1.00 5.82 H new ATOM 0 HD13 LEU A 83 -0.920 6.032 -11.746 1.00 5.82 H new ATOM 0 HD21 LEU A 83 -0.109 8.740 -12.747 1.00 5.25 H new ATOM 0 HD22 LEU A 83 -1.557 7.864 -13.300 1.00 5.25 H new ATOM 0 HD23 LEU A 83 -1.702 9.533 -12.699 1.00 5.25 H new ATOM 1363 N ASP A 84 -5.565 8.534 -8.773 1.00 2.60 N ATOM 1364 CA ASP A 84 -7.003 8.535 -8.497 1.00 4.17 C ATOM 1365 C ASP A 84 -7.590 7.123 -8.371 1.00 4.77 C ATOM 1366 O ASP A 84 -8.355 6.679 -9.228 1.00 5.74 O ATOM 1367 CB ASP A 84 -7.731 9.388 -9.550 1.00 5.13 C ATOM 1368 CG ASP A 84 -7.332 10.866 -9.485 1.00 5.56 C ATOM 1369 OD1 ASP A 84 -6.336 11.171 -8.788 1.00 5.46 O ATOM 1370 OD2 ASP A 84 -8.024 11.673 -10.144 1.00 6.43 O ATOM 0 H ASP A 84 -5.137 9.417 -8.494 1.00 2.60 H new ATOM 0 HA ASP A 84 -7.159 8.989 -7.518 1.00 4.17 H new ATOM 0 HB2 ASP A 84 -7.511 8.999 -10.544 1.00 5.13 H new ATOM 0 HB3 ASP A 84 -8.808 9.299 -9.404 1.00 5.13 H new ATOM 1375 N PRO A 85 -7.240 6.393 -7.301 1.00 5.41 N ATOM 1376 CA PRO A 85 -7.674 5.020 -7.126 1.00 6.59 C ATOM 1377 C PRO A 85 -9.174 5.002 -6.846 1.00 5.62 C ATOM 1378 O PRO A 85 -9.655 5.726 -5.974 1.00 4.80 O ATOM 1379 CB PRO A 85 -6.846 4.479 -5.959 1.00 8.19 C ATOM 1380 CG PRO A 85 -6.529 5.728 -5.138 1.00 7.83 C ATOM 1381 CD PRO A 85 -6.394 6.820 -6.200 1.00 6.28 C ATOM 0 HA PRO A 85 -7.522 4.399 -8.009 1.00 6.59 H new ATOM 0 HB2 PRO A 85 -7.404 3.747 -5.376 1.00 8.19 H new ATOM 0 HB3 PRO A 85 -5.938 3.985 -6.306 1.00 8.19 H new ATOM 0 HG2 PRO A 85 -7.323 5.954 -4.427 1.00 7.83 H new ATOM 0 HG3 PRO A 85 -5.610 5.610 -4.563 1.00 7.83 H new ATOM 0 HD2 PRO A 85 -6.713 7.787 -5.812 1.00 6.28 H new ATOM 0 HD3 PRO A 85 -5.358 6.931 -6.520 1.00 6.28 H new ATOM 1389 N LEU A 86 -9.912 4.177 -7.587 1.00 6.41 N ATOM 1390 CA LEU A 86 -11.365 4.141 -7.568 1.00 5.96 C ATOM 1391 C LEU A 86 -11.780 2.916 -6.754 1.00 5.86 C ATOM 1392 O LEU A 86 -11.197 1.857 -6.968 1.00 6.63 O ATOM 1393 CB LEU A 86 -11.848 4.069 -9.027 1.00 7.09 C ATOM 1394 CG LEU A 86 -13.127 4.883 -9.272 1.00 7.05 C ATOM 1395 CD1 LEU A 86 -13.025 5.601 -10.620 1.00 7.59 C ATOM 1396 CD2 LEU A 86 -14.370 3.991 -9.272 1.00 8.85 C ATOM 0 H LEU A 86 -9.502 3.501 -8.231 1.00 6.41 H new ATOM 0 HA LEU A 86 -11.809 5.024 -7.108 1.00 5.96 H new ATOM 0 HB2 LEU A 86 -11.059 4.434 -9.684 1.00 7.09 H new ATOM 0 HB3 LEU A 86 -12.029 3.028 -9.294 1.00 7.09 H new ATOM 0 HG LEU A 86 -13.225 5.606 -8.462 1.00 7.05 H new ATOM 0 HD11 LEU A 86 -13.933 6.179 -10.794 1.00 7.59 H new ATOM 0 HD12 LEU A 86 -12.165 6.270 -10.612 1.00 7.59 H new ATOM 0 HD13 LEU A 86 -12.905 4.866 -11.416 1.00 7.59 H new ATOM 0 HD21 LEU A 86 -15.256 4.601 -9.448 1.00 8.85 H new ATOM 0 HD22 LEU A 86 -14.282 3.244 -10.060 1.00 8.85 H new ATOM 0 HD23 LEU A 86 -14.460 3.492 -8.307 1.00 8.85 H new ATOM 1408 N PRO A 87 -12.721 3.038 -5.810 1.00 5.31 N ATOM 1409 CA PRO A 87 -12.934 2.008 -4.808 1.00 5.30 C ATOM 1410 C PRO A 87 -13.682 0.815 -5.398 1.00 5.88 C ATOM 1411 O PRO A 87 -14.742 0.983 -6.002 1.00 6.25 O ATOM 1412 CB PRO A 87 -13.748 2.682 -3.698 1.00 5.07 C ATOM 1413 CG PRO A 87 -14.501 3.791 -4.432 1.00 5.36 C ATOM 1414 CD PRO A 87 -13.526 4.215 -5.530 1.00 5.27 C ATOM 0 HA PRO A 87 -11.992 1.612 -4.429 1.00 5.30 H new ATOM 0 HB2 PRO A 87 -14.432 1.981 -3.220 1.00 5.07 H new ATOM 0 HB3 PRO A 87 -13.104 3.084 -2.915 1.00 5.07 H new ATOM 0 HG2 PRO A 87 -15.442 3.431 -4.848 1.00 5.36 H new ATOM 0 HG3 PRO A 87 -14.743 4.620 -3.767 1.00 5.36 H new ATOM 0 HD2 PRO A 87 -14.059 4.547 -6.421 1.00 5.27 H new ATOM 0 HD3 PRO A 87 -12.903 5.047 -5.202 1.00 5.27 H new ATOM 1422 N GLU A 88 -13.162 -0.387 -5.145 1.00 6.47 N ATOM 1423 CA GLU A 88 -13.699 -1.658 -5.612 1.00 7.40 C ATOM 1424 C GLU A 88 -13.720 -1.726 -7.149 1.00 6.07 C ATOM 1425 O GLU A 88 -13.257 -0.816 -7.831 1.00 4.97 O ATOM 1426 CB GLU A 88 -15.045 -1.937 -4.915 1.00 8.83 C ATOM 1427 CG GLU A 88 -15.470 -3.409 -5.002 1.00 10.60 C ATOM 1428 CD GLU A 88 -16.397 -3.808 -3.854 1.00 12.29 C ATOM 1429 OE1 GLU A 88 -17.582 -3.412 -3.908 1.00 12.46 O ATOM 1430 OE2 GLU A 88 -15.906 -4.533 -2.961 1.00 13.68 O ATOM 0 H GLU A 88 -12.318 -0.502 -4.584 1.00 6.47 H new ATOM 0 HA GLU A 88 -13.042 -2.479 -5.325 1.00 7.40 H new ATOM 0 HB2 GLU A 88 -14.972 -1.647 -3.867 1.00 8.83 H new ATOM 0 HB3 GLU A 88 -15.818 -1.314 -5.366 1.00 8.83 H new ATOM 0 HG2 GLU A 88 -15.974 -3.585 -5.952 1.00 10.60 H new ATOM 0 HG3 GLU A 88 -14.584 -4.043 -4.989 1.00 10.60 H new ATOM 1437 N ASN A 89 -14.189 -2.843 -7.720 1.00 6.73 N ATOM 1438 CA ASN A 89 -14.192 -3.093 -9.164 1.00 6.48 C ATOM 1439 C ASN A 89 -12.822 -2.835 -9.783 1.00 5.74 C ATOM 1440 O ASN A 89 -12.729 -2.330 -10.901 1.00 5.48 O ATOM 1441 CB ASN A 89 -15.261 -2.241 -9.855 1.00 6.03 C ATOM 1442 CG ASN A 89 -16.652 -2.585 -9.354 1.00 6.95 C ATOM 1443 OD1 ASN A 89 -17.115 -3.704 -9.531 1.00 8.51 O ATOM 1444 ND2 ASN A 89 -17.331 -1.648 -8.706 1.00 6.32 N ATOM 0 H ASN A 89 -14.584 -3.612 -7.179 1.00 6.73 H new ATOM 0 HA ASN A 89 -14.430 -4.146 -9.315 1.00 6.48 H new ATOM 0 HB2 ASN A 89 -15.059 -1.185 -9.676 1.00 6.03 H new ATOM 0 HB3 ASN A 89 -15.212 -2.397 -10.933 1.00 6.03 H new ATOM 0 HD21 ASN A 89 -18.262 -1.852 -8.342 1.00 6.32 H new ATOM 0 HD22 ASN A 89 -16.923 -0.723 -8.572 1.00 6.32 H new ATOM 1451 N ILE A 90 -11.757 -3.169 -9.054 1.00 5.79 N ATOM 1452 CA ILE A 90 -10.426 -2.724 -9.411 1.00 5.11 C ATOM 1453 C ILE A 90 -9.661 -3.896 -10.019 1.00 6.22 C ATOM 1454 O ILE A 90 -9.801 -5.034 -9.564 1.00 7.19 O ATOM 1455 CB ILE A 90 -9.756 -2.081 -8.179 1.00 4.51 C ATOM 1456 CG1 ILE A 90 -9.221 -0.696 -8.570 1.00 4.47 C ATOM 1457 CG2 ILE A 90 -8.695 -2.987 -7.534 1.00 5.05 C ATOM 1458 CD1 ILE A 90 -8.714 0.108 -7.370 1.00 5.10 C ATOM 0 H ILE A 90 -11.799 -3.746 -8.214 1.00 5.79 H new ATOM 0 HA ILE A 90 -10.445 -1.946 -10.175 1.00 5.11 H new ATOM 0 HB ILE A 90 -10.503 -1.952 -7.396 1.00 4.51 H new ATOM 0 HG12 ILE A 90 -8.411 -0.815 -9.289 1.00 4.47 H new ATOM 0 HG13 ILE A 90 -10.011 -0.135 -9.069 1.00 4.47 H new ATOM 0 HG21 ILE A 90 -8.259 -2.481 -6.673 1.00 5.05 H new ATOM 0 HG22 ILE A 90 -9.160 -3.918 -7.210 1.00 5.05 H new ATOM 0 HG23 ILE A 90 -7.913 -3.205 -8.261 1.00 5.05 H new ATOM 0 HD11 ILE A 90 -8.349 1.077 -7.710 1.00 5.10 H new ATOM 0 HD12 ILE A 90 -9.528 0.255 -6.661 1.00 5.10 H new ATOM 0 HD13 ILE A 90 -7.903 -0.435 -6.884 1.00 5.10 H new ATOM 1470 N ASP A 91 -8.869 -3.596 -11.044 1.00 6.55 N ATOM 1471 CA ASP A 91 -8.127 -4.537 -11.871 1.00 7.86 C ATOM 1472 C ASP A 91 -6.917 -3.832 -12.480 1.00 8.22 C ATOM 1473 O ASP A 91 -6.126 -4.512 -13.161 1.00 8.91 O ATOM 1474 CB ASP A 91 -9.039 -5.119 -12.968 1.00 9.24 C ATOM 1475 CG ASP A 91 -9.584 -4.114 -13.997 1.00 10.00 C ATOM 1476 OD1 ASP A 91 -9.302 -2.895 -13.894 1.00 10.49 O ATOM 1477 OD2 ASP A 91 -10.330 -4.577 -14.888 1.00 10.59 O ATOM 1478 OXT ASP A 91 -6.751 -2.626 -12.177 1.00 8.28 O ATOM 0 H ASP A 91 -8.720 -2.630 -11.336 1.00 6.55 H new ATOM 0 HA ASP A 91 -7.776 -5.365 -11.255 1.00 7.86 H new ATOM 0 HB2 ASP A 91 -8.484 -5.890 -13.502 1.00 9.24 H new ATOM 0 HB3 ASP A 91 -9.885 -5.610 -12.487 1.00 9.24 H new TER 1483 ASP A 91