USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 814 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 Single : A 1 GLY N :NH3+ -119:sc= 0.0901 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 53:sc= 0.368 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 148:sc= -0.15 (180deg=-0.877) USER MOD Single : A 14 ASN : amide:sc= -1.52! X(o=-1.5!,f=-2) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.31 F(o=-1.3,f=-0.31) USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= 0.0611 (180deg=0) USER MOD Single : A 20 SER OG : rot 83:sc= 1.12 USER MOD Single : A 21 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.0021) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -3.97! C(o=-5.2!,f=-4!) USER MOD Single : A 30 ASN : amide:sc= -0.531 K(o=-0.53,f=-2.2!) USER MOD Single : A 31 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-3.7!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -93:sc= -0.181 (180deg=-0.64) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0307 K(o=-0.031,f=-1.3) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.628 F(o=-1.1,f=-0.63) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -1.17 K(o=-1.2,f=-7.1!) USER MOD Single : A 53 LYS NZ :NH3+ -142:sc= 0.404 (180deg=-0.287) USER MOD Single : A 55 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-3.6!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -3.75 K(o=-3.7,f=-5.3!) USER MOD Single : A 64 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.62) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.0731 F(o=-0.92,f=-0.073) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -3.91! C(o=-4.5!,f=-3.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 80:sc= 1.32 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0136 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.26) USER MOD Single : A 93 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0123) USER MOD Single : A 95 LYS NZ :NH3+ 134:sc= 0.964 (180deg=-0.931) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.033 8.035 6.825 1.00 0.00 N ATOM 2 CA GLY A 1 -18.581 7.604 5.551 1.00 0.00 C ATOM 3 C GLY A 1 -18.186 6.158 5.245 1.00 0.00 C ATOM 4 O GLY A 1 -17.686 5.449 6.117 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.809 8.288 7.469 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.475 7.263 7.242 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.422 8.864 6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.667 7.692 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.222 8.259 4.757 1.00 0.00 H new ATOM 8 N SER A 2 -18.424 5.763 4.003 1.00 0.00 N ATOM 9 CA SER A 2 -18.099 4.414 3.571 1.00 0.00 C ATOM 10 C SER A 2 -18.302 4.286 2.060 1.00 0.00 C ATOM 11 O SER A 2 -19.320 4.724 1.527 1.00 0.00 O ATOM 12 CB SER A 2 -18.950 3.379 4.310 1.00 0.00 C ATOM 13 OG SER A 2 -20.344 3.637 4.171 1.00 0.00 O ATOM 0 H SER A 2 -18.838 6.354 3.282 1.00 0.00 H new ATOM 0 HA SER A 2 -17.053 4.221 3.809 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.725 2.384 3.926 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.685 3.380 5.367 1.00 0.00 H new ATOM 0 HG SER A 2 -20.853 2.954 4.655 1.00 0.00 H new ATOM 19 N SER A 3 -17.316 3.682 1.412 1.00 0.00 N ATOM 20 CA SER A 3 -17.373 3.490 -0.027 1.00 0.00 C ATOM 21 C SER A 3 -16.160 2.686 -0.497 1.00 0.00 C ATOM 22 O SER A 3 -15.051 2.883 -0.002 1.00 0.00 O ATOM 23 CB SER A 3 -17.436 4.832 -0.760 1.00 0.00 C ATOM 24 OG SER A 3 -18.744 5.113 -1.249 1.00 0.00 O ATOM 0 H SER A 3 -16.473 3.319 1.858 1.00 0.00 H new ATOM 0 HA SER A 3 -18.281 2.935 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.123 5.629 -0.085 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.732 4.824 -1.592 1.00 0.00 H new ATOM 0 HG SER A 3 -19.391 5.034 -0.517 1.00 0.00 H new ATOM 30 N GLY A 4 -16.411 1.796 -1.445 1.00 0.00 N ATOM 31 CA GLY A 4 -15.352 0.960 -1.987 1.00 0.00 C ATOM 32 C GLY A 4 -15.872 -0.441 -2.312 1.00 0.00 C ATOM 33 O GLY A 4 -16.356 -1.148 -1.430 1.00 0.00 O ATOM 0 H GLY A 4 -17.332 1.635 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.946 1.419 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.535 0.891 -1.269 1.00 0.00 H new ATOM 37 N SER A 5 -15.754 -0.802 -3.582 1.00 0.00 N ATOM 38 CA SER A 5 -16.206 -2.106 -4.035 1.00 0.00 C ATOM 39 C SER A 5 -15.465 -2.503 -5.313 1.00 0.00 C ATOM 40 O SER A 5 -15.660 -1.892 -6.363 1.00 0.00 O ATOM 41 CB SER A 5 -17.718 -2.113 -4.275 1.00 0.00 C ATOM 42 OG SER A 5 -18.397 -2.987 -3.377 1.00 0.00 O ATOM 0 H SER A 5 -15.352 -0.213 -4.311 1.00 0.00 H new ATOM 0 HA SER A 5 -15.986 -2.834 -3.254 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.108 -1.102 -4.161 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.921 -2.419 -5.301 1.00 0.00 H new ATOM 0 HG SER A 5 -19.359 -2.962 -3.561 1.00 0.00 H new ATOM 48 N SER A 6 -14.629 -3.522 -5.182 1.00 0.00 N ATOM 49 CA SER A 6 -13.857 -4.007 -6.313 1.00 0.00 C ATOM 50 C SER A 6 -12.974 -5.179 -5.880 1.00 0.00 C ATOM 51 O SER A 6 -12.688 -5.341 -4.694 1.00 0.00 O ATOM 52 CB SER A 6 -13.000 -2.891 -6.914 1.00 0.00 C ATOM 53 OG SER A 6 -12.766 -3.089 -8.306 1.00 0.00 O ATOM 0 H SER A 6 -14.469 -4.025 -4.309 1.00 0.00 H new ATOM 0 HA SER A 6 -14.552 -4.348 -7.080 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.495 -1.932 -6.762 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.046 -2.844 -6.389 1.00 0.00 H new ATOM 0 HG SER A 6 -12.217 -2.355 -8.653 1.00 0.00 H new ATOM 59 N GLY A 7 -12.565 -5.966 -6.864 1.00 0.00 N ATOM 60 CA GLY A 7 -11.720 -7.118 -6.600 1.00 0.00 C ATOM 61 C GLY A 7 -10.409 -6.695 -5.934 1.00 0.00 C ATOM 62 O GLY A 7 -10.352 -6.530 -4.717 1.00 0.00 O ATOM 0 H GLY A 7 -12.803 -5.828 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.249 -7.821 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.506 -7.638 -7.534 1.00 0.00 H new ATOM 66 N PRO A 8 -9.361 -6.528 -6.784 1.00 0.00 N ATOM 67 CA PRO A 8 -8.054 -6.128 -6.292 1.00 0.00 C ATOM 68 C PRO A 8 -8.038 -4.642 -5.925 1.00 0.00 C ATOM 69 O PRO A 8 -8.723 -3.837 -6.553 1.00 0.00 O ATOM 70 CB PRO A 8 -7.088 -6.473 -7.413 1.00 0.00 C ATOM 71 CG PRO A 8 -7.938 -6.621 -8.665 1.00 0.00 C ATOM 72 CD PRO A 8 -9.392 -6.715 -8.232 1.00 0.00 C ATOM 0 HA PRO A 8 -7.775 -6.643 -5.372 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.340 -5.690 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.550 -7.396 -7.195 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.792 -5.769 -9.329 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.647 -7.512 -9.221 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.000 -5.951 -8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.822 -7.681 -8.497 1.00 0.00 H new ATOM 80 N LYS A 9 -7.248 -4.325 -4.909 1.00 0.00 N ATOM 81 CA LYS A 9 -7.134 -2.951 -4.451 1.00 0.00 C ATOM 82 C LYS A 9 -5.676 -2.502 -4.558 1.00 0.00 C ATOM 83 O LYS A 9 -4.760 -3.307 -4.392 1.00 0.00 O ATOM 84 CB LYS A 9 -7.721 -2.804 -3.045 1.00 0.00 C ATOM 85 CG LYS A 9 -6.749 -3.331 -1.988 1.00 0.00 C ATOM 86 CD LYS A 9 -6.813 -4.857 -1.896 1.00 0.00 C ATOM 87 CE LYS A 9 -7.181 -5.306 -0.480 1.00 0.00 C ATOM 88 NZ LYS A 9 -6.538 -6.601 -0.164 1.00 0.00 N ATOM 0 H LYS A 9 -6.681 -4.996 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.720 -2.288 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.945 -1.756 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.663 -3.348 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.734 -3.020 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.989 -2.894 -1.018 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.549 -5.237 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.850 -5.283 -2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.866 -4.551 0.241 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.263 -5.399 -0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.798 -6.891 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.859 -7.322 -0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.505 -6.501 -0.229 1.00 0.00 H new ATOM 102 N LYS A 10 -5.504 -1.218 -4.836 1.00 0.00 N ATOM 103 CA LYS A 10 -4.172 -0.652 -4.967 1.00 0.00 C ATOM 104 C LYS A 10 -3.351 -0.996 -3.723 1.00 0.00 C ATOM 105 O LYS A 10 -3.586 -0.445 -2.648 1.00 0.00 O ATOM 106 CB LYS A 10 -4.254 0.849 -5.255 1.00 0.00 C ATOM 107 CG LYS A 10 -2.998 1.337 -5.979 1.00 0.00 C ATOM 108 CD LYS A 10 -3.360 2.073 -7.270 1.00 0.00 C ATOM 109 CE LYS A 10 -2.477 1.611 -8.431 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.509 2.669 -8.799 1.00 0.00 N ATOM 0 H LYS A 10 -6.265 -0.553 -4.974 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.655 -1.089 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.134 1.059 -5.864 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.375 1.396 -4.320 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.431 2.000 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.353 0.488 -6.209 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.408 1.895 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.244 3.147 -7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.943 0.703 -8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.098 1.363 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.918 2.339 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.024 3.526 -9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.905 2.886 -7.981 1.00 0.00 H new ATOM 124 N PRO A 11 -2.381 -1.929 -3.915 1.00 0.00 N ATOM 125 CA PRO A 11 -1.524 -2.353 -2.821 1.00 0.00 C ATOM 126 C PRO A 11 -0.479 -1.283 -2.496 1.00 0.00 C ATOM 127 O PRO A 11 -0.270 -0.357 -3.278 1.00 0.00 O ATOM 128 CB PRO A 11 -0.907 -3.661 -3.288 1.00 0.00 C ATOM 129 CG PRO A 11 -1.076 -3.686 -4.798 1.00 0.00 C ATOM 130 CD PRO A 11 -2.074 -2.602 -5.173 1.00 0.00 C ATOM 0 HA PRO A 11 -2.072 -2.496 -1.890 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.146 -3.717 -3.012 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.403 -4.514 -2.825 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.120 -3.512 -5.292 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.432 -4.663 -5.126 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.651 -1.909 -5.900 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.971 -3.028 -5.623 1.00 0.00 H new ATOM 138 N PRO A 12 0.165 -1.450 -1.310 1.00 0.00 N ATOM 139 CA PRO A 12 1.182 -0.509 -0.872 1.00 0.00 C ATOM 140 C PRO A 12 2.486 -0.710 -1.648 1.00 0.00 C ATOM 141 O PRO A 12 2.551 -1.539 -2.554 1.00 0.00 O ATOM 142 CB PRO A 12 1.334 -0.761 0.620 1.00 0.00 C ATOM 143 CG PRO A 12 0.741 -2.137 0.873 1.00 0.00 C ATOM 144 CD PRO A 12 -0.057 -2.534 -0.358 1.00 0.00 C ATOM 0 HA PRO A 12 0.905 0.528 -1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.382 -0.727 0.917 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.813 0.001 1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.530 -2.863 1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.100 -2.120 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.283 -3.489 -0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.116 -2.645 -0.124 1.00 0.00 H new ATOM 152 N MET A 13 3.491 0.062 -1.263 1.00 0.00 N ATOM 153 CA MET A 13 4.789 -0.021 -1.911 1.00 0.00 C ATOM 154 C MET A 13 5.898 0.477 -0.983 1.00 0.00 C ATOM 155 O MET A 13 5.673 1.362 -0.159 1.00 0.00 O ATOM 156 CB MET A 13 4.776 0.820 -3.189 1.00 0.00 C ATOM 157 CG MET A 13 4.262 0.005 -4.377 1.00 0.00 C ATOM 158 SD MET A 13 5.112 0.495 -5.868 1.00 0.00 S ATOM 159 CE MET A 13 6.744 -0.138 -5.516 1.00 0.00 C ATOM 0 H MET A 13 3.433 0.748 -0.510 1.00 0.00 H new ATOM 0 HA MET A 13 4.987 -1.065 -2.154 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.145 1.697 -3.045 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.782 1.182 -3.400 1.00 0.00 H new ATOM 0 HG2 MET A 13 4.417 -1.058 -4.193 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.189 0.155 -4.494 1.00 0.00 H new ATOM 0 HE1 MET A 13 7.224 -0.444 -6.446 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.340 0.639 -5.038 1.00 0.00 H new ATOM 0 HE3 MET A 13 6.665 -0.996 -4.849 1.00 0.00 H new ATOM 169 N ASN A 14 7.073 -0.114 -1.147 1.00 0.00 N ATOM 170 CA ASN A 14 8.218 0.259 -0.334 1.00 0.00 C ATOM 171 C ASN A 14 8.050 -0.320 1.072 1.00 0.00 C ATOM 172 O ASN A 14 8.895 -1.081 1.539 1.00 0.00 O ATOM 173 CB ASN A 14 8.333 1.779 -0.209 1.00 0.00 C ATOM 174 CG ASN A 14 8.089 2.461 -1.557 1.00 0.00 C ATOM 175 OD1 ASN A 14 8.960 2.541 -2.408 1.00 0.00 O ATOM 176 ND2 ASN A 14 6.860 2.945 -1.704 1.00 0.00 N ATOM 0 H ASN A 14 7.256 -0.848 -1.831 1.00 0.00 H new ATOM 0 HA ASN A 14 9.115 -0.132 -0.815 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.611 2.143 0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.323 2.043 0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.598 3.417 -2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.179 2.844 -0.952 1.00 0.00 H new ATOM 183 N GLY A 15 6.952 0.064 1.708 1.00 0.00 N ATOM 184 CA GLY A 15 6.662 -0.408 3.051 1.00 0.00 C ATOM 185 C GLY A 15 6.053 0.707 3.903 1.00 0.00 C ATOM 186 O GLY A 15 5.092 0.478 4.637 1.00 0.00 O ATOM 0 H GLY A 15 6.253 0.696 1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.974 -1.252 3.003 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.578 -0.770 3.519 1.00 0.00 H new ATOM 190 N TYR A 16 6.636 1.890 3.778 1.00 0.00 N ATOM 191 CA TYR A 16 6.163 3.041 4.528 1.00 0.00 C ATOM 192 C TYR A 16 4.685 3.313 4.241 1.00 0.00 C ATOM 193 O TYR A 16 3.909 3.580 5.157 1.00 0.00 O ATOM 194 CB TYR A 16 6.992 4.231 4.042 1.00 0.00 C ATOM 195 CG TYR A 16 6.482 5.587 4.534 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.291 5.804 5.884 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.214 6.594 3.629 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.812 7.080 6.348 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.735 7.870 4.093 1.00 0.00 C ATOM 200 CZ TYR A 16 5.557 8.050 5.430 1.00 0.00 C ATOM 201 OH TYR A 16 5.104 9.256 5.868 1.00 0.00 O ATOM 0 H TYR A 16 7.432 2.076 3.168 1.00 0.00 H new ATOM 0 HA TYR A 16 6.266 2.869 5.599 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.023 4.101 4.371 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.003 4.232 2.952 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.501 5.016 6.592 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.364 6.425 2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.659 7.263 7.401 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.522 8.666 3.395 1.00 0.00 H new ATOM 0 HH TYR A 16 4.966 9.852 5.102 1.00 0.00 H new ATOM 211 N GLN A 17 4.339 3.235 2.964 1.00 0.00 N ATOM 212 CA GLN A 17 2.968 3.469 2.544 1.00 0.00 C ATOM 213 C GLN A 17 2.029 2.461 3.211 1.00 0.00 C ATOM 214 O GLN A 17 0.867 2.768 3.472 1.00 0.00 O ATOM 215 CB GLN A 17 2.843 3.410 1.021 1.00 0.00 C ATOM 216 CG GLN A 17 3.568 4.587 0.365 1.00 0.00 C ATOM 217 CD GLN A 17 3.216 4.689 -1.120 1.00 0.00 C ATOM 218 OE1 GLN A 17 3.301 3.536 -1.777 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 2.888 5.746 -1.635 1.00 0.00 N flip ATOM 0 H GLN A 17 4.985 3.013 2.206 1.00 0.00 H new ATOM 0 HA GLN A 17 2.678 4.471 2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.260 2.472 0.654 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.790 3.423 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.297 5.513 0.871 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.645 4.465 0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.843 6.595 -1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.659 5.780 -2.628 1.00 0.00 H new ATOM 228 N LYS A 18 2.569 1.278 3.467 1.00 0.00 N ATOM 229 CA LYS A 18 1.794 0.223 4.097 1.00 0.00 C ATOM 230 C LYS A 18 1.516 0.602 5.554 1.00 0.00 C ATOM 231 O LYS A 18 0.360 0.741 5.953 1.00 0.00 O ATOM 232 CB LYS A 18 2.496 -1.127 3.937 1.00 0.00 C ATOM 233 CG LYS A 18 1.884 -2.177 4.866 1.00 0.00 C ATOM 234 CD LYS A 18 0.374 -2.291 4.647 1.00 0.00 C ATOM 235 CE LYS A 18 -0.060 -3.756 4.573 1.00 0.00 C ATOM 236 NZ LYS A 18 -1.111 -4.036 5.576 1.00 0.00 N ATOM 0 H LYS A 18 3.533 1.027 3.250 1.00 0.00 H new ATOM 0 HA LYS A 18 0.828 0.114 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.417 -1.461 2.903 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.558 -1.017 4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.355 -3.144 4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.085 -1.911 5.904 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.154 -1.792 5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.097 -1.779 3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.433 -3.981 3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.798 -4.405 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.111 -5.050 5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.923 -3.486 6.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.039 -3.768 5.190 1.00 0.00 H new ATOM 250 N PHE A 19 2.594 0.757 6.307 1.00 0.00 N ATOM 251 CA PHE A 19 2.480 1.117 7.711 1.00 0.00 C ATOM 252 C PHE A 19 1.577 2.339 7.892 1.00 0.00 C ATOM 253 O PHE A 19 0.757 2.379 8.808 1.00 0.00 O ATOM 254 CB PHE A 19 3.889 1.461 8.200 1.00 0.00 C ATOM 255 CG PHE A 19 3.918 2.453 9.364 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.665 2.023 10.630 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.197 3.764 9.135 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.692 2.943 11.711 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.224 4.684 10.216 1.00 0.00 C ATOM 260 CZ PHE A 19 3.971 4.254 11.481 1.00 0.00 C ATOM 0 H PHE A 19 3.551 0.640 5.973 1.00 0.00 H new ATOM 0 HA PHE A 19 2.045 0.291 8.273 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.391 0.543 8.506 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.460 1.875 7.369 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.444 0.982 10.812 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.398 4.106 8.130 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.491 2.602 12.716 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.445 5.725 10.034 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.992 4.954 12.303 1.00 0.00 H new ATOM 270 N SER A 20 1.759 3.306 7.005 1.00 0.00 N ATOM 271 CA SER A 20 0.971 4.526 7.056 1.00 0.00 C ATOM 272 C SER A 20 -0.518 4.191 6.960 1.00 0.00 C ATOM 273 O SER A 20 -1.299 4.559 7.836 1.00 0.00 O ATOM 274 CB SER A 20 1.372 5.488 5.935 1.00 0.00 C ATOM 275 OG SER A 20 2.742 5.869 6.024 1.00 0.00 O ATOM 0 H SER A 20 2.440 3.270 6.247 1.00 0.00 H new ATOM 0 HA SER A 20 1.165 5.019 8.008 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.189 5.016 4.970 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.744 6.378 5.979 1.00 0.00 H new ATOM 0 HG SER A 20 3.301 5.182 5.604 1.00 0.00 H new ATOM 281 N GLN A 21 -0.868 3.496 5.888 1.00 0.00 N ATOM 282 CA GLN A 21 -2.251 3.107 5.666 1.00 0.00 C ATOM 283 C GLN A 21 -2.845 2.510 6.943 1.00 0.00 C ATOM 284 O GLN A 21 -4.034 2.672 7.213 1.00 0.00 O ATOM 285 CB GLN A 21 -2.364 2.126 4.498 1.00 0.00 C ATOM 286 CG GLN A 21 -2.817 2.841 3.223 1.00 0.00 C ATOM 287 CD GLN A 21 -3.283 1.836 2.167 1.00 0.00 C ATOM 288 OE1 GLN A 21 -4.246 1.108 2.347 1.00 0.00 O ATOM 289 NE2 GLN A 21 -2.549 1.837 1.058 1.00 0.00 N ATOM 0 H GLN A 21 -0.218 3.192 5.163 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.822 3.998 5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.400 1.646 4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.073 1.337 4.748 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.628 3.530 3.457 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.996 3.438 2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.756 2.472 0.972 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -2.779 1.202 0.293 1.00 0.00 H new ATOM 298 N GLU A 22 -1.991 1.832 7.695 1.00 0.00 N ATOM 299 CA GLU A 22 -2.417 1.209 8.937 1.00 0.00 C ATOM 300 C GLU A 22 -2.870 2.275 9.936 1.00 0.00 C ATOM 301 O GLU A 22 -3.888 2.110 10.607 1.00 0.00 O ATOM 302 CB GLU A 22 -1.302 0.343 9.527 1.00 0.00 C ATOM 303 CG GLU A 22 -1.872 -0.928 10.159 1.00 0.00 C ATOM 304 CD GLU A 22 -1.181 -2.175 9.604 1.00 0.00 C ATOM 305 OE1 GLU A 22 -1.200 -2.329 8.364 1.00 0.00 O ATOM 306 OE2 GLU A 22 -0.649 -2.945 10.432 1.00 0.00 O ATOM 0 H GLU A 22 -1.005 1.700 7.468 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.263 0.556 8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.591 0.077 8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.753 0.912 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.745 -0.889 11.241 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.943 -0.985 9.966 1.00 0.00 H new ATOM 313 N LEU A 23 -2.092 3.346 10.004 1.00 0.00 N ATOM 314 CA LEU A 23 -2.400 4.439 10.911 1.00 0.00 C ATOM 315 C LEU A 23 -3.647 5.172 10.413 1.00 0.00 C ATOM 316 O LEU A 23 -4.366 5.787 11.199 1.00 0.00 O ATOM 317 CB LEU A 23 -1.182 5.347 11.089 1.00 0.00 C ATOM 318 CG LEU A 23 0.025 4.721 11.791 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.334 5.192 11.154 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.013 4.996 13.295 1.00 0.00 C ATOM 0 H LEU A 23 -1.249 3.480 9.446 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.630 4.056 11.905 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.865 5.694 10.105 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.489 6.227 11.654 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.025 3.640 11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.176 4.733 11.671 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.352 4.903 10.103 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.407 6.277 11.233 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.856 4.540 13.770 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.001 6.072 13.469 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.923 4.572 13.720 1.00 0.00 H new ATOM 332 N LEU A 24 -3.866 5.084 9.109 1.00 0.00 N ATOM 333 CA LEU A 24 -5.013 5.731 8.496 1.00 0.00 C ATOM 334 C LEU A 24 -6.258 4.871 8.720 1.00 0.00 C ATOM 335 O LEU A 24 -7.375 5.386 8.757 1.00 0.00 O ATOM 336 CB LEU A 24 -4.733 6.037 7.024 1.00 0.00 C ATOM 337 CG LEU A 24 -3.644 7.077 6.750 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.602 7.450 5.267 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.820 8.305 7.645 1.00 0.00 C ATOM 0 H LEU A 24 -3.267 4.574 8.460 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.203 6.696 8.967 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.454 5.108 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.659 6.379 6.562 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.679 6.634 6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.820 8.190 5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.392 6.560 4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.565 7.866 4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.033 9.028 7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.792 8.759 7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.760 8.004 8.691 1.00 0.00 H new ATOM 351 N SER A 25 -6.025 3.574 8.862 1.00 0.00 N ATOM 352 CA SER A 25 -7.113 2.637 9.081 1.00 0.00 C ATOM 353 C SER A 25 -7.286 2.376 10.578 1.00 0.00 C ATOM 354 O SER A 25 -8.349 1.939 11.017 1.00 0.00 O ATOM 355 CB SER A 25 -6.867 1.323 8.337 1.00 0.00 C ATOM 356 OG SER A 25 -7.893 1.045 7.388 1.00 0.00 O ATOM 0 H SER A 25 -5.098 3.150 8.830 1.00 0.00 H new ATOM 0 HA SER A 25 -8.029 3.079 8.688 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.905 1.370 7.827 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.807 0.506 9.056 1.00 0.00 H new ATOM 0 HG SER A 25 -7.698 0.199 6.934 1.00 0.00 H new ATOM 362 N ASN A 26 -6.225 2.654 11.321 1.00 0.00 N ATOM 363 CA ASN A 26 -6.247 2.455 12.760 1.00 0.00 C ATOM 364 C ASN A 26 -7.035 3.589 13.417 1.00 0.00 C ATOM 365 O ASN A 26 -8.053 3.349 14.064 1.00 0.00 O ATOM 366 CB ASN A 26 -4.830 2.467 13.339 1.00 0.00 C ATOM 367 CG ASN A 26 -4.088 1.173 12.999 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.799 1.346 12.721 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.649 0.089 12.990 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.345 3.015 10.954 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.711 1.489 12.959 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.279 3.321 12.944 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.876 2.590 14.421 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.642 0.027 13.213 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.124 -0.755 12.759 1.00 0.00 H new ATOM 376 N GLY A 27 -6.535 4.802 13.227 1.00 0.00 N ATOM 377 CA GLY A 27 -7.180 5.974 13.793 1.00 0.00 C ATOM 378 C GLY A 27 -6.421 6.478 15.022 1.00 0.00 C ATOM 379 O GLY A 27 -7.003 7.120 15.895 1.00 0.00 O ATOM 0 H GLY A 27 -5.691 4.998 12.689 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.230 6.764 13.043 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.206 5.731 14.069 1.00 0.00 H new ATOM 383 N GLU A 28 -5.133 6.170 15.050 1.00 0.00 N ATOM 384 CA GLU A 28 -4.288 6.583 16.157 1.00 0.00 C ATOM 385 C GLU A 28 -3.997 8.083 16.071 1.00 0.00 C ATOM 386 O GLU A 28 -3.602 8.700 17.060 1.00 0.00 O ATOM 387 CB GLU A 28 -2.990 5.774 16.189 1.00 0.00 C ATOM 388 CG GLU A 28 -3.213 4.360 15.648 1.00 0.00 C ATOM 389 CD GLU A 28 -2.494 3.322 16.513 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.285 3.526 16.757 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.171 2.349 16.911 1.00 0.00 O ATOM 0 H GLU A 28 -4.654 5.639 14.323 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.821 6.388 17.087 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.228 6.279 15.595 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.615 5.721 17.211 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.280 4.141 15.622 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.850 4.298 14.622 1.00 0.00 H new ATOM 398 N LEU A 29 -4.204 8.626 14.881 1.00 0.00 N ATOM 399 CA LEU A 29 -3.968 10.042 14.653 1.00 0.00 C ATOM 400 C LEU A 29 -5.164 10.640 13.908 1.00 0.00 C ATOM 401 O LEU A 29 -4.991 11.459 13.007 1.00 0.00 O ATOM 402 CB LEU A 29 -2.631 10.255 13.941 1.00 0.00 C ATOM 403 CG LEU A 29 -1.698 9.043 13.889 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.788 9.104 12.661 1.00 0.00 C ATOM 405 CD2 LEU A 29 -0.900 8.909 15.188 1.00 0.00 C ATOM 0 H LEU A 29 -4.533 8.111 14.064 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.885 10.572 15.602 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.833 10.577 12.919 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.105 11.072 14.435 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.309 8.146 13.793 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.135 8.231 12.648 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.397 9.115 11.757 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.182 10.009 12.702 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.245 8.040 15.125 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.299 9.806 15.340 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.586 8.786 16.026 1.00 0.00 H new ATOM 417 N ASN A 30 -6.349 10.207 14.313 1.00 0.00 N ATOM 418 CA ASN A 30 -7.572 10.689 13.695 1.00 0.00 C ATOM 419 C ASN A 30 -8.026 11.967 14.403 1.00 0.00 C ATOM 420 O ASN A 30 -9.022 12.576 14.015 1.00 0.00 O ATOM 421 CB ASN A 30 -8.695 9.657 13.817 1.00 0.00 C ATOM 422 CG ASN A 30 -9.305 9.674 15.220 1.00 0.00 C ATOM 423 OD1 ASN A 30 -10.013 10.590 15.606 1.00 0.00 O ATOM 424 ND2 ASN A 30 -8.992 8.613 15.959 1.00 0.00 N ATOM 0 H ASN A 30 -6.488 9.528 15.061 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.366 10.875 12.641 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.468 9.867 13.078 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.306 8.663 13.598 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.350 8.531 16.911 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.394 7.882 15.574 1.00 0.00 H new ATOM 431 N HIS A 31 -7.273 12.337 15.429 1.00 0.00 N ATOM 432 CA HIS A 31 -7.586 13.532 16.194 1.00 0.00 C ATOM 433 C HIS A 31 -7.139 14.771 15.416 1.00 0.00 C ATOM 434 O HIS A 31 -7.699 15.852 15.589 1.00 0.00 O ATOM 435 CB HIS A 31 -6.971 13.457 17.593 1.00 0.00 C ATOM 436 CG HIS A 31 -5.484 13.193 17.598 1.00 0.00 C ATOM 437 ND1 HIS A 31 -4.947 11.926 17.447 1.00 0.00 N ATOM 438 CD2 HIS A 31 -4.429 14.045 17.736 1.00 0.00 C ATOM 439 CE1 HIS A 31 -3.627 12.024 17.494 1.00 0.00 C ATOM 440 NE2 HIS A 31 -3.307 13.338 17.674 1.00 0.00 N ATOM 0 H HIS A 31 -6.447 11.830 15.748 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.664 13.605 16.337 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.165 14.394 18.114 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.471 12.669 18.157 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.495 15.114 17.873 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.927 11.207 17.405 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.362 13.715 17.749 1.00 0.00 H new ATOM 448 N LEU A 32 -6.134 14.572 14.575 1.00 0.00 N ATOM 449 CA LEU A 32 -5.606 15.660 13.770 1.00 0.00 C ATOM 450 C LEU A 32 -6.016 15.454 12.311 1.00 0.00 C ATOM 451 O LEU A 32 -6.474 14.376 11.937 1.00 0.00 O ATOM 452 CB LEU A 32 -4.095 15.791 13.972 1.00 0.00 C ATOM 453 CG LEU A 32 -3.356 14.509 14.361 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.306 13.529 13.187 1.00 0.00 C ATOM 455 CD2 LEU A 32 -1.962 14.823 14.906 1.00 0.00 C ATOM 0 H LEU A 32 -5.672 13.674 14.434 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.031 16.612 14.089 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.657 16.173 13.050 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.915 16.539 14.744 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.912 14.023 15.163 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.776 12.626 13.489 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.321 13.270 12.886 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.786 13.992 12.349 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.459 13.894 15.175 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.382 15.343 14.143 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.051 15.456 15.789 1.00 0.00 H new ATOM 467 N PRO A 33 -5.831 16.533 11.504 1.00 0.00 N ATOM 468 CA PRO A 33 -6.176 16.482 10.094 1.00 0.00 C ATOM 469 C PRO A 33 -5.143 15.672 9.306 1.00 0.00 C ATOM 470 O PRO A 33 -4.082 15.336 9.829 1.00 0.00 O ATOM 471 CB PRO A 33 -6.253 17.934 9.654 1.00 0.00 C ATOM 472 CG PRO A 33 -5.498 18.729 10.707 1.00 0.00 C ATOM 473 CD PRO A 33 -5.290 17.827 11.912 1.00 0.00 C ATOM 0 HA PRO A 33 -7.123 15.974 9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.806 18.068 8.669 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.289 18.266 9.582 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.540 19.068 10.314 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.060 19.619 10.989 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.234 17.751 12.172 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.807 18.214 12.790 1.00 0.00 H new ATOM 481 N LEU A 34 -5.491 15.383 8.060 1.00 0.00 N ATOM 482 CA LEU A 34 -4.607 14.619 7.196 1.00 0.00 C ATOM 483 C LEU A 34 -3.190 15.188 7.291 1.00 0.00 C ATOM 484 O LEU A 34 -2.256 14.479 7.662 1.00 0.00 O ATOM 485 CB LEU A 34 -5.158 14.578 5.769 1.00 0.00 C ATOM 486 CG LEU A 34 -4.439 13.639 4.799 1.00 0.00 C ATOM 487 CD1 LEU A 34 -2.926 13.858 4.843 1.00 0.00 C ATOM 488 CD2 LEU A 34 -4.815 12.180 5.068 1.00 0.00 C ATOM 0 H LEU A 34 -6.372 15.664 7.629 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.557 13.581 7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.208 14.287 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.124 15.587 5.359 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.769 13.876 3.787 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.439 13.178 4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.699 14.887 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.560 13.665 5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.290 11.533 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.533 11.913 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.891 12.053 4.945 1.00 0.00 H new ATOM 500 N LYS A 35 -3.074 16.463 6.950 1.00 0.00 N ATOM 501 CA LYS A 35 -1.787 17.135 6.993 1.00 0.00 C ATOM 502 C LYS A 35 -0.960 16.571 8.150 1.00 0.00 C ATOM 503 O LYS A 35 0.029 15.873 7.928 1.00 0.00 O ATOM 504 CB LYS A 35 -1.976 18.652 7.056 1.00 0.00 C ATOM 505 CG LYS A 35 -0.649 19.359 7.336 1.00 0.00 C ATOM 506 CD LYS A 35 -0.875 20.831 7.690 1.00 0.00 C ATOM 507 CE LYS A 35 0.334 21.682 7.296 1.00 0.00 C ATOM 508 NZ LYS A 35 1.175 21.968 8.480 1.00 0.00 N ATOM 0 H LYS A 35 -3.851 17.048 6.643 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.228 16.944 6.077 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.391 19.010 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.696 18.900 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -0.133 18.859 8.156 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.003 19.287 6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.765 21.199 7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.059 20.927 8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.923 21.160 6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.002 22.617 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.991 22.546 8.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.614 22.485 9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.511 21.074 8.891 1.00 0.00 H new ATOM 522 N GLU A 36 -1.395 16.893 9.359 1.00 0.00 N ATOM 523 CA GLU A 36 -0.707 16.426 10.551 1.00 0.00 C ATOM 524 C GLU A 36 -0.519 14.909 10.495 1.00 0.00 C ATOM 525 O GLU A 36 0.594 14.411 10.658 1.00 0.00 O ATOM 526 CB GLU A 36 -1.462 16.839 11.816 1.00 0.00 C ATOM 527 CG GLU A 36 -1.083 18.258 12.242 1.00 0.00 C ATOM 528 CD GLU A 36 -1.180 18.420 13.761 1.00 0.00 C ATOM 529 OE1 GLU A 36 -2.210 17.976 14.314 1.00 0.00 O ATOM 530 OE2 GLU A 36 -0.223 18.984 14.334 1.00 0.00 O ATOM 0 H GLU A 36 -2.215 17.472 9.539 1.00 0.00 H new ATOM 0 HA GLU A 36 0.277 16.893 10.586 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.536 16.784 11.637 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.237 16.141 12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.068 18.481 11.913 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.742 18.976 11.753 1.00 0.00 H new ATOM 537 N ARG A 37 -1.624 14.215 10.265 1.00 0.00 N ATOM 538 CA ARG A 37 -1.595 12.765 10.186 1.00 0.00 C ATOM 539 C ARG A 37 -0.326 12.298 9.468 1.00 0.00 C ATOM 540 O ARG A 37 0.502 11.602 10.053 1.00 0.00 O ATOM 541 CB ARG A 37 -2.820 12.228 9.442 1.00 0.00 C ATOM 542 CG ARG A 37 -3.787 11.538 10.406 1.00 0.00 C ATOM 543 CD ARG A 37 -5.024 11.024 9.667 1.00 0.00 C ATOM 544 NE ARG A 37 -6.247 11.612 10.257 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.487 11.162 10.021 1.00 0.00 C ATOM 546 NH1 ARG A 37 -7.675 10.116 9.205 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.538 11.758 10.600 1.00 0.00 N ATOM 0 H ARG A 37 -2.546 14.631 10.131 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.605 12.378 11.205 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.329 13.047 8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.503 11.524 8.673 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.283 10.707 10.900 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.089 12.237 11.186 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.960 11.282 8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.068 9.937 9.727 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.139 12.410 10.883 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.875 9.663 8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.618 9.773 9.025 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.394 12.555 11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.482 11.415 10.420 1.00 0.00 H new ATOM 561 N MET A 38 -0.215 12.700 8.210 1.00 0.00 N ATOM 562 CA MET A 38 0.938 12.332 7.407 1.00 0.00 C ATOM 563 C MET A 38 2.240 12.569 8.175 1.00 0.00 C ATOM 564 O MET A 38 2.929 11.619 8.544 1.00 0.00 O ATOM 565 CB MET A 38 0.948 13.157 6.119 1.00 0.00 C ATOM 566 CG MET A 38 -0.017 12.573 5.085 1.00 0.00 C ATOM 567 SD MET A 38 0.873 11.540 3.934 1.00 0.00 S ATOM 568 CE MET A 38 0.521 9.932 4.622 1.00 0.00 C ATOM 0 H MET A 38 -0.904 13.277 7.728 1.00 0.00 H new ATOM 0 HA MET A 38 0.867 11.271 7.169 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.669 14.187 6.341 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.957 13.182 5.707 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.791 11.991 5.586 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.520 13.378 4.550 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.317 9.649 5.311 1.00 0.00 H new ATOM 0 HE2 MET A 38 -0.428 9.965 5.157 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.459 9.198 3.818 1.00 0.00 H new ATOM 578 N VAL A 39 2.539 13.841 8.392 1.00 0.00 N ATOM 579 CA VAL A 39 3.746 14.215 9.109 1.00 0.00 C ATOM 580 C VAL A 39 3.866 13.363 10.374 1.00 0.00 C ATOM 581 O VAL A 39 4.930 12.814 10.658 1.00 0.00 O ATOM 582 CB VAL A 39 3.738 15.717 9.399 1.00 0.00 C ATOM 583 CG1 VAL A 39 2.436 16.138 10.083 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.953 16.120 10.237 1.00 0.00 C ATOM 0 H VAL A 39 1.966 14.626 8.084 1.00 0.00 H new ATOM 0 HA VAL A 39 4.629 14.020 8.500 1.00 0.00 H new ATOM 0 HB VAL A 39 3.799 16.242 8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.457 17.210 10.277 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.592 15.904 9.434 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.330 15.600 11.025 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.923 17.193 10.429 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.936 15.581 11.184 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.866 15.874 9.695 1.00 0.00 H new ATOM 594 N GLU A 40 2.762 13.280 11.101 1.00 0.00 N ATOM 595 CA GLU A 40 2.730 12.504 12.329 1.00 0.00 C ATOM 596 C GLU A 40 3.069 11.040 12.041 1.00 0.00 C ATOM 597 O GLU A 40 3.693 10.371 12.863 1.00 0.00 O ATOM 598 CB GLU A 40 1.371 12.627 13.021 1.00 0.00 C ATOM 599 CG GLU A 40 1.539 12.860 14.523 1.00 0.00 C ATOM 600 CD GLU A 40 2.158 14.232 14.799 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.378 15.208 14.847 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.398 14.274 14.956 1.00 0.00 O ATOM 0 H GLU A 40 1.882 13.738 10.863 1.00 0.00 H new ATOM 0 HA GLU A 40 3.483 12.904 13.008 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.809 13.451 12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.790 11.720 12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.570 12.788 15.016 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.171 12.080 14.947 1.00 0.00 H new ATOM 609 N ILE A 41 2.643 10.586 10.872 1.00 0.00 N ATOM 610 CA ILE A 41 2.893 9.214 10.465 1.00 0.00 C ATOM 611 C ILE A 41 4.386 9.035 10.182 1.00 0.00 C ATOM 612 O ILE A 41 5.026 8.148 10.744 1.00 0.00 O ATOM 613 CB ILE A 41 1.993 8.831 9.289 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.525 8.771 9.717 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.457 7.522 8.647 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.402 9.103 8.546 1.00 0.00 C ATOM 0 H ILE A 41 2.126 11.144 10.193 1.00 0.00 H new ATOM 0 HA ILE A 41 2.636 8.525 11.269 1.00 0.00 H new ATOM 0 HB ILE A 41 2.075 9.609 8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.294 7.776 10.098 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.351 9.473 10.533 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.800 7.273 7.814 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.478 7.637 8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.424 6.722 9.387 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.439 9.053 8.878 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.185 10.108 8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.243 8.385 7.741 1.00 0.00 H new ATOM 628 N GLY A 42 4.896 9.891 9.309 1.00 0.00 N ATOM 629 CA GLY A 42 6.302 9.839 8.944 1.00 0.00 C ATOM 630 C GLY A 42 7.185 9.691 10.184 1.00 0.00 C ATOM 631 O GLY A 42 8.180 8.967 10.160 1.00 0.00 O ATOM 0 H GLY A 42 4.361 10.624 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.475 9.002 8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.575 10.746 8.405 1.00 0.00 H new ATOM 635 N SER A 43 6.791 10.388 11.239 1.00 0.00 N ATOM 636 CA SER A 43 7.534 10.343 12.487 1.00 0.00 C ATOM 637 C SER A 43 7.480 8.933 13.078 1.00 0.00 C ATOM 638 O SER A 43 8.516 8.336 13.365 1.00 0.00 O ATOM 639 CB SER A 43 6.989 11.361 13.490 1.00 0.00 C ATOM 640 OG SER A 43 8.031 12.099 14.122 1.00 0.00 O ATOM 0 H SER A 43 5.966 10.988 11.256 1.00 0.00 H new ATOM 0 HA SER A 43 8.572 10.602 12.276 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.316 12.049 12.978 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.400 10.844 14.248 1.00 0.00 H new ATOM 0 HG SER A 43 7.642 12.739 14.754 1.00 0.00 H new ATOM 646 N ARG A 44 6.260 8.442 13.243 1.00 0.00 N ATOM 647 CA ARG A 44 6.057 7.114 13.796 1.00 0.00 C ATOM 648 C ARG A 44 6.832 6.076 12.981 1.00 0.00 C ATOM 649 O ARG A 44 7.393 5.135 13.542 1.00 0.00 O ATOM 650 CB ARG A 44 4.573 6.741 13.802 1.00 0.00 C ATOM 651 CG ARG A 44 3.797 7.597 14.806 1.00 0.00 C ATOM 652 CD ARG A 44 2.527 6.881 15.270 1.00 0.00 C ATOM 653 NE ARG A 44 2.804 6.100 16.496 1.00 0.00 N ATOM 654 CZ ARG A 44 3.089 4.791 16.504 1.00 0.00 C ATOM 655 NH1 ARG A 44 3.135 4.108 15.352 1.00 0.00 N ATOM 656 NH2 ARG A 44 3.327 4.164 17.665 1.00 0.00 N ATOM 0 H ARG A 44 5.403 8.940 13.003 1.00 0.00 H new ATOM 0 HA ARG A 44 6.423 7.123 14.823 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.156 6.877 12.804 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.460 5.687 14.054 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.429 7.818 15.666 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.535 8.551 14.350 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.739 7.609 15.463 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.164 6.220 14.483 1.00 0.00 H new ATOM 0 HE ARG A 44 2.776 6.589 17.391 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.953 4.585 14.469 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.352 3.111 15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.291 4.684 18.542 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.544 3.167 17.671 1.00 0.00 H new ATOM 670 N TRP A 45 6.839 6.282 11.673 1.00 0.00 N ATOM 671 CA TRP A 45 7.537 5.376 10.776 1.00 0.00 C ATOM 672 C TRP A 45 9.029 5.441 11.106 1.00 0.00 C ATOM 673 O TRP A 45 9.753 4.464 10.918 1.00 0.00 O ATOM 674 CB TRP A 45 7.233 5.710 9.314 1.00 0.00 C ATOM 675 CG TRP A 45 8.164 5.024 8.313 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.236 5.540 7.696 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.062 3.666 7.835 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.830 4.617 6.858 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.093 3.442 6.945 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.129 2.660 8.143 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.290 2.219 6.292 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.339 1.445 7.482 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.373 1.203 6.584 1.00 0.00 C ATOM 0 H TRP A 45 6.372 7.063 11.212 1.00 0.00 H new ATOM 0 HA TRP A 45 7.193 4.351 10.918 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.205 5.424 9.093 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.301 6.789 9.177 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.591 6.550 7.836 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.657 4.770 6.281 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.314 2.813 8.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.106 2.068 5.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.650 0.638 7.683 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.468 0.235 6.114 1.00 0.00 H new ATOM 694 N GLN A 46 9.446 6.600 11.592 1.00 0.00 N ATOM 695 CA GLN A 46 10.839 6.805 11.950 1.00 0.00 C ATOM 696 C GLN A 46 11.123 6.217 13.334 1.00 0.00 C ATOM 697 O GLN A 46 12.258 6.258 13.808 1.00 0.00 O ATOM 698 CB GLN A 46 11.206 8.289 11.899 1.00 0.00 C ATOM 699 CG GLN A 46 11.496 8.733 10.464 1.00 0.00 C ATOM 700 CD GLN A 46 12.211 10.086 10.442 1.00 0.00 C ATOM 701 OE1 GLN A 46 12.576 10.640 11.465 1.00 0.00 O ATOM 702 NE2 GLN A 46 12.390 10.584 9.222 1.00 0.00 N ATOM 0 H GLN A 46 8.843 7.408 11.747 1.00 0.00 H new ATOM 0 HA GLN A 46 11.461 6.286 11.221 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.390 8.883 12.309 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.080 8.473 12.524 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.112 7.984 9.965 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.563 8.802 9.905 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.059 10.068 8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 46 12.858 11.482 9.101 1.00 0.00 H new ATOM 711 N ARG A 47 10.074 5.684 13.942 1.00 0.00 N ATOM 712 CA ARG A 47 10.197 5.089 15.262 1.00 0.00 C ATOM 713 C ARG A 47 10.441 3.583 15.144 1.00 0.00 C ATOM 714 O ARG A 47 11.385 3.056 15.731 1.00 0.00 O ATOM 715 CB ARG A 47 8.936 5.331 16.095 1.00 0.00 C ATOM 716 CG ARG A 47 8.674 6.828 16.270 1.00 0.00 C ATOM 717 CD ARG A 47 7.472 7.070 17.185 1.00 0.00 C ATOM 718 NE ARG A 47 7.922 7.197 18.590 1.00 0.00 N ATOM 719 CZ ARG A 47 8.407 8.326 19.124 1.00 0.00 C ATOM 720 NH1 ARG A 47 8.507 9.433 18.375 1.00 0.00 N ATOM 721 NH2 ARG A 47 8.791 8.348 20.408 1.00 0.00 N ATOM 0 H ARG A 47 9.135 5.652 13.545 1.00 0.00 H new ATOM 0 HA ARG A 47 11.044 5.560 15.761 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.080 4.863 15.610 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.045 4.861 17.072 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.558 7.309 16.689 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.493 7.286 15.297 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.948 7.976 16.879 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.764 6.246 17.094 1.00 0.00 H new ATOM 0 HE ARG A 47 7.859 6.374 19.189 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.214 9.416 17.398 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.876 10.292 18.782 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.714 7.506 20.978 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.160 9.207 20.815 1.00 0.00 H new ATOM 735 N ILE A 48 9.574 2.933 14.382 1.00 0.00 N ATOM 736 CA ILE A 48 9.683 1.498 14.180 1.00 0.00 C ATOM 737 C ILE A 48 11.150 1.131 13.947 1.00 0.00 C ATOM 738 O ILE A 48 11.976 2.001 13.674 1.00 0.00 O ATOM 739 CB ILE A 48 8.749 1.042 13.057 1.00 0.00 C ATOM 740 CG1 ILE A 48 8.928 1.909 11.809 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.295 1.013 13.532 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.077 1.385 10.651 1.00 0.00 C ATOM 0 H ILE A 48 8.793 3.374 13.897 1.00 0.00 H new ATOM 0 HA ILE A 48 9.357 0.962 15.071 1.00 0.00 H new ATOM 0 HB ILE A 48 9.018 0.022 12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.648 2.938 12.034 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.978 1.920 11.517 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.652 0.686 12.715 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.199 0.321 14.369 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.996 2.012 13.851 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.223 2.019 9.776 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.376 0.364 10.413 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.025 1.398 10.937 1.00 0.00 H new ATOM 754 N SER A 49 11.430 -0.159 14.062 1.00 0.00 N ATOM 755 CA SER A 49 12.783 -0.652 13.868 1.00 0.00 C ATOM 756 C SER A 49 12.882 -1.395 12.534 1.00 0.00 C ATOM 757 O SER A 49 11.865 -1.745 11.937 1.00 0.00 O ATOM 758 CB SER A 49 13.206 -1.568 15.018 1.00 0.00 C ATOM 759 OG SER A 49 12.501 -2.806 15.002 1.00 0.00 O ATOM 0 H SER A 49 10.742 -0.878 14.287 1.00 0.00 H new ATOM 0 HA SER A 49 13.460 0.202 13.853 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.277 -1.760 14.953 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.030 -1.063 15.968 1.00 0.00 H new ATOM 0 HG SER A 49 12.801 -3.363 15.751 1.00 0.00 H new ATOM 765 N GLN A 50 14.116 -1.614 12.105 1.00 0.00 N ATOM 766 CA GLN A 50 14.362 -2.309 10.853 1.00 0.00 C ATOM 767 C GLN A 50 13.367 -3.458 10.680 1.00 0.00 C ATOM 768 O GLN A 50 12.618 -3.494 9.705 1.00 0.00 O ATOM 769 CB GLN A 50 15.803 -2.816 10.781 1.00 0.00 C ATOM 770 CG GLN A 50 16.151 -3.278 9.364 1.00 0.00 C ATOM 771 CD GLN A 50 15.902 -2.163 8.346 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.679 -2.172 7.823 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.763 -1.349 8.056 1.00 0.00 N flip ATOM 0 H GLN A 50 14.957 -1.322 12.603 1.00 0.00 H new ATOM 0 HA GLN A 50 14.219 -1.604 10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.487 -2.024 11.088 1.00 0.00 H new ATOM 0 HB3 GLN A 50 15.937 -3.642 11.480 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.196 -3.585 9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.553 -4.152 9.105 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.682 -1.400 8.496 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.564 -0.617 7.374 1.00 0.00 H new ATOM 782 N SER A 51 13.391 -4.369 11.642 1.00 0.00 N ATOM 783 CA SER A 51 12.501 -5.517 11.608 1.00 0.00 C ATOM 784 C SER A 51 11.126 -5.097 11.083 1.00 0.00 C ATOM 785 O SER A 51 10.536 -5.791 10.257 1.00 0.00 O ATOM 786 CB SER A 51 12.368 -6.152 12.994 1.00 0.00 C ATOM 787 OG SER A 51 11.241 -7.020 13.078 1.00 0.00 O ATOM 0 H SER A 51 14.013 -4.335 12.450 1.00 0.00 H new ATOM 0 HA SER A 51 12.928 -6.262 10.936 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.274 -6.712 13.225 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.278 -5.367 13.745 1.00 0.00 H new ATOM 0 HG SER A 51 11.192 -7.406 13.977 1.00 0.00 H new ATOM 793 N GLN A 52 10.657 -3.964 11.583 1.00 0.00 N ATOM 794 CA GLN A 52 9.363 -3.444 11.175 1.00 0.00 C ATOM 795 C GLN A 52 9.390 -3.059 9.694 1.00 0.00 C ATOM 796 O GLN A 52 8.791 -3.738 8.862 1.00 0.00 O ATOM 797 CB GLN A 52 8.951 -2.254 12.044 1.00 0.00 C ATOM 798 CG GLN A 52 7.716 -2.589 12.882 1.00 0.00 C ATOM 799 CD GLN A 52 7.890 -2.116 14.327 1.00 0.00 C ATOM 800 OE1 GLN A 52 8.972 -1.764 14.766 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.767 -2.128 15.039 1.00 0.00 N ATOM 0 H GLN A 52 11.150 -3.391 12.268 1.00 0.00 H new ATOM 0 HA GLN A 52 8.618 -4.227 11.314 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.776 -1.976 12.700 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.742 -1.392 11.411 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.836 -2.117 12.444 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.542 -3.665 12.866 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.894 -2.435 14.610 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.778 -1.830 16.015 1.00 0.00 H new ATOM 810 N LYS A 53 10.090 -1.970 9.411 1.00 0.00 N ATOM 811 CA LYS A 53 10.203 -1.487 8.046 1.00 0.00 C ATOM 812 C LYS A 53 10.344 -2.679 7.097 1.00 0.00 C ATOM 813 O LYS A 53 9.718 -2.712 6.039 1.00 0.00 O ATOM 814 CB LYS A 53 11.340 -0.470 7.929 1.00 0.00 C ATOM 815 CG LYS A 53 10.969 0.848 8.611 1.00 0.00 C ATOM 816 CD LYS A 53 11.992 1.940 8.287 1.00 0.00 C ATOM 817 CE LYS A 53 11.689 3.222 9.064 1.00 0.00 C ATOM 818 NZ LYS A 53 12.258 3.148 10.429 1.00 0.00 N ATOM 0 H LYS A 53 10.585 -1.409 10.104 1.00 0.00 H new ATOM 0 HA LYS A 53 9.298 -0.953 7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.244 -0.876 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.564 -0.289 6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.978 1.164 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.917 0.701 9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.994 1.589 8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.981 2.148 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.104 4.081 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.611 3.374 9.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.603 3.593 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.402 2.152 10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.170 3.647 10.452 1.00 0.00 H new ATOM 832 N GLU A 54 11.170 -3.629 7.510 1.00 0.00 N ATOM 833 CA GLU A 54 11.401 -4.820 6.710 1.00 0.00 C ATOM 834 C GLU A 54 10.087 -5.569 6.483 1.00 0.00 C ATOM 835 O GLU A 54 9.693 -5.807 5.342 1.00 0.00 O ATOM 836 CB GLU A 54 12.443 -5.727 7.366 1.00 0.00 C ATOM 837 CG GLU A 54 13.852 -5.387 6.876 1.00 0.00 C ATOM 838 CD GLU A 54 14.435 -6.532 6.046 1.00 0.00 C ATOM 839 OE1 GLU A 54 13.967 -6.697 4.899 1.00 0.00 O ATOM 840 OE2 GLU A 54 15.336 -7.217 6.577 1.00 0.00 O ATOM 0 H GLU A 54 11.688 -3.598 8.388 1.00 0.00 H new ATOM 0 HA GLU A 54 11.794 -4.513 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.395 -5.618 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.217 -6.769 7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.823 -4.477 6.277 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.499 -5.186 7.730 1.00 0.00 H new ATOM 847 N HIS A 55 9.445 -5.922 7.587 1.00 0.00 N ATOM 848 CA HIS A 55 8.183 -6.640 7.523 1.00 0.00 C ATOM 849 C HIS A 55 7.250 -5.950 6.525 1.00 0.00 C ATOM 850 O HIS A 55 6.893 -6.530 5.501 1.00 0.00 O ATOM 851 CB HIS A 55 7.565 -6.778 8.915 1.00 0.00 C ATOM 852 CG HIS A 55 6.294 -7.594 8.945 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.241 -8.914 8.532 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.032 -7.263 9.342 1.00 0.00 C ATOM 855 CE1 HIS A 55 4.997 -9.347 8.678 1.00 0.00 C ATOM 856 NE2 HIS A 55 4.250 -8.323 9.180 1.00 0.00 N ATOM 0 H HIS A 55 9.775 -5.724 8.532 1.00 0.00 H new ATOM 0 HA HIS A 55 8.356 -7.655 7.164 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.295 -7.237 9.582 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.355 -5.783 9.308 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.722 -6.301 9.723 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.638 -10.338 8.441 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.254 -8.365 9.396 1.00 0.00 H new ATOM 864 N TYR A 56 6.883 -4.722 6.860 1.00 0.00 N ATOM 865 CA TYR A 56 5.999 -3.947 6.007 1.00 0.00 C ATOM 866 C TYR A 56 6.474 -3.977 4.553 1.00 0.00 C ATOM 867 O TYR A 56 5.734 -4.392 3.663 1.00 0.00 O ATOM 868 CB TYR A 56 6.068 -2.508 6.524 1.00 0.00 C ATOM 869 CG TYR A 56 5.215 -2.252 7.768 1.00 0.00 C ATOM 870 CD1 TYR A 56 3.875 -2.582 7.765 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.785 -1.691 8.892 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.072 -2.341 8.936 1.00 0.00 C ATOM 873 CE2 TYR A 56 4.982 -1.450 10.063 1.00 0.00 C ATOM 874 CZ TYR A 56 3.665 -1.787 10.027 1.00 0.00 C ATOM 875 OH TYR A 56 2.907 -1.559 11.133 1.00 0.00 O ATOM 0 H TYR A 56 7.182 -4.245 7.710 1.00 0.00 H new ATOM 0 HA TYR A 56 4.988 -4.353 6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.106 -2.264 6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.748 -1.832 5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.429 -3.021 6.885 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.834 -1.432 8.894 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.022 -2.595 8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.416 -1.012 10.950 1.00 0.00 H new ATOM 0 HH TYR A 56 3.463 -1.161 11.835 1.00 0.00 H new ATOM 885 N LYS A 57 7.706 -3.531 4.357 1.00 0.00 N ATOM 886 CA LYS A 57 8.289 -3.502 3.027 1.00 0.00 C ATOM 887 C LYS A 57 8.049 -4.848 2.340 1.00 0.00 C ATOM 888 O LYS A 57 7.644 -4.893 1.179 1.00 0.00 O ATOM 889 CB LYS A 57 9.764 -3.102 3.097 1.00 0.00 C ATOM 890 CG LYS A 57 10.458 -3.327 1.751 1.00 0.00 C ATOM 891 CD LYS A 57 11.571 -2.300 1.530 1.00 0.00 C ATOM 892 CE LYS A 57 12.846 -2.706 2.270 1.00 0.00 C ATOM 893 NZ LYS A 57 13.912 -3.065 1.308 1.00 0.00 N ATOM 0 H LYS A 57 8.317 -3.187 5.098 1.00 0.00 H new ATOM 0 HA LYS A 57 7.805 -2.741 2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.847 -2.053 3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.266 -3.683 3.871 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.875 -4.334 1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.728 -3.256 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.779 -2.207 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.241 -1.321 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.182 -1.886 2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.639 -3.552 2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.771 -3.338 1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.595 -3.862 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.121 -2.247 0.700 1.00 0.00 H new ATOM 907 N LYS A 58 8.309 -5.911 3.086 1.00 0.00 N ATOM 908 CA LYS A 58 8.126 -7.255 2.563 1.00 0.00 C ATOM 909 C LYS A 58 6.667 -7.439 2.141 1.00 0.00 C ATOM 910 O LYS A 58 6.386 -7.772 0.991 1.00 0.00 O ATOM 911 CB LYS A 58 8.609 -8.294 3.576 1.00 0.00 C ATOM 912 CG LYS A 58 8.172 -9.703 3.168 1.00 0.00 C ATOM 913 CD LYS A 58 6.884 -10.108 3.887 1.00 0.00 C ATOM 914 CE LYS A 58 7.089 -10.137 5.403 1.00 0.00 C ATOM 915 NZ LYS A 58 6.978 -11.522 5.914 1.00 0.00 N ATOM 0 H LYS A 58 8.645 -5.870 4.048 1.00 0.00 H new ATOM 0 HA LYS A 58 8.737 -7.404 1.673 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.696 -8.254 3.653 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.211 -8.057 4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.018 -9.742 2.090 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.963 -10.415 3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.088 -9.407 3.637 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.563 -11.091 3.541 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.069 -9.729 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.347 -9.503 5.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.120 -11.524 6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.034 -11.899 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.702 -12.117 5.464 1.00 0.00 H new ATOM 929 N LEU A 59 5.775 -7.214 3.096 1.00 0.00 N ATOM 930 CA LEU A 59 4.352 -7.351 2.838 1.00 0.00 C ATOM 931 C LEU A 59 4.014 -6.687 1.501 1.00 0.00 C ATOM 932 O LEU A 59 3.470 -7.330 0.605 1.00 0.00 O ATOM 933 CB LEU A 59 3.539 -6.811 4.016 1.00 0.00 C ATOM 934 CG LEU A 59 3.769 -7.502 5.362 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.193 -6.671 6.510 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.211 -8.926 5.349 1.00 0.00 C ATOM 0 H LEU A 59 6.011 -6.938 4.049 1.00 0.00 H new ATOM 0 HA LEU A 59 4.081 -8.403 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.764 -5.751 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.481 -6.887 3.767 1.00 0.00 H new ATOM 0 HG LEU A 59 4.844 -7.579 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.370 -7.184 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.677 -5.695 6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.121 -6.541 6.363 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.387 -9.395 6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.140 -8.895 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.708 -9.504 4.570 1.00 0.00 H new ATOM 948 N ALA A 60 4.350 -5.409 1.411 1.00 0.00 N ATOM 949 CA ALA A 60 4.089 -4.650 0.199 1.00 0.00 C ATOM 950 C ALA A 60 4.389 -5.525 -1.019 1.00 0.00 C ATOM 951 O ALA A 60 3.594 -5.586 -1.956 1.00 0.00 O ATOM 952 CB ALA A 60 4.919 -3.365 0.213 1.00 0.00 C ATOM 0 H ALA A 60 4.801 -4.879 2.157 1.00 0.00 H new ATOM 0 HA ALA A 60 3.040 -4.359 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.724 -2.796 -0.696 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.647 -2.766 1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.978 -3.617 0.263 1.00 0.00 H new ATOM 958 N GLU A 61 5.540 -6.181 -0.968 1.00 0.00 N ATOM 959 CA GLU A 61 5.955 -7.050 -2.057 1.00 0.00 C ATOM 960 C GLU A 61 4.911 -8.145 -2.289 1.00 0.00 C ATOM 961 O GLU A 61 4.535 -8.416 -3.428 1.00 0.00 O ATOM 962 CB GLU A 61 7.332 -7.655 -1.780 1.00 0.00 C ATOM 963 CG GLU A 61 8.271 -6.621 -1.155 1.00 0.00 C ATOM 964 CD GLU A 61 9.728 -6.913 -1.518 1.00 0.00 C ATOM 965 OE1 GLU A 61 10.211 -7.989 -1.105 1.00 0.00 O ATOM 966 OE2 GLU A 61 10.327 -6.053 -2.200 1.00 0.00 O ATOM 0 H GLU A 61 6.198 -6.128 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 61 6.033 -6.452 -2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.230 -8.509 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.763 -8.028 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.000 -5.623 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.154 -6.627 -0.071 1.00 0.00 H new ATOM 973 N GLU A 62 4.473 -8.743 -1.192 1.00 0.00 N ATOM 974 CA GLU A 62 3.481 -9.802 -1.262 1.00 0.00 C ATOM 975 C GLU A 62 2.147 -9.247 -1.764 1.00 0.00 C ATOM 976 O GLU A 62 1.480 -9.872 -2.587 1.00 0.00 O ATOM 977 CB GLU A 62 3.313 -10.488 0.096 1.00 0.00 C ATOM 978 CG GLU A 62 2.098 -11.418 0.094 1.00 0.00 C ATOM 979 CD GLU A 62 2.505 -12.852 0.439 1.00 0.00 C ATOM 980 OE1 GLU A 62 3.277 -13.005 1.410 1.00 0.00 O ATOM 981 OE2 GLU A 62 2.035 -13.763 -0.276 1.00 0.00 O ATOM 0 H GLU A 62 4.787 -8.514 -0.249 1.00 0.00 H new ATOM 0 HA GLU A 62 3.830 -10.553 -1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.211 -11.058 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.198 -9.735 0.876 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.362 -11.062 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.621 -11.397 -0.886 1.00 0.00 H new ATOM 988 N GLN A 63 1.797 -8.078 -1.247 1.00 0.00 N ATOM 989 CA GLN A 63 0.554 -7.431 -1.633 1.00 0.00 C ATOM 990 C GLN A 63 0.484 -7.280 -3.154 1.00 0.00 C ATOM 991 O GLN A 63 -0.507 -7.663 -3.774 1.00 0.00 O ATOM 992 CB GLN A 63 0.404 -6.075 -0.940 1.00 0.00 C ATOM 993 CG GLN A 63 -0.476 -6.191 0.306 1.00 0.00 C ATOM 994 CD GLN A 63 -1.591 -5.143 0.290 1.00 0.00 C ATOM 995 OE1 GLN A 63 -1.710 -4.313 1.176 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.397 -5.227 -0.764 1.00 0.00 N ATOM 0 H GLN A 63 2.352 -7.562 -0.564 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.276 -8.061 -1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.387 -5.694 -0.662 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.032 -5.355 -1.632 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.911 -7.189 0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.135 -6.064 1.200 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.241 -5.947 -1.470 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.172 -4.572 -0.867 1.00 0.00 H new ATOM 1005 N GLN A 64 1.549 -6.723 -3.711 1.00 0.00 N ATOM 1006 CA GLN A 64 1.621 -6.517 -5.148 1.00 0.00 C ATOM 1007 C GLN A 64 1.614 -7.861 -5.878 1.00 0.00 C ATOM 1008 O GLN A 64 1.083 -7.970 -6.982 1.00 0.00 O ATOM 1009 CB GLN A 64 2.856 -5.695 -5.523 1.00 0.00 C ATOM 1010 CG GLN A 64 2.856 -4.346 -4.803 1.00 0.00 C ATOM 1011 CD GLN A 64 4.075 -3.511 -5.202 1.00 0.00 C ATOM 1012 OE1 GLN A 64 4.027 -2.687 -6.100 1.00 0.00 O ATOM 1013 NE2 GLN A 64 5.166 -3.771 -4.488 1.00 0.00 N ATOM 0 H GLN A 64 2.369 -6.408 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 64 0.742 -5.953 -5.459 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.758 -6.249 -5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.878 -5.536 -6.601 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.943 -3.801 -5.044 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.857 -4.505 -3.725 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.137 -4.474 -3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.032 -3.267 -4.678 1.00 0.00 H new ATOM 1022 N ARG A 65 2.210 -8.853 -5.231 1.00 0.00 N ATOM 1023 CA ARG A 65 2.279 -10.186 -5.805 1.00 0.00 C ATOM 1024 C ARG A 65 0.883 -10.808 -5.871 1.00 0.00 C ATOM 1025 O ARG A 65 0.511 -11.400 -6.884 1.00 0.00 O ATOM 1026 CB ARG A 65 3.196 -11.093 -4.982 1.00 0.00 C ATOM 1027 CG ARG A 65 2.688 -12.536 -4.988 1.00 0.00 C ATOM 1028 CD ARG A 65 3.675 -13.467 -4.280 1.00 0.00 C ATOM 1029 NE ARG A 65 3.066 -14.803 -4.094 1.00 0.00 N ATOM 1030 CZ ARG A 65 3.729 -15.874 -3.637 1.00 0.00 C ATOM 1031 NH1 ARG A 65 5.026 -15.773 -3.317 1.00 0.00 N ATOM 1032 NH2 ARG A 65 3.094 -17.046 -3.500 1.00 0.00 N ATOM 0 H ARG A 65 2.649 -8.760 -4.315 1.00 0.00 H new ATOM 0 HA ARG A 65 2.687 -10.093 -6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.207 -11.058 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.251 -10.727 -3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.717 -12.586 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.541 -12.869 -6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.590 -13.554 -4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.954 -13.048 -3.313 1.00 0.00 H new ATOM 0 HE ARG A 65 2.080 -14.916 -4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.509 -14.881 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.530 -16.588 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.106 -17.123 -3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.598 -17.862 -3.152 1.00 0.00 H new ATOM 1046 N GLN A 66 0.149 -10.653 -4.780 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.198 -11.193 -4.701 1.00 0.00 C ATOM 1048 C GLN A 66 -2.132 -10.427 -5.640 1.00 0.00 C ATOM 1049 O GLN A 66 -2.903 -11.032 -6.384 1.00 0.00 O ATOM 1050 CB GLN A 66 -1.719 -11.160 -3.263 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.064 -12.255 -2.418 1.00 0.00 C ATOM 1052 CD GLN A 66 -1.435 -12.103 -0.941 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -0.877 -11.050 -0.349 1.00 0.00 O flip ATOM 1054 NE2 GLN A 66 -2.177 -12.889 -0.377 1.00 0.00 N flip ATOM 0 H GLN A 66 0.461 -10.161 -3.943 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.170 -12.235 -5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.516 -10.184 -2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -2.801 -11.292 -3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.380 -13.234 -2.777 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.019 -12.208 -2.531 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.571 -13.677 -0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.403 -12.759 0.609 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.033 -9.107 -5.575 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.860 -8.253 -6.410 1.00 0.00 C ATOM 1065 C TYR A 67 -2.791 -8.686 -7.876 1.00 0.00 C ATOM 1066 O TYR A 67 -3.689 -8.382 -8.659 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.277 -6.844 -6.278 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.805 -5.853 -7.318 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -2.417 -5.966 -8.638 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.668 -4.847 -6.936 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.913 -5.033 -9.616 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -4.164 -3.914 -7.914 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.763 -4.053 -9.206 1.00 0.00 C ATOM 1074 OH TYR A 67 -4.232 -3.172 -10.130 1.00 0.00 O ATOM 0 H TYR A 67 -1.393 -8.608 -4.957 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.903 -8.305 -6.099 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.499 -6.462 -5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.192 -6.901 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.742 -6.754 -8.937 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.972 -4.759 -5.903 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.617 -5.109 -10.652 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.839 -3.121 -7.628 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.829 -2.529 -9.695 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.716 -9.388 -8.202 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.518 -9.866 -9.560 1.00 0.00 C ATOM 1086 C LYS A 68 -2.484 -11.019 -9.836 1.00 0.00 C ATOM 1087 O LYS A 68 -3.416 -10.878 -10.626 1.00 0.00 O ATOM 1088 CB LYS A 68 -0.049 -10.225 -9.792 1.00 0.00 C ATOM 1089 CG LYS A 68 0.827 -8.970 -9.808 1.00 0.00 C ATOM 1090 CD LYS A 68 1.494 -8.784 -11.172 1.00 0.00 C ATOM 1091 CE LYS A 68 1.996 -7.349 -11.345 1.00 0.00 C ATOM 1092 NZ LYS A 68 3.340 -7.194 -10.746 1.00 0.00 N ATOM 0 H LYS A 68 -0.973 -9.637 -7.549 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.747 -9.079 -10.279 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.292 -10.901 -9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.054 -10.757 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.220 -8.096 -9.574 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.590 -9.045 -9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.328 -9.479 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.784 -9.023 -11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.032 -7.095 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.300 -6.655 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.666 -6.214 -10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.295 -7.416 -9.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.005 -7.843 -11.213 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.229 -12.136 -9.169 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.064 -13.313 -9.333 1.00 0.00 C ATOM 1108 C VAL A 69 -4.534 -12.914 -9.185 1.00 0.00 C ATOM 1109 O VAL A 69 -5.388 -13.390 -9.932 1.00 0.00 O ATOM 1110 CB VAL A 69 -2.637 -14.399 -8.344 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.114 -14.541 -8.309 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.195 -14.119 -6.947 1.00 0.00 C ATOM 0 H VAL A 69 -1.456 -12.250 -8.514 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.940 -13.734 -10.331 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.053 -15.346 -8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.837 -15.320 -7.598 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.751 -14.810 -9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.667 -13.595 -8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.877 -14.906 -6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.823 -13.158 -6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.284 -14.093 -6.989 1.00 0.00 H new ATOM 1122 N HIS A 70 -4.784 -12.045 -8.217 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.136 -11.577 -7.962 1.00 0.00 C ATOM 1124 C HIS A 70 -6.830 -11.266 -9.289 1.00 0.00 C ATOM 1125 O HIS A 70 -7.891 -11.816 -9.583 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.126 -10.384 -7.004 1.00 0.00 C ATOM 1127 CG HIS A 70 -5.758 -10.740 -5.583 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.077 -11.810 -5.080 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.099 -9.949 -4.500 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -5.005 -11.679 -3.761 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -5.639 -10.526 -3.399 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.073 -11.653 -7.600 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.709 -12.361 -7.467 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.422 -9.639 -7.375 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.112 -9.920 -7.008 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.647 -9.019 -4.544 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.524 -12.371 -3.086 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.741 -10.171 -2.448 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.204 -10.385 -10.056 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.748 -9.994 -11.345 1.00 0.00 C ATOM 1141 C LEU A 71 -7.188 -11.245 -12.108 1.00 0.00 C ATOM 1142 O LEU A 71 -8.298 -11.296 -12.636 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.746 -9.128 -12.110 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.394 -7.784 -11.468 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -4.165 -7.163 -12.135 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -6.596 -6.837 -11.486 1.00 0.00 C ATOM 0 H LEU A 71 -5.325 -9.931 -9.809 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.634 -9.373 -11.212 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.826 -9.699 -12.239 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.146 -8.939 -13.106 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.138 -7.961 -10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.936 -6.209 -11.660 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.314 -7.835 -12.027 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.368 -7.002 -13.194 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.319 -5.889 -11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.906 -6.662 -12.516 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.420 -7.285 -10.930 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.295 -12.223 -12.142 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.578 -13.471 -12.832 1.00 0.00 C ATOM 1160 C ASP A 72 -7.854 -14.089 -12.257 1.00 0.00 C ATOM 1161 O ASP A 72 -8.733 -14.515 -13.005 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.439 -14.475 -12.643 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.692 -14.854 -13.923 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -4.436 -13.930 -14.726 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -4.393 -16.059 -14.070 1.00 0.00 O ATOM 0 H ASP A 72 -5.375 -12.177 -11.703 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.692 -13.251 -13.893 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.724 -14.061 -11.932 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.845 -15.382 -12.195 1.00 0.00 H new ATOM 1170 N LEU A 73 -7.914 -14.119 -10.934 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.068 -14.678 -10.251 1.00 0.00 C ATOM 1172 C LEU A 73 -10.309 -13.851 -10.592 1.00 0.00 C ATOM 1173 O LEU A 73 -11.372 -14.405 -10.866 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.798 -14.791 -8.749 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.388 -15.232 -8.351 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.323 -15.585 -6.864 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -6.905 -16.384 -9.235 1.00 0.00 C ATOM 0 H LEU A 73 -7.183 -13.765 -10.317 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.258 -15.694 -10.595 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.997 -13.822 -8.291 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.511 -15.497 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.709 -14.395 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.310 -15.895 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.597 -14.713 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.016 -16.399 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.900 -16.679 -8.932 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.580 -17.233 -9.128 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.890 -16.062 -10.276 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.131 -12.538 -10.566 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.223 -11.629 -10.870 1.00 0.00 C ATOM 1191 C TRP A 74 -11.619 -11.838 -12.333 1.00 0.00 C ATOM 1192 O TRP A 74 -12.792 -11.722 -12.685 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.835 -10.183 -10.556 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.639 -9.140 -11.335 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.825 -8.604 -11.015 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.265 -8.524 -12.586 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.241 -7.693 -11.964 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.262 -7.642 -12.949 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.122 -8.707 -13.384 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.217 -6.873 -14.118 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.092 -7.931 -14.549 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.087 -7.039 -14.929 1.00 0.00 C ATOM 0 H TRP A 74 -9.247 -12.082 -10.339 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.088 -11.841 -10.242 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.967 -10.006 -9.489 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.776 -10.047 -10.773 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.385 -8.854 -10.126 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.108 -7.156 -11.946 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.330 -9.392 -13.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.010 -6.189 -14.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.235 -8.033 -15.198 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -10.990 -6.476 -15.846 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.618 -12.142 -13.146 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.847 -12.368 -14.563 1.00 0.00 C ATOM 1215 C VAL A 75 -11.736 -13.600 -14.741 1.00 0.00 C ATOM 1216 O VAL A 75 -12.748 -13.544 -15.438 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.509 -12.484 -15.297 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.706 -13.043 -16.708 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.786 -11.137 -15.336 1.00 0.00 C ATOM 0 H VAL A 75 -9.646 -12.237 -12.850 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.373 -11.522 -15.005 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.882 -13.183 -14.744 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.741 -13.116 -17.209 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.159 -14.033 -16.647 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.359 -12.379 -17.274 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.838 -11.248 -15.863 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.406 -10.406 -15.855 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.597 -10.796 -14.318 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.326 -14.684 -14.099 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.073 -15.928 -14.178 1.00 0.00 C ATOM 1231 C LYS A 76 -13.554 -15.646 -13.919 1.00 0.00 C ATOM 1232 O LYS A 76 -14.420 -16.396 -14.366 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.472 -16.974 -13.237 1.00 0.00 C ATOM 1234 CG LYS A 76 -10.100 -17.435 -13.734 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.338 -18.173 -12.632 1.00 0.00 C ATOM 1236 CE LYS A 76 -9.926 -19.565 -12.396 1.00 0.00 C ATOM 1237 NZ LYS A 76 -8.973 -20.611 -12.829 1.00 0.00 N ATOM 0 H LYS A 76 -10.486 -14.727 -13.522 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.000 -16.354 -15.179 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.378 -16.556 -12.235 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.143 -17.830 -13.163 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.223 -18.089 -14.597 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.521 -16.573 -14.067 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.287 -18.260 -12.908 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.378 -17.596 -11.708 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.160 -19.693 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.862 -19.668 -12.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.388 -21.550 -12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.770 -20.498 -13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.090 -20.522 -12.287 1.00 0.00 H new ATOM 1251 N SER A 77 -13.800 -14.562 -13.197 1.00 0.00 N ATOM 1252 CA SER A 77 -15.161 -14.172 -12.872 1.00 0.00 C ATOM 1253 C SER A 77 -15.758 -13.352 -14.019 1.00 0.00 C ATOM 1254 O SER A 77 -16.947 -13.465 -14.313 1.00 0.00 O ATOM 1255 CB SER A 77 -15.209 -13.373 -11.568 1.00 0.00 C ATOM 1256 OG SER A 77 -16.547 -13.126 -11.143 1.00 0.00 O ATOM 0 H SER A 77 -13.079 -13.942 -12.828 1.00 0.00 H new ATOM 0 HA SER A 77 -15.752 -15.077 -12.734 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.676 -13.918 -10.789 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.691 -12.424 -11.705 1.00 0.00 H new ATOM 0 HG SER A 77 -16.536 -12.615 -10.307 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.905 -12.547 -14.634 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.333 -11.709 -15.742 1.00 0.00 C ATOM 1264 C LEU A 78 -16.146 -12.550 -16.727 1.00 0.00 C ATOM 1265 O LEU A 78 -15.684 -13.593 -17.188 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.132 -11.007 -16.378 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.536 -9.843 -15.582 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.488 -9.094 -16.408 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.636 -8.911 -15.070 1.00 0.00 C ATOM 0 H LEU A 78 -13.920 -12.457 -14.387 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.987 -10.913 -15.387 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.349 -11.747 -16.543 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.431 -10.636 -17.358 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.026 -10.250 -14.709 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.080 -8.272 -15.819 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.684 -9.777 -16.682 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.952 -8.698 -17.312 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.187 -8.092 -14.508 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.194 -8.508 -15.915 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.312 -9.468 -14.422 1.00 0.00 H new ATOM 1281 N SER A 79 -17.343 -12.066 -17.022 1.00 0.00 N ATOM 1282 CA SER A 79 -18.225 -12.760 -17.945 1.00 0.00 C ATOM 1283 C SER A 79 -17.512 -12.988 -19.279 1.00 0.00 C ATOM 1284 O SER A 79 -16.369 -12.570 -19.455 1.00 0.00 O ATOM 1285 CB SER A 79 -19.522 -11.977 -18.163 1.00 0.00 C ATOM 1286 OG SER A 79 -19.602 -10.833 -17.318 1.00 0.00 O ATOM 0 H SER A 79 -17.723 -11.201 -16.638 1.00 0.00 H new ATOM 0 HA SER A 79 -18.484 -13.725 -17.509 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.586 -11.663 -19.205 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.375 -12.628 -17.973 1.00 0.00 H new ATOM 0 HG SER A 79 -19.063 -10.108 -17.697 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.236 -13.667 -20.209 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.684 -13.956 -21.522 1.00 0.00 C ATOM 1294 C PRO A 80 -17.671 -12.702 -22.399 1.00 0.00 C ATOM 1295 O PRO A 80 -17.015 -12.674 -23.439 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.562 -15.063 -22.083 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.844 -15.032 -21.267 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.593 -14.177 -20.036 1.00 0.00 C ATOM 0 HA PRO A 80 -16.642 -14.274 -21.480 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.768 -14.900 -23.141 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.070 -16.032 -22.000 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.662 -14.620 -21.857 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.137 -16.041 -20.977 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.315 -13.364 -19.965 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.682 -14.764 -19.122 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.404 -11.695 -21.946 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.485 -10.441 -22.676 1.00 0.00 C ATOM 1308 C GLN A 81 -17.448 -9.449 -22.144 1.00 0.00 C ATOM 1309 O GLN A 81 -16.819 -8.728 -22.917 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.895 -9.853 -22.602 1.00 0.00 C ATOM 1311 CG GLN A 81 -20.925 -10.823 -23.185 1.00 0.00 C ATOM 1312 CD GLN A 81 -22.281 -10.665 -22.493 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -22.673 -9.586 -22.079 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -22.971 -11.797 -22.391 1.00 0.00 N ATOM 0 H GLN A 81 -18.947 -11.722 -21.083 1.00 0.00 H new ATOM 0 HA GLN A 81 -18.265 -10.639 -23.725 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.146 -9.630 -21.565 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.929 -8.910 -23.148 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -21.035 -10.642 -24.254 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -20.571 -11.847 -23.070 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.583 -12.666 -22.759 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.888 -11.797 -21.944 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.303 -9.444 -20.827 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.354 -8.553 -20.183 1.00 0.00 C ATOM 1325 C ASP A 82 -14.930 -9.028 -20.481 1.00 0.00 C ATOM 1326 O ASP A 82 -14.123 -8.278 -21.028 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.543 -8.551 -18.664 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.730 -7.727 -18.162 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -17.652 -6.485 -18.287 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -18.688 -8.356 -17.664 1.00 0.00 O ATOM 0 H ASP A 82 -17.827 -10.043 -20.189 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.521 -7.547 -20.569 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.666 -9.580 -18.327 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.633 -8.170 -18.200 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.666 -10.272 -20.109 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.354 -10.856 -20.330 1.00 0.00 C ATOM 1337 C ARG A 83 -12.928 -10.669 -21.787 1.00 0.00 C ATOM 1338 O ARG A 83 -11.758 -10.418 -22.069 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.352 -12.348 -19.992 1.00 0.00 C ATOM 1340 CG ARG A 83 -12.010 -12.773 -19.392 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.167 -14.025 -18.527 1.00 0.00 C ATOM 1342 NE ARG A 83 -11.262 -15.091 -19.009 1.00 0.00 N ATOM 1343 CZ ARG A 83 -11.544 -15.911 -20.031 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -12.708 -15.792 -20.683 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -10.662 -16.850 -20.399 1.00 0.00 N ATOM 0 H ARG A 83 -15.338 -10.891 -19.656 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.649 -10.345 -19.674 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.155 -12.566 -19.287 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.552 -12.929 -20.892 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.295 -12.967 -20.192 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.603 -11.960 -18.791 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.942 -13.789 -17.487 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -13.200 -14.372 -18.559 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.367 -15.210 -18.534 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.379 -15.078 -20.402 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.923 -16.416 -21.461 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.776 -16.941 -19.901 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.876 -17.474 -21.177 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.902 -10.800 -22.676 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.643 -10.648 -24.098 1.00 0.00 C ATOM 1361 C ALA A 84 -12.950 -9.307 -24.346 1.00 0.00 C ATOM 1362 O ALA A 84 -12.160 -9.176 -25.279 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.956 -10.778 -24.873 1.00 0.00 C ATOM 0 H ALA A 84 -14.872 -11.010 -22.439 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.976 -11.434 -24.452 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.762 -10.664 -25.939 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.393 -11.759 -24.687 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.650 -10.004 -24.546 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.271 -8.345 -23.493 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.689 -7.019 -23.608 1.00 0.00 C ATOM 1371 C ALA A 85 -11.337 -6.996 -22.892 1.00 0.00 C ATOM 1372 O ALA A 85 -10.304 -6.757 -23.516 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.665 -5.983 -23.045 1.00 0.00 C ATOM 0 H ALA A 85 -13.926 -8.458 -22.720 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.512 -6.767 -24.654 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.229 -4.988 -23.131 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.599 -6.020 -23.606 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.864 -6.203 -21.996 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.388 -7.247 -21.592 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.180 -7.258 -20.784 1.00 0.00 C ATOM 1381 C TYR A 86 -9.009 -7.866 -21.558 1.00 0.00 C ATOM 1382 O TYR A 86 -7.931 -7.276 -21.624 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.490 -8.143 -19.575 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.253 -8.564 -18.779 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.558 -9.702 -19.135 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.832 -7.807 -17.705 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.394 -10.099 -18.386 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.668 -8.203 -16.956 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.006 -9.330 -17.334 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.907 -9.704 -16.626 1.00 0.00 O ATOM 0 H TYR A 86 -12.247 -7.444 -21.078 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.899 -6.244 -20.499 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.172 -7.610 -18.912 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -11.012 -9.037 -19.916 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.887 -10.295 -19.976 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.376 -6.917 -17.426 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.842 -10.988 -18.654 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.328 -7.619 -16.114 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.748 -9.060 -15.904 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.259 -9.037 -22.125 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.238 -9.731 -22.892 1.00 0.00 C ATOM 1402 C LYS A 87 -7.755 -8.825 -24.027 1.00 0.00 C ATOM 1403 O LYS A 87 -6.553 -8.675 -24.237 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.756 -11.089 -23.368 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.932 -12.231 -22.769 1.00 0.00 C ATOM 1406 CD LYS A 87 -7.277 -13.069 -23.868 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.212 -14.001 -23.286 1.00 0.00 C ATOM 1408 NZ LYS A 87 -6.114 -15.241 -24.088 1.00 0.00 N ATOM 0 H LYS A 87 -10.154 -9.523 -22.069 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.373 -9.948 -22.266 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.802 -11.203 -23.084 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.714 -11.137 -24.456 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.164 -11.824 -22.111 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.573 -12.865 -22.157 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.037 -13.656 -24.384 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.824 -12.412 -24.610 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.247 -13.495 -23.269 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.461 -14.247 -22.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.387 -15.862 -23.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.031 -15.731 -24.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.855 -15.002 -25.066 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.718 -8.244 -24.728 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.406 -7.357 -25.835 1.00 0.00 C ATOM 1424 C GLU A 88 -7.190 -6.493 -25.497 1.00 0.00 C ATOM 1425 O GLU A 88 -6.308 -6.302 -26.333 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.612 -6.488 -26.198 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.462 -5.076 -25.629 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.712 -4.238 -25.904 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -11.802 -4.697 -25.500 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -10.549 -3.158 -26.511 1.00 0.00 O ATOM 0 H GLU A 88 -9.714 -8.371 -24.550 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.163 -7.966 -26.706 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.715 -6.438 -27.282 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.523 -6.945 -25.812 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.285 -5.130 -24.555 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.591 -4.592 -26.072 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.181 -5.993 -24.270 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.088 -5.154 -23.811 1.00 0.00 C ATOM 1439 C TYR A 89 -4.853 -5.995 -23.480 1.00 0.00 C ATOM 1440 O TYR A 89 -3.727 -5.586 -23.759 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.585 -4.475 -22.533 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.467 -4.048 -21.580 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -4.784 -2.870 -21.801 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.142 -4.842 -20.498 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -3.731 -2.468 -20.904 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.090 -4.440 -19.601 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.436 -3.273 -19.848 1.00 0.00 C ATOM 1448 OH TYR A 89 -2.443 -2.894 -19.001 1.00 0.00 O ATOM 0 H TYR A 89 -7.914 -6.153 -23.579 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.805 -4.438 -24.582 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.172 -3.597 -22.805 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.255 -5.157 -22.009 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.039 -2.249 -22.647 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.677 -5.764 -20.325 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.188 -1.549 -21.066 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.826 -5.051 -18.751 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.343 -3.564 -18.293 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.106 -7.154 -22.890 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.029 -8.055 -22.519 1.00 0.00 C ATOM 1460 C ILE A 90 -3.160 -8.338 -23.746 1.00 0.00 C ATOM 1461 O ILE A 90 -1.994 -7.949 -23.788 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.590 -9.317 -21.859 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.406 -8.967 -20.613 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.474 -10.317 -21.550 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.491 -8.612 -19.439 1.00 0.00 C ATOM 0 H ILE A 90 -6.041 -7.490 -22.660 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.385 -7.591 -21.772 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.268 -9.798 -22.564 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.066 -8.128 -20.831 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.041 -9.810 -20.341 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.900 -11.204 -21.082 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.973 -10.600 -22.476 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.753 -9.860 -20.872 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.097 -8.367 -18.567 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.849 -9.462 -19.208 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.875 -7.753 -19.705 1.00 0.00 H new ATOM 1477 N SER A 91 -3.761 -9.013 -24.714 1.00 0.00 N ATOM 1478 CA SER A 91 -3.057 -9.353 -25.939 1.00 0.00 C ATOM 1479 C SER A 91 -2.217 -8.162 -26.407 1.00 0.00 C ATOM 1480 O SER A 91 -1.002 -8.277 -26.559 1.00 0.00 O ATOM 1481 CB SER A 91 -4.034 -9.777 -27.037 1.00 0.00 C ATOM 1482 OG SER A 91 -3.388 -9.928 -28.298 1.00 0.00 O ATOM 0 H SER A 91 -4.728 -9.334 -24.675 1.00 0.00 H new ATOM 0 HA SER A 91 -2.398 -10.196 -25.732 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.507 -10.718 -26.757 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.827 -9.034 -27.123 1.00 0.00 H new ATOM 0 HG SER A 91 -4.045 -10.201 -28.972 1.00 0.00 H new ATOM 1488 N ASN A 92 -2.899 -7.046 -26.622 1.00 0.00 N ATOM 1489 CA ASN A 92 -2.231 -5.836 -27.069 1.00 0.00 C ATOM 1490 C ASN A 92 -0.927 -5.660 -26.288 1.00 0.00 C ATOM 1491 O ASN A 92 0.134 -5.464 -26.879 1.00 0.00 O ATOM 1492 CB ASN A 92 -3.101 -4.603 -26.820 1.00 0.00 C ATOM 1493 CG ASN A 92 -4.011 -4.323 -28.018 1.00 0.00 C ATOM 1494 OD1 ASN A 92 -3.583 -4.281 -29.159 1.00 0.00 O ATOM 1495 ND2 ASN A 92 -5.288 -4.136 -27.695 1.00 0.00 N ATOM 0 H ASN A 92 -3.907 -6.955 -26.495 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.039 -5.932 -28.138 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.707 -4.755 -25.927 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.466 -3.738 -26.631 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.975 -3.944 -28.424 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -5.580 -4.185 -26.719 1.00 0.00 H new ATOM 1502 N LYS A 93 -1.049 -5.736 -24.971 1.00 0.00 N ATOM 1503 CA LYS A 93 0.107 -5.588 -24.102 1.00 0.00 C ATOM 1504 C LYS A 93 0.777 -6.951 -23.915 1.00 0.00 C ATOM 1505 O LYS A 93 0.399 -7.926 -24.561 1.00 0.00 O ATOM 1506 CB LYS A 93 -0.293 -4.913 -22.789 1.00 0.00 C ATOM 1507 CG LYS A 93 0.305 -3.508 -22.690 1.00 0.00 C ATOM 1508 CD LYS A 93 -0.640 -2.561 -21.946 1.00 0.00 C ATOM 1509 CE LYS A 93 -0.750 -1.217 -22.669 1.00 0.00 C ATOM 1510 NZ LYS A 93 -0.868 -0.112 -21.692 1.00 0.00 N ATOM 0 H LYS A 93 -1.931 -5.898 -24.484 1.00 0.00 H new ATOM 0 HA LYS A 93 0.846 -4.930 -24.559 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.379 -4.855 -22.722 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.047 -5.517 -21.947 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.263 -3.552 -22.172 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.501 -3.121 -23.690 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.627 -3.016 -21.865 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.277 -2.403 -20.930 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.127 -1.063 -23.298 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.618 -1.222 -23.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.160 0.757 -22.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.578 -0.358 -20.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.051 0.044 -21.231 1.00 0.00 H new ATOM 1524 N ARG A 94 1.760 -6.974 -23.027 1.00 0.00 N ATOM 1525 CA ARG A 94 2.486 -8.200 -22.746 1.00 0.00 C ATOM 1526 C ARG A 94 2.897 -8.885 -24.051 1.00 0.00 C ATOM 1527 O ARG A 94 2.685 -8.342 -25.134 1.00 0.00 O ATOM 1528 CB ARG A 94 1.636 -9.166 -21.917 1.00 0.00 C ATOM 1529 CG ARG A 94 1.340 -8.586 -20.533 1.00 0.00 C ATOM 1530 CD ARG A 94 2.004 -9.422 -19.435 1.00 0.00 C ATOM 1531 NE ARG A 94 2.557 -8.534 -18.388 1.00 0.00 N ATOM 1532 CZ ARG A 94 2.864 -8.937 -17.148 1.00 0.00 C ATOM 1533 NH1 ARG A 94 2.675 -10.214 -16.792 1.00 0.00 N ATOM 1534 NH2 ARG A 94 3.362 -8.061 -16.263 1.00 0.00 N ATOM 0 H ARG A 94 2.071 -6.163 -22.493 1.00 0.00 H new ATOM 0 HA ARG A 94 3.376 -7.935 -22.175 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.700 -9.371 -22.437 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.158 -10.117 -21.813 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.700 -7.558 -20.481 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.263 -8.555 -20.370 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.277 -10.106 -18.997 1.00 0.00 H new ATOM 0 HD3 ARG A 94 2.799 -10.033 -19.862 1.00 0.00 H new ATOM 0 HE ARG A 94 2.714 -7.555 -18.625 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.297 -10.881 -17.465 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.909 -10.520 -15.848 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.507 -7.088 -16.534 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.596 -8.367 -15.319 1.00 0.00 H new ATOM 1548 N LYS A 95 3.478 -10.066 -23.905 1.00 0.00 N ATOM 1549 CA LYS A 95 3.921 -10.831 -25.059 1.00 0.00 C ATOM 1550 C LYS A 95 2.703 -11.422 -25.771 1.00 0.00 C ATOM 1551 O LYS A 95 1.704 -11.750 -25.132 1.00 0.00 O ATOM 1552 CB LYS A 95 4.958 -11.876 -24.643 1.00 0.00 C ATOM 1553 CG LYS A 95 6.196 -11.806 -25.540 1.00 0.00 C ATOM 1554 CD LYS A 95 6.844 -13.184 -25.689 1.00 0.00 C ATOM 1555 CE LYS A 95 7.172 -13.481 -27.153 1.00 0.00 C ATOM 1556 NZ LYS A 95 6.737 -14.848 -27.515 1.00 0.00 N ATOM 0 H LYS A 95 3.653 -10.513 -23.005 1.00 0.00 H new ATOM 0 HA LYS A 95 4.426 -10.183 -25.775 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.247 -11.714 -23.605 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.519 -12.872 -24.700 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.917 -11.423 -26.522 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.916 -11.105 -25.118 1.00 0.00 H new ATOM 0 HD2 LYS A 95 7.755 -13.227 -25.093 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.172 -13.949 -25.301 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.678 -12.753 -27.797 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.244 -13.378 -27.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.236 -14.823 -28.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.569 -15.467 -27.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.100 -15.216 -26.779 1.00 0.00 H new ATOM 1570 N SER A 96 2.825 -11.541 -27.085 1.00 0.00 N ATOM 1571 CA SER A 96 1.747 -12.088 -27.890 1.00 0.00 C ATOM 1572 C SER A 96 2.322 -12.903 -29.051 1.00 0.00 C ATOM 1573 O SER A 96 1.942 -14.055 -29.253 1.00 0.00 O ATOM 1574 CB SER A 96 0.838 -10.977 -28.421 1.00 0.00 C ATOM 1575 OG SER A 96 -0.024 -11.441 -29.456 1.00 0.00 O ATOM 0 H SER A 96 3.654 -11.268 -27.612 1.00 0.00 H new ATOM 0 HA SER A 96 1.146 -12.742 -27.258 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.239 -10.577 -27.603 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.450 -10.158 -28.799 1.00 0.00 H new ATOM 0 HG SER A 96 -0.589 -10.703 -29.767 1.00 0.00 H new ATOM 1581 N GLY A 97 3.229 -12.272 -29.783 1.00 0.00 N ATOM 1582 CA GLY A 97 3.860 -12.924 -30.917 1.00 0.00 C ATOM 1583 C GLY A 97 4.549 -14.222 -30.491 1.00 0.00 C ATOM 1584 O GLY A 97 5.431 -14.208 -29.634 1.00 0.00 O ATOM 0 H GLY A 97 3.541 -11.316 -29.612 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.112 -13.139 -31.680 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.590 -12.252 -31.367 1.00 0.00 H new ATOM 1588 N PRO A 98 4.108 -15.342 -31.124 1.00 0.00 N ATOM 1589 CA PRO A 98 4.673 -16.645 -30.819 1.00 0.00 C ATOM 1590 C PRO A 98 6.063 -16.800 -31.439 1.00 0.00 C ATOM 1591 O PRO A 98 6.601 -15.852 -32.009 1.00 0.00 O ATOM 1592 CB PRO A 98 3.666 -17.647 -31.362 1.00 0.00 C ATOM 1593 CG PRO A 98 2.809 -16.880 -32.356 1.00 0.00 C ATOM 1594 CD PRO A 98 3.065 -15.396 -32.144 1.00 0.00 C ATOM 0 HA PRO A 98 4.830 -16.795 -29.751 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.170 -18.484 -31.845 1.00 0.00 H new ATOM 0 HB3 PRO A 98 3.056 -18.062 -30.559 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.058 -17.168 -33.377 1.00 0.00 H new ATOM 0 HG3 PRO A 98 1.754 -17.110 -32.208 1.00 0.00 H new ATOM 0 HD2 PRO A 98 3.388 -14.914 -33.067 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.162 -14.881 -31.815 1.00 0.00 H new ATOM 1602 N SER A 99 6.605 -18.001 -31.306 1.00 0.00 N ATOM 1603 CA SER A 99 7.922 -18.292 -31.846 1.00 0.00 C ATOM 1604 C SER A 99 7.920 -19.667 -32.518 1.00 0.00 C ATOM 1605 O SER A 99 7.023 -20.475 -32.285 1.00 0.00 O ATOM 1606 CB SER A 99 8.990 -18.238 -30.752 1.00 0.00 C ATOM 1607 OG SER A 99 9.988 -17.259 -31.029 1.00 0.00 O ATOM 0 H SER A 99 6.156 -18.785 -30.832 1.00 0.00 H new ATOM 0 HA SER A 99 8.163 -17.532 -32.589 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.518 -18.014 -29.795 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.459 -19.217 -30.655 1.00 0.00 H new ATOM 0 HG SER A 99 10.651 -17.254 -30.307 1.00 0.00 H new ATOM 1613 N SER A 100 8.936 -19.889 -33.340 1.00 0.00 N ATOM 1614 CA SER A 100 9.063 -21.152 -34.047 1.00 0.00 C ATOM 1615 C SER A 100 10.259 -21.938 -33.505 1.00 0.00 C ATOM 1616 O SER A 100 11.043 -21.414 -32.716 1.00 0.00 O ATOM 1617 CB SER A 100 9.214 -20.927 -35.553 1.00 0.00 C ATOM 1618 OG SER A 100 8.420 -21.835 -36.311 1.00 0.00 O ATOM 0 H SER A 100 9.678 -19.216 -33.532 1.00 0.00 H new ATOM 0 HA SER A 100 8.153 -21.729 -33.882 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.928 -19.904 -35.797 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.261 -21.040 -35.833 1.00 0.00 H new ATOM 0 HG SER A 100 8.543 -21.658 -37.267 1.00 0.00 H new ATOM 1624 N GLY A 101 10.360 -23.181 -33.951 1.00 0.00 N ATOM 1625 CA GLY A 101 11.446 -24.044 -33.520 1.00 0.00 C ATOM 1626 C GLY A 101 10.910 -25.289 -32.810 1.00 0.00 C ATOM 1627 O GLY A 101 11.675 -26.186 -32.460 1.00 0.00 O ATOM 0 H GLY A 101 9.708 -23.611 -34.607 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.043 -24.342 -34.382 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.107 -23.495 -32.849 1.00 0.00 H new TER 1631 GLY A 101