USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 HIS : no HD1:sc= -1.32 K(o=-0.99,f=-0.44) USER MOD Set 1.2: A 57 TYR OH : rot 1:sc= 0.331 USER MOD Set 2.1: A 13 SER OG : rot -179:sc= 0.922 USER MOD Set 2.2: A 15 SER OG : rot -60:sc= 0.95 USER MOD Set 3.1: A 12 MET CE :methyl -130:sc= -1.22 (180deg=-4.16!) USER MOD Set 3.2: A 20 GLN : amide:sc= -0.751 X(o=-2,f=-1.5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.121 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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+ 139:sc= -0.588 (180deg=-2.72!) USER MOD Single : A 10 LYS NZ :NH3+ -165:sc=-0.00141 (180deg=-0.0842) USER MOD Single : A 25 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.94) USER MOD Single : A 30 ASN : amide:sc= 0.0601 X(o=0.06,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00266 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 80:sc= 0.521 USER MOD Single : A 41 GLN : amide:sc= -1.03 X(o=-1,f=-1.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -46:sc= 1.12 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -113:sc= 0.337 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 70:sc= 0.435 USER MOD Single : A 69 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.27) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 72 MET CE :methyl -143:sc= -0.0823 (180deg=-0.386) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.55! C(o=-1.6!,f=-2.8!) USER MOD Single : A 82 MET CE :methyl 179:sc= -0.325 (180deg=-0.34) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.354 -3.122 -20.238 1.00 0.00 N ATOM 2 CA GLY A 1 -9.160 -2.499 -19.696 1.00 0.00 C ATOM 3 C GLY A 1 -8.804 -1.209 -20.409 1.00 0.00 C ATOM 4 O GLY A 1 -8.079 -1.221 -21.403 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.555 -3.999 -19.717 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.159 -2.471 -20.143 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.205 -3.343 -21.243 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.310 -2.295 -18.636 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.324 -3.195 -19.772 1.00 0.00 H new ATOM 8 N SER A 2 -9.317 -0.094 -19.900 1.00 0.00 N ATOM 9 CA SER A 2 -9.054 1.210 -20.498 1.00 0.00 C ATOM 10 C SER A 2 -7.630 1.282 -21.040 1.00 0.00 C ATOM 11 O SER A 2 -7.414 1.595 -22.211 1.00 0.00 O ATOM 12 CB SER A 2 -9.277 2.321 -19.469 1.00 0.00 C ATOM 13 OG SER A 2 -8.471 2.122 -18.321 1.00 0.00 O ATOM 0 H SER A 2 -9.917 -0.067 -19.075 1.00 0.00 H new ATOM 0 HA SER A 2 -9.747 1.348 -21.328 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.045 3.287 -19.917 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.328 2.347 -19.180 1.00 0.00 H new ATOM 0 HG SER A 2 -8.631 2.846 -17.680 1.00 0.00 H new ATOM 19 N SER A 3 -6.660 0.990 -20.178 1.00 0.00 N ATOM 20 CA SER A 3 -5.256 1.025 -20.568 1.00 0.00 C ATOM 21 C SER A 3 -4.741 -0.379 -20.873 1.00 0.00 C ATOM 22 O SER A 3 -4.056 -0.598 -21.871 1.00 0.00 O ATOM 23 CB SER A 3 -4.413 1.660 -19.460 1.00 0.00 C ATOM 24 OG SER A 3 -3.054 1.761 -19.848 1.00 0.00 O ATOM 0 H SER A 3 -6.821 0.727 -19.206 1.00 0.00 H new ATOM 0 HA SER A 3 -5.171 1.629 -21.472 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.802 2.651 -19.225 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.492 1.063 -18.551 1.00 0.00 H new ATOM 0 HG SER A 3 -2.537 2.171 -19.124 1.00 0.00 H new ATOM 30 N GLY A 4 -5.078 -1.327 -20.003 1.00 0.00 N ATOM 31 CA GLY A 4 -4.642 -2.698 -20.196 1.00 0.00 C ATOM 32 C GLY A 4 -4.630 -3.489 -18.903 1.00 0.00 C ATOM 33 O GLY A 4 -3.660 -4.184 -18.601 1.00 0.00 O ATOM 0 H GLY A 4 -5.644 -1.170 -19.169 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.301 -3.188 -20.912 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.642 -2.701 -20.629 1.00 0.00 H new ATOM 37 N SER A 5 -5.711 -3.384 -18.137 1.00 0.00 N ATOM 38 CA SER A 5 -5.820 -4.091 -16.866 1.00 0.00 C ATOM 39 C SER A 5 -5.552 -5.582 -17.050 1.00 0.00 C ATOM 40 O SER A 5 -6.337 -6.292 -17.677 1.00 0.00 O ATOM 41 CB SER A 5 -7.208 -3.882 -16.258 1.00 0.00 C ATOM 42 OG SER A 5 -7.337 -4.578 -15.031 1.00 0.00 O ATOM 0 H SER A 5 -6.524 -2.816 -18.374 1.00 0.00 H new ATOM 0 HA SER A 5 -5.070 -3.685 -16.187 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.381 -2.818 -16.096 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.970 -4.226 -16.957 1.00 0.00 H new ATOM 0 HG SER A 5 -8.232 -4.427 -14.662 1.00 0.00 H new ATOM 48 N SER A 6 -4.437 -6.049 -16.498 1.00 0.00 N ATOM 49 CA SER A 6 -4.062 -7.454 -16.603 1.00 0.00 C ATOM 50 C SER A 6 -4.036 -8.114 -15.228 1.00 0.00 C ATOM 51 O SER A 6 -2.970 -8.370 -14.670 1.00 0.00 O ATOM 52 CB SER A 6 -2.693 -7.590 -17.273 1.00 0.00 C ATOM 53 OG SER A 6 -2.799 -7.468 -18.681 1.00 0.00 O ATOM 0 H SER A 6 -3.777 -5.475 -15.973 1.00 0.00 H new ATOM 0 HA SER A 6 -4.810 -7.959 -17.215 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.019 -6.825 -16.888 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.256 -8.556 -17.021 1.00 0.00 H new ATOM 0 HG SER A 6 -1.911 -7.557 -19.085 1.00 0.00 H new ATOM 59 N GLY A 7 -5.219 -8.387 -14.687 1.00 0.00 N ATOM 60 CA GLY A 7 -5.311 -9.014 -13.381 1.00 0.00 C ATOM 61 C GLY A 7 -4.738 -8.146 -12.279 1.00 0.00 C ATOM 62 O GLY A 7 -5.461 -7.371 -11.652 1.00 0.00 O ATOM 0 H GLY A 7 -6.116 -8.185 -15.130 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.355 -9.234 -13.160 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.782 -9.967 -13.401 1.00 0.00 H new ATOM 66 N ILE A 8 -3.437 -8.276 -12.041 1.00 0.00 N ATOM 67 CA ILE A 8 -2.769 -7.497 -11.006 1.00 0.00 C ATOM 68 C ILE A 8 -3.089 -6.013 -11.143 1.00 0.00 C ATOM 69 O ILE A 8 -2.970 -5.437 -12.224 1.00 0.00 O ATOM 70 CB ILE A 8 -1.241 -7.688 -11.057 1.00 0.00 C ATOM 71 CG1 ILE A 8 -0.886 -9.170 -10.918 1.00 0.00 C ATOM 72 CG2 ILE A 8 -0.569 -6.872 -9.963 1.00 0.00 C ATOM 73 CD1 ILE A 8 0.480 -9.517 -11.468 1.00 0.00 C ATOM 0 H ILE A 8 -2.825 -8.913 -12.551 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.141 -7.859 -10.048 1.00 0.00 H new ATOM 0 HB ILE A 8 -0.877 -7.335 -12.022 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.926 -9.448 -9.865 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.639 -9.766 -11.434 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.510 -7.017 -10.012 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.800 -5.816 -10.103 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.935 -7.197 -8.989 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.665 -10.583 -11.336 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.518 -9.271 -12.529 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.242 -8.948 -10.936 1.00 0.00 H new ATOM 85 N LYS A 9 -3.495 -5.397 -10.037 1.00 0.00 N ATOM 86 CA LYS A 9 -3.830 -3.978 -10.031 1.00 0.00 C ATOM 87 C LYS A 9 -2.701 -3.155 -9.418 1.00 0.00 C ATOM 88 O LYS A 9 -2.232 -3.447 -8.318 1.00 0.00 O ATOM 89 CB LYS A 9 -5.127 -3.742 -9.253 1.00 0.00 C ATOM 90 CG LYS A 9 -5.911 -2.532 -9.730 1.00 0.00 C ATOM 91 CD LYS A 9 -6.902 -2.060 -8.679 1.00 0.00 C ATOM 92 CE LYS A 9 -8.135 -2.948 -8.636 1.00 0.00 C ATOM 93 NZ LYS A 9 -7.858 -4.252 -7.973 1.00 0.00 N ATOM 0 H LYS A 9 -3.600 -5.859 -9.134 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.970 -3.659 -11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.757 -4.628 -9.336 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.889 -3.617 -8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.222 -1.723 -9.971 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.444 -2.781 -10.648 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.422 -2.055 -7.701 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.199 -1.033 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.935 -2.433 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.490 -3.125 -9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.659 -4.507 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.727 -4.988 -8.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.995 -4.173 -7.399 1.00 0.00 H new ATOM 107 N LYS A 10 -2.270 -2.124 -10.137 1.00 0.00 N ATOM 108 CA LYS A 10 -1.198 -1.256 -9.664 1.00 0.00 C ATOM 109 C LYS A 10 -1.724 -0.243 -8.652 1.00 0.00 C ATOM 110 O LYS A 10 -2.843 0.258 -8.764 1.00 0.00 O ATOM 111 CB LYS A 10 -0.547 -0.527 -10.841 1.00 0.00 C ATOM 112 CG LYS A 10 -1.516 0.333 -11.634 1.00 0.00 C ATOM 113 CD LYS A 10 -1.613 1.737 -11.061 1.00 0.00 C ATOM 114 CE LYS A 10 -1.938 2.758 -12.141 1.00 0.00 C ATOM 115 NZ LYS A 10 -0.768 3.028 -13.020 1.00 0.00 N ATOM 0 H LYS A 10 -2.647 -1.869 -11.050 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.451 -1.879 -9.173 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.261 0.102 -10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.096 -1.262 -11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.191 0.385 -12.673 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.502 -0.131 -11.631 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.383 1.764 -10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.671 2.001 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.770 2.395 -12.745 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.264 3.688 -11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.939 3.894 -13.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.084 3.151 -12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.630 2.228 -13.669 1.00 0.00 H new ATOM 129 N PRO A 11 -0.899 0.069 -7.642 1.00 0.00 N ATOM 130 CA PRO A 11 -1.260 1.027 -6.592 1.00 0.00 C ATOM 131 C PRO A 11 -1.324 2.459 -7.112 1.00 0.00 C ATOM 132 O PRO A 11 -1.367 2.690 -8.320 1.00 0.00 O ATOM 133 CB PRO A 11 -0.129 0.878 -5.572 1.00 0.00 C ATOM 134 CG PRO A 11 1.030 0.376 -6.362 1.00 0.00 C ATOM 135 CD PRO A 11 0.449 -0.489 -7.446 1.00 0.00 C ATOM 0 HA PRO A 11 -2.250 0.829 -6.182 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.101 1.830 -5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.400 0.180 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.600 1.202 -6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.714 -0.194 -5.733 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.041 -0.440 -8.360 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.411 -1.536 -7.147 1.00 0.00 H new ATOM 143 N MET A 12 -1.328 3.418 -6.192 1.00 0.00 N ATOM 144 CA MET A 12 -1.385 4.828 -6.558 1.00 0.00 C ATOM 145 C MET A 12 0.012 5.374 -6.838 1.00 0.00 C ATOM 146 O MET A 12 1.001 4.646 -6.753 1.00 0.00 O ATOM 147 CB MET A 12 -2.049 5.641 -5.445 1.00 0.00 C ATOM 148 CG MET A 12 -3.567 5.662 -5.531 1.00 0.00 C ATOM 149 SD MET A 12 -4.347 6.026 -3.947 1.00 0.00 S ATOM 150 CE MET A 12 -3.969 7.769 -3.777 1.00 0.00 C ATOM 0 H MET A 12 -1.292 3.244 -5.188 1.00 0.00 H new ATOM 0 HA MET A 12 -1.980 4.917 -7.467 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.754 5.230 -4.480 1.00 0.00 H new ATOM 0 HB3 MET A 12 -1.677 6.665 -5.482 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.875 6.408 -6.263 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.920 4.696 -5.892 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.540 7.954 -2.792 1.00 0.00 H new ATOM 0 HE2 MET A 12 -3.254 8.063 -4.545 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.883 8.352 -3.890 1.00 0.00 H new ATOM 160 N SER A 13 0.085 6.659 -7.171 1.00 0.00 N ATOM 161 CA SER A 13 1.361 7.300 -7.467 1.00 0.00 C ATOM 162 C SER A 13 1.361 8.752 -6.997 1.00 0.00 C ATOM 163 O SER A 13 0.366 9.243 -6.465 1.00 0.00 O ATOM 164 CB SER A 13 1.652 7.238 -8.968 1.00 0.00 C ATOM 165 OG SER A 13 0.596 7.817 -9.716 1.00 0.00 O ATOM 0 H SER A 13 -0.724 7.276 -7.243 1.00 0.00 H new ATOM 0 HA SER A 13 2.143 6.762 -6.931 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.584 7.761 -9.183 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.791 6.201 -9.272 1.00 0.00 H new ATOM 0 HG SER A 13 0.799 7.752 -10.673 1.00 0.00 H new ATOM 171 N ALA A 14 2.484 9.433 -7.199 1.00 0.00 N ATOM 172 CA ALA A 14 2.614 10.828 -6.799 1.00 0.00 C ATOM 173 C ALA A 14 1.592 11.703 -7.517 1.00 0.00 C ATOM 174 O ALA A 14 1.360 12.848 -7.130 1.00 0.00 O ATOM 175 CB ALA A 14 4.025 11.327 -7.074 1.00 0.00 C ATOM 0 H ALA A 14 3.317 9.041 -7.638 1.00 0.00 H new ATOM 0 HA ALA A 14 2.420 10.892 -5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.108 12.371 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.739 10.727 -6.510 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.240 11.241 -8.139 1.00 0.00 H new ATOM 181 N SER A 15 0.985 11.156 -8.565 1.00 0.00 N ATOM 182 CA SER A 15 -0.009 11.889 -9.341 1.00 0.00 C ATOM 183 C SER A 15 -1.398 11.732 -8.730 1.00 0.00 C ATOM 184 O SER A 15 -2.350 12.390 -9.148 1.00 0.00 O ATOM 185 CB SER A 15 -0.018 11.399 -10.790 1.00 0.00 C ATOM 186 OG SER A 15 -0.392 10.034 -10.865 1.00 0.00 O ATOM 0 H SER A 15 1.164 10.208 -8.896 1.00 0.00 H new ATOM 0 HA SER A 15 0.259 12.945 -9.324 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.711 12.002 -11.377 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.971 11.533 -11.229 1.00 0.00 H new ATOM 0 HG SER A 15 0.245 9.492 -10.354 1.00 0.00 H new ATOM 192 N ALA A 16 -1.505 10.854 -7.738 1.00 0.00 N ATOM 193 CA ALA A 16 -2.777 10.610 -7.067 1.00 0.00 C ATOM 194 C ALA A 16 -2.772 11.188 -5.656 1.00 0.00 C ATOM 195 O ALA A 16 -3.676 11.934 -5.276 1.00 0.00 O ATOM 196 CB ALA A 16 -3.076 9.119 -7.028 1.00 0.00 C ATOM 0 H ALA A 16 -0.727 10.300 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.561 11.111 -7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.028 8.952 -6.524 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.131 8.732 -8.046 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.283 8.603 -6.486 1.00 0.00 H new ATOM 202 N LEU A 17 -1.750 10.838 -4.882 1.00 0.00 N ATOM 203 CA LEU A 17 -1.628 11.322 -3.511 1.00 0.00 C ATOM 204 C LEU A 17 -1.914 12.818 -3.434 1.00 0.00 C ATOM 205 O LEU A 17 -2.905 13.242 -2.839 1.00 0.00 O ATOM 206 CB LEU A 17 -0.228 11.029 -2.969 1.00 0.00 C ATOM 207 CG LEU A 17 -0.003 9.622 -2.415 1.00 0.00 C ATOM 208 CD1 LEU A 17 -0.375 8.574 -3.453 1.00 0.00 C ATOM 209 CD2 LEU A 17 1.442 9.447 -1.972 1.00 0.00 C ATOM 0 H LEU A 17 -0.994 10.221 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.364 10.799 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.493 11.203 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.008 11.748 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.647 9.488 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.208 7.579 -3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.426 8.684 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.242 8.707 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.583 8.440 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.105 9.602 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.675 10.174 -1.194 1.00 0.00 H new ATOM 221 N PHE A 18 -1.040 13.614 -4.041 1.00 0.00 N ATOM 222 CA PHE A 18 -1.198 15.064 -4.042 1.00 0.00 C ATOM 223 C PHE A 18 -2.671 15.450 -4.145 1.00 0.00 C ATOM 224 O PHE A 18 -3.167 16.264 -3.366 1.00 0.00 O ATOM 225 CB PHE A 18 -0.415 15.682 -5.202 1.00 0.00 C ATOM 226 CG PHE A 18 -0.553 17.176 -5.289 1.00 0.00 C ATOM 227 CD1 PHE A 18 0.209 18.003 -4.479 1.00 0.00 C ATOM 228 CD2 PHE A 18 -1.443 17.752 -6.180 1.00 0.00 C ATOM 229 CE1 PHE A 18 0.084 19.377 -4.557 1.00 0.00 C ATOM 230 CE2 PHE A 18 -1.572 19.126 -6.262 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.807 19.939 -5.450 1.00 0.00 C ATOM 0 H PHE A 18 -0.215 13.280 -4.539 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.805 15.449 -3.101 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.640 15.428 -5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.756 15.238 -6.137 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.908 17.569 -3.779 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.043 17.121 -6.818 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.683 20.011 -3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.270 19.563 -6.960 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.905 21.013 -5.513 1.00 0.00 H new ATOM 241 N VAL A 19 -3.365 14.859 -5.112 1.00 0.00 N ATOM 242 CA VAL A 19 -4.781 15.140 -5.318 1.00 0.00 C ATOM 243 C VAL A 19 -5.577 14.920 -4.036 1.00 0.00 C ATOM 244 O VAL A 19 -6.391 15.757 -3.648 1.00 0.00 O ATOM 245 CB VAL A 19 -5.373 14.258 -6.433 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.862 14.523 -6.591 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.638 14.494 -7.744 1.00 0.00 C ATOM 0 H VAL A 19 -2.970 14.183 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.855 16.186 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.244 13.213 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.262 13.890 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.373 14.298 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.020 15.570 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.069 13.863 -8.521 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.734 15.541 -8.032 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.584 14.247 -7.619 1.00 0.00 H new ATOM 257 N GLN A 20 -5.334 13.789 -3.382 1.00 0.00 N ATOM 258 CA GLN A 20 -6.028 13.459 -2.142 1.00 0.00 C ATOM 259 C GLN A 20 -5.552 14.349 -0.999 1.00 0.00 C ATOM 260 O GLN A 20 -6.305 14.635 -0.067 1.00 0.00 O ATOM 261 CB GLN A 20 -5.808 11.988 -1.786 1.00 0.00 C ATOM 262 CG GLN A 20 -6.858 11.057 -2.371 1.00 0.00 C ATOM 263 CD GLN A 20 -7.049 11.256 -3.862 1.00 0.00 C ATOM 264 OE1 GLN A 20 -8.022 11.871 -4.298 1.00 0.00 O ATOM 265 NE2 GLN A 20 -6.117 10.736 -4.653 1.00 0.00 N ATOM 0 H GLN A 20 -4.662 13.086 -3.690 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.093 13.633 -2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.824 11.680 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.804 11.882 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.568 10.024 -2.180 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.808 11.221 -1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.327 10.234 -4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.192 10.839 -5.665 1.00 0.00 H new ATOM 274 N ASP A 21 -4.298 14.782 -1.075 1.00 0.00 N ATOM 275 CA ASP A 21 -3.722 15.639 -0.046 1.00 0.00 C ATOM 276 C ASP A 21 -4.368 17.021 -0.065 1.00 0.00 C ATOM 277 O ASP A 21 -4.673 17.590 0.983 1.00 0.00 O ATOM 278 CB ASP A 21 -2.211 15.767 -0.246 1.00 0.00 C ATOM 279 CG ASP A 21 -1.494 14.438 -0.104 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.038 13.417 -0.574 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.389 14.420 0.477 1.00 0.00 O ATOM 0 H ASP A 21 -3.661 14.553 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.915 15.180 0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.012 16.180 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.810 16.473 0.481 1.00 0.00 H new ATOM 286 N HIS A 22 -4.574 17.556 -1.265 1.00 0.00 N ATOM 287 CA HIS A 22 -5.183 18.872 -1.421 1.00 0.00 C ATOM 288 C HIS A 22 -6.588 18.754 -2.003 1.00 0.00 C ATOM 289 O HIS A 22 -7.178 19.746 -2.433 1.00 0.00 O ATOM 290 CB HIS A 22 -4.318 19.755 -2.320 1.00 0.00 C ATOM 291 CG HIS A 22 -2.878 19.798 -1.910 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.284 20.916 -1.363 1.00 0.00 N ATOM 293 CD2 HIS A 22 -1.912 18.852 -1.969 1.00 0.00 C ATOM 294 CE1 HIS A 22 -1.015 20.656 -1.105 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.764 19.410 -1.463 1.00 0.00 N ATOM 0 H HIS A 22 -4.328 17.098 -2.143 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.254 19.331 -0.435 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.385 19.391 -3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.719 20.768 -2.315 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.023 17.845 -2.344 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.304 21.345 -0.674 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.136 18.939 -1.378 1.00 0.00 H new ATOM 304 N ARG A 23 -7.118 17.535 -2.016 1.00 0.00 N ATOM 305 CA ARG A 23 -8.453 17.288 -2.547 1.00 0.00 C ATOM 306 C ARG A 23 -9.491 18.149 -1.833 1.00 0.00 C ATOM 307 O ARG A 23 -10.184 18.963 -2.444 1.00 0.00 O ATOM 308 CB ARG A 23 -8.816 15.809 -2.404 1.00 0.00 C ATOM 309 CG ARG A 23 -10.297 15.565 -2.163 1.00 0.00 C ATOM 310 CD ARG A 23 -10.600 14.084 -2.004 1.00 0.00 C ATOM 311 NE ARG A 23 -10.433 13.636 -0.624 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.710 12.403 -0.213 1.00 0.00 C ATOM 313 NH1 ARG A 23 -11.163 11.501 -1.071 1.00 0.00 N ATOM 314 NH2 ARG A 23 -10.532 12.072 1.060 1.00 0.00 N ATOM 0 H ARG A 23 -6.643 16.703 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.451 17.554 -3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.512 15.280 -3.307 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.247 15.382 -1.578 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.614 16.100 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.873 15.968 -2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.622 13.886 -2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.942 13.508 -2.654 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.085 14.306 0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.300 11.752 -2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.375 10.555 -0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.183 12.764 1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.745 11.126 1.375 1.00 0.00 H new ATOM 328 N PRO A 24 -9.603 17.965 -0.510 1.00 0.00 N ATOM 329 CA PRO A 24 -10.554 18.715 0.316 1.00 0.00 C ATOM 330 C PRO A 24 -10.169 20.184 0.454 1.00 0.00 C ATOM 331 O PRO A 24 -11.013 21.071 0.323 1.00 0.00 O ATOM 332 CB PRO A 24 -10.476 18.013 1.674 1.00 0.00 C ATOM 333 CG PRO A 24 -9.121 17.395 1.704 1.00 0.00 C ATOM 334 CD PRO A 24 -8.810 17.011 0.283 1.00 0.00 C ATOM 0 HA PRO A 24 -11.553 18.722 -0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.607 18.720 2.493 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.257 17.260 1.776 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.381 18.096 2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.104 16.522 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.745 17.097 0.067 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.095 15.980 0.074 1.00 0.00 H new ATOM 342 N GLN A 25 -8.890 20.434 0.717 1.00 0.00 N ATOM 343 CA GLN A 25 -8.395 21.797 0.872 1.00 0.00 C ATOM 344 C GLN A 25 -8.958 22.708 -0.214 1.00 0.00 C ATOM 345 O GLN A 25 -9.290 23.865 0.042 1.00 0.00 O ATOM 346 CB GLN A 25 -6.866 21.814 0.827 1.00 0.00 C ATOM 347 CG GLN A 25 -6.253 23.070 1.426 1.00 0.00 C ATOM 348 CD GLN A 25 -6.462 23.162 2.925 1.00 0.00 C ATOM 349 OE1 GLN A 25 -6.622 22.148 3.605 1.00 0.00 O ATOM 350 NE2 GLN A 25 -6.462 24.382 3.449 1.00 0.00 N ATOM 0 H GLN A 25 -8.179 19.711 0.827 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.728 22.170 1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.485 20.944 1.362 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.540 21.719 -0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.185 23.087 1.210 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.689 23.947 0.947 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.326 25.195 2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.598 24.506 4.452 1.00 0.00 H new ATOM 359 N PHE A 26 -9.062 22.178 -1.428 1.00 0.00 N ATOM 360 CA PHE A 26 -9.584 22.944 -2.554 1.00 0.00 C ATOM 361 C PHE A 26 -11.047 23.313 -2.329 1.00 0.00 C ATOM 362 O PHE A 26 -11.430 24.478 -2.446 1.00 0.00 O ATOM 363 CB PHE A 26 -9.442 22.145 -3.852 1.00 0.00 C ATOM 364 CG PHE A 26 -9.880 22.901 -5.073 1.00 0.00 C ATOM 365 CD1 PHE A 26 -11.208 23.259 -5.243 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.964 23.255 -6.051 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.614 23.955 -6.366 1.00 0.00 C ATOM 368 CE2 PHE A 26 -9.364 23.951 -7.176 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.691 24.302 -7.333 1.00 0.00 C ATOM 0 H PHE A 26 -8.792 21.222 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.004 23.863 -2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.401 21.847 -3.973 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.028 21.230 -3.772 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.934 22.991 -4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.925 22.984 -5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.652 24.227 -6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.640 24.220 -7.931 1.00 0.00 H new ATOM 0 HZ PHE A 26 -11.006 24.847 -8.211 1.00 0.00 H new ATOM 379 N LEU A 27 -11.860 22.314 -2.007 1.00 0.00 N ATOM 380 CA LEU A 27 -13.282 22.533 -1.765 1.00 0.00 C ATOM 381 C LEU A 27 -13.496 23.485 -0.593 1.00 0.00 C ATOM 382 O LEU A 27 -14.134 24.528 -0.737 1.00 0.00 O ATOM 383 CB LEU A 27 -13.983 21.201 -1.490 1.00 0.00 C ATOM 384 CG LEU A 27 -13.939 20.173 -2.620 1.00 0.00 C ATOM 385 CD1 LEU A 27 -14.249 18.782 -2.089 1.00 0.00 C ATOM 386 CD2 LEU A 27 -14.914 20.553 -3.725 1.00 0.00 C ATOM 0 H LEU A 27 -11.560 21.344 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.712 22.986 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.535 20.754 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.027 21.405 -1.252 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.932 20.164 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.213 18.064 -2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.512 18.508 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.244 18.776 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.869 19.810 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.925 20.591 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.647 21.531 -4.126 1.00 0.00 H new ATOM 398 N ILE A 28 -12.957 23.120 0.565 1.00 0.00 N ATOM 399 CA ILE A 28 -13.085 23.944 1.760 1.00 0.00 C ATOM 400 C ILE A 28 -13.025 25.428 1.415 1.00 0.00 C ATOM 401 O ILE A 28 -13.928 26.191 1.755 1.00 0.00 O ATOM 402 CB ILE A 28 -11.983 23.622 2.787 1.00 0.00 C ATOM 403 CG1 ILE A 28 -12.130 22.185 3.293 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.036 24.605 3.947 1.00 0.00 C ATOM 405 CD1 ILE A 28 -10.972 21.725 4.150 1.00 0.00 C ATOM 0 H ILE A 28 -12.427 22.259 0.701 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.057 23.715 2.198 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.013 23.718 2.299 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -13.052 22.104 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.227 21.516 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.251 24.364 4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.887 25.618 3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.008 24.538 4.436 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.144 20.698 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.049 21.774 3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.887 22.371 5.024 1.00 0.00 H new ATOM 417 N GLU A 29 -11.955 25.828 0.735 1.00 0.00 N ATOM 418 CA GLU A 29 -11.778 27.221 0.342 1.00 0.00 C ATOM 419 C GLU A 29 -12.761 27.605 -0.761 1.00 0.00 C ATOM 420 O GLU A 29 -13.282 28.719 -0.783 1.00 0.00 O ATOM 421 CB GLU A 29 -10.343 27.463 -0.131 1.00 0.00 C ATOM 422 CG GLU A 29 -9.346 27.620 1.004 1.00 0.00 C ATOM 423 CD GLU A 29 -8.158 28.481 0.622 1.00 0.00 C ATOM 424 OE1 GLU A 29 -8.317 29.354 -0.257 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.070 28.284 1.202 1.00 0.00 O ATOM 0 H GLU A 29 -11.199 25.208 0.445 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.975 27.845 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.033 26.631 -0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.320 28.360 -0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.848 28.061 1.865 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.993 26.636 1.311 1.00 0.00 H new ATOM 432 N ASN A 30 -13.007 26.672 -1.675 1.00 0.00 N ATOM 433 CA ASN A 30 -13.926 26.912 -2.783 1.00 0.00 C ATOM 434 C ASN A 30 -15.119 25.964 -2.714 1.00 0.00 C ATOM 435 O ASN A 30 -15.183 24.955 -3.416 1.00 0.00 O ATOM 436 CB ASN A 30 -13.202 26.742 -4.120 1.00 0.00 C ATOM 437 CG ASN A 30 -11.883 27.490 -4.162 1.00 0.00 C ATOM 438 OD1 ASN A 30 -11.845 28.713 -4.023 1.00 0.00 O ATOM 439 ND2 ASN A 30 -10.793 26.757 -4.354 1.00 0.00 N ATOM 0 H ASN A 30 -12.584 25.744 -1.671 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.292 27.936 -2.704 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.022 25.682 -4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.844 27.098 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.877 27.205 -4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.871 25.746 -4.464 1.00 0.00 H new ATOM 446 N PRO A 31 -16.089 26.295 -1.849 1.00 0.00 N ATOM 447 CA PRO A 31 -17.299 25.487 -1.668 1.00 0.00 C ATOM 448 C PRO A 31 -18.224 25.550 -2.879 1.00 0.00 C ATOM 449 O PRO A 31 -19.150 24.749 -3.009 1.00 0.00 O ATOM 450 CB PRO A 31 -17.971 26.123 -0.449 1.00 0.00 C ATOM 451 CG PRO A 31 -17.480 27.529 -0.435 1.00 0.00 C ATOM 452 CD PRO A 31 -16.079 27.484 -0.980 1.00 0.00 C ATOM 0 HA PRO A 31 -17.068 24.429 -1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.057 26.084 -0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.701 25.601 0.469 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.116 28.170 -1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.493 27.937 0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -15.836 28.388 -1.539 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -15.341 27.393 -0.183 1.00 0.00 H new ATOM 460 N LYS A 32 -17.966 26.506 -3.765 1.00 0.00 N ATOM 461 CA LYS A 32 -18.774 26.673 -4.968 1.00 0.00 C ATOM 462 C LYS A 32 -18.176 25.896 -6.137 1.00 0.00 C ATOM 463 O LYS A 32 -18.148 26.381 -7.268 1.00 0.00 O ATOM 464 CB LYS A 32 -18.886 28.155 -5.330 1.00 0.00 C ATOM 465 CG LYS A 32 -20.064 28.854 -4.675 1.00 0.00 C ATOM 466 CD LYS A 32 -21.358 28.589 -5.426 1.00 0.00 C ATOM 467 CE LYS A 32 -22.575 28.861 -4.554 1.00 0.00 C ATOM 468 NZ LYS A 32 -23.026 30.277 -4.658 1.00 0.00 N ATOM 0 H LYS A 32 -17.204 27.177 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.770 26.279 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.966 28.662 -5.039 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -18.974 28.250 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -20.164 28.512 -3.645 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.877 29.927 -4.638 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -21.399 29.218 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.377 27.554 -5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -23.389 28.198 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -22.337 28.631 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -23.857 30.422 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -22.259 30.909 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -23.278 30.490 -5.644 1.00 0.00 H new ATOM 482 N THR A 33 -17.700 24.687 -5.857 1.00 0.00 N ATOM 483 CA THR A 33 -17.103 23.844 -6.885 1.00 0.00 C ATOM 484 C THR A 33 -17.445 22.375 -6.658 1.00 0.00 C ATOM 485 O THR A 33 -17.254 21.846 -5.563 1.00 0.00 O ATOM 486 CB THR A 33 -15.572 24.003 -6.923 1.00 0.00 C ATOM 487 OG1 THR A 33 -15.221 25.388 -6.827 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.999 23.417 -8.204 1.00 0.00 C ATOM 0 H THR A 33 -17.716 24.270 -4.926 1.00 0.00 H new ATOM 0 HA THR A 33 -17.518 24.168 -7.840 1.00 0.00 H new ATOM 0 HB THR A 33 -15.151 23.462 -6.075 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.246 25.481 -6.850 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.916 23.541 -8.208 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.243 22.356 -8.260 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.427 23.933 -9.063 1.00 0.00 H new ATOM 496 N SER A 34 -17.949 21.722 -7.699 1.00 0.00 N ATOM 497 CA SER A 34 -18.320 20.314 -7.612 1.00 0.00 C ATOM 498 C SER A 34 -17.095 19.446 -7.343 1.00 0.00 C ATOM 499 O SER A 34 -15.967 19.829 -7.655 1.00 0.00 O ATOM 500 CB SER A 34 -19.004 19.864 -8.904 1.00 0.00 C ATOM 501 OG SER A 34 -20.285 20.457 -9.037 1.00 0.00 O ATOM 0 H SER A 34 -18.110 22.145 -8.613 1.00 0.00 H new ATOM 0 HA SER A 34 -19.016 20.198 -6.781 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.385 20.133 -9.760 1.00 0.00 H new ATOM 0 HB3 SER A 34 -19.100 18.778 -8.909 1.00 0.00 H new ATOM 0 HG SER A 34 -20.700 20.155 -9.872 1.00 0.00 H new ATOM 507 N LEU A 35 -17.325 18.274 -6.761 1.00 0.00 N ATOM 508 CA LEU A 35 -16.242 17.349 -6.448 1.00 0.00 C ATOM 509 C LEU A 35 -15.304 17.185 -7.640 1.00 0.00 C ATOM 510 O LEU A 35 -14.089 17.325 -7.510 1.00 0.00 O ATOM 511 CB LEU A 35 -16.808 15.988 -6.040 1.00 0.00 C ATOM 512 CG LEU A 35 -17.093 15.800 -4.549 1.00 0.00 C ATOM 513 CD1 LEU A 35 -18.219 14.798 -4.344 1.00 0.00 C ATOM 514 CD2 LEU A 35 -15.837 15.350 -3.819 1.00 0.00 C ATOM 0 H LEU A 35 -18.252 17.942 -6.496 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.674 17.764 -5.615 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.734 15.822 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.107 15.216 -6.356 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.406 16.758 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -18.408 14.677 -3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -19.123 15.161 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -17.934 13.838 -4.774 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -16.058 15.221 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.494 14.403 -4.236 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -15.058 16.103 -3.938 1.00 0.00 H new ATOM 526 N GLU A 36 -15.879 16.891 -8.803 1.00 0.00 N ATOM 527 CA GLU A 36 -15.094 16.710 -10.018 1.00 0.00 C ATOM 528 C GLU A 36 -14.303 17.973 -10.347 1.00 0.00 C ATOM 529 O GLU A 36 -13.073 17.950 -10.406 1.00 0.00 O ATOM 530 CB GLU A 36 -16.007 16.346 -11.191 1.00 0.00 C ATOM 531 CG GLU A 36 -16.758 15.041 -10.996 1.00 0.00 C ATOM 532 CD GLU A 36 -15.900 13.824 -11.284 1.00 0.00 C ATOM 533 OE1 GLU A 36 -15.063 13.472 -10.426 1.00 0.00 O ATOM 534 OE2 GLU A 36 -16.063 13.225 -12.368 1.00 0.00 O ATOM 0 H GLU A 36 -16.884 16.773 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.390 15.895 -9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.727 17.150 -11.343 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.408 16.278 -12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.125 14.987 -9.971 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.631 15.028 -11.649 1.00 0.00 H new ATOM 541 N ASP A 37 -15.017 19.072 -10.562 1.00 0.00 N ATOM 542 CA ASP A 37 -14.382 20.345 -10.885 1.00 0.00 C ATOM 543 C ASP A 37 -13.165 20.586 -9.997 1.00 0.00 C ATOM 544 O ASP A 37 -12.048 20.743 -10.489 1.00 0.00 O ATOM 545 CB ASP A 37 -15.381 21.492 -10.725 1.00 0.00 C ATOM 546 CG ASP A 37 -16.193 21.733 -11.982 1.00 0.00 C ATOM 547 OD1 ASP A 37 -15.675 21.455 -13.084 1.00 0.00 O ATOM 548 OD2 ASP A 37 -17.345 22.200 -11.865 1.00 0.00 O ATOM 0 H ASP A 37 -16.035 19.108 -10.519 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.050 20.305 -11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -16.055 21.270 -9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.844 22.404 -10.463 1.00 0.00 H new ATOM 553 N ALA A 38 -13.390 20.615 -8.688 1.00 0.00 N ATOM 554 CA ALA A 38 -12.312 20.836 -7.732 1.00 0.00 C ATOM 555 C ALA A 38 -11.074 20.028 -8.105 1.00 0.00 C ATOM 556 O ALA A 38 -9.965 20.561 -8.159 1.00 0.00 O ATOM 557 CB ALA A 38 -12.773 20.482 -6.326 1.00 0.00 C ATOM 0 H ALA A 38 -14.309 20.488 -8.265 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.046 21.893 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.958 20.652 -5.622 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.624 21.107 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.068 19.433 -6.293 1.00 0.00 H new ATOM 563 N THR A 39 -11.269 18.738 -8.360 1.00 0.00 N ATOM 564 CA THR A 39 -10.168 17.856 -8.726 1.00 0.00 C ATOM 565 C THR A 39 -9.603 18.221 -10.094 1.00 0.00 C ATOM 566 O THR A 39 -8.391 18.167 -10.311 1.00 0.00 O ATOM 567 CB THR A 39 -10.612 16.381 -8.743 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.404 16.094 -7.585 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.407 15.454 -8.782 1.00 0.00 C ATOM 0 H THR A 39 -12.180 18.281 -8.320 1.00 0.00 H new ATOM 0 HA THR A 39 -9.394 17.986 -7.970 1.00 0.00 H new ATOM 0 HB THR A 39 -11.208 16.214 -9.640 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.320 16.412 -7.728 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.745 14.418 -8.793 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.822 15.655 -9.680 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.788 15.624 -7.901 1.00 0.00 H new ATOM 577 N LEU A 40 -10.486 18.593 -11.014 1.00 0.00 N ATOM 578 CA LEU A 40 -10.074 18.968 -12.362 1.00 0.00 C ATOM 579 C LEU A 40 -9.033 20.082 -12.324 1.00 0.00 C ATOM 580 O LEU A 40 -8.182 20.180 -13.208 1.00 0.00 O ATOM 581 CB LEU A 40 -11.286 19.414 -13.181 1.00 0.00 C ATOM 582 CG LEU A 40 -12.323 18.334 -13.490 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.585 18.955 -14.067 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.748 17.300 -14.447 1.00 0.00 C ATOM 0 H LEU A 40 -11.492 18.643 -10.851 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.626 18.094 -12.834 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.783 20.223 -12.646 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.929 19.827 -14.124 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.584 17.831 -12.559 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.311 18.171 -14.281 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.008 19.655 -13.347 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.342 19.485 -14.988 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.500 16.539 -14.655 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.457 17.787 -15.378 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.874 16.832 -13.994 1.00 0.00 H new ATOM 596 N GLN A 41 -9.107 20.918 -11.293 1.00 0.00 N ATOM 597 CA GLN A 41 -8.169 22.024 -11.139 1.00 0.00 C ATOM 598 C GLN A 41 -6.916 21.576 -10.395 1.00 0.00 C ATOM 599 O GLN A 41 -5.830 22.118 -10.605 1.00 0.00 O ATOM 600 CB GLN A 41 -8.833 23.183 -10.393 1.00 0.00 C ATOM 601 CG GLN A 41 -9.790 23.992 -11.253 1.00 0.00 C ATOM 602 CD GLN A 41 -10.438 25.132 -10.492 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.755 25.946 -9.870 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.764 25.196 -10.537 1.00 0.00 N ATOM 0 H GLN A 41 -9.806 20.851 -10.553 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.877 22.361 -12.134 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.375 22.788 -9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.059 23.845 -10.004 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.251 24.393 -12.111 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.566 23.334 -11.644 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.291 24.500 -11.065 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.256 25.941 -10.044 1.00 0.00 H new ATOM 613 N ILE A 42 -7.073 20.585 -9.524 1.00 0.00 N ATOM 614 CA ILE A 42 -5.954 20.064 -8.749 1.00 0.00 C ATOM 615 C ILE A 42 -5.018 19.237 -9.624 1.00 0.00 C ATOM 616 O ILE A 42 -3.804 19.238 -9.424 1.00 0.00 O ATOM 617 CB ILE A 42 -6.439 19.197 -7.572 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.288 20.032 -6.612 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.253 18.584 -6.842 1.00 0.00 C ATOM 620 CD1 ILE A 42 -8.171 19.201 -5.708 1.00 0.00 C ATOM 0 H ILE A 42 -7.965 20.127 -9.337 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.414 20.925 -8.356 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.056 18.389 -7.965 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.630 20.647 -5.998 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.912 20.713 -7.190 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.612 17.974 -6.013 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.684 17.960 -7.532 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.612 19.378 -6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.744 19.859 -5.055 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.854 18.606 -6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.552 18.539 -5.103 1.00 0.00 H new ATOM 632 N GLU A 43 -5.592 18.533 -10.594 1.00 0.00 N ATOM 633 CA GLU A 43 -4.808 17.701 -11.500 1.00 0.00 C ATOM 634 C GLU A 43 -3.873 18.556 -12.352 1.00 0.00 C ATOM 635 O GLU A 43 -2.692 18.245 -12.497 1.00 0.00 O ATOM 636 CB GLU A 43 -5.731 16.881 -12.404 1.00 0.00 C ATOM 637 CG GLU A 43 -6.248 15.610 -11.752 1.00 0.00 C ATOM 638 CD GLU A 43 -5.181 14.539 -11.634 1.00 0.00 C ATOM 639 OE1 GLU A 43 -4.229 14.560 -12.442 1.00 0.00 O ATOM 640 OE2 GLU A 43 -5.299 13.679 -10.736 1.00 0.00 O ATOM 0 H GLU A 43 -6.596 18.522 -10.773 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.205 17.022 -10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.579 17.499 -12.700 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.194 16.619 -13.316 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.632 15.846 -10.760 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.084 15.222 -12.334 1.00 0.00 H new ATOM 647 N GLU A 44 -4.413 19.634 -12.912 1.00 0.00 N ATOM 648 CA GLU A 44 -3.628 20.533 -13.750 1.00 0.00 C ATOM 649 C GLU A 44 -2.672 21.370 -12.904 1.00 0.00 C ATOM 650 O GLU A 44 -1.659 21.866 -13.399 1.00 0.00 O ATOM 651 CB GLU A 44 -4.550 21.450 -14.557 1.00 0.00 C ATOM 652 CG GLU A 44 -5.157 22.575 -13.737 1.00 0.00 C ATOM 653 CD GLU A 44 -4.163 23.679 -13.434 1.00 0.00 C ATOM 654 OE1 GLU A 44 -3.248 23.895 -14.257 1.00 0.00 O ATOM 655 OE2 GLU A 44 -4.298 24.327 -12.375 1.00 0.00 O ATOM 0 H GLU A 44 -5.390 19.906 -12.801 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.040 19.926 -14.438 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.987 21.879 -15.386 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.353 20.854 -14.991 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.007 22.994 -14.276 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.541 22.170 -12.801 1.00 0.00 H new ATOM 662 N LEU A 45 -3.003 21.523 -11.627 1.00 0.00 N ATOM 663 CA LEU A 45 -2.175 22.300 -10.710 1.00 0.00 C ATOM 664 C LEU A 45 -0.954 21.501 -10.268 1.00 0.00 C ATOM 665 O LEU A 45 -0.041 22.040 -9.642 1.00 0.00 O ATOM 666 CB LEU A 45 -2.992 22.723 -9.488 1.00 0.00 C ATOM 667 CG LEU A 45 -2.202 22.951 -8.199 1.00 0.00 C ATOM 668 CD1 LEU A 45 -1.314 24.179 -8.327 1.00 0.00 C ATOM 669 CD2 LEU A 45 -3.146 23.095 -7.014 1.00 0.00 C ATOM 0 H LEU A 45 -3.838 21.120 -11.203 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.832 23.191 -11.236 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.524 23.643 -9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.746 21.959 -9.298 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.565 22.083 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.760 24.325 -7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.614 24.037 -9.150 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.931 25.056 -8.523 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.567 23.257 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.809 23.945 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.740 22.187 -6.909 1.00 0.00 H new ATOM 681 N TRP A 46 -0.943 20.215 -10.600 1.00 0.00 N ATOM 682 CA TRP A 46 0.168 19.342 -10.238 1.00 0.00 C ATOM 683 C TRP A 46 1.154 19.209 -11.394 1.00 0.00 C ATOM 684 O TRP A 46 2.340 18.953 -11.185 1.00 0.00 O ATOM 685 CB TRP A 46 -0.352 17.962 -9.834 1.00 0.00 C ATOM 686 CG TRP A 46 0.697 16.892 -9.889 1.00 0.00 C ATOM 687 CD1 TRP A 46 1.031 16.128 -10.970 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.545 16.468 -8.817 1.00 0.00 C ATOM 689 NE1 TRP A 46 2.037 15.254 -10.635 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.371 15.443 -9.320 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.690 16.855 -7.482 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.324 14.802 -8.533 1.00 0.00 C ATOM 693 CZ3 TRP A 46 2.636 16.218 -6.703 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.444 15.201 -7.230 1.00 0.00 C ATOM 0 H TRP A 46 -1.690 19.754 -11.119 1.00 0.00 H new ATOM 0 HA TRP A 46 0.688 19.789 -9.391 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.754 18.015 -8.822 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.177 17.686 -10.491 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.572 16.200 -11.945 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.466 14.575 -11.264 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.073 17.638 -7.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.947 14.017 -8.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.755 16.509 -5.670 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.175 14.723 -6.595 1.00 0.00 H new ATOM 705 N LYS A 47 0.656 19.385 -12.613 1.00 0.00 N ATOM 706 CA LYS A 47 1.494 19.286 -13.803 1.00 0.00 C ATOM 707 C LYS A 47 2.432 20.484 -13.909 1.00 0.00 C ATOM 708 O LYS A 47 3.498 20.399 -14.519 1.00 0.00 O ATOM 709 CB LYS A 47 0.623 19.195 -15.058 1.00 0.00 C ATOM 710 CG LYS A 47 -0.087 17.861 -15.210 1.00 0.00 C ATOM 711 CD LYS A 47 -1.213 17.941 -16.227 1.00 0.00 C ATOM 712 CE LYS A 47 -2.294 16.909 -15.944 1.00 0.00 C ATOM 713 NZ LYS A 47 -3.543 17.191 -16.704 1.00 0.00 N ATOM 0 H LYS A 47 -0.323 19.597 -12.803 1.00 0.00 H new ATOM 0 HA LYS A 47 2.096 18.381 -13.719 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.120 19.992 -15.033 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.246 19.368 -15.936 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.629 17.100 -15.518 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.488 17.549 -14.246 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.649 18.940 -16.211 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.812 17.784 -17.228 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.926 15.917 -16.205 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.514 16.897 -14.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.255 16.465 -16.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.908 18.127 -16.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.339 17.178 -17.724 1.00 0.00 H new ATOM 727 N THR A 48 2.030 21.600 -13.309 1.00 0.00 N ATOM 728 CA THR A 48 2.835 22.815 -13.336 1.00 0.00 C ATOM 729 C THR A 48 3.717 22.917 -12.097 1.00 0.00 C ATOM 730 O THR A 48 4.155 24.006 -11.722 1.00 0.00 O ATOM 731 CB THR A 48 1.950 24.073 -13.428 1.00 0.00 C ATOM 732 OG1 THR A 48 2.771 25.242 -13.528 1.00 0.00 O ATOM 733 CG2 THR A 48 1.043 24.187 -12.212 1.00 0.00 C ATOM 0 H THR A 48 1.151 21.688 -12.798 1.00 0.00 H new ATOM 0 HA THR A 48 3.465 22.758 -14.223 1.00 0.00 H new ATOM 0 HB THR A 48 1.328 23.989 -14.319 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.490 25.194 -12.864 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.428 25.083 -12.300 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.400 23.309 -12.154 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.651 24.251 -11.309 1.00 0.00 H new ATOM 741 N LEU A 49 3.975 21.778 -11.465 1.00 0.00 N ATOM 742 CA LEU A 49 4.807 21.739 -10.267 1.00 0.00 C ATOM 743 C LEU A 49 6.277 21.556 -10.630 1.00 0.00 C ATOM 744 O LEU A 49 6.603 21.081 -11.718 1.00 0.00 O ATOM 745 CB LEU A 49 4.353 20.607 -9.343 1.00 0.00 C ATOM 746 CG LEU A 49 3.181 20.928 -8.415 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.813 19.711 -7.580 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.518 22.110 -7.518 1.00 0.00 C ATOM 0 H LEU A 49 3.620 20.869 -11.762 1.00 0.00 H new ATOM 0 HA LEU A 49 4.696 22.691 -9.747 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.079 19.750 -9.959 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.202 20.302 -8.731 1.00 0.00 H new ATOM 0 HG LEU A 49 2.321 21.197 -9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.977 19.958 -6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.528 18.891 -8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.670 19.411 -6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.672 22.324 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.392 21.870 -6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.731 22.984 -8.133 1.00 0.00 H new ATOM 760 N SER A 50 7.160 21.934 -9.712 1.00 0.00 N ATOM 761 CA SER A 50 8.596 21.812 -9.936 1.00 0.00 C ATOM 762 C SER A 50 9.070 20.389 -9.659 1.00 0.00 C ATOM 763 O SER A 50 8.518 19.694 -8.807 1.00 0.00 O ATOM 764 CB SER A 50 9.357 22.798 -9.047 1.00 0.00 C ATOM 765 OG SER A 50 10.737 22.812 -9.368 1.00 0.00 O ATOM 0 H SER A 50 6.907 22.327 -8.806 1.00 0.00 H new ATOM 0 HA SER A 50 8.797 22.046 -10.981 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.942 23.798 -9.169 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.226 22.524 -8.000 1.00 0.00 H new ATOM 0 HG SER A 50 11.201 23.451 -8.788 1.00 0.00 H new ATOM 771 N GLU A 51 10.098 19.963 -10.387 1.00 0.00 N ATOM 772 CA GLU A 51 10.647 18.622 -10.221 1.00 0.00 C ATOM 773 C GLU A 51 10.796 18.275 -8.742 1.00 0.00 C ATOM 774 O GLU A 51 10.154 17.351 -8.244 1.00 0.00 O ATOM 775 CB GLU A 51 12.003 18.511 -10.922 1.00 0.00 C ATOM 776 CG GLU A 51 12.416 17.081 -11.224 1.00 0.00 C ATOM 777 CD GLU A 51 13.635 17.004 -12.123 1.00 0.00 C ATOM 778 OE1 GLU A 51 13.520 17.376 -13.310 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.703 16.572 -11.641 1.00 0.00 O ATOM 0 H GLU A 51 10.567 20.526 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 51 9.953 17.914 -10.675 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.968 19.075 -11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.765 18.976 -10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.625 16.562 -10.289 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.585 16.559 -11.699 1.00 0.00 H new ATOM 786 N GLU A 52 11.649 19.021 -8.048 1.00 0.00 N ATOM 787 CA GLU A 52 11.884 18.791 -6.628 1.00 0.00 C ATOM 788 C GLU A 52 10.565 18.652 -5.874 1.00 0.00 C ATOM 789 O GLU A 52 10.416 17.778 -5.020 1.00 0.00 O ATOM 790 CB GLU A 52 12.706 19.937 -6.032 1.00 0.00 C ATOM 791 CG GLU A 52 13.145 19.689 -4.598 1.00 0.00 C ATOM 792 CD GLU A 52 13.897 20.866 -4.007 1.00 0.00 C ATOM 793 OE1 GLU A 52 13.243 21.751 -3.417 1.00 0.00 O ATOM 794 OE2 GLU A 52 15.139 20.901 -4.134 1.00 0.00 O ATOM 0 H GLU A 52 12.189 19.790 -8.446 1.00 0.00 H new ATOM 0 HA GLU A 52 12.442 17.860 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.589 20.100 -6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.117 20.853 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.269 19.477 -3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.779 18.803 -4.564 1.00 0.00 H new ATOM 801 N GLU A 53 9.611 19.519 -6.196 1.00 0.00 N ATOM 802 CA GLU A 53 8.305 19.493 -5.549 1.00 0.00 C ATOM 803 C GLU A 53 7.664 18.114 -5.671 1.00 0.00 C ATOM 804 O GLU A 53 7.028 17.626 -4.736 1.00 0.00 O ATOM 805 CB GLU A 53 7.385 20.551 -6.162 1.00 0.00 C ATOM 806 CG GLU A 53 6.177 20.881 -5.302 1.00 0.00 C ATOM 807 CD GLU A 53 6.546 21.657 -4.052 1.00 0.00 C ATOM 808 OE1 GLU A 53 7.220 21.080 -3.173 1.00 0.00 O ATOM 809 OE2 GLU A 53 6.160 22.840 -3.953 1.00 0.00 O ATOM 0 H GLU A 53 9.718 20.248 -6.901 1.00 0.00 H new ATOM 0 HA GLU A 53 8.449 19.716 -4.492 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.958 21.462 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.042 20.202 -7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.465 21.462 -5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.675 19.956 -5.016 1.00 0.00 H new ATOM 816 N LYS A 54 7.835 17.490 -6.832 1.00 0.00 N ATOM 817 CA LYS A 54 7.276 16.166 -7.079 1.00 0.00 C ATOM 818 C LYS A 54 8.093 15.089 -6.373 1.00 0.00 C ATOM 819 O LYS A 54 7.545 14.242 -5.667 1.00 0.00 O ATOM 820 CB LYS A 54 7.228 15.883 -8.582 1.00 0.00 C ATOM 821 CG LYS A 54 6.196 16.713 -9.326 1.00 0.00 C ATOM 822 CD LYS A 54 5.951 16.175 -10.726 1.00 0.00 C ATOM 823 CE LYS A 54 5.256 17.204 -11.604 1.00 0.00 C ATOM 824 NZ LYS A 54 6.230 18.097 -12.290 1.00 0.00 N ATOM 0 H LYS A 54 8.357 17.880 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 54 6.262 16.147 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.212 16.073 -9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.012 14.826 -8.737 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.260 16.717 -8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.535 17.747 -9.387 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.901 15.890 -11.179 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.342 15.273 -10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.645 16.693 -12.348 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.580 17.804 -10.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.134 19.064 -11.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.197 17.754 -12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.040 18.097 -13.313 1.00 0.00 H new ATOM 838 N LEU A 55 9.407 15.128 -6.567 1.00 0.00 N ATOM 839 CA LEU A 55 10.301 14.156 -5.948 1.00 0.00 C ATOM 840 C LEU A 55 9.813 13.780 -4.552 1.00 0.00 C ATOM 841 O LEU A 55 9.636 12.602 -4.241 1.00 0.00 O ATOM 842 CB LEU A 55 11.722 14.717 -5.870 1.00 0.00 C ATOM 843 CG LEU A 55 12.621 14.435 -7.074 1.00 0.00 C ATOM 844 CD1 LEU A 55 13.215 13.038 -6.981 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.844 14.600 -8.371 1.00 0.00 C ATOM 0 H LEU A 55 9.877 15.822 -7.148 1.00 0.00 H new ATOM 0 HA LEU A 55 10.305 13.258 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.658 15.797 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.203 14.312 -4.980 1.00 0.00 H new ATOM 0 HG LEU A 55 13.438 15.157 -7.069 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.852 12.855 -7.846 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.808 12.955 -6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.412 12.302 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.500 14.395 -9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.006 13.903 -8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.468 15.621 -8.442 1.00 0.00 H new ATOM 857 N LYS A 56 9.596 14.788 -3.715 1.00 0.00 N ATOM 858 CA LYS A 56 9.125 14.566 -2.353 1.00 0.00 C ATOM 859 C LYS A 56 7.994 13.543 -2.329 1.00 0.00 C ATOM 860 O LYS A 56 8.042 12.568 -1.579 1.00 0.00 O ATOM 861 CB LYS A 56 8.650 15.882 -1.734 1.00 0.00 C ATOM 862 CG LYS A 56 9.748 16.922 -1.600 1.00 0.00 C ATOM 863 CD LYS A 56 9.192 18.267 -1.163 1.00 0.00 C ATOM 864 CE LYS A 56 10.175 19.394 -1.441 1.00 0.00 C ATOM 865 NZ LYS A 56 11.364 19.325 -0.547 1.00 0.00 N ATOM 0 H LYS A 56 9.739 15.769 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 56 9.957 14.176 -1.767 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.846 16.292 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.230 15.680 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.488 16.580 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.264 17.033 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.256 18.462 -1.686 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.962 18.238 -0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.499 19.345 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.675 20.353 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.010 20.110 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 11.058 19.397 0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.856 18.420 -0.693 1.00 0.00 H new ATOM 879 N TYR A 57 6.979 13.771 -3.155 1.00 0.00 N ATOM 880 CA TYR A 57 5.835 12.869 -3.228 1.00 0.00 C ATOM 881 C TYR A 57 6.231 11.537 -3.857 1.00 0.00 C ATOM 882 O TYR A 57 5.842 10.472 -3.378 1.00 0.00 O ATOM 883 CB TYR A 57 4.704 13.510 -4.033 1.00 0.00 C ATOM 884 CG TYR A 57 3.763 14.346 -3.195 1.00 0.00 C ATOM 885 CD1 TYR A 57 2.823 13.748 -2.364 1.00 0.00 C ATOM 886 CD2 TYR A 57 3.814 15.734 -3.233 1.00 0.00 C ATOM 887 CE1 TYR A 57 1.961 14.508 -1.597 1.00 0.00 C ATOM 888 CE2 TYR A 57 2.956 16.502 -2.469 1.00 0.00 C ATOM 889 CZ TYR A 57 2.032 15.884 -1.653 1.00 0.00 C ATOM 890 OH TYR A 57 1.176 16.645 -0.890 1.00 0.00 O ATOM 0 H TYR A 57 6.925 14.573 -3.783 1.00 0.00 H new ATOM 0 HA TYR A 57 5.487 12.681 -2.212 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.135 14.136 -4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.134 12.726 -4.531 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.765 12.671 -2.317 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.537 16.221 -3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.236 14.027 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.009 17.580 -2.511 1.00 0.00 H new ATOM 0 HH TYR A 57 0.599 16.056 -0.360 1.00 0.00 H new ATOM 900 N GLU A 58 7.007 11.606 -4.934 1.00 0.00 N ATOM 901 CA GLU A 58 7.455 10.406 -5.630 1.00 0.00 C ATOM 902 C GLU A 58 7.967 9.362 -4.641 1.00 0.00 C ATOM 903 O GLU A 58 7.440 8.253 -4.565 1.00 0.00 O ATOM 904 CB GLU A 58 8.555 10.753 -6.636 1.00 0.00 C ATOM 905 CG GLU A 58 8.066 11.587 -7.808 1.00 0.00 C ATOM 906 CD GLU A 58 7.326 10.762 -8.843 1.00 0.00 C ATOM 907 OE1 GLU A 58 6.291 10.158 -8.491 1.00 0.00 O ATOM 908 OE2 GLU A 58 7.782 10.719 -10.005 1.00 0.00 O ATOM 0 H GLU A 58 7.338 12.480 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 58 6.602 9.988 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.349 11.295 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.993 9.830 -7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.409 12.375 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.917 12.077 -8.281 1.00 0.00 H new ATOM 915 N GLU A 59 8.998 9.727 -3.886 1.00 0.00 N ATOM 916 CA GLU A 59 9.582 8.823 -2.903 1.00 0.00 C ATOM 917 C GLU A 59 8.505 7.962 -2.248 1.00 0.00 C ATOM 918 O GLU A 59 8.611 6.736 -2.211 1.00 0.00 O ATOM 919 CB GLU A 59 10.338 9.614 -1.834 1.00 0.00 C ATOM 920 CG GLU A 59 11.769 9.948 -2.221 1.00 0.00 C ATOM 921 CD GLU A 59 12.625 10.323 -1.027 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.913 9.432 -0.200 1.00 0.00 O ATOM 923 OE2 GLU A 59 13.006 11.507 -0.919 1.00 0.00 O ATOM 0 H GLU A 59 9.446 10.642 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 59 10.282 8.168 -3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.800 10.540 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.346 9.040 -0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.214 9.091 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.765 10.773 -2.934 1.00 0.00 H new ATOM 930 N LYS A 60 7.470 8.614 -1.730 1.00 0.00 N ATOM 931 CA LYS A 60 6.372 7.912 -1.076 1.00 0.00 C ATOM 932 C LYS A 60 5.767 6.863 -2.005 1.00 0.00 C ATOM 933 O LYS A 60 5.550 5.719 -1.607 1.00 0.00 O ATOM 934 CB LYS A 60 5.292 8.904 -0.639 1.00 0.00 C ATOM 935 CG LYS A 60 5.561 9.537 0.716 1.00 0.00 C ATOM 936 CD LYS A 60 4.586 10.665 1.007 1.00 0.00 C ATOM 937 CE LYS A 60 3.176 10.139 1.232 1.00 0.00 C ATOM 938 NZ LYS A 60 2.186 11.244 1.358 1.00 0.00 N ATOM 0 H LYS A 60 7.368 9.629 -1.750 1.00 0.00 H new ATOM 0 HA LYS A 60 6.770 7.407 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.209 9.691 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.331 8.391 -0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.484 8.778 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.581 9.920 0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.916 11.214 1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.584 11.370 0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.893 9.491 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.156 9.528 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.238 10.845 1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.441 11.848 2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.187 11.812 0.487 1.00 0.00 H new ATOM 952 N ALA A 61 5.499 7.261 -3.244 1.00 0.00 N ATOM 953 CA ALA A 61 4.923 6.355 -4.230 1.00 0.00 C ATOM 954 C ALA A 61 5.874 5.204 -4.539 1.00 0.00 C ATOM 955 O ALA A 61 5.576 4.044 -4.254 1.00 0.00 O ATOM 956 CB ALA A 61 4.576 7.112 -5.503 1.00 0.00 C ATOM 0 H ALA A 61 5.672 8.205 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 61 4.009 5.934 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.147 6.423 -6.230 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.853 7.895 -5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.479 7.561 -5.917 1.00 0.00 H new ATOM 962 N THR A 62 7.021 5.532 -5.125 1.00 0.00 N ATOM 963 CA THR A 62 8.016 4.525 -5.475 1.00 0.00 C ATOM 964 C THR A 62 8.260 3.567 -4.315 1.00 0.00 C ATOM 965 O THR A 62 8.490 2.375 -4.518 1.00 0.00 O ATOM 966 CB THR A 62 9.352 5.173 -5.881 1.00 0.00 C ATOM 967 OG1 THR A 62 10.241 4.178 -6.402 1.00 0.00 O ATOM 968 CG2 THR A 62 10.000 5.867 -4.693 1.00 0.00 C ATOM 0 H THR A 62 7.284 6.487 -5.367 1.00 0.00 H new ATOM 0 HA THR A 62 7.618 3.969 -6.324 1.00 0.00 H new ATOM 0 HB THR A 62 9.150 5.918 -6.651 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.088 4.599 -6.659 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.943 6.317 -5.004 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.334 6.643 -4.317 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.189 5.138 -3.905 1.00 0.00 H new ATOM 976 N LYS A 63 8.208 4.095 -3.097 1.00 0.00 N ATOM 977 CA LYS A 63 8.422 3.287 -1.902 1.00 0.00 C ATOM 978 C LYS A 63 7.456 2.108 -1.862 1.00 0.00 C ATOM 979 O LYS A 63 7.828 1.001 -1.475 1.00 0.00 O ATOM 980 CB LYS A 63 8.250 4.143 -0.645 1.00 0.00 C ATOM 981 CG LYS A 63 8.245 3.338 0.643 1.00 0.00 C ATOM 982 CD LYS A 63 9.647 3.181 1.208 1.00 0.00 C ATOM 983 CE LYS A 63 10.328 1.931 0.670 1.00 0.00 C ATOM 984 NZ LYS A 63 11.614 1.657 1.367 1.00 0.00 N ATOM 0 H LYS A 63 8.019 5.080 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 63 9.440 2.899 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.055 4.876 -0.602 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.316 4.699 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.608 3.830 1.378 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.815 2.354 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.243 4.058 0.956 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.599 3.131 2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.662 1.076 0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.512 2.049 -0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.047 0.798 0.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.259 2.462 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.436 1.519 2.382 1.00 0.00 H new ATOM 998 N ASP A 64 6.214 2.353 -2.267 1.00 0.00 N ATOM 999 CA ASP A 64 5.195 1.310 -2.280 1.00 0.00 C ATOM 1000 C ASP A 64 5.332 0.432 -3.520 1.00 0.00 C ATOM 1001 O ASP A 64 5.110 -0.778 -3.464 1.00 0.00 O ATOM 1002 CB ASP A 64 3.798 1.932 -2.232 1.00 0.00 C ATOM 1003 CG ASP A 64 2.718 0.907 -1.947 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.917 -0.277 -2.290 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.674 1.289 -1.379 1.00 0.00 O ATOM 0 H ASP A 64 5.889 3.264 -2.590 1.00 0.00 H new ATOM 0 HA ASP A 64 5.337 0.686 -1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.774 2.705 -1.464 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.588 2.422 -3.183 1.00 0.00 H new ATOM 1010 N LEU A 65 5.698 1.049 -4.638 1.00 0.00 N ATOM 1011 CA LEU A 65 5.863 0.324 -5.893 1.00 0.00 C ATOM 1012 C LEU A 65 6.596 -0.995 -5.667 1.00 0.00 C ATOM 1013 O LEU A 65 6.221 -2.027 -6.223 1.00 0.00 O ATOM 1014 CB LEU A 65 6.630 1.180 -6.902 1.00 0.00 C ATOM 1015 CG LEU A 65 6.825 0.569 -8.290 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.603 0.820 -9.160 1.00 0.00 C ATOM 1017 CD2 LEU A 65 8.076 1.131 -8.950 1.00 0.00 C ATOM 0 H LEU A 65 5.886 2.050 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 65 4.872 0.105 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.106 2.129 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.612 1.405 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 65 6.951 -0.508 -8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.760 0.378 -10.144 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.726 0.369 -8.695 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.446 1.893 -9.265 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.199 0.685 -9.937 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.980 2.212 -9.050 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.947 0.899 -8.336 1.00 0.00 H new ATOM 1029 N GLU A 66 7.641 -0.952 -4.847 1.00 0.00 N ATOM 1030 CA GLU A 66 8.425 -2.145 -4.547 1.00 0.00 C ATOM 1031 C GLU A 66 7.523 -3.368 -4.408 1.00 0.00 C ATOM 1032 O GLU A 66 7.610 -4.310 -5.197 1.00 0.00 O ATOM 1033 CB GLU A 66 9.230 -1.943 -3.261 1.00 0.00 C ATOM 1034 CG GLU A 66 10.127 -0.717 -3.291 1.00 0.00 C ATOM 1035 CD GLU A 66 11.290 -0.822 -2.324 1.00 0.00 C ATOM 1036 OE1 GLU A 66 11.052 -1.134 -1.139 1.00 0.00 O ATOM 1037 OE2 GLU A 66 12.440 -0.593 -2.754 1.00 0.00 O ATOM 0 H GLU A 66 7.964 -0.105 -4.379 1.00 0.00 H new ATOM 0 HA GLU A 66 9.113 -2.314 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.541 -1.858 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.843 -2.827 -3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.511 -0.577 -4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.537 0.167 -3.049 1.00 0.00 H new ATOM 1044 N ARG A 67 6.657 -3.347 -3.400 1.00 0.00 N ATOM 1045 CA ARG A 67 5.740 -4.454 -3.157 1.00 0.00 C ATOM 1046 C ARG A 67 5.089 -4.917 -4.457 1.00 0.00 C ATOM 1047 O ARG A 67 5.107 -6.104 -4.784 1.00 0.00 O ATOM 1048 CB ARG A 67 4.662 -4.040 -2.154 1.00 0.00 C ATOM 1049 CG ARG A 67 4.069 -5.206 -1.380 1.00 0.00 C ATOM 1050 CD ARG A 67 3.230 -4.727 -0.206 1.00 0.00 C ATOM 1051 NE ARG A 67 2.178 -5.679 0.140 1.00 0.00 N ATOM 1052 CZ ARG A 67 1.076 -5.850 -0.582 1.00 0.00 C ATOM 1053 NH1 ARG A 67 0.882 -5.136 -1.682 1.00 0.00 N ATOM 1054 NH2 ARG A 67 0.164 -6.736 -0.202 1.00 0.00 N ATOM 0 H ARG A 67 6.571 -2.575 -2.738 1.00 0.00 H new ATOM 0 HA ARG A 67 6.313 -5.283 -2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.089 -3.327 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.863 -3.524 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.453 -5.810 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.871 -5.849 -1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.874 -4.568 0.659 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.781 -3.764 -0.450 1.00 0.00 H new ATOM 0 HE ARG A 67 2.296 -6.243 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.580 -4.453 -1.976 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.035 -5.270 -2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.309 -7.286 0.645 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.682 -6.867 -0.757 1.00 0.00 H new ATOM 1068 N TYR A 68 4.516 -3.973 -5.195 1.00 0.00 N ATOM 1069 CA TYR A 68 3.857 -4.284 -6.458 1.00 0.00 C ATOM 1070 C TYR A 68 4.777 -5.093 -7.367 1.00 0.00 C ATOM 1071 O TYR A 68 4.359 -6.078 -7.974 1.00 0.00 O ATOM 1072 CB TYR A 68 3.426 -2.997 -7.163 1.00 0.00 C ATOM 1073 CG TYR A 68 2.969 -3.212 -8.588 1.00 0.00 C ATOM 1074 CD1 TYR A 68 3.887 -3.328 -9.624 1.00 0.00 C ATOM 1075 CD2 TYR A 68 1.617 -3.300 -8.898 1.00 0.00 C ATOM 1076 CE1 TYR A 68 3.473 -3.524 -10.927 1.00 0.00 C ATOM 1077 CE2 TYR A 68 1.194 -3.497 -10.199 1.00 0.00 C ATOM 1078 CZ TYR A 68 2.126 -3.608 -11.210 1.00 0.00 C ATOM 1079 OH TYR A 68 1.709 -3.804 -12.506 1.00 0.00 O ATOM 0 H TYR A 68 4.495 -2.986 -4.940 1.00 0.00 H new ATOM 0 HA TYR A 68 2.973 -4.884 -6.240 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.617 -2.536 -6.596 1.00 0.00 H new ATOM 0 HB3 TYR A 68 4.259 -2.294 -7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 68 4.943 -3.264 -9.407 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.885 -3.213 -8.109 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.201 -3.611 -11.720 1.00 0.00 H new ATOM 0 HE2 TYR A 68 0.140 -3.564 -10.423 1.00 0.00 H new ATOM 0 HH TYR A 68 1.946 -4.711 -12.792 1.00 0.00 H new ATOM 1089 N ASN A 69 6.033 -4.668 -7.455 1.00 0.00 N ATOM 1090 CA ASN A 69 7.014 -5.352 -8.290 1.00 0.00 C ATOM 1091 C ASN A 69 7.199 -6.797 -7.840 1.00 0.00 C ATOM 1092 O ASN A 69 7.297 -7.707 -8.663 1.00 0.00 O ATOM 1093 CB ASN A 69 8.355 -4.616 -8.244 1.00 0.00 C ATOM 1094 CG ASN A 69 8.298 -3.266 -8.932 1.00 0.00 C ATOM 1095 OD1 ASN A 69 7.771 -3.142 -10.038 1.00 0.00 O ATOM 1096 ND2 ASN A 69 8.841 -2.245 -8.278 1.00 0.00 N ATOM 0 H ASN A 69 6.395 -3.854 -6.959 1.00 0.00 H new ATOM 0 HA ASN A 69 6.643 -5.354 -9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.655 -4.479 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.120 -5.231 -8.719 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.832 -1.312 -8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.267 -2.394 -7.363 1.00 0.00 H new ATOM 1103 N SER A 70 7.245 -7.001 -6.527 1.00 0.00 N ATOM 1104 CA SER A 70 7.421 -8.336 -5.966 1.00 0.00 C ATOM 1105 C SER A 70 6.415 -9.314 -6.565 1.00 0.00 C ATOM 1106 O SER A 70 6.616 -10.527 -6.529 1.00 0.00 O ATOM 1107 CB SER A 70 7.268 -8.297 -4.445 1.00 0.00 C ATOM 1108 OG SER A 70 7.718 -9.505 -3.856 1.00 0.00 O ATOM 0 H SER A 70 7.163 -6.259 -5.832 1.00 0.00 H new ATOM 0 HA SER A 70 8.426 -8.678 -6.214 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.835 -7.458 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.223 -8.130 -4.186 1.00 0.00 H new ATOM 0 HG SER A 70 7.611 -9.454 -2.883 1.00 0.00 H new ATOM 1114 N GLN A 71 5.332 -8.775 -7.116 1.00 0.00 N ATOM 1115 CA GLN A 71 4.293 -9.600 -7.722 1.00 0.00 C ATOM 1116 C GLN A 71 4.601 -9.869 -9.191 1.00 0.00 C ATOM 1117 O GLN A 71 4.644 -11.020 -9.625 1.00 0.00 O ATOM 1118 CB GLN A 71 2.930 -8.919 -7.590 1.00 0.00 C ATOM 1119 CG GLN A 71 2.210 -9.243 -6.291 1.00 0.00 C ATOM 1120 CD GLN A 71 0.893 -8.506 -6.154 1.00 0.00 C ATOM 1121 OE1 GLN A 71 -0.166 -9.122 -6.031 1.00 0.00 O ATOM 1122 NE2 GLN A 71 0.952 -7.180 -6.174 1.00 0.00 N ATOM 0 H GLN A 71 5.151 -7.772 -7.155 1.00 0.00 H new ATOM 0 HA GLN A 71 4.267 -10.554 -7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.064 -7.840 -7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.301 -9.218 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.028 -10.316 -6.239 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.854 -8.987 -5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.852 -6.711 -6.278 1.00 0.00 H new ATOM 0 HE22 GLN A 71 0.098 -6.630 -6.085 1.00 0.00 H new ATOM 1131 N MET A 72 4.813 -8.801 -9.952 1.00 0.00 N ATOM 1132 CA MET A 72 5.117 -8.923 -11.373 1.00 0.00 C ATOM 1133 C MET A 72 6.116 -10.049 -11.620 1.00 0.00 C ATOM 1134 O MET A 72 6.049 -10.741 -12.636 1.00 0.00 O ATOM 1135 CB MET A 72 5.674 -7.604 -11.912 1.00 0.00 C ATOM 1136 CG MET A 72 4.713 -6.435 -11.768 1.00 0.00 C ATOM 1137 SD MET A 72 3.029 -6.855 -12.257 1.00 0.00 S ATOM 1138 CE MET A 72 3.297 -7.441 -13.928 1.00 0.00 C ATOM 0 H MET A 72 4.780 -7.841 -9.609 1.00 0.00 H new ATOM 0 HA MET A 72 4.192 -9.160 -11.898 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.600 -7.369 -11.388 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.926 -7.729 -12.965 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.712 -6.096 -10.732 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.067 -5.602 -12.376 1.00 0.00 H new ATOM 0 HE1 MET A 72 2.466 -7.128 -14.561 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.226 -7.023 -14.316 1.00 0.00 H new ATOM 0 HE3 MET A 72 3.362 -8.529 -13.926 1.00 0.00 H new ATOM 1148 N LYS A 73 7.043 -10.227 -10.685 1.00 0.00 N ATOM 1149 CA LYS A 73 8.056 -11.269 -10.801 1.00 0.00 C ATOM 1150 C LYS A 73 7.450 -12.560 -11.341 1.00 0.00 C ATOM 1151 O LYS A 73 7.657 -12.916 -12.501 1.00 0.00 O ATOM 1152 CB LYS A 73 8.707 -11.529 -9.440 1.00 0.00 C ATOM 1153 CG LYS A 73 9.884 -10.616 -9.144 1.00 0.00 C ATOM 1154 CD LYS A 73 10.522 -10.946 -7.805 1.00 0.00 C ATOM 1155 CE LYS A 73 11.512 -12.094 -7.926 1.00 0.00 C ATOM 1156 NZ LYS A 73 12.029 -12.524 -6.597 1.00 0.00 N ATOM 0 H LYS A 73 7.114 -9.663 -9.838 1.00 0.00 H new ATOM 0 HA LYS A 73 8.817 -10.925 -11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 73 7.957 -11.406 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.043 -12.565 -9.399 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.627 -10.711 -9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.550 -9.579 -9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.032 -10.064 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.746 -11.208 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.030 -12.939 -8.419 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.346 -11.789 -8.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.701 -13.308 -6.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.511 -11.726 -6.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.237 -12.839 -6.002 1.00 0.00 H new ATOM 1170 N ARG A 74 6.699 -13.256 -10.494 1.00 0.00 N ATOM 1171 CA ARG A 74 6.062 -14.507 -10.887 1.00 0.00 C ATOM 1172 C ARG A 74 5.157 -14.299 -12.098 1.00 0.00 C ATOM 1173 O ARG A 74 4.860 -15.241 -12.833 1.00 0.00 O ATOM 1174 CB ARG A 74 5.251 -15.080 -9.724 1.00 0.00 C ATOM 1175 CG ARG A 74 4.058 -14.223 -9.333 1.00 0.00 C ATOM 1176 CD ARG A 74 2.808 -14.627 -10.101 1.00 0.00 C ATOM 1177 NE ARG A 74 2.199 -15.837 -9.557 1.00 0.00 N ATOM 1178 CZ ARG A 74 1.540 -15.875 -8.404 1.00 0.00 C ATOM 1179 NH1 ARG A 74 1.405 -14.774 -7.678 1.00 0.00 N ATOM 1180 NH2 ARG A 74 1.014 -17.015 -7.976 1.00 0.00 N ATOM 0 H ARG A 74 6.517 -12.975 -9.531 1.00 0.00 H new ATOM 0 HA ARG A 74 6.846 -15.215 -11.157 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.899 -16.076 -9.993 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.904 -15.195 -8.859 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.876 -14.318 -8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.283 -13.174 -9.527 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.085 -13.812 -10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.062 -14.789 -11.148 1.00 0.00 H new ATOM 0 HE ARG A 74 2.284 -16.701 -10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.807 -13.895 -8.004 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.899 -14.805 -6.793 1.00 0.00 H new ATOM 0 HH21 ARG A 74 1.115 -17.864 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.508 -17.043 -7.091 1.00 0.00 H new ATOM 1194 N ALA A 75 4.722 -13.060 -12.299 1.00 0.00 N ATOM 1195 CA ALA A 75 3.852 -12.728 -13.421 1.00 0.00 C ATOM 1196 C ALA A 75 4.637 -12.671 -14.726 1.00 0.00 C ATOM 1197 O ALA A 75 4.063 -12.765 -15.812 1.00 0.00 O ATOM 1198 CB ALA A 75 3.148 -11.403 -13.169 1.00 0.00 C ATOM 0 H ALA A 75 4.958 -12.269 -11.700 1.00 0.00 H new ATOM 0 HA ALA A 75 3.102 -13.514 -13.512 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.502 -11.168 -14.015 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.547 -11.477 -12.263 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.890 -10.614 -13.049 1.00 0.00 H new ATOM 1204 N ILE A 76 5.952 -12.517 -14.614 1.00 0.00 N ATOM 1205 CA ILE A 76 6.816 -12.449 -15.786 1.00 0.00 C ATOM 1206 C ILE A 76 6.680 -13.704 -16.643 1.00 0.00 C ATOM 1207 O ILE A 76 6.949 -13.679 -17.843 1.00 0.00 O ATOM 1208 CB ILE A 76 8.293 -12.271 -15.388 1.00 0.00 C ATOM 1209 CG1 ILE A 76 8.504 -10.907 -14.728 1.00 0.00 C ATOM 1210 CG2 ILE A 76 9.192 -12.421 -16.607 1.00 0.00 C ATOM 1211 CD1 ILE A 76 8.167 -9.740 -15.629 1.00 0.00 C ATOM 0 H ILE A 76 6.442 -12.437 -13.723 1.00 0.00 H new ATOM 0 HA ILE A 76 6.497 -11.581 -16.363 1.00 0.00 H new ATOM 0 HB ILE A 76 8.557 -13.047 -14.669 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.891 -10.849 -13.828 1.00 0.00 H new ATOM 0 HG13 ILE A 76 9.544 -10.823 -14.412 1.00 0.00 H new ATOM 0 HG21 ILE A 76 10.233 -12.293 -16.310 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.058 -13.413 -17.038 1.00 0.00 H new ATOM 0 HG23 ILE A 76 8.930 -11.665 -17.347 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.341 -8.806 -15.095 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.798 -9.772 -16.518 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.120 -9.799 -15.925 1.00 0.00 H new ATOM 1223 N GLU A 77 6.258 -14.798 -16.017 1.00 0.00 N ATOM 1224 CA GLU A 77 6.085 -16.062 -16.724 1.00 0.00 C ATOM 1225 C GLU A 77 4.701 -16.145 -17.360 1.00 0.00 C ATOM 1226 O GLU A 77 3.926 -15.190 -17.310 1.00 0.00 O ATOM 1227 CB GLU A 77 6.290 -17.239 -15.767 1.00 0.00 C ATOM 1228 CG GLU A 77 7.745 -17.479 -15.401 1.00 0.00 C ATOM 1229 CD GLU A 77 8.243 -16.524 -14.333 1.00 0.00 C ATOM 1230 OE1 GLU A 77 7.449 -16.174 -13.435 1.00 0.00 O ATOM 1231 OE2 GLU A 77 9.426 -16.128 -14.395 1.00 0.00 O ATOM 0 H GLU A 77 6.030 -14.835 -15.024 1.00 0.00 H new ATOM 0 HA GLU A 77 6.833 -16.111 -17.515 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.720 -17.059 -14.856 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.885 -18.142 -16.223 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.863 -18.504 -15.050 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.362 -17.374 -16.293 1.00 0.00 H new ATOM 1238 N GLN A 78 4.398 -17.293 -17.957 1.00 0.00 N ATOM 1239 CA GLN A 78 3.108 -17.500 -18.604 1.00 0.00 C ATOM 1240 C GLN A 78 2.016 -17.758 -17.571 1.00 0.00 C ATOM 1241 O GLN A 78 1.249 -18.713 -17.691 1.00 0.00 O ATOM 1242 CB GLN A 78 3.187 -18.673 -19.583 1.00 0.00 C ATOM 1243 CG GLN A 78 3.349 -20.023 -18.904 1.00 0.00 C ATOM 1244 CD GLN A 78 4.014 -21.051 -19.798 1.00 0.00 C ATOM 1245 OE1 GLN A 78 3.707 -21.148 -20.986 1.00 0.00 O ATOM 1246 NE2 GLN A 78 4.932 -21.825 -19.230 1.00 0.00 N ATOM 0 H GLN A 78 5.028 -18.094 -18.006 1.00 0.00 H new ATOM 0 HA GLN A 78 2.856 -16.593 -19.154 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.283 -18.688 -20.192 1.00 0.00 H new ATOM 0 HB3 GLN A 78 4.026 -18.514 -20.261 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.940 -19.900 -17.996 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.370 -20.392 -18.599 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.155 -21.710 -18.241 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.414 -22.534 -19.782 1.00 0.00 H new ATOM 1255 N GLU A 79 1.953 -16.900 -16.557 1.00 0.00 N ATOM 1256 CA GLU A 79 0.955 -17.037 -15.503 1.00 0.00 C ATOM 1257 C GLU A 79 -0.113 -15.954 -15.621 1.00 0.00 C ATOM 1258 O GLU A 79 -1.293 -16.248 -15.810 1.00 0.00 O ATOM 1259 CB GLU A 79 1.621 -16.964 -14.127 1.00 0.00 C ATOM 1260 CG GLU A 79 2.671 -18.039 -13.902 1.00 0.00 C ATOM 1261 CD GLU A 79 2.889 -18.342 -12.432 1.00 0.00 C ATOM 1262 OE1 GLU A 79 3.702 -17.641 -11.795 1.00 0.00 O ATOM 1263 OE2 GLU A 79 2.246 -19.282 -11.920 1.00 0.00 O ATOM 0 H GLU A 79 2.581 -16.104 -16.444 1.00 0.00 H new ATOM 0 HA GLU A 79 0.476 -18.009 -15.616 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.084 -15.985 -14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.855 -17.049 -13.357 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.368 -18.951 -14.416 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.613 -17.720 -14.347 1.00 0.00 H new ATOM 1270 N SER A 80 0.310 -14.699 -15.507 1.00 0.00 N ATOM 1271 CA SER A 80 -0.610 -13.571 -15.597 1.00 0.00 C ATOM 1272 C SER A 80 -1.547 -13.727 -16.790 1.00 0.00 C ATOM 1273 O SER A 80 -1.243 -14.447 -17.741 1.00 0.00 O ATOM 1274 CB SER A 80 0.168 -12.259 -15.714 1.00 0.00 C ATOM 1275 OG SER A 80 0.707 -12.099 -17.015 1.00 0.00 O ATOM 0 H SER A 80 1.284 -14.438 -15.352 1.00 0.00 H new ATOM 0 HA SER A 80 -1.209 -13.550 -14.687 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.490 -11.421 -15.484 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.973 -12.243 -14.979 1.00 0.00 H new ATOM 0 HG SER A 80 1.198 -11.252 -17.064 1.00 0.00 H new ATOM 1281 N GLN A 81 -2.688 -13.048 -16.731 1.00 0.00 N ATOM 1282 CA GLN A 81 -3.671 -13.113 -17.807 1.00 0.00 C ATOM 1283 C GLN A 81 -3.320 -12.136 -18.924 1.00 0.00 C ATOM 1284 O GLN A 81 -4.135 -11.296 -19.306 1.00 0.00 O ATOM 1285 CB GLN A 81 -5.069 -12.808 -17.267 1.00 0.00 C ATOM 1286 CG GLN A 81 -5.660 -13.935 -16.436 1.00 0.00 C ATOM 1287 CD GLN A 81 -4.708 -14.432 -15.366 1.00 0.00 C ATOM 1288 OE1 GLN A 81 -3.845 -15.270 -15.627 1.00 0.00 O ATOM 1289 NE2 GLN A 81 -4.861 -13.916 -14.152 1.00 0.00 N ATOM 0 H GLN A 81 -2.955 -12.447 -15.951 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.659 -14.123 -18.216 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.025 -11.904 -16.659 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.735 -12.597 -18.104 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.581 -13.590 -15.966 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.928 -14.763 -17.092 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.590 -13.223 -13.980 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.250 -14.212 -13.391 1.00 0.00 H new ATOM 1298 N MET A 82 -2.102 -12.251 -19.444 1.00 0.00 N ATOM 1299 CA MET A 82 -1.644 -11.378 -20.518 1.00 0.00 C ATOM 1300 C MET A 82 -2.364 -11.699 -21.824 1.00 0.00 C ATOM 1301 O MET A 82 -2.513 -10.837 -22.690 1.00 0.00 O ATOM 1302 CB MET A 82 -0.132 -11.517 -20.707 1.00 0.00 C ATOM 1303 CG MET A 82 0.301 -12.908 -21.141 1.00 0.00 C ATOM 1304 SD MET A 82 2.013 -13.269 -20.708 1.00 0.00 S ATOM 1305 CE MET A 82 2.131 -14.988 -21.197 1.00 0.00 C ATOM 0 H MET A 82 -1.415 -12.940 -19.139 1.00 0.00 H new ATOM 0 HA MET A 82 -1.875 -10.350 -20.240 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.201 -10.793 -21.451 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.367 -11.265 -19.771 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.351 -13.648 -20.677 1.00 0.00 H new ATOM 0 HG3 MET A 82 0.175 -13.003 -22.219 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.141 -15.352 -21.007 1.00 0.00 H new ATOM 0 HE2 MET A 82 1.418 -15.580 -20.622 1.00 0.00 H new ATOM 0 HE3 MET A 82 1.906 -15.080 -22.259 1.00 0.00 H new ATOM 1315 N SER A 83 -2.807 -12.945 -21.959 1.00 0.00 N ATOM 1316 CA SER A 83 -3.507 -13.381 -23.161 1.00 0.00 C ATOM 1317 C SER A 83 -2.818 -12.850 -24.414 1.00 0.00 C ATOM 1318 O SER A 83 -3.466 -12.315 -25.315 1.00 0.00 O ATOM 1319 CB SER A 83 -4.963 -12.911 -23.128 1.00 0.00 C ATOM 1320 OG SER A 83 -5.784 -13.843 -22.447 1.00 0.00 O ATOM 0 H SER A 83 -2.693 -13.670 -21.251 1.00 0.00 H new ATOM 0 HA SER A 83 -3.485 -14.470 -23.189 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.024 -11.940 -22.636 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.328 -12.776 -24.146 1.00 0.00 H new ATOM 0 HG SER A 83 -6.709 -13.519 -22.438 1.00 0.00 H new ATOM 1326 N LEU A 84 -1.499 -13.001 -24.465 1.00 0.00 N ATOM 1327 CA LEU A 84 -0.719 -12.537 -25.608 1.00 0.00 C ATOM 1328 C LEU A 84 0.404 -13.516 -25.933 1.00 0.00 C ATOM 1329 O LEU A 84 1.387 -13.618 -25.198 1.00 0.00 O ATOM 1330 CB LEU A 84 -0.137 -11.151 -25.323 1.00 0.00 C ATOM 1331 CG LEU A 84 0.285 -10.337 -26.547 1.00 0.00 C ATOM 1332 CD1 LEU A 84 -0.887 -9.529 -27.081 1.00 0.00 C ATOM 1333 CD2 LEU A 84 1.453 -9.424 -26.203 1.00 0.00 C ATOM 0 H LEU A 84 -0.947 -13.441 -23.729 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.383 -12.475 -26.470 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.876 -10.576 -24.766 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.730 -11.269 -24.673 1.00 0.00 H new ATOM 0 HG LEU A 84 0.607 -11.028 -27.326 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.568 -8.956 -27.952 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.694 -10.204 -27.367 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.241 -8.847 -26.308 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.740 -8.852 -27.086 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.158 -8.740 -25.408 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.299 -10.025 -25.869 1.00 0.00 H new ATOM 1345 N LYS A 85 0.254 -14.233 -27.042 1.00 0.00 N ATOM 1346 CA LYS A 85 1.257 -15.202 -27.469 1.00 0.00 C ATOM 1347 C LYS A 85 2.470 -14.500 -28.070 1.00 0.00 C ATOM 1348 O LYS A 85 2.342 -13.455 -28.709 1.00 0.00 O ATOM 1349 CB LYS A 85 0.657 -16.171 -28.490 1.00 0.00 C ATOM 1350 CG LYS A 85 -0.337 -17.149 -27.890 1.00 0.00 C ATOM 1351 CD LYS A 85 -0.504 -18.382 -28.763 1.00 0.00 C ATOM 1352 CE LYS A 85 -1.577 -18.175 -29.821 1.00 0.00 C ATOM 1353 NZ LYS A 85 -1.687 -19.345 -30.735 1.00 0.00 N ATOM 0 H LYS A 85 -0.553 -14.161 -27.662 1.00 0.00 H new ATOM 0 HA LYS A 85 1.581 -15.763 -26.592 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.162 -15.598 -29.274 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.463 -16.731 -28.964 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.000 -17.448 -26.897 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.302 -16.658 -27.765 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.444 -18.618 -29.246 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.766 -19.237 -28.140 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.537 -18.002 -29.335 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.347 -17.281 -30.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.429 -19.165 -31.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.778 -19.495 -31.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -1.931 -20.193 -30.185 1.00 0.00 H new ATOM 1367 N ASP A 86 3.647 -15.080 -27.862 1.00 0.00 N ATOM 1368 CA ASP A 86 4.883 -14.511 -28.385 1.00 0.00 C ATOM 1369 C ASP A 86 5.816 -15.609 -28.889 1.00 0.00 C ATOM 1370 O ASP A 86 5.614 -16.788 -28.603 1.00 0.00 O ATOM 1371 CB ASP A 86 5.586 -13.684 -27.307 1.00 0.00 C ATOM 1372 CG ASP A 86 7.052 -13.456 -27.616 1.00 0.00 C ATOM 1373 OD1 ASP A 86 7.845 -14.411 -27.470 1.00 0.00 O ATOM 1374 OD2 ASP A 86 7.408 -12.324 -28.005 1.00 0.00 O ATOM 0 H ASP A 86 3.771 -15.944 -27.335 1.00 0.00 H new ATOM 0 HA ASP A 86 4.629 -13.861 -29.222 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.085 -12.721 -27.207 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.495 -14.192 -26.347 1.00 0.00 H new ATOM 1379 N SER A 87 6.836 -15.211 -29.642 1.00 0.00 N ATOM 1380 CA SER A 87 7.797 -16.161 -30.191 1.00 0.00 C ATOM 1381 C SER A 87 9.225 -15.655 -30.010 1.00 0.00 C ATOM 1382 O SER A 87 9.445 -14.501 -29.646 1.00 0.00 O ATOM 1383 CB SER A 87 7.514 -16.406 -31.674 1.00 0.00 C ATOM 1384 OG SER A 87 7.828 -15.261 -32.449 1.00 0.00 O ATOM 0 H SER A 87 7.019 -14.238 -29.886 1.00 0.00 H new ATOM 0 HA SER A 87 7.692 -17.101 -29.649 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.099 -17.257 -32.023 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.464 -16.664 -31.809 1.00 0.00 H new ATOM 0 HG SER A 87 7.640 -15.444 -33.393 1.00 0.00 H new ATOM 1390 N GLY A 88 10.193 -16.529 -30.268 1.00 0.00 N ATOM 1391 CA GLY A 88 11.588 -16.154 -30.128 1.00 0.00 C ATOM 1392 C GLY A 88 12.359 -16.293 -31.426 1.00 0.00 C ATOM 1393 O GLY A 88 12.094 -17.180 -32.238 1.00 0.00 O ATOM 0 H GLY A 88 10.036 -17.490 -30.571 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.651 -15.123 -29.780 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.054 -16.777 -29.364 1.00 0.00 H new ATOM 1397 N PRO A 89 13.337 -15.400 -31.637 1.00 0.00 N ATOM 1398 CA PRO A 89 14.167 -15.406 -32.845 1.00 0.00 C ATOM 1399 C PRO A 89 15.114 -16.600 -32.892 1.00 0.00 C ATOM 1400 O PRO A 89 15.084 -17.463 -32.014 1.00 0.00 O ATOM 1401 CB PRO A 89 14.958 -14.100 -32.738 1.00 0.00 C ATOM 1402 CG PRO A 89 15.002 -13.802 -31.279 1.00 0.00 C ATOM 1403 CD PRO A 89 13.707 -14.316 -30.712 1.00 0.00 C ATOM 0 HA PRO A 89 13.567 -15.484 -33.752 1.00 0.00 H new ATOM 0 HB2 PRO A 89 15.961 -14.210 -33.150 1.00 0.00 H new ATOM 0 HB3 PRO A 89 14.472 -13.297 -33.292 1.00 0.00 H new ATOM 0 HG2 PRO A 89 15.855 -14.289 -30.807 1.00 0.00 H new ATOM 0 HG3 PRO A 89 15.108 -12.732 -31.102 1.00 0.00 H new ATOM 0 HD2 PRO A 89 13.832 -14.682 -29.693 1.00 0.00 H new ATOM 0 HD3 PRO A 89 12.945 -13.537 -30.680 1.00 0.00 H new ATOM 1411 N SER A 90 15.955 -16.643 -33.920 1.00 0.00 N ATOM 1412 CA SER A 90 16.909 -17.734 -34.083 1.00 0.00 C ATOM 1413 C SER A 90 18.251 -17.212 -34.587 1.00 0.00 C ATOM 1414 O SER A 90 18.380 -16.040 -34.941 1.00 0.00 O ATOM 1415 CB SER A 90 16.359 -18.781 -35.054 1.00 0.00 C ATOM 1416 OG SER A 90 15.592 -19.757 -34.370 1.00 0.00 O ATOM 0 H SER A 90 15.995 -15.935 -34.653 1.00 0.00 H new ATOM 0 HA SER A 90 17.062 -18.198 -33.109 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.743 -18.293 -35.809 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.183 -19.264 -35.579 1.00 0.00 H new ATOM 0 HG SER A 90 15.250 -20.414 -35.012 1.00 0.00 H new ATOM 1422 N SER A 91 19.248 -18.091 -34.616 1.00 0.00 N ATOM 1423 CA SER A 91 20.581 -17.719 -35.073 1.00 0.00 C ATOM 1424 C SER A 91 21.288 -18.909 -35.714 1.00 0.00 C ATOM 1425 O SER A 91 20.849 -20.051 -35.582 1.00 0.00 O ATOM 1426 CB SER A 91 21.414 -17.187 -33.904 1.00 0.00 C ATOM 1427 OG SER A 91 21.279 -18.016 -32.763 1.00 0.00 O ATOM 0 H SER A 91 19.157 -19.065 -34.328 1.00 0.00 H new ATOM 0 HA SER A 91 20.475 -16.935 -35.822 1.00 0.00 H new ATOM 0 HB2 SER A 91 22.463 -17.133 -34.196 1.00 0.00 H new ATOM 0 HB3 SER A 91 21.098 -16.173 -33.660 1.00 0.00 H new ATOM 0 HG SER A 91 21.822 -17.656 -32.031 1.00 0.00 H new ATOM 1433 N GLY A 92 22.386 -18.633 -36.411 1.00 0.00 N ATOM 1434 CA GLY A 92 23.136 -19.690 -37.064 1.00 0.00 C ATOM 1435 C GLY A 92 24.551 -19.808 -36.534 1.00 0.00 C ATOM 1436 O GLY A 92 25.337 -18.866 -36.629 1.00 0.00 O ATOM 0 H GLY A 92 22.770 -17.696 -36.535 1.00 0.00 H new ATOM 0 HA2 GLY A 92 22.618 -20.639 -36.924 1.00 0.00 H new ATOM 0 HA3 GLY A 92 23.168 -19.500 -38.137 1.00 0.00 H new TER 1440 GLY A 92