USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 610 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 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0636) USER MOD Set 1.2: A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00539 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.523 K(o=-0.52,f=-2!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 19 MET CE :methyl -111:sc= -0.0572 (180deg=-1.7) USER MOD Single : A 23 THR OG1 : rot 78:sc= 1.05 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -8.26! C(o=-8.3!,f=-18!) USER MOD Single : A 27 ASN : amide:sc= 1.06 K(o=1.1,f=-0.012) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0226 (180deg=-0.215) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= -0.0537 (180deg=-0.339) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 48 LYS NZ :NH3+ 149:sc= -0.0991 (180deg=-0.422) USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.352) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.512 K(o=-0.51,f=-1.6) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= -0.0195 (180deg=-0.196) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00184) USER MOD Single : A 73 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.021) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.599 8.946 -3.198 1.00 0.00 N ATOM 2 CA GLY A 1 -18.889 8.786 -3.844 1.00 0.00 C ATOM 3 C GLY A 1 -18.763 8.398 -5.303 1.00 0.00 C ATOM 4 O GLY A 1 -18.263 7.320 -5.625 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.740 9.211 -2.202 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.073 8.050 -3.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.059 9.691 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.464 8.024 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.449 9.718 -3.766 1.00 0.00 H new ATOM 8 N SER A 2 -19.218 9.278 -6.190 1.00 0.00 N ATOM 9 CA SER A 2 -19.159 9.019 -7.623 1.00 0.00 C ATOM 10 C SER A 2 -17.871 9.575 -8.223 1.00 0.00 C ATOM 11 O SER A 2 -17.687 10.789 -8.311 1.00 0.00 O ATOM 12 CB SER A 2 -20.370 9.637 -8.325 1.00 0.00 C ATOM 13 OG SER A 2 -20.257 9.522 -9.733 1.00 0.00 O ATOM 0 H SER A 2 -19.631 10.176 -5.941 1.00 0.00 H new ATOM 0 HA SER A 2 -19.173 7.939 -7.773 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.281 9.142 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.457 10.688 -8.049 1.00 0.00 H new ATOM 0 HG SER A 2 -21.044 9.923 -10.158 1.00 0.00 H new ATOM 19 N SER A 3 -16.981 8.677 -8.634 1.00 0.00 N ATOM 20 CA SER A 3 -15.708 9.076 -9.222 1.00 0.00 C ATOM 21 C SER A 3 -15.863 9.359 -10.713 1.00 0.00 C ATOM 22 O SER A 3 -15.347 10.351 -11.226 1.00 0.00 O ATOM 23 CB SER A 3 -14.657 7.985 -9.005 1.00 0.00 C ATOM 24 OG SER A 3 -14.118 8.050 -7.696 1.00 0.00 O ATOM 0 H SER A 3 -17.118 7.668 -8.570 1.00 0.00 H new ATOM 0 HA SER A 3 -15.379 9.991 -8.729 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.106 7.005 -9.169 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.857 8.095 -9.737 1.00 0.00 H new ATOM 0 HG SER A 3 -13.450 7.342 -7.582 1.00 0.00 H new ATOM 30 N GLY A 4 -16.578 8.477 -11.405 1.00 0.00 N ATOM 31 CA GLY A 4 -16.789 8.648 -12.831 1.00 0.00 C ATOM 32 C GLY A 4 -15.501 8.550 -13.623 1.00 0.00 C ATOM 33 O GLY A 4 -14.448 8.229 -13.073 1.00 0.00 O ATOM 0 H GLY A 4 -17.015 7.647 -11.004 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.488 7.891 -13.185 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.251 9.618 -13.013 1.00 0.00 H new ATOM 37 N SER A 5 -15.584 8.827 -14.921 1.00 0.00 N ATOM 38 CA SER A 5 -14.416 8.763 -15.792 1.00 0.00 C ATOM 39 C SER A 5 -13.300 9.664 -15.271 1.00 0.00 C ATOM 40 O SER A 5 -13.373 10.887 -15.380 1.00 0.00 O ATOM 41 CB SER A 5 -14.794 9.173 -17.217 1.00 0.00 C ATOM 42 OG SER A 5 -15.760 8.291 -17.762 1.00 0.00 O ATOM 0 H SER A 5 -16.447 9.098 -15.392 1.00 0.00 H new ATOM 0 HA SER A 5 -14.055 7.735 -15.800 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.186 10.190 -17.214 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.904 9.176 -17.846 1.00 0.00 H new ATOM 0 HG SER A 5 -15.986 8.575 -18.672 1.00 0.00 H new ATOM 48 N SER A 6 -12.267 9.047 -14.705 1.00 0.00 N ATOM 49 CA SER A 6 -11.137 9.792 -14.163 1.00 0.00 C ATOM 50 C SER A 6 -10.350 10.474 -15.278 1.00 0.00 C ATOM 51 O SER A 6 -9.662 9.818 -16.059 1.00 0.00 O ATOM 52 CB SER A 6 -10.217 8.859 -13.372 1.00 0.00 C ATOM 53 OG SER A 6 -10.810 8.482 -12.141 1.00 0.00 O ATOM 0 H SER A 6 -12.190 8.034 -14.610 1.00 0.00 H new ATOM 0 HA SER A 6 -11.527 10.560 -13.495 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.001 7.969 -13.963 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.265 9.355 -13.184 1.00 0.00 H new ATOM 0 HG SER A 6 -10.204 7.885 -11.655 1.00 0.00 H new ATOM 59 N GLY A 7 -10.458 11.798 -15.346 1.00 0.00 N ATOM 60 CA GLY A 7 -9.753 12.548 -16.369 1.00 0.00 C ATOM 61 C GLY A 7 -8.606 13.361 -15.803 1.00 0.00 C ATOM 62 O GLY A 7 -7.451 13.174 -16.190 1.00 0.00 O ATOM 0 H GLY A 7 -11.021 12.364 -14.711 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.370 11.859 -17.121 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.452 13.214 -16.874 1.00 0.00 H new ATOM 66 N THR A 8 -8.922 14.270 -14.885 1.00 0.00 N ATOM 67 CA THR A 8 -7.909 15.117 -14.268 1.00 0.00 C ATOM 68 C THR A 8 -7.441 14.534 -12.939 1.00 0.00 C ATOM 69 O THR A 8 -8.230 13.962 -12.187 1.00 0.00 O ATOM 70 CB THR A 8 -8.438 16.544 -14.032 1.00 0.00 C ATOM 71 OG1 THR A 8 -7.378 17.390 -13.575 1.00 0.00 O ATOM 72 CG2 THR A 8 -9.566 16.540 -13.011 1.00 0.00 C ATOM 0 H THR A 8 -9.872 14.438 -14.553 1.00 0.00 H new ATOM 0 HA THR A 8 -7.068 15.159 -14.960 1.00 0.00 H new ATOM 0 HB THR A 8 -8.825 16.926 -14.977 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.722 18.296 -13.429 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.924 17.558 -12.860 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.384 15.918 -13.375 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.199 16.141 -12.065 1.00 0.00 H new ATOM 80 N THR A 9 -6.151 14.684 -12.655 1.00 0.00 N ATOM 81 CA THR A 9 -5.577 14.172 -11.417 1.00 0.00 C ATOM 82 C THR A 9 -4.467 15.084 -10.907 1.00 0.00 C ATOM 83 O THR A 9 -3.752 15.706 -11.692 1.00 0.00 O ATOM 84 CB THR A 9 -5.012 12.751 -11.604 1.00 0.00 C ATOM 85 OG1 THR A 9 -5.998 11.909 -12.213 1.00 0.00 O ATOM 86 CG2 THR A 9 -4.585 12.158 -10.270 1.00 0.00 C ATOM 0 H THR A 9 -5.484 15.156 -13.266 1.00 0.00 H new ATOM 0 HA THR A 9 -6.384 14.141 -10.685 1.00 0.00 H new ATOM 0 HB THR A 9 -4.137 12.813 -12.252 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.631 11.008 -12.330 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.190 11.155 -10.428 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.814 12.786 -9.823 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.445 12.108 -9.602 1.00 0.00 H new ATOM 94 N ALA A 10 -4.328 15.159 -9.587 1.00 0.00 N ATOM 95 CA ALA A 10 -3.303 15.993 -8.973 1.00 0.00 C ATOM 96 C ALA A 10 -2.668 15.292 -7.777 1.00 0.00 C ATOM 97 O ALA A 10 -3.164 14.266 -7.310 1.00 0.00 O ATOM 98 CB ALA A 10 -3.893 17.330 -8.551 1.00 0.00 C ATOM 0 H ALA A 10 -4.913 14.652 -8.923 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.523 16.170 -9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.116 17.943 -8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.293 17.844 -9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.694 17.163 -7.831 1.00 0.00 H new ATOM 104 N LYS A 11 -1.567 15.851 -7.285 1.00 0.00 N ATOM 105 CA LYS A 11 -0.864 15.280 -6.143 1.00 0.00 C ATOM 106 C LYS A 11 -1.665 15.472 -4.859 1.00 0.00 C ATOM 107 O LYS A 11 -2.044 14.513 -4.187 1.00 0.00 O ATOM 108 CB LYS A 11 0.518 15.922 -5.995 1.00 0.00 C ATOM 109 CG LYS A 11 1.627 15.145 -6.683 1.00 0.00 C ATOM 110 CD LYS A 11 1.771 15.549 -8.140 1.00 0.00 C ATOM 111 CE LYS A 11 3.049 14.994 -8.749 1.00 0.00 C ATOM 112 NZ LYS A 11 3.436 15.724 -9.988 1.00 0.00 N ATOM 0 H LYS A 11 -1.143 16.699 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.745 14.211 -6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.486 16.932 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.755 16.015 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.569 15.316 -6.162 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.417 14.077 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.911 15.189 -8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.772 16.636 -8.219 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.857 15.061 -8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.913 13.937 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.312 15.316 -10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.676 15.639 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.591 16.728 -9.765 1.00 0.00 H new ATOM 126 N PRO A 12 -1.931 16.739 -4.510 1.00 0.00 N ATOM 127 CA PRO A 12 -2.691 17.086 -3.306 1.00 0.00 C ATOM 128 C PRO A 12 -4.163 16.706 -3.421 1.00 0.00 C ATOM 129 O PRO A 12 -4.945 16.931 -2.497 1.00 0.00 O ATOM 130 CB PRO A 12 -2.537 18.606 -3.215 1.00 0.00 C ATOM 131 CG PRO A 12 -2.282 19.046 -4.615 1.00 0.00 C ATOM 132 CD PRO A 12 -1.509 17.932 -5.265 1.00 0.00 C ATOM 0 HA PRO A 12 -2.328 16.554 -2.427 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.436 19.071 -2.811 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.713 18.882 -2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.218 19.231 -5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.716 19.977 -4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.748 17.842 -6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.433 18.094 -5.193 1.00 0.00 H new ATOM 140 N GLN A 13 -4.534 16.129 -4.559 1.00 0.00 N ATOM 141 CA GLN A 13 -5.913 15.718 -4.794 1.00 0.00 C ATOM 142 C GLN A 13 -6.050 14.201 -4.713 1.00 0.00 C ATOM 143 O GLN A 13 -6.886 13.683 -3.973 1.00 0.00 O ATOM 144 CB GLN A 13 -6.390 16.213 -6.160 1.00 0.00 C ATOM 145 CG GLN A 13 -7.832 15.846 -6.471 1.00 0.00 C ATOM 146 CD GLN A 13 -8.430 16.705 -7.568 1.00 0.00 C ATOM 147 OE1 GLN A 13 -8.719 17.884 -7.360 1.00 0.00 O ATOM 148 NE2 GLN A 13 -8.618 16.118 -8.744 1.00 0.00 N ATOM 0 H GLN A 13 -3.899 15.935 -5.333 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.535 16.163 -4.017 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.283 17.297 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.743 15.798 -6.933 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.880 14.798 -6.768 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.432 15.949 -5.567 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.364 15.138 -8.871 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.017 16.647 -9.520 1.00 0.00 H new ATOM 157 N GLN A 14 -5.225 13.496 -5.480 1.00 0.00 N ATOM 158 CA GLN A 14 -5.256 12.038 -5.496 1.00 0.00 C ATOM 159 C GLN A 14 -5.165 11.476 -4.081 1.00 0.00 C ATOM 160 O GLN A 14 -5.747 10.435 -3.777 1.00 0.00 O ATOM 161 CB GLN A 14 -4.110 11.492 -6.349 1.00 0.00 C ATOM 162 CG GLN A 14 -2.748 11.603 -5.682 1.00 0.00 C ATOM 163 CD GLN A 14 -1.715 10.688 -6.308 1.00 0.00 C ATOM 164 OE1 GLN A 14 -2.024 9.911 -7.212 1.00 0.00 O ATOM 165 NE2 GLN A 14 -0.479 10.775 -5.831 1.00 0.00 N ATOM 0 H GLN A 14 -4.527 13.910 -6.098 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.205 11.725 -5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.307 10.445 -6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.086 12.029 -7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.400 12.634 -5.745 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.846 11.363 -4.623 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.267 11.433 -5.081 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.258 10.184 -6.215 1.00 0.00 H new ATOM 174 N ILE A 15 -4.431 12.173 -3.219 1.00 0.00 N ATOM 175 CA ILE A 15 -4.264 11.743 -1.836 1.00 0.00 C ATOM 176 C ILE A 15 -5.537 11.092 -1.306 1.00 0.00 C ATOM 177 O ILE A 15 -5.486 10.052 -0.651 1.00 0.00 O ATOM 178 CB ILE A 15 -3.885 12.923 -0.922 1.00 0.00 C ATOM 179 CG1 ILE A 15 -2.431 13.335 -1.160 1.00 0.00 C ATOM 180 CG2 ILE A 15 -4.105 12.554 0.537 1.00 0.00 C ATOM 181 CD1 ILE A 15 -2.082 14.686 -0.577 1.00 0.00 C ATOM 0 H ILE A 15 -3.943 13.037 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.455 11.013 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.526 13.771 -1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.773 12.581 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.237 13.350 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.833 13.398 1.171 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.154 12.305 0.695 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.486 11.694 0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.036 14.912 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.715 15.451 -1.027 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.243 14.670 0.501 1.00 0.00 H new ATOM 193 N GLN A 16 -6.677 11.712 -1.595 1.00 0.00 N ATOM 194 CA GLN A 16 -7.963 11.191 -1.148 1.00 0.00 C ATOM 195 C GLN A 16 -8.286 9.871 -1.840 1.00 0.00 C ATOM 196 O GLN A 16 -8.650 8.891 -1.189 1.00 0.00 O ATOM 197 CB GLN A 16 -9.072 12.209 -1.422 1.00 0.00 C ATOM 198 CG GLN A 16 -10.439 11.767 -0.927 1.00 0.00 C ATOM 199 CD GLN A 16 -10.607 11.954 0.568 1.00 0.00 C ATOM 200 OE1 GLN A 16 -10.449 13.059 1.088 1.00 0.00 O ATOM 201 NE2 GLN A 16 -10.931 10.873 1.268 1.00 0.00 N ATOM 0 H GLN A 16 -6.736 12.575 -2.136 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.901 11.011 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.811 13.155 -0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.126 12.395 -2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.211 12.333 -1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.590 10.717 -1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.052 9.977 0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.059 10.939 2.278 1.00 0.00 H new ATOM 210 N ALA A 17 -8.152 9.852 -3.162 1.00 0.00 N ATOM 211 CA ALA A 17 -8.428 8.652 -3.941 1.00 0.00 C ATOM 212 C ALA A 17 -7.602 7.471 -3.441 1.00 0.00 C ATOM 213 O ALA A 17 -8.061 6.328 -3.458 1.00 0.00 O ATOM 214 CB ALA A 17 -8.151 8.905 -5.416 1.00 0.00 C ATOM 0 H ALA A 17 -7.854 10.655 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.482 8.403 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.361 8.000 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.788 9.715 -5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.105 9.182 -5.548 1.00 0.00 H new ATOM 220 N LEU A 18 -6.382 7.753 -2.998 1.00 0.00 N ATOM 221 CA LEU A 18 -5.492 6.714 -2.493 1.00 0.00 C ATOM 222 C LEU A 18 -5.954 6.217 -1.127 1.00 0.00 C ATOM 223 O LEU A 18 -6.307 5.049 -0.968 1.00 0.00 O ATOM 224 CB LEU A 18 -4.060 7.243 -2.399 1.00 0.00 C ATOM 225 CG LEU A 18 -3.355 7.514 -3.728 1.00 0.00 C ATOM 226 CD1 LEU A 18 -2.268 8.564 -3.552 1.00 0.00 C ATOM 227 CD2 LEU A 18 -2.770 6.228 -4.294 1.00 0.00 C ATOM 0 H LEU A 18 -5.986 8.693 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.518 5.877 -3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.073 8.168 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.465 6.524 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.090 7.897 -4.435 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.777 8.744 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.713 9.492 -3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.534 8.210 -2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.272 6.440 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.049 5.815 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.570 5.506 -4.459 1.00 0.00 H new ATOM 239 N MET A 19 -5.950 7.112 -0.145 1.00 0.00 N ATOM 240 CA MET A 19 -6.372 6.765 1.207 1.00 0.00 C ATOM 241 C MET A 19 -7.618 5.885 1.178 1.00 0.00 C ATOM 242 O MET A 19 -7.871 5.122 2.110 1.00 0.00 O ATOM 243 CB MET A 19 -6.646 8.032 2.020 1.00 0.00 C ATOM 244 CG MET A 19 -5.420 8.569 2.739 1.00 0.00 C ATOM 245 SD MET A 19 -5.837 9.756 4.031 1.00 0.00 S ATOM 246 CE MET A 19 -6.322 11.172 3.046 1.00 0.00 C ATOM 0 H MET A 19 -5.659 8.083 -0.260 1.00 0.00 H new ATOM 0 HA MET A 19 -5.565 6.206 1.681 1.00 0.00 H new ATOM 0 HB2 MET A 19 -7.034 8.804 1.355 1.00 0.00 H new ATOM 0 HB3 MET A 19 -7.424 7.822 2.754 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.868 7.738 3.179 1.00 0.00 H new ATOM 0 HG3 MET A 19 -4.758 9.044 2.015 1.00 0.00 H new ATOM 0 HE1 MET A 19 -5.581 11.964 3.158 1.00 0.00 H new ATOM 0 HE2 MET A 19 -6.386 10.881 1.998 1.00 0.00 H new ATOM 0 HE3 MET A 19 -7.294 11.534 3.382 1.00 0.00 H new ATOM 256 N ASP A 20 -8.392 5.999 0.105 1.00 0.00 N ATOM 257 CA ASP A 20 -9.611 5.213 -0.045 1.00 0.00 C ATOM 258 C ASP A 20 -9.285 3.762 -0.384 1.00 0.00 C ATOM 259 O ASP A 20 -9.698 2.842 0.321 1.00 0.00 O ATOM 260 CB ASP A 20 -10.501 5.816 -1.133 1.00 0.00 C ATOM 261 CG ASP A 20 -11.700 4.943 -1.450 1.00 0.00 C ATOM 262 OD1 ASP A 20 -12.564 4.777 -0.564 1.00 0.00 O ATOM 263 OD2 ASP A 20 -11.774 4.427 -2.585 1.00 0.00 O ATOM 0 H ASP A 20 -8.197 6.628 -0.674 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.146 5.234 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.846 6.799 -0.813 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.913 5.964 -2.039 1.00 0.00 H new ATOM 268 N GLU A 21 -8.541 3.566 -1.469 1.00 0.00 N ATOM 269 CA GLU A 21 -8.161 2.226 -1.901 1.00 0.00 C ATOM 270 C GLU A 21 -7.279 1.547 -0.858 1.00 0.00 C ATOM 271 O GLU A 21 -7.403 0.348 -0.609 1.00 0.00 O ATOM 272 CB GLU A 21 -7.428 2.288 -3.243 1.00 0.00 C ATOM 273 CG GLU A 21 -6.303 3.309 -3.275 1.00 0.00 C ATOM 274 CD GLU A 21 -5.438 3.184 -4.514 1.00 0.00 C ATOM 275 OE1 GLU A 21 -5.053 2.046 -4.856 1.00 0.00 O ATOM 276 OE2 GLU A 21 -5.145 4.223 -5.141 1.00 0.00 O ATOM 0 H GLU A 21 -8.190 4.317 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.071 1.638 -2.019 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.020 1.303 -3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.145 2.525 -4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.727 4.312 -3.232 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.681 3.187 -2.388 1.00 0.00 H new ATOM 283 N VAL A 22 -6.386 2.323 -0.251 1.00 0.00 N ATOM 284 CA VAL A 22 -5.483 1.798 0.766 1.00 0.00 C ATOM 285 C VAL A 22 -6.258 1.171 1.919 1.00 0.00 C ATOM 286 O VAL A 22 -5.967 0.051 2.342 1.00 0.00 O ATOM 287 CB VAL A 22 -4.561 2.900 1.321 1.00 0.00 C ATOM 288 CG1 VAL A 22 -3.725 2.367 2.474 1.00 0.00 C ATOM 289 CG2 VAL A 22 -3.672 3.456 0.218 1.00 0.00 C ATOM 0 H VAL A 22 -6.269 3.317 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.874 1.034 0.284 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.182 3.712 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.080 3.160 2.853 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.383 2.022 3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.112 1.536 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.027 4.233 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.058 2.655 -0.193 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.293 3.879 -0.572 1.00 0.00 H new ATOM 299 N THR A 23 -7.248 1.900 2.425 1.00 0.00 N ATOM 300 CA THR A 23 -8.065 1.416 3.531 1.00 0.00 C ATOM 301 C THR A 23 -8.568 0.002 3.265 1.00 0.00 C ATOM 302 O THR A 23 -8.335 -0.910 4.058 1.00 0.00 O ATOM 303 CB THR A 23 -9.273 2.339 3.782 1.00 0.00 C ATOM 304 OG1 THR A 23 -8.827 3.607 4.275 1.00 0.00 O ATOM 305 CG2 THR A 23 -10.235 1.711 4.779 1.00 0.00 C ATOM 0 H THR A 23 -7.503 2.828 2.086 1.00 0.00 H new ATOM 0 HA THR A 23 -7.429 1.412 4.416 1.00 0.00 H new ATOM 0 HB THR A 23 -9.796 2.482 2.836 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.489 4.147 3.530 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.080 2.380 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.595 0.760 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.720 1.542 5.725 1.00 0.00 H new ATOM 313 N LYS A 24 -9.257 -0.175 2.143 1.00 0.00 N ATOM 314 CA LYS A 24 -9.791 -1.480 1.770 1.00 0.00 C ATOM 315 C LYS A 24 -8.683 -2.526 1.717 1.00 0.00 C ATOM 316 O LYS A 24 -8.884 -3.675 2.109 1.00 0.00 O ATOM 317 CB LYS A 24 -10.495 -1.397 0.414 1.00 0.00 C ATOM 318 CG LYS A 24 -10.899 -2.750 -0.146 1.00 0.00 C ATOM 319 CD LYS A 24 -11.860 -2.607 -1.314 1.00 0.00 C ATOM 320 CE LYS A 24 -11.874 -3.856 -2.181 1.00 0.00 C ATOM 321 NZ LYS A 24 -12.829 -3.732 -3.317 1.00 0.00 N ATOM 0 H LYS A 24 -9.459 0.569 1.475 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.513 -1.780 2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.384 -0.774 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.836 -0.901 -0.298 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.010 -3.291 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.366 -3.345 0.639 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.865 -2.413 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.574 -1.746 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.872 -4.041 -2.568 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.145 -4.718 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.809 -4.604 -3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.790 -3.581 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -12.556 -2.925 -3.913 1.00 0.00 H new ATOM 335 N GLN A 25 -7.515 -2.120 1.230 1.00 0.00 N ATOM 336 CA GLN A 25 -6.375 -3.024 1.127 1.00 0.00 C ATOM 337 C GLN A 25 -6.142 -3.759 2.443 1.00 0.00 C ATOM 338 O GLN A 25 -6.360 -4.966 2.538 1.00 0.00 O ATOM 339 CB GLN A 25 -5.117 -2.249 0.733 1.00 0.00 C ATOM 340 CG GLN A 25 -4.015 -3.127 0.161 1.00 0.00 C ATOM 341 CD GLN A 25 -3.948 -4.486 0.828 1.00 0.00 C ATOM 342 OE1 GLN A 25 -3.733 -4.588 2.036 1.00 0.00 O ATOM 343 NE2 GLN A 25 -4.132 -5.541 0.043 1.00 0.00 N ATOM 0 H GLN A 25 -7.333 -1.172 0.901 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.596 -3.761 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.384 -1.490 -0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.734 -1.724 1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.179 -3.259 -0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.056 -2.622 0.277 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.308 -5.411 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.098 -6.481 0.436 1.00 0.00 H new ATOM 352 N GLY A 26 -5.697 -3.022 3.456 1.00 0.00 N ATOM 353 CA GLY A 26 -5.441 -3.621 4.753 1.00 0.00 C ATOM 354 C GLY A 26 -6.585 -4.498 5.222 1.00 0.00 C ATOM 355 O GLY A 26 -6.368 -5.510 5.887 1.00 0.00 O ATOM 0 H GLY A 26 -5.509 -2.021 3.402 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.529 -4.216 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.267 -2.833 5.486 1.00 0.00 H new ATOM 359 N ASN A 27 -7.808 -4.108 4.876 1.00 0.00 N ATOM 360 CA ASN A 27 -8.991 -4.866 5.268 1.00 0.00 C ATOM 361 C ASN A 27 -9.023 -6.224 4.575 1.00 0.00 C ATOM 362 O ASN A 27 -9.462 -7.218 5.154 1.00 0.00 O ATOM 363 CB ASN A 27 -10.260 -4.079 4.933 1.00 0.00 C ATOM 364 CG ASN A 27 -10.626 -3.082 6.015 1.00 0.00 C ATOM 365 OD1 ASN A 27 -11.562 -3.299 6.784 1.00 0.00 O ATOM 366 ND2 ASN A 27 -9.886 -1.980 6.078 1.00 0.00 N ATOM 0 H ASN A 27 -8.006 -3.272 4.326 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.946 -5.030 6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -10.118 -3.551 3.990 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -11.087 -4.774 4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.085 -1.272 6.785 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.119 -1.842 5.419 1.00 0.00 H new ATOM 373 N ILE A 28 -8.554 -6.258 3.332 1.00 0.00 N ATOM 374 CA ILE A 28 -8.527 -7.494 2.560 1.00 0.00 C ATOM 375 C ILE A 28 -7.479 -8.459 3.104 1.00 0.00 C ATOM 376 O ILE A 28 -7.710 -9.666 3.179 1.00 0.00 O ATOM 377 CB ILE A 28 -8.235 -7.223 1.072 1.00 0.00 C ATOM 378 CG1 ILE A 28 -9.292 -6.284 0.486 1.00 0.00 C ATOM 379 CG2 ILE A 28 -8.190 -8.529 0.294 1.00 0.00 C ATOM 380 CD1 ILE A 28 -8.790 -5.463 -0.682 1.00 0.00 C ATOM 0 H ILE A 28 -8.188 -5.444 2.838 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.515 -7.944 2.652 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.261 -6.741 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.151 -6.873 0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.643 -5.611 1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.983 -8.320 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.405 -9.167 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.150 -9.037 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.592 -4.821 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.950 -4.847 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.466 -6.129 -1.482 1.00 0.00 H new ATOM 392 N VAL A 29 -6.325 -7.919 3.484 1.00 0.00 N ATOM 393 CA VAL A 29 -5.242 -8.731 4.024 1.00 0.00 C ATOM 394 C VAL A 29 -5.610 -9.300 5.390 1.00 0.00 C ATOM 395 O VAL A 29 -5.223 -10.417 5.733 1.00 0.00 O ATOM 396 CB VAL A 29 -3.941 -7.917 4.153 1.00 0.00 C ATOM 397 CG1 VAL A 29 -2.864 -8.737 4.846 1.00 0.00 C ATOM 398 CG2 VAL A 29 -3.468 -7.449 2.785 1.00 0.00 C ATOM 0 H VAL A 29 -6.117 -6.922 3.428 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.081 -9.551 3.324 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.143 -7.037 4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.952 -8.145 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.205 -9.018 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.661 -9.637 4.265 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.548 -6.875 2.895 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.283 -8.314 2.149 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.234 -6.822 2.330 1.00 0.00 H new ATOM 408 N ARG A 30 -6.360 -8.524 6.165 1.00 0.00 N ATOM 409 CA ARG A 30 -6.780 -8.950 7.495 1.00 0.00 C ATOM 410 C ARG A 30 -7.776 -10.103 7.407 1.00 0.00 C ATOM 411 O ARG A 30 -7.582 -11.151 8.021 1.00 0.00 O ATOM 412 CB ARG A 30 -7.405 -7.779 8.255 1.00 0.00 C ATOM 413 CG ARG A 30 -7.868 -8.141 9.657 1.00 0.00 C ATOM 414 CD ARG A 30 -8.139 -6.899 10.492 1.00 0.00 C ATOM 415 NE ARG A 30 -6.949 -6.451 11.210 1.00 0.00 N ATOM 416 CZ ARG A 30 -6.393 -7.130 12.207 1.00 0.00 C ATOM 417 NH1 ARG A 30 -6.918 -8.282 12.603 1.00 0.00 N ATOM 418 NH2 ARG A 30 -5.310 -6.657 12.811 1.00 0.00 N ATOM 0 H ARG A 30 -6.689 -7.597 5.895 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.898 -9.295 8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.678 -6.969 8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.255 -7.400 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.773 -8.746 9.598 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.109 -8.751 10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.495 -6.098 9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.935 -7.109 11.206 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.521 -5.568 10.931 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.751 -8.648 12.142 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.489 -8.801 13.369 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.904 -5.771 12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.884 -7.179 13.577 1.00 0.00 H new ATOM 432 N GLU A 31 -8.842 -9.899 6.639 1.00 0.00 N ATOM 433 CA GLU A 31 -9.868 -10.921 6.472 1.00 0.00 C ATOM 434 C GLU A 31 -9.283 -12.184 5.846 1.00 0.00 C ATOM 435 O GLU A 31 -9.627 -13.301 6.235 1.00 0.00 O ATOM 436 CB GLU A 31 -11.011 -10.391 5.604 1.00 0.00 C ATOM 437 CG GLU A 31 -10.569 -9.950 4.219 1.00 0.00 C ATOM 438 CD GLU A 31 -11.544 -8.984 3.575 1.00 0.00 C ATOM 439 OE1 GLU A 31 -11.863 -7.954 4.206 1.00 0.00 O ATOM 440 OE2 GLU A 31 -11.988 -9.257 2.441 1.00 0.00 O ATOM 0 H GLU A 31 -9.017 -9.036 6.123 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.257 -11.172 7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.770 -11.167 5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.481 -9.549 6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.589 -9.479 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.457 -10.827 3.581 1.00 0.00 H new ATOM 447 N LEU A 32 -8.397 -11.998 4.874 1.00 0.00 N ATOM 448 CA LEU A 32 -7.762 -13.121 4.192 1.00 0.00 C ATOM 449 C LEU A 32 -7.078 -14.049 5.191 1.00 0.00 C ATOM 450 O LEU A 32 -7.351 -15.248 5.229 1.00 0.00 O ATOM 451 CB LEU A 32 -6.744 -12.614 3.170 1.00 0.00 C ATOM 452 CG LEU A 32 -7.282 -12.344 1.764 1.00 0.00 C ATOM 453 CD1 LEU A 32 -6.289 -11.517 0.962 1.00 0.00 C ATOM 454 CD2 LEU A 32 -7.588 -13.653 1.050 1.00 0.00 C ATOM 0 H LEU A 32 -8.102 -11.081 4.540 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.538 -13.684 3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.304 -11.693 3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.939 -13.345 3.095 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.208 -11.776 1.853 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.689 -11.335 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.119 -10.565 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.346 -12.058 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.970 -13.442 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.677 -14.247 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.336 -14.209 1.615 1.00 0.00 H new ATOM 466 N LYS A 33 -6.188 -13.484 6.001 1.00 0.00 N ATOM 467 CA LYS A 33 -5.466 -14.258 7.003 1.00 0.00 C ATOM 468 C LYS A 33 -6.426 -14.842 8.035 1.00 0.00 C ATOM 469 O LYS A 33 -6.275 -15.987 8.459 1.00 0.00 O ATOM 470 CB LYS A 33 -4.423 -13.382 7.700 1.00 0.00 C ATOM 471 CG LYS A 33 -3.297 -12.933 6.785 1.00 0.00 C ATOM 472 CD LYS A 33 -2.593 -11.701 7.330 1.00 0.00 C ATOM 473 CE LYS A 33 -1.361 -11.354 6.507 1.00 0.00 C ATOM 474 NZ LYS A 33 -0.290 -12.378 6.652 1.00 0.00 N ATOM 0 H LYS A 33 -5.950 -12.492 5.982 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.961 -15.080 6.496 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.917 -12.503 8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.000 -13.934 8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.577 -13.743 6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.696 -12.716 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.282 -10.857 7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.303 -11.875 8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.639 -11.266 5.457 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.978 -10.382 6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.608 -11.994 6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.184 -12.629 7.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.545 -13.227 6.108 1.00 0.00 H new ATOM 488 N ALA A 34 -7.414 -14.047 8.434 1.00 0.00 N ATOM 489 CA ALA A 34 -8.400 -14.486 9.413 1.00 0.00 C ATOM 490 C ALA A 34 -9.191 -15.683 8.897 1.00 0.00 C ATOM 491 O ALA A 34 -9.745 -16.456 9.678 1.00 0.00 O ATOM 492 CB ALA A 34 -9.340 -13.343 9.765 1.00 0.00 C ATOM 0 H ALA A 34 -7.552 -13.095 8.094 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.868 -14.795 10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.071 -13.686 10.497 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.767 -12.516 10.184 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.857 -13.007 8.866 1.00 0.00 H new ATOM 498 N GLN A 35 -9.239 -15.830 7.577 1.00 0.00 N ATOM 499 CA GLN A 35 -9.964 -16.933 6.957 1.00 0.00 C ATOM 500 C GLN A 35 -9.009 -18.050 6.548 1.00 0.00 C ATOM 501 O GLN A 35 -9.311 -18.845 5.657 1.00 0.00 O ATOM 502 CB GLN A 35 -10.742 -16.438 5.736 1.00 0.00 C ATOM 503 CG GLN A 35 -11.883 -15.496 6.083 1.00 0.00 C ATOM 504 CD GLN A 35 -12.860 -15.316 4.938 1.00 0.00 C ATOM 505 OE1 GLN A 35 -13.835 -16.058 4.817 1.00 0.00 O ATOM 506 NE2 GLN A 35 -12.603 -14.327 4.091 1.00 0.00 N ATOM 0 H GLN A 35 -8.785 -15.199 6.916 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.667 -17.330 7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.055 -15.930 5.059 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.142 -17.297 5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.415 -15.881 6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.475 -14.525 6.363 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.783 -13.737 4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.226 -14.157 3.301 1.00 0.00 H new ATOM 515 N LYS A 36 -7.855 -18.105 7.203 1.00 0.00 N ATOM 516 CA LYS A 36 -6.855 -19.124 6.909 1.00 0.00 C ATOM 517 C LYS A 36 -6.640 -19.258 5.405 1.00 0.00 C ATOM 518 O LYS A 36 -6.443 -20.359 4.892 1.00 0.00 O ATOM 519 CB LYS A 36 -7.283 -20.472 7.496 1.00 0.00 C ATOM 520 CG LYS A 36 -7.517 -20.435 8.996 1.00 0.00 C ATOM 521 CD LYS A 36 -8.956 -20.076 9.327 1.00 0.00 C ATOM 522 CE LYS A 36 -9.288 -20.387 10.778 1.00 0.00 C ATOM 523 NZ LYS A 36 -9.292 -21.852 11.045 1.00 0.00 N ATOM 0 H LYS A 36 -7.589 -17.455 7.942 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.914 -18.817 7.366 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.198 -20.800 7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.517 -21.215 7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.275 -21.406 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.845 -19.708 9.452 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.121 -19.016 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.630 -20.628 8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.561 -19.901 11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.265 -19.970 11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.835 -22.046 11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.730 -22.350 10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.314 -22.185 11.167 1.00 0.00 H new ATOM 537 N ALA A 37 -6.678 -18.130 4.704 1.00 0.00 N ATOM 538 CA ALA A 37 -6.484 -18.121 3.260 1.00 0.00 C ATOM 539 C ALA A 37 -5.120 -18.691 2.885 1.00 0.00 C ATOM 540 O ALA A 37 -4.203 -18.723 3.707 1.00 0.00 O ATOM 541 CB ALA A 37 -6.635 -16.708 2.715 1.00 0.00 C ATOM 0 H ALA A 37 -6.841 -17.210 5.113 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.249 -18.755 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.487 -16.717 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.634 -16.335 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.892 -16.058 3.177 1.00 0.00 H new ATOM 547 N ASP A 38 -4.993 -19.141 1.642 1.00 0.00 N ATOM 548 CA ASP A 38 -3.740 -19.711 1.159 1.00 0.00 C ATOM 549 C ASP A 38 -2.596 -18.714 1.314 1.00 0.00 C ATOM 550 O ASP A 38 -2.620 -17.629 0.734 1.00 0.00 O ATOM 551 CB ASP A 38 -3.876 -20.127 -0.306 1.00 0.00 C ATOM 552 CG ASP A 38 -2.979 -21.296 -0.661 1.00 0.00 C ATOM 553 OD1 ASP A 38 -1.869 -21.386 -0.096 1.00 0.00 O ATOM 554 OD2 ASP A 38 -3.388 -22.122 -1.504 1.00 0.00 O ATOM 0 H ASP A 38 -5.742 -19.122 0.950 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.514 -20.593 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.913 -20.393 -0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.633 -19.279 -0.946 1.00 0.00 H new ATOM 559 N LYS A 39 -1.594 -19.090 2.102 1.00 0.00 N ATOM 560 CA LYS A 39 -0.439 -18.231 2.334 1.00 0.00 C ATOM 561 C LYS A 39 -0.040 -17.498 1.057 1.00 0.00 C ATOM 562 O LYS A 39 0.135 -16.281 1.059 1.00 0.00 O ATOM 563 CB LYS A 39 0.742 -19.057 2.851 1.00 0.00 C ATOM 564 CG LYS A 39 0.511 -19.651 4.230 1.00 0.00 C ATOM 565 CD LYS A 39 1.779 -20.277 4.786 1.00 0.00 C ATOM 566 CE LYS A 39 1.468 -21.297 5.871 1.00 0.00 C ATOM 567 NZ LYS A 39 2.551 -22.308 6.009 1.00 0.00 N ATOM 0 H LYS A 39 -1.559 -19.985 2.591 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.714 -17.491 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.947 -19.863 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.631 -18.426 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.160 -18.873 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.275 -20.405 4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.332 -20.759 3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.423 -19.497 5.192 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.327 -20.784 6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.529 -21.800 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.301 -22.985 6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.669 -22.816 5.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.442 -21.831 6.256 1.00 0.00 H new ATOM 581 N ASN A 40 0.100 -18.248 -0.031 1.00 0.00 N ATOM 582 CA ASN A 40 0.477 -17.669 -1.315 1.00 0.00 C ATOM 583 C ASN A 40 -0.620 -16.746 -1.839 1.00 0.00 C ATOM 584 O ASN A 40 -0.339 -15.676 -2.377 1.00 0.00 O ATOM 585 CB ASN A 40 0.758 -18.775 -2.334 1.00 0.00 C ATOM 586 CG ASN A 40 0.846 -18.246 -3.753 1.00 0.00 C ATOM 587 OD1 ASN A 40 -0.111 -18.335 -4.521 1.00 0.00 O ATOM 588 ND2 ASN A 40 2.000 -17.691 -4.106 1.00 0.00 N ATOM 0 H ASN A 40 -0.042 -19.258 -0.049 1.00 0.00 H new ATOM 0 HA ASN A 40 1.383 -17.081 -1.168 1.00 0.00 H new ATOM 0 HB2 ASN A 40 1.693 -19.273 -2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.030 -19.526 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.119 -17.317 -5.047 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.767 -17.639 -3.436 1.00 0.00 H new ATOM 595 N GLU A 41 -1.869 -17.170 -1.676 1.00 0.00 N ATOM 596 CA GLU A 41 -3.008 -16.381 -2.132 1.00 0.00 C ATOM 597 C GLU A 41 -3.057 -15.033 -1.419 1.00 0.00 C ATOM 598 O GLU A 41 -3.551 -14.046 -1.966 1.00 0.00 O ATOM 599 CB GLU A 41 -4.313 -17.143 -1.895 1.00 0.00 C ATOM 600 CG GLU A 41 -5.557 -16.342 -2.239 1.00 0.00 C ATOM 601 CD GLU A 41 -5.323 -15.357 -3.367 1.00 0.00 C ATOM 602 OE1 GLU A 41 -4.779 -15.771 -4.413 1.00 0.00 O ATOM 603 OE2 GLU A 41 -5.683 -14.172 -3.205 1.00 0.00 O ATOM 0 H GLU A 41 -2.118 -18.054 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.889 -16.203 -3.201 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.303 -18.056 -2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.363 -17.444 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.359 -17.025 -2.519 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.893 -15.802 -1.354 1.00 0.00 H new ATOM 610 N VAL A 42 -2.541 -14.998 -0.195 1.00 0.00 N ATOM 611 CA VAL A 42 -2.524 -13.772 0.594 1.00 0.00 C ATOM 612 C VAL A 42 -1.451 -12.812 0.094 1.00 0.00 C ATOM 613 O VAL A 42 -1.652 -11.598 0.070 1.00 0.00 O ATOM 614 CB VAL A 42 -2.279 -14.068 2.086 1.00 0.00 C ATOM 615 CG1 VAL A 42 -2.253 -12.776 2.889 1.00 0.00 C ATOM 616 CG2 VAL A 42 -3.341 -15.017 2.622 1.00 0.00 C ATOM 0 H VAL A 42 -2.129 -15.805 0.272 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.504 -13.308 0.480 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.307 -14.551 2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.079 -13.005 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.453 -12.134 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.208 -12.262 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.153 -15.215 3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.325 -14.563 2.508 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.307 -15.953 2.065 1.00 0.00 H new ATOM 626 N ALA A 43 -0.310 -13.364 -0.304 1.00 0.00 N ATOM 627 CA ALA A 43 0.795 -12.557 -0.806 1.00 0.00 C ATOM 628 C ALA A 43 0.329 -11.614 -1.911 1.00 0.00 C ATOM 629 O ALA A 43 0.591 -10.413 -1.865 1.00 0.00 O ATOM 630 CB ALA A 43 1.916 -13.453 -1.312 1.00 0.00 C ATOM 0 H ALA A 43 -0.127 -14.367 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 43 1.173 -11.951 0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.735 -12.837 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.276 -14.081 -0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.542 -14.084 -2.118 1.00 0.00 H new ATOM 636 N ALA A 44 -0.361 -12.168 -2.902 1.00 0.00 N ATOM 637 CA ALA A 44 -0.864 -11.376 -4.018 1.00 0.00 C ATOM 638 C ALA A 44 -1.349 -10.009 -3.546 1.00 0.00 C ATOM 639 O ALA A 44 -1.073 -8.991 -4.179 1.00 0.00 O ATOM 640 CB ALA A 44 -1.986 -12.118 -4.729 1.00 0.00 C ATOM 0 H ALA A 44 -0.585 -13.162 -2.955 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.044 -11.221 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.352 -11.515 -5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.611 -13.068 -5.108 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.801 -12.303 -4.029 1.00 0.00 H new ATOM 646 N GLU A 45 -2.072 -9.995 -2.431 1.00 0.00 N ATOM 647 CA GLU A 45 -2.596 -8.752 -1.876 1.00 0.00 C ATOM 648 C GLU A 45 -1.491 -7.955 -1.188 1.00 0.00 C ATOM 649 O GLU A 45 -1.218 -6.810 -1.550 1.00 0.00 O ATOM 650 CB GLU A 45 -3.722 -9.045 -0.883 1.00 0.00 C ATOM 651 CG GLU A 45 -4.922 -9.736 -1.510 1.00 0.00 C ATOM 652 CD GLU A 45 -5.581 -8.896 -2.587 1.00 0.00 C ATOM 653 OE1 GLU A 45 -6.217 -7.879 -2.241 1.00 0.00 O ATOM 654 OE2 GLU A 45 -5.461 -9.257 -3.776 1.00 0.00 O ATOM 0 H GLU A 45 -2.308 -10.830 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.993 -8.156 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.333 -9.670 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.048 -8.109 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.606 -10.687 -1.939 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.653 -9.963 -0.734 1.00 0.00 H new ATOM 661 N VAL A 46 -0.859 -8.569 -0.193 1.00 0.00 N ATOM 662 CA VAL A 46 0.217 -7.918 0.546 1.00 0.00 C ATOM 663 C VAL A 46 1.214 -7.260 -0.400 1.00 0.00 C ATOM 664 O VAL A 46 1.894 -6.302 -0.033 1.00 0.00 O ATOM 665 CB VAL A 46 0.964 -8.919 1.446 1.00 0.00 C ATOM 666 CG1 VAL A 46 1.996 -8.201 2.303 1.00 0.00 C ATOM 667 CG2 VAL A 46 -0.018 -9.691 2.315 1.00 0.00 C ATOM 0 H VAL A 46 -1.073 -9.516 0.120 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.245 -7.153 1.170 1.00 0.00 H new ATOM 0 HB VAL A 46 1.488 -9.631 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.514 -8.925 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.718 -7.699 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.497 -7.464 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.528 -10.394 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.572 -8.995 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.714 -10.238 1.679 1.00 0.00 H new ATOM 677 N ALA A 47 1.295 -7.779 -1.621 1.00 0.00 N ATOM 678 CA ALA A 47 2.207 -7.240 -2.622 1.00 0.00 C ATOM 679 C ALA A 47 1.773 -5.848 -3.067 1.00 0.00 C ATOM 680 O ALA A 47 2.606 -4.977 -3.321 1.00 0.00 O ATOM 681 CB ALA A 47 2.291 -8.176 -3.818 1.00 0.00 C ATOM 0 H ALA A 47 0.740 -8.573 -1.941 1.00 0.00 H new ATOM 0 HA ALA A 47 3.195 -7.157 -2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.976 -7.761 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.656 -9.150 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.302 -8.289 -4.262 1.00 0.00 H new ATOM 687 N LYS A 48 0.463 -5.643 -3.161 1.00 0.00 N ATOM 688 CA LYS A 48 -0.083 -4.356 -3.575 1.00 0.00 C ATOM 689 C LYS A 48 -0.140 -3.386 -2.400 1.00 0.00 C ATOM 690 O LYS A 48 -0.157 -2.168 -2.587 1.00 0.00 O ATOM 691 CB LYS A 48 -1.482 -4.540 -4.167 1.00 0.00 C ATOM 692 CG LYS A 48 -2.549 -4.830 -3.126 1.00 0.00 C ATOM 693 CD LYS A 48 -3.908 -4.303 -3.558 1.00 0.00 C ATOM 694 CE LYS A 48 -4.468 -5.098 -4.727 1.00 0.00 C ATOM 695 NZ LYS A 48 -5.020 -6.411 -4.292 1.00 0.00 N ATOM 0 H LYS A 48 -0.240 -6.353 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 48 0.575 -3.938 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.757 -3.639 -4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.458 -5.357 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.611 -5.905 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.266 -4.375 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.602 -4.351 -2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.820 -3.254 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.251 -4.520 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.682 -5.261 -5.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.809 -6.679 -4.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.276 -7.135 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.362 -6.337 -3.312 1.00 0.00 H new ATOM 709 N LEU A 49 -0.167 -3.931 -1.189 1.00 0.00 N ATOM 710 CA LEU A 49 -0.220 -3.113 0.018 1.00 0.00 C ATOM 711 C LEU A 49 1.119 -2.426 0.270 1.00 0.00 C ATOM 712 O LEU A 49 1.166 -1.283 0.725 1.00 0.00 O ATOM 713 CB LEU A 49 -0.600 -3.973 1.225 1.00 0.00 C ATOM 714 CG LEU A 49 -0.580 -3.270 2.582 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.603 -2.144 2.616 1.00 0.00 C ATOM 716 CD2 LEU A 49 -0.844 -4.266 3.702 1.00 0.00 C ATOM 0 H LEU A 49 -0.153 -4.936 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.980 -2.345 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.600 -4.373 1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.080 -4.823 1.269 1.00 0.00 H new ATOM 0 HG LEU A 49 0.410 -2.838 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.574 -1.655 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.370 -1.417 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.599 -2.552 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.826 -3.748 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.821 -4.727 3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.074 -5.037 3.692 1.00 0.00 H new ATOM 728 N LEU A 50 2.204 -3.131 -0.031 1.00 0.00 N ATOM 729 CA LEU A 50 3.545 -2.588 0.160 1.00 0.00 C ATOM 730 C LEU A 50 3.735 -1.308 -0.647 1.00 0.00 C ATOM 731 O LEU A 50 4.314 -0.336 -0.161 1.00 0.00 O ATOM 732 CB LEU A 50 4.597 -3.622 -0.246 1.00 0.00 C ATOM 733 CG LEU A 50 4.656 -4.890 0.606 1.00 0.00 C ATOM 734 CD1 LEU A 50 5.357 -6.008 -0.149 1.00 0.00 C ATOM 735 CD2 LEU A 50 5.360 -4.613 1.927 1.00 0.00 C ATOM 0 H LEU A 50 2.182 -4.079 -0.408 1.00 0.00 H new ATOM 0 HA LEU A 50 3.667 -2.350 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.412 -3.912 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.576 -3.144 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 50 3.636 -5.208 0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.390 -6.902 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.812 -6.224 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.373 -5.700 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.393 -5.527 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.376 -4.270 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.816 -3.844 2.475 1.00 0.00 H new ATOM 747 N ASP A 51 3.242 -1.314 -1.880 1.00 0.00 N ATOM 748 CA ASP A 51 3.354 -0.152 -2.754 1.00 0.00 C ATOM 749 C ASP A 51 2.417 0.963 -2.299 1.00 0.00 C ATOM 750 O ASP A 51 2.813 2.126 -2.215 1.00 0.00 O ATOM 751 CB ASP A 51 3.040 -0.542 -4.199 1.00 0.00 C ATOM 752 CG ASP A 51 4.232 -1.157 -4.906 1.00 0.00 C ATOM 753 OD1 ASP A 51 4.967 -1.933 -4.261 1.00 0.00 O ATOM 754 OD2 ASP A 51 4.430 -0.861 -6.103 1.00 0.00 O ATOM 0 H ASP A 51 2.761 -2.111 -2.297 1.00 0.00 H new ATOM 0 HA ASP A 51 4.379 0.215 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.211 -1.249 -4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.712 0.341 -4.747 1.00 0.00 H new ATOM 759 N LEU A 52 1.173 0.600 -2.008 1.00 0.00 N ATOM 760 CA LEU A 52 0.178 1.570 -1.563 1.00 0.00 C ATOM 761 C LEU A 52 0.736 2.450 -0.450 1.00 0.00 C ATOM 762 O LEU A 52 0.702 3.678 -0.538 1.00 0.00 O ATOM 763 CB LEU A 52 -1.082 0.851 -1.077 1.00 0.00 C ATOM 764 CG LEU A 52 -2.110 0.497 -2.153 1.00 0.00 C ATOM 765 CD1 LEU A 52 -3.107 -0.522 -1.623 1.00 0.00 C ATOM 766 CD2 LEU A 52 -2.828 1.748 -2.636 1.00 0.00 C ATOM 0 H LEU A 52 0.829 -0.358 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.078 2.206 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.781 -0.068 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.569 1.478 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.585 0.055 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.831 -0.762 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.579 -1.428 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.627 -0.107 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.556 1.477 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.341 2.219 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.102 2.445 -3.056 1.00 0.00 H new ATOM 778 N LYS A 53 1.251 1.815 0.598 1.00 0.00 N ATOM 779 CA LYS A 53 1.821 2.539 1.728 1.00 0.00 C ATOM 780 C LYS A 53 2.636 3.737 1.251 1.00 0.00 C ATOM 781 O LYS A 53 2.518 4.837 1.792 1.00 0.00 O ATOM 782 CB LYS A 53 2.702 1.609 2.564 1.00 0.00 C ATOM 783 CG LYS A 53 1.926 0.779 3.572 1.00 0.00 C ATOM 784 CD LYS A 53 2.845 -0.131 4.370 1.00 0.00 C ATOM 785 CE LYS A 53 3.101 -1.442 3.642 1.00 0.00 C ATOM 786 NZ LYS A 53 3.568 -2.509 4.569 1.00 0.00 N ATOM 0 H LYS A 53 1.285 0.800 0.688 1.00 0.00 H new ATOM 0 HA LYS A 53 1.000 2.903 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.245 0.940 1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.446 2.205 3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.387 1.440 4.251 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.179 0.179 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.792 0.376 4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.400 -0.335 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.186 -1.767 3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.847 -1.285 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.457 -3.437 4.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.570 -2.354 4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.003 -2.482 5.442 1.00 0.00 H new ATOM 800 N LYS A 54 3.463 3.518 0.235 1.00 0.00 N ATOM 801 CA LYS A 54 4.297 4.579 -0.317 1.00 0.00 C ATOM 802 C LYS A 54 3.447 5.612 -1.052 1.00 0.00 C ATOM 803 O LYS A 54 3.354 6.764 -0.630 1.00 0.00 O ATOM 804 CB LYS A 54 5.342 3.993 -1.269 1.00 0.00 C ATOM 805 CG LYS A 54 6.102 2.814 -0.686 1.00 0.00 C ATOM 806 CD LYS A 54 6.567 1.858 -1.772 1.00 0.00 C ATOM 807 CE LYS A 54 7.936 2.249 -2.308 1.00 0.00 C ATOM 808 NZ LYS A 54 8.519 1.183 -3.169 1.00 0.00 N ATOM 0 H LYS A 54 3.574 2.614 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 54 4.806 5.074 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.848 3.678 -2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.052 4.774 -1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.964 3.177 -0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.464 2.282 0.020 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.607 0.844 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.844 1.852 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.852 3.173 -2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.608 2.451 -1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.452 1.487 -3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.623 0.308 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.890 1.008 -3.979 1.00 0.00 H new ATOM 822 N GLN A 55 2.829 5.189 -2.150 1.00 0.00 N ATOM 823 CA GLN A 55 1.987 6.078 -2.941 1.00 0.00 C ATOM 824 C GLN A 55 1.121 6.953 -2.041 1.00 0.00 C ATOM 825 O GLN A 55 0.730 8.057 -2.420 1.00 0.00 O ATOM 826 CB GLN A 55 1.101 5.267 -3.888 1.00 0.00 C ATOM 827 CG GLN A 55 1.882 4.498 -4.942 1.00 0.00 C ATOM 828 CD GLN A 55 1.105 3.322 -5.501 1.00 0.00 C ATOM 829 OE1 GLN A 55 1.640 2.222 -5.645 1.00 0.00 O ATOM 830 NE2 GLN A 55 -0.164 3.548 -5.820 1.00 0.00 N ATOM 0 H GLN A 55 2.895 4.238 -2.512 1.00 0.00 H new ATOM 0 HA GLN A 55 2.638 6.725 -3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.506 4.565 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.402 5.940 -4.385 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.148 5.173 -5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.815 4.139 -4.508 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.567 4.475 -5.684 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.736 2.794 -6.201 1.00 0.00 H new ATOM 839 N LEU A 56 0.823 6.451 -0.847 1.00 0.00 N ATOM 840 CA LEU A 56 0.003 7.187 0.109 1.00 0.00 C ATOM 841 C LEU A 56 0.848 8.175 0.906 1.00 0.00 C ATOM 842 O LEU A 56 0.675 9.388 0.793 1.00 0.00 O ATOM 843 CB LEU A 56 -0.701 6.217 1.060 1.00 0.00 C ATOM 844 CG LEU A 56 -1.884 6.785 1.844 1.00 0.00 C ATOM 845 CD1 LEU A 56 -1.399 7.736 2.927 1.00 0.00 C ATOM 846 CD2 LEU A 56 -2.855 7.490 0.908 1.00 0.00 C ATOM 0 H LEU A 56 1.137 5.538 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.747 7.748 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.051 5.362 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.034 5.840 1.772 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.408 5.958 2.323 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.255 8.131 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.744 7.201 3.614 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.850 8.559 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.691 7.888 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.342 8.307 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.228 6.781 0.169 1.00 0.00 H new ATOM 858 N ALA A 57 1.765 7.647 1.710 1.00 0.00 N ATOM 859 CA ALA A 57 2.641 8.483 2.522 1.00 0.00 C ATOM 860 C ALA A 57 3.387 9.496 1.661 1.00 0.00 C ATOM 861 O ALA A 57 3.340 10.699 1.919 1.00 0.00 O ATOM 862 CB ALA A 57 3.626 7.619 3.296 1.00 0.00 C ATOM 0 H ALA A 57 1.921 6.645 1.816 1.00 0.00 H new ATOM 0 HA ALA A 57 2.022 9.034 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.274 8.256 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.079 6.938 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.232 7.043 2.597 1.00 0.00 H new ATOM 868 N VAL A 58 4.076 9.002 0.637 1.00 0.00 N ATOM 869 CA VAL A 58 4.832 9.865 -0.263 1.00 0.00 C ATOM 870 C VAL A 58 3.958 10.988 -0.811 1.00 0.00 C ATOM 871 O VAL A 58 4.360 12.151 -0.826 1.00 0.00 O ATOM 872 CB VAL A 58 5.424 9.068 -1.440 1.00 0.00 C ATOM 873 CG1 VAL A 58 6.317 9.956 -2.292 1.00 0.00 C ATOM 874 CG2 VAL A 58 6.192 7.857 -0.931 1.00 0.00 C ATOM 0 H VAL A 58 4.126 8.009 0.410 1.00 0.00 H new ATOM 0 HA VAL A 58 5.646 10.295 0.320 1.00 0.00 H new ATOM 0 HB VAL A 58 4.604 8.714 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.726 9.375 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.733 10.787 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.133 10.343 -1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.603 7.305 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.004 8.187 -0.283 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.519 7.210 -0.368 1.00 0.00 H new ATOM 884 N ALA A 59 2.760 10.631 -1.261 1.00 0.00 N ATOM 885 CA ALA A 59 1.827 11.608 -1.809 1.00 0.00 C ATOM 886 C ALA A 59 1.535 12.713 -0.800 1.00 0.00 C ATOM 887 O ALA A 59 1.460 13.888 -1.158 1.00 0.00 O ATOM 888 CB ALA A 59 0.536 10.924 -2.234 1.00 0.00 C ATOM 0 H ALA A 59 2.412 9.672 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 59 2.289 12.064 -2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.152 11.665 -2.641 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.755 10.175 -2.995 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.079 10.441 -1.370 1.00 0.00 H new ATOM 894 N GLU A 60 1.371 12.328 0.462 1.00 0.00 N ATOM 895 CA GLU A 60 1.086 13.289 1.522 1.00 0.00 C ATOM 896 C GLU A 60 2.241 14.272 1.691 1.00 0.00 C ATOM 897 O GLU A 60 2.032 15.478 1.805 1.00 0.00 O ATOM 898 CB GLU A 60 0.824 12.561 2.842 1.00 0.00 C ATOM 899 CG GLU A 60 -0.504 11.823 2.877 1.00 0.00 C ATOM 900 CD GLU A 60 -0.657 10.956 4.112 1.00 0.00 C ATOM 901 OE1 GLU A 60 0.168 10.038 4.299 1.00 0.00 O ATOM 902 OE2 GLU A 60 -1.603 11.197 4.891 1.00 0.00 O ATOM 0 H GLU A 60 1.430 11.359 0.775 1.00 0.00 H new ATOM 0 HA GLU A 60 0.194 13.849 1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.630 11.850 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.850 13.284 3.657 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.319 12.546 2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.593 11.200 1.987 1.00 0.00 H new ATOM 909 N GLY A 61 3.462 13.745 1.706 1.00 0.00 N ATOM 910 CA GLY A 61 4.632 14.588 1.862 1.00 0.00 C ATOM 911 C GLY A 61 5.780 13.868 2.541 1.00 0.00 C ATOM 912 O GLY A 61 6.945 14.088 2.209 1.00 0.00 O ATOM 0 H GLY A 61 3.661 12.749 1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.956 14.939 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.365 15.470 2.444 1.00 0.00 H new ATOM 916 N LYS A 62 5.452 13.004 3.496 1.00 0.00 N ATOM 917 CA LYS A 62 6.464 12.248 4.225 1.00 0.00 C ATOM 918 C LYS A 62 7.523 11.700 3.274 1.00 0.00 C ATOM 919 O LYS A 62 7.237 11.327 2.137 1.00 0.00 O ATOM 920 CB LYS A 62 5.813 11.099 4.998 1.00 0.00 C ATOM 921 CG LYS A 62 4.868 11.561 6.093 1.00 0.00 C ATOM 922 CD LYS A 62 4.502 10.422 7.030 1.00 0.00 C ATOM 923 CE LYS A 62 5.591 10.177 8.063 1.00 0.00 C ATOM 924 NZ LYS A 62 5.652 11.268 9.075 1.00 0.00 N ATOM 0 H LYS A 62 4.493 12.810 3.783 1.00 0.00 H new ATOM 0 HA LYS A 62 6.949 12.923 4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.265 10.467 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.594 10.481 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.334 12.366 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.963 11.970 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.565 10.653 7.536 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.337 9.513 6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.409 9.227 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.555 10.093 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.201 10.948 9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.109 12.104 8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.688 11.516 9.377 1.00 0.00 H new ATOM 938 N PRO A 63 8.777 11.649 3.749 1.00 0.00 N ATOM 939 CA PRO A 63 9.903 11.146 2.958 1.00 0.00 C ATOM 940 C PRO A 63 9.825 9.641 2.729 1.00 0.00 C ATOM 941 O PRO A 63 9.295 8.891 3.548 1.00 0.00 O ATOM 942 CB PRO A 63 11.123 11.494 3.816 1.00 0.00 C ATOM 943 CG PRO A 63 10.598 11.563 5.208 1.00 0.00 C ATOM 944 CD PRO A 63 9.190 12.078 5.096 1.00 0.00 C ATOM 0 HA PRO A 63 9.927 11.584 1.960 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.901 10.737 3.723 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.564 12.443 3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.618 10.581 5.681 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.208 12.225 5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.545 11.657 5.867 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.149 13.162 5.203 1.00 0.00 H new ATOM 952 N PRO A 64 10.364 9.186 1.588 1.00 0.00 N ATOM 953 CA PRO A 64 10.368 7.766 1.225 1.00 0.00 C ATOM 954 C PRO A 64 11.301 6.944 2.109 1.00 0.00 C ATOM 955 O PRO A 64 11.718 7.397 3.174 1.00 0.00 O ATOM 956 CB PRO A 64 10.868 7.770 -0.222 1.00 0.00 C ATOM 957 CG PRO A 64 11.671 9.019 -0.341 1.00 0.00 C ATOM 958 CD PRO A 64 11.012 10.023 0.565 1.00 0.00 C ATOM 0 HA PRO A 64 9.385 7.311 1.349 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.473 6.889 -0.434 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.038 7.764 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.706 8.847 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.688 9.375 -1.371 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.739 10.705 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.287 10.634 0.028 1.00 0.00 H new ATOM 966 N GLU A 65 11.623 5.736 1.658 1.00 0.00 N ATOM 967 CA GLU A 65 12.507 4.852 2.409 1.00 0.00 C ATOM 968 C GLU A 65 13.960 5.299 2.281 1.00 0.00 C ATOM 969 O GLU A 65 14.833 4.511 1.919 1.00 0.00 O ATOM 970 CB GLU A 65 12.360 3.410 1.919 1.00 0.00 C ATOM 971 CG GLU A 65 11.007 2.795 2.235 1.00 0.00 C ATOM 972 CD GLU A 65 9.857 3.566 1.618 1.00 0.00 C ATOM 973 OE1 GLU A 65 9.524 3.297 0.445 1.00 0.00 O ATOM 974 OE2 GLU A 65 9.289 4.438 2.309 1.00 0.00 O ATOM 0 H GLU A 65 11.286 5.347 0.777 1.00 0.00 H new ATOM 0 HA GLU A 65 12.221 4.901 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 65 12.519 3.383 0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.142 2.800 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.986 1.767 1.873 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.874 2.755 3.316 1.00 0.00 H new ATOM 981 N ALA A 66 14.212 6.569 2.581 1.00 0.00 N ATOM 982 CA ALA A 66 15.558 7.121 2.502 1.00 0.00 C ATOM 983 C ALA A 66 16.603 6.076 2.878 1.00 0.00 C ATOM 984 O ALA A 66 17.470 5.715 2.082 1.00 0.00 O ATOM 985 CB ALA A 66 15.683 8.342 3.401 1.00 0.00 C ATOM 0 H ALA A 66 13.500 7.235 2.881 1.00 0.00 H new ATOM 0 HA ALA A 66 15.739 7.424 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 66 16.694 8.743 3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.968 9.102 3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 66 15.476 8.057 4.433 1.00 0.00 H new ATOM 991 N PRO A 67 16.522 5.577 4.121 1.00 0.00 N ATOM 992 CA PRO A 67 17.453 4.567 4.631 1.00 0.00 C ATOM 993 C PRO A 67 17.254 3.208 3.967 1.00 0.00 C ATOM 994 O PRO A 67 18.207 2.596 3.485 1.00 0.00 O ATOM 995 CB PRO A 67 17.111 4.489 6.121 1.00 0.00 C ATOM 996 CG PRO A 67 15.693 4.936 6.208 1.00 0.00 C ATOM 997 CD PRO A 67 15.514 5.962 5.123 1.00 0.00 C ATOM 0 HA PRO A 67 18.491 4.832 4.431 1.00 0.00 H new ATOM 0 HB2 PRO A 67 17.230 3.475 6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 67 17.765 5.130 6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.010 4.098 6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 67 15.478 5.363 7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 67 14.506 5.938 4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 67 15.682 6.973 5.494 1.00 0.00 H new ATOM 1005 N LYS A 68 16.010 2.742 3.946 1.00 0.00 N ATOM 1006 CA LYS A 68 15.685 1.456 3.340 1.00 0.00 C ATOM 1007 C LYS A 68 15.439 1.607 1.843 1.00 0.00 C ATOM 1008 O LYS A 68 14.359 1.290 1.346 1.00 0.00 O ATOM 1009 CB LYS A 68 14.451 0.850 4.012 1.00 0.00 C ATOM 1010 CG LYS A 68 14.442 -0.669 4.012 1.00 0.00 C ATOM 1011 CD LYS A 68 13.603 -1.222 5.152 1.00 0.00 C ATOM 1012 CE LYS A 68 13.671 -2.740 5.209 1.00 0.00 C ATOM 1013 NZ LYS A 68 12.873 -3.373 4.122 1.00 0.00 N ATOM 0 H LYS A 68 15.210 3.236 4.342 1.00 0.00 H new ATOM 0 HA LYS A 68 16.535 0.789 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.397 1.205 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.557 1.210 3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 68 14.050 -1.031 3.062 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.463 -1.040 4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.952 -0.805 6.097 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.567 -0.908 5.028 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.710 -3.060 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.304 -3.084 6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.945 -4.408 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.877 -3.088 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.239 -3.065 3.198 1.00 0.00 H new ATOM 1027 N GLY A 69 16.450 2.091 1.127 1.00 0.00 N ATOM 1028 CA GLY A 69 16.322 2.274 -0.307 1.00 0.00 C ATOM 1029 C GLY A 69 16.965 1.148 -1.094 1.00 0.00 C ATOM 1030 O GLY A 69 17.670 1.389 -2.074 1.00 0.00 O ATOM 0 H GLY A 69 17.355 2.359 1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.266 2.340 -0.569 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.781 3.221 -0.592 1.00 0.00 H new ATOM 1034 N LYS A 70 16.723 -0.085 -0.664 1.00 0.00 N ATOM 1035 CA LYS A 70 17.283 -1.253 -1.334 1.00 0.00 C ATOM 1036 C LYS A 70 17.065 -1.172 -2.841 1.00 0.00 C ATOM 1037 O LYS A 70 15.938 -1.008 -3.308 1.00 0.00 O ATOM 1038 CB LYS A 70 16.651 -2.534 -0.784 1.00 0.00 C ATOM 1039 CG LYS A 70 17.539 -3.759 -0.924 1.00 0.00 C ATOM 1040 CD LYS A 70 18.494 -3.892 0.250 1.00 0.00 C ATOM 1041 CE LYS A 70 19.408 -5.097 0.091 1.00 0.00 C ATOM 1042 NZ LYS A 70 20.534 -5.072 1.065 1.00 0.00 N ATOM 0 H LYS A 70 16.142 -0.302 0.146 1.00 0.00 H new ATOM 0 HA LYS A 70 18.356 -1.273 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.411 -2.388 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.710 -2.717 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.919 -4.653 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.108 -3.693 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 70 19.095 -2.987 0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.925 -3.985 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.830 -6.011 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.806 -5.120 -0.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 21.134 -5.910 0.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 21.101 -4.212 0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 20.155 -5.076 2.034 1.00 0.00 H new ATOM 1056 N LYS A 71 18.150 -1.290 -3.599 1.00 0.00 N ATOM 1057 CA LYS A 71 18.078 -1.233 -5.054 1.00 0.00 C ATOM 1058 C LYS A 71 18.578 -2.534 -5.675 1.00 0.00 C ATOM 1059 O LYS A 71 19.712 -2.951 -5.437 1.00 0.00 O ATOM 1060 CB LYS A 71 18.901 -0.055 -5.580 1.00 0.00 C ATOM 1061 CG LYS A 71 18.583 0.314 -7.019 1.00 0.00 C ATOM 1062 CD LYS A 71 19.717 1.099 -7.657 1.00 0.00 C ATOM 1063 CE LYS A 71 19.381 1.504 -9.084 1.00 0.00 C ATOM 1064 NZ LYS A 71 18.320 2.547 -9.129 1.00 0.00 N ATOM 0 H LYS A 71 19.091 -1.426 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 71 17.034 -1.094 -5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 71 18.726 0.813 -4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 71 19.960 -0.299 -5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.397 -0.592 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.668 0.905 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.923 1.990 -7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.625 0.496 -7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.279 1.878 -9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.053 0.627 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.215 2.893 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.419 2.140 -8.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.584 3.338 -8.508 1.00 0.00 H new ATOM 1078 N LYS A 72 17.726 -3.169 -6.472 1.00 0.00 N ATOM 1079 CA LYS A 72 18.082 -4.421 -7.130 1.00 0.00 C ATOM 1080 C LYS A 72 18.315 -4.205 -8.621 1.00 0.00 C ATOM 1081 O LYS A 72 19.392 -4.498 -9.141 1.00 0.00 O ATOM 1082 CB LYS A 72 16.979 -5.462 -6.921 1.00 0.00 C ATOM 1083 CG LYS A 72 17.206 -6.751 -7.692 1.00 0.00 C ATOM 1084 CD LYS A 72 18.087 -7.716 -6.918 1.00 0.00 C ATOM 1085 CE LYS A 72 18.271 -9.027 -7.667 1.00 0.00 C ATOM 1086 NZ LYS A 72 17.057 -9.885 -7.591 1.00 0.00 N ATOM 0 H LYS A 72 16.784 -2.837 -6.678 1.00 0.00 H new ATOM 0 HA LYS A 72 19.008 -4.786 -6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 72 16.905 -5.692 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.023 -5.032 -7.221 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.247 -7.223 -7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.669 -6.525 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 72 19.060 -7.258 -6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.643 -7.913 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 72 18.504 -8.819 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.123 -9.566 -7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.229 -10.776 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.839 -10.091 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.253 -9.388 -8.025 1.00 0.00 H new ATOM 1100 N LYS A 73 17.300 -3.688 -9.306 1.00 0.00 N ATOM 1101 CA LYS A 73 17.395 -3.429 -10.737 1.00 0.00 C ATOM 1102 C LYS A 73 16.745 -2.096 -11.093 1.00 0.00 C ATOM 1103 O LYS A 73 16.069 -1.484 -10.267 1.00 0.00 O ATOM 1104 CB LYS A 73 16.730 -4.560 -11.526 1.00 0.00 C ATOM 1105 CG LYS A 73 17.580 -5.815 -11.624 1.00 0.00 C ATOM 1106 CD LYS A 73 16.918 -6.870 -12.495 1.00 0.00 C ATOM 1107 CE LYS A 73 15.781 -7.565 -11.761 1.00 0.00 C ATOM 1108 NZ LYS A 73 16.285 -8.553 -10.766 1.00 0.00 N ATOM 0 H LYS A 73 16.401 -3.440 -8.892 1.00 0.00 H new ATOM 0 HA LYS A 73 18.451 -3.381 -11.003 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.780 -4.811 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 73 16.503 -4.206 -12.531 1.00 0.00 H new ATOM 0 HG2 LYS A 73 18.557 -5.563 -12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.750 -6.220 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.536 -6.405 -13.404 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.659 -7.608 -12.802 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.167 -6.820 -11.254 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.139 -8.071 -12.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.848 -9.480 -10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 17.318 -8.636 -10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.041 -8.234 -9.806 1.00 0.00 H new ATOM 1122 N SER A 74 16.952 -1.653 -12.329 1.00 0.00 N ATOM 1123 CA SER A 74 16.388 -0.391 -12.794 1.00 0.00 C ATOM 1124 C SER A 74 15.362 -0.628 -13.898 1.00 0.00 C ATOM 1125 O SER A 74 15.369 -1.669 -14.554 1.00 0.00 O ATOM 1126 CB SER A 74 17.498 0.531 -13.303 1.00 0.00 C ATOM 1127 OG SER A 74 18.049 1.297 -12.246 1.00 0.00 O ATOM 0 H SER A 74 17.506 -2.149 -13.027 1.00 0.00 H new ATOM 0 HA SER A 74 15.886 0.086 -11.952 1.00 0.00 H new ATOM 0 HB2 SER A 74 18.282 -0.063 -13.773 1.00 0.00 H new ATOM 0 HB3 SER A 74 17.100 1.196 -14.069 1.00 0.00 H new ATOM 0 HG SER A 74 18.757 1.877 -12.597 1.00 0.00 H new ATOM 1133 N GLY A 75 14.480 0.347 -14.096 1.00 0.00 N ATOM 1134 CA GLY A 75 13.459 0.226 -15.121 1.00 0.00 C ATOM 1135 C GLY A 75 13.734 1.110 -16.320 1.00 0.00 C ATOM 1136 O GLY A 75 13.211 2.219 -16.434 1.00 0.00 O ATOM 0 H GLY A 75 14.454 1.218 -13.566 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.396 -0.813 -15.446 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.490 0.486 -14.696 1.00 0.00 H new ATOM 1140 N PRO A 76 14.576 0.619 -17.242 1.00 0.00 N ATOM 1141 CA PRO A 76 14.939 1.357 -18.455 1.00 0.00 C ATOM 1142 C PRO A 76 13.777 1.471 -19.435 1.00 0.00 C ATOM 1143 O PRO A 76 12.690 0.949 -19.187 1.00 0.00 O ATOM 1144 CB PRO A 76 16.066 0.515 -19.059 1.00 0.00 C ATOM 1145 CG PRO A 76 15.826 -0.863 -18.544 1.00 0.00 C ATOM 1146 CD PRO A 76 15.236 -0.695 -17.172 1.00 0.00 C ATOM 0 HA PRO A 76 15.227 2.385 -18.235 1.00 0.00 H new ATOM 0 HB2 PRO A 76 16.040 0.541 -20.148 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.045 0.887 -18.755 1.00 0.00 H new ATOM 0 HG2 PRO A 76 15.146 -1.411 -19.197 1.00 0.00 H new ATOM 0 HG3 PRO A 76 16.755 -1.431 -18.502 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.526 -1.489 -16.940 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.004 -0.718 -16.399 1.00 0.00 H new ATOM 1154 N SER A 77 14.012 2.157 -20.549 1.00 0.00 N ATOM 1155 CA SER A 77 12.983 2.342 -21.565 1.00 0.00 C ATOM 1156 C SER A 77 13.136 1.319 -22.687 1.00 0.00 C ATOM 1157 O SER A 77 12.190 0.610 -23.029 1.00 0.00 O ATOM 1158 CB SER A 77 13.052 3.758 -22.139 1.00 0.00 C ATOM 1159 OG SER A 77 12.468 4.697 -21.252 1.00 0.00 O ATOM 0 H SER A 77 14.907 2.594 -20.771 1.00 0.00 H new ATOM 0 HA SER A 77 12.012 2.195 -21.093 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.091 4.028 -22.326 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.536 3.790 -23.099 1.00 0.00 H new ATOM 0 HG SER A 77 12.526 5.595 -21.641 1.00 0.00 H new ATOM 1165 N SER A 78 14.336 1.248 -23.255 1.00 0.00 N ATOM 1166 CA SER A 78 14.613 0.315 -24.341 1.00 0.00 C ATOM 1167 C SER A 78 14.189 -1.100 -23.962 1.00 0.00 C ATOM 1168 O SER A 78 14.492 -1.580 -22.871 1.00 0.00 O ATOM 1169 CB SER A 78 16.102 0.337 -24.692 1.00 0.00 C ATOM 1170 OG SER A 78 16.901 0.142 -23.538 1.00 0.00 O ATOM 0 H SER A 78 15.131 1.825 -22.981 1.00 0.00 H new ATOM 0 HA SER A 78 14.037 0.627 -25.212 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.318 -0.442 -25.423 1.00 0.00 H new ATOM 0 HB3 SER A 78 16.355 1.290 -25.157 1.00 0.00 H new ATOM 0 HG SER A 78 17.848 0.159 -23.789 1.00 0.00 H new ATOM 1176 N GLY A 79 13.485 -1.764 -24.874 1.00 0.00 N ATOM 1177 CA GLY A 79 13.030 -3.118 -24.618 1.00 0.00 C ATOM 1178 C GLY A 79 11.750 -3.449 -25.360 1.00 0.00 C ATOM 1179 O GLY A 79 11.184 -2.598 -26.046 1.00 0.00 O ATOM 0 H GLY A 79 13.222 -1.388 -25.785 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.809 -3.822 -24.912 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.870 -3.248 -23.548 1.00 0.00 H new TER 1183 GLY A 79