USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 726 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 40 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 TYR OH : rot -73:sc= 1.28 USER MOD Set 2.1: A 14 TYR OH : rot -100:sc= 0.493 USER MOD Set 2.2: A 44 GLN : amide:sc= 0.818 K(o=1.3,f=0.69) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -3.1! C(o=-3.1!,f=-2.9!) USER MOD Single : A 15 ASN : amide:sc= -0.0815 X(o=-0.082,f=-0.076) USER MOD Single : A 16 SER OG : rot 180:sc= -2.68! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.11 USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= -0.0351 (180deg=-0.306) USER MOD Single : A 25 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.073) USER MOD Single : A 27 HIS : no HD1:sc= -0.603 K(o=-0.6,f=-0.078) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00201 USER MOD Single : A 37 LYS NZ :NH3+ -120:sc= 0.671 (180deg=-0.0694) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.447 K(o=-0.45,f=-2.4!) USER MOD Single : A 46 GLN : amide:sc= -0.0553 K(o=-0.055,f=-0.68) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.57) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0023 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 50:sc= -1.67 USER MOD Single : A 70 ASN : amide:sc= -3.13 K(o=-3.1,f=-1) USER MOD Single : A 73 ASN : amide:sc= -0.918 X(o=-0.92,f=-0.7) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= -0.162 USER MOD Single : A 80 SER OG : rot 99:sc= 1.88 USER MOD Single : A 81 ASN : amide:sc= -0.679 K(o=-0.68,f=-1.2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -12.007 -14.783 12.308 1.00 70.41 N ATOM 2 CA HIS A 1 -12.701 -14.902 13.586 1.00 54.12 C ATOM 3 C HIS A 1 -13.307 -13.565 14.001 1.00 42.22 C ATOM 4 O HIS A 1 -14.523 -13.439 14.139 1.00 11.03 O ATOM 5 CB HIS A 1 -11.744 -15.400 14.667 1.00 72.23 C ATOM 6 CG HIS A 1 -11.638 -16.893 14.734 1.00 54.02 C ATOM 7 ND1 HIS A 1 -10.669 -17.610 14.065 1.00 40.31 N ATOM 8 CD2 HIS A 1 -12.388 -17.805 15.395 1.00 23.41 C ATOM 9 CE1 HIS A 1 -10.827 -18.898 14.312 1.00 52.35 C ATOM 10 NE2 HIS A 1 -11.865 -19.043 15.118 1.00 44.51 N ATOM 0 H1 HIS A 1 -11.603 -15.704 12.045 1.00 70.41 H new ATOM 0 H2 HIS A 1 -12.679 -14.478 11.575 1.00 70.41 H new ATOM 0 H3 HIS A 1 -11.244 -14.081 12.391 1.00 70.41 H new ATOM 0 HA HIS A 1 -13.508 -15.625 13.467 1.00 54.12 H new ATOM 0 HB2 HIS A 1 -10.754 -14.982 14.485 1.00 72.23 H new ATOM 0 HB3 HIS A 1 -12.075 -15.024 15.635 1.00 72.23 H new ATOM 0 HD2 HIS A 1 -13.241 -17.597 16.024 1.00 23.41 H new ATOM 0 HE1 HIS A 1 -10.213 -19.696 13.922 1.00 52.35 H new ATOM 0 HE2 HIS A 1 -12.219 -19.930 15.476 1.00 44.51 H new ATOM 19 N MET A 2 -12.449 -12.569 14.198 1.00 32.34 N ATOM 20 CA MET A 2 -12.899 -11.241 14.598 1.00 61.53 C ATOM 21 C MET A 2 -12.390 -10.179 13.629 1.00 73.24 C ATOM 22 O MET A 2 -11.345 -10.349 13.000 1.00 72.01 O ATOM 23 CB MET A 2 -12.423 -10.922 16.018 1.00 52.23 C ATOM 24 CG MET A 2 -10.914 -10.984 16.179 1.00 51.41 C ATOM 25 SD MET A 2 -10.385 -12.309 17.281 1.00 12.42 S ATOM 26 CE MET A 2 -9.255 -11.426 18.354 1.00 70.10 C ATOM 0 H MET A 2 -11.439 -12.657 14.087 1.00 32.34 H new ATOM 0 HA MET A 2 -13.989 -11.234 14.578 1.00 61.53 H new ATOM 0 HB2 MET A 2 -12.769 -9.926 16.294 1.00 52.23 H new ATOM 0 HB3 MET A 2 -12.884 -11.623 16.713 1.00 52.23 H new ATOM 0 HG2 MET A 2 -10.454 -11.125 15.201 1.00 51.41 H new ATOM 0 HG3 MET A 2 -10.555 -10.030 16.566 1.00 51.41 H new ATOM 0 HE1 MET A 2 -8.843 -12.113 19.093 1.00 70.10 H new ATOM 0 HE2 MET A 2 -8.445 -11.003 17.760 1.00 70.10 H new ATOM 0 HE3 MET A 2 -9.789 -10.623 18.863 1.00 70.10 H new ATOM 36 N LYS A 3 -13.135 -9.084 13.512 1.00 75.25 N ATOM 37 CA LYS A 3 -12.759 -7.995 12.619 1.00 22.00 C ATOM 38 C LYS A 3 -11.991 -6.914 13.374 1.00 15.53 C ATOM 39 O LYS A 3 -12.173 -6.739 14.578 1.00 30.31 O ATOM 40 CB LYS A 3 -14.004 -7.390 11.967 1.00 70.14 C ATOM 41 CG LYS A 3 -14.886 -6.620 12.936 1.00 41.34 C ATOM 42 CD LYS A 3 -16.356 -6.943 12.728 1.00 64.22 C ATOM 43 CE LYS A 3 -17.242 -5.763 13.093 1.00 2.11 C ATOM 44 NZ LYS A 3 -18.519 -6.201 13.722 1.00 71.21 N ATOM 0 H LYS A 3 -14.003 -8.928 14.025 1.00 75.25 H new ATOM 0 HA LYS A 3 -12.111 -8.402 11.842 1.00 22.00 H new ATOM 0 HB2 LYS A 3 -13.695 -6.723 11.162 1.00 70.14 H new ATOM 0 HB3 LYS A 3 -14.590 -8.189 11.512 1.00 70.14 H new ATOM 0 HG2 LYS A 3 -14.601 -6.862 13.960 1.00 41.34 H new ATOM 0 HG3 LYS A 3 -14.725 -5.550 12.804 1.00 41.34 H new ATOM 0 HD2 LYS A 3 -16.525 -7.218 11.687 1.00 64.22 H new ATOM 0 HD3 LYS A 3 -16.629 -7.806 13.335 1.00 64.22 H new ATOM 0 HE2 LYS A 3 -16.707 -5.105 13.778 1.00 2.11 H new ATOM 0 HE3 LYS A 3 -17.459 -5.181 12.197 1.00 2.11 H new ATOM 0 HZ1 LYS A 3 -19.095 -5.367 13.956 1.00 71.21 H new ATOM 0 HZ2 LYS A 3 -19.042 -6.808 13.059 1.00 71.21 H new ATOM 0 HZ3 LYS A 3 -18.313 -6.734 14.591 1.00 71.21 H new ATOM 58 N GLU A 4 -11.135 -6.192 12.657 1.00 30.12 N ATOM 59 CA GLU A 4 -10.342 -5.129 13.261 1.00 22.12 C ATOM 60 C GLU A 4 -9.641 -4.298 12.190 1.00 71.44 C ATOM 61 O GLU A 4 -9.805 -4.542 10.994 1.00 4.23 O ATOM 62 CB GLU A 4 -9.309 -5.716 14.224 1.00 64.32 C ATOM 63 CG GLU A 4 -9.297 -5.047 15.588 1.00 73.02 C ATOM 64 CD GLU A 4 -8.572 -5.869 16.635 1.00 2.12 C ATOM 65 OE1 GLU A 4 -7.580 -6.540 16.282 1.00 54.25 O ATOM 66 OE2 GLU A 4 -8.994 -5.837 17.811 1.00 51.42 O ATOM 0 H GLU A 4 -10.974 -6.324 11.659 1.00 30.12 H new ATOM 0 HA GLU A 4 -11.017 -4.479 13.817 1.00 22.12 H new ATOM 0 HB2 GLU A 4 -9.508 -6.780 14.353 1.00 64.32 H new ATOM 0 HB3 GLU A 4 -8.318 -5.629 13.778 1.00 64.32 H new ATOM 0 HG2 GLU A 4 -8.821 -4.070 15.505 1.00 73.02 H new ATOM 0 HG3 GLU A 4 -10.323 -4.875 15.913 1.00 73.02 H new ATOM 73 N ARG A 5 -8.859 -3.317 12.628 1.00 52.25 N ATOM 74 CA ARG A 5 -8.133 -2.449 11.707 1.00 11.54 C ATOM 75 C ARG A 5 -6.957 -3.188 11.077 1.00 41.40 C ATOM 76 O ARG A 5 -6.492 -4.210 11.582 1.00 42.34 O ATOM 77 CB ARG A 5 -7.633 -1.201 12.436 1.00 34.23 C ATOM 78 CG ARG A 5 -8.622 -0.046 12.414 1.00 31.41 C ATOM 79 CD ARG A 5 -8.585 0.744 13.713 1.00 32.41 C ATOM 80 NE ARG A 5 -9.103 -0.029 14.839 1.00 40.40 N ATOM 81 CZ ARG A 5 -9.077 0.397 16.097 1.00 51.33 C ATOM 82 NH1 ARG A 5 -8.562 1.583 16.388 1.00 2.21 N ATOM 83 NH2 ARG A 5 -9.567 -0.364 17.067 1.00 12.33 N ATOM 0 H ARG A 5 -8.712 -3.103 13.614 1.00 52.25 H new ATOM 0 HA ARG A 5 -8.818 -2.148 10.914 1.00 11.54 H new ATOM 0 HB2 ARG A 5 -7.412 -1.459 13.472 1.00 34.23 H new ATOM 0 HB3 ARG A 5 -6.697 -0.876 11.982 1.00 34.23 H new ATOM 0 HG2 ARG A 5 -8.393 0.615 11.578 1.00 31.41 H new ATOM 0 HG3 ARG A 5 -9.629 -0.431 12.249 1.00 31.41 H new ATOM 0 HD2 ARG A 5 -7.560 1.048 13.923 1.00 32.41 H new ATOM 0 HD3 ARG A 5 -9.171 1.656 13.599 1.00 32.41 H new ATOM 0 HE ARG A 5 -9.507 -0.946 14.649 1.00 40.40 H new ATOM 0 HH11 ARG A 5 -8.184 2.171 15.645 1.00 2.21 H new ATOM 0 HH12 ARG A 5 -8.543 1.908 17.355 1.00 2.21 H new ATOM 0 HH21 ARG A 5 -9.964 -1.277 16.847 1.00 12.33 H new ATOM 0 HH22 ARG A 5 -9.546 -0.036 18.033 1.00 12.33 H new ATOM 97 N PRO A 6 -6.464 -2.660 9.947 1.00 53.21 N ATOM 98 CA PRO A 6 -5.336 -3.253 9.223 1.00 45.44 C ATOM 99 C PRO A 6 -4.020 -3.108 9.980 1.00 63.23 C ATOM 100 O PRO A 6 -3.916 -2.363 10.956 1.00 50.55 O ATOM 101 CB PRO A 6 -5.292 -2.455 7.918 1.00 24.10 C ATOM 102 CG PRO A 6 -5.920 -1.147 8.253 1.00 1.23 C ATOM 103 CD PRO A 6 -6.969 -1.444 9.288 1.00 1.02 C ATOM 0 HA PRO A 6 -5.464 -4.326 9.079 1.00 45.44 H new ATOM 0 HB2 PRO A 6 -4.268 -2.324 7.568 1.00 24.10 H new ATOM 0 HB3 PRO A 6 -5.838 -2.964 7.124 1.00 24.10 H new ATOM 0 HG2 PRO A 6 -5.180 -0.446 8.638 1.00 1.23 H new ATOM 0 HG3 PRO A 6 -6.363 -0.689 7.369 1.00 1.23 H new ATOM 0 HD2 PRO A 6 -7.081 -0.621 9.994 1.00 1.02 H new ATOM 0 HD3 PRO A 6 -7.946 -1.609 8.834 1.00 1.02 H new ATOM 111 N PRO A 7 -2.990 -3.834 9.522 1.00 64.15 N ATOM 112 CA PRO A 7 -1.661 -3.802 10.142 1.00 34.21 C ATOM 113 C PRO A 7 -0.949 -2.472 9.919 1.00 72.42 C ATOM 114 O PRO A 7 -1.370 -1.643 9.112 1.00 52.04 O ATOM 115 CB PRO A 7 -0.913 -4.935 9.435 1.00 1.11 C ATOM 116 CG PRO A 7 -1.595 -5.077 8.119 1.00 10.13 C ATOM 117 CD PRO A 7 -3.040 -4.743 8.365 1.00 74.31 C ATOM 0 HA PRO A 7 -1.713 -3.918 11.225 1.00 34.21 H new ATOM 0 HB2 PRO A 7 0.143 -4.694 9.310 1.00 1.11 H new ATOM 0 HB3 PRO A 7 -0.963 -5.861 10.009 1.00 1.11 H new ATOM 0 HG2 PRO A 7 -1.160 -4.406 7.379 1.00 10.13 H new ATOM 0 HG3 PRO A 7 -1.489 -6.090 7.731 1.00 10.13 H new ATOM 0 HD2 PRO A 7 -3.495 -4.264 7.498 1.00 74.31 H new ATOM 0 HD3 PRO A 7 -3.627 -5.636 8.581 1.00 74.31 H new ATOM 125 N PRO A 8 0.154 -2.260 10.651 1.00 54.03 N ATOM 126 CA PRO A 8 0.948 -1.033 10.549 1.00 35.31 C ATOM 127 C PRO A 8 1.690 -0.930 9.221 1.00 61.42 C ATOM 128 O PRO A 8 1.588 -1.816 8.372 1.00 2.14 O ATOM 129 CB PRO A 8 1.941 -1.154 11.709 1.00 75.12 C ATOM 130 CG PRO A 8 2.062 -2.619 11.952 1.00 51.41 C ATOM 131 CD PRO A 8 0.713 -3.205 11.634 1.00 14.54 C ATOM 0 HA PRO A 8 0.324 -0.140 10.595 1.00 35.31 H new ATOM 0 HB2 PRO A 8 2.905 -0.714 11.453 1.00 75.12 H new ATOM 0 HB3 PRO A 8 1.579 -0.634 12.596 1.00 75.12 H new ATOM 0 HG2 PRO A 8 2.836 -3.056 11.321 1.00 51.41 H new ATOM 0 HG3 PRO A 8 2.341 -2.821 12.986 1.00 51.41 H new ATOM 0 HD2 PRO A 8 0.799 -4.210 11.221 1.00 14.54 H new ATOM 0 HD3 PRO A 8 0.087 -3.278 12.523 1.00 14.54 H new ATOM 139 N VAL A 9 2.438 0.155 9.049 1.00 32.34 N ATOM 140 CA VAL A 9 3.199 0.373 7.824 1.00 74.11 C ATOM 141 C VAL A 9 4.120 -0.807 7.533 1.00 40.21 C ATOM 142 O VAL A 9 4.676 -1.430 8.437 1.00 24.13 O ATOM 143 CB VAL A 9 4.041 1.659 7.907 1.00 22.15 C ATOM 144 CG1 VAL A 9 3.165 2.886 7.702 1.00 64.23 C ATOM 145 CG2 VAL A 9 4.771 1.732 9.241 1.00 42.52 C ATOM 0 H VAL A 9 2.533 0.897 9.742 1.00 32.34 H new ATOM 0 HA VAL A 9 2.475 0.474 7.015 1.00 74.11 H new ATOM 0 HB VAL A 9 4.785 1.637 7.111 1.00 22.15 H new ATOM 0 HG11 VAL A 9 3.778 3.785 7.764 1.00 64.23 H new ATOM 0 HG12 VAL A 9 2.693 2.836 6.721 1.00 64.23 H new ATOM 0 HG13 VAL A 9 2.396 2.917 8.474 1.00 64.23 H new ATOM 0 HG21 VAL A 9 5.362 2.647 9.283 1.00 42.52 H new ATOM 0 HG22 VAL A 9 4.045 1.731 10.054 1.00 42.52 H new ATOM 0 HG23 VAL A 9 5.430 0.870 9.343 1.00 42.52 H new ATOM 155 N PRO A 10 4.286 -1.123 6.240 1.00 3.12 N ATOM 156 CA PRO A 10 5.140 -2.229 5.799 1.00 2.22 C ATOM 157 C PRO A 10 6.622 -1.942 6.020 1.00 42.52 C ATOM 158 O PRO A 10 7.366 -1.705 5.069 1.00 32.45 O ATOM 159 CB PRO A 10 4.835 -2.339 4.304 1.00 13.43 C ATOM 160 CG PRO A 10 4.371 -0.978 3.910 1.00 41.33 C ATOM 161 CD PRO A 10 3.653 -0.423 5.109 1.00 31.34 C ATOM 0 HA PRO A 10 4.941 -3.144 6.357 1.00 2.22 H new ATOM 0 HB2 PRO A 10 5.720 -2.634 3.740 1.00 13.43 H new ATOM 0 HB3 PRO A 10 4.069 -3.090 4.111 1.00 13.43 H new ATOM 0 HG2 PRO A 10 5.213 -0.344 3.631 1.00 41.33 H new ATOM 0 HG3 PRO A 10 3.708 -1.026 3.046 1.00 41.33 H new ATOM 0 HD2 PRO A 10 3.775 0.657 5.186 1.00 31.34 H new ATOM 0 HD3 PRO A 10 2.582 -0.620 5.063 1.00 31.34 H new ATOM 169 N ASN A 11 7.042 -1.966 7.280 1.00 21.33 N ATOM 170 CA ASN A 11 8.435 -1.708 7.625 1.00 23.42 C ATOM 171 C ASN A 11 9.019 -0.604 6.750 1.00 14.34 C ATOM 172 O ASN A 11 9.672 -0.860 5.738 1.00 52.23 O ATOM 173 CB ASN A 11 9.265 -2.984 7.476 1.00 21.11 C ATOM 174 CG ASN A 11 9.072 -3.644 6.124 1.00 22.14 C ATOM 175 OD1 ASN A 11 9.823 -3.386 5.183 1.00 64.43 O ATOM 176 ND2 ASN A 11 8.061 -4.499 6.021 1.00 43.14 N ATOM 0 H ASN A 11 6.438 -2.161 8.079 1.00 21.33 H new ATOM 0 HA ASN A 11 8.469 -1.379 8.664 1.00 23.42 H new ATOM 0 HB2 ASN A 11 10.320 -2.746 7.614 1.00 21.11 H new ATOM 0 HB3 ASN A 11 8.991 -3.687 8.263 1.00 21.11 H new ATOM 0 HD21 ASN A 11 7.882 -4.972 5.135 1.00 43.14 H new ATOM 0 HD22 ASN A 11 7.464 -4.682 6.827 1.00 43.14 H new ATOM 183 N PRO A 12 8.776 0.655 7.144 1.00 52.41 N ATOM 184 CA PRO A 12 9.269 1.824 6.408 1.00 23.24 C ATOM 185 C PRO A 12 10.782 1.978 6.512 1.00 53.54 C ATOM 186 O PRO A 12 11.360 1.819 7.587 1.00 11.21 O ATOM 187 CB PRO A 12 8.563 2.996 7.093 1.00 3.32 C ATOM 188 CG PRO A 12 8.266 2.510 8.468 1.00 2.05 C ATOM 189 CD PRO A 12 8.003 1.035 8.338 1.00 64.12 C ATOM 0 HA PRO A 12 9.064 1.751 5.340 1.00 23.24 H new ATOM 0 HB2 PRO A 12 9.198 3.882 7.115 1.00 3.32 H new ATOM 0 HB3 PRO A 12 7.650 3.271 6.565 1.00 3.32 H new ATOM 0 HG2 PRO A 12 9.104 2.699 9.138 1.00 2.05 H new ATOM 0 HG3 PRO A 12 7.401 3.025 8.886 1.00 2.05 H new ATOM 0 HD2 PRO A 12 8.333 0.488 9.221 1.00 64.12 H new ATOM 0 HD3 PRO A 12 6.941 0.826 8.212 1.00 64.12 H new ATOM 197 N ASP A 13 11.419 2.288 5.388 1.00 11.43 N ATOM 198 CA ASP A 13 12.866 2.466 5.353 1.00 14.42 C ATOM 199 C ASP A 13 13.283 3.293 4.141 1.00 52.52 C ATOM 200 O ASP A 13 14.120 2.868 3.344 1.00 63.32 O ATOM 201 CB ASP A 13 13.566 1.107 5.325 1.00 3.55 C ATOM 202 CG ASP A 13 13.693 0.492 6.704 1.00 64.21 C ATOM 203 OD1 ASP A 13 14.461 1.032 7.527 1.00 5.24 O ATOM 204 OD2 ASP A 13 13.024 -0.529 6.961 1.00 74.32 O ATOM 0 H ASP A 13 10.956 2.421 4.489 1.00 11.43 H new ATOM 0 HA ASP A 13 13.164 3.002 6.254 1.00 14.42 H new ATOM 0 HB2 ASP A 13 13.010 0.429 4.678 1.00 3.55 H new ATOM 0 HB3 ASP A 13 14.558 1.222 4.889 1.00 3.55 H new ATOM 210 N TYR A 14 12.692 4.475 4.006 1.00 1.41 N ATOM 211 CA TYR A 14 12.999 5.360 2.888 1.00 31.54 C ATOM 212 C TYR A 14 14.299 6.119 3.136 1.00 1.43 C ATOM 213 O TYR A 14 14.915 6.638 2.206 1.00 30.22 O ATOM 214 CB TYR A 14 11.853 6.349 2.664 1.00 53.45 C ATOM 215 CG TYR A 14 11.475 7.128 3.901 1.00 33.25 C ATOM 216 CD1 TYR A 14 12.304 8.127 4.398 1.00 30.41 C ATOM 217 CD2 TYR A 14 10.288 6.867 4.575 1.00 21.34 C ATOM 218 CE1 TYR A 14 11.962 8.842 5.530 1.00 75.31 C ATOM 219 CE2 TYR A 14 9.937 7.578 5.706 1.00 25.24 C ATOM 220 CZ TYR A 14 10.778 8.564 6.180 1.00 21.43 C ATOM 221 OH TYR A 14 10.434 9.273 7.308 1.00 34.25 O ATOM 0 H TYR A 14 11.998 4.843 4.657 1.00 1.41 H new ATOM 0 HA TYR A 14 13.121 4.747 1.995 1.00 31.54 H new ATOM 0 HB2 TYR A 14 12.136 7.048 1.877 1.00 53.45 H new ATOM 0 HB3 TYR A 14 10.979 5.804 2.307 1.00 53.45 H new ATOM 0 HD1 TYR A 14 13.231 8.348 3.891 1.00 30.41 H new ATOM 0 HD2 TYR A 14 9.628 6.095 4.208 1.00 21.34 H new ATOM 0 HE1 TYR A 14 12.618 9.614 5.904 1.00 75.31 H new ATOM 0 HE2 TYR A 14 9.010 7.363 6.216 1.00 25.24 H new ATOM 0 HH TYR A 14 10.641 8.741 8.105 1.00 34.25 H new ATOM 231 N ASN A 15 14.710 6.179 4.400 1.00 53.45 N ATOM 232 CA ASN A 15 15.937 6.875 4.771 1.00 72.21 C ATOM 233 C ASN A 15 17.149 6.236 4.100 1.00 1.01 C ATOM 234 O ASN A 15 17.367 5.030 4.206 1.00 31.54 O ATOM 235 CB ASN A 15 16.115 6.861 6.291 1.00 51.25 C ATOM 236 CG ASN A 15 16.133 8.256 6.884 1.00 71.14 C ATOM 237 OD1 ASN A 15 16.986 8.582 7.709 1.00 64.22 O ATOM 238 ND2 ASN A 15 15.186 9.089 6.464 1.00 21.52 N ATOM 0 H ASN A 15 14.212 5.755 5.183 1.00 53.45 H new ATOM 0 HA ASN A 15 15.858 7.907 4.430 1.00 72.21 H new ATOM 0 HB2 ASN A 15 15.306 6.287 6.743 1.00 51.25 H new ATOM 0 HB3 ASN A 15 17.046 6.351 6.540 1.00 51.25 H new ATOM 0 HD21 ASN A 15 15.147 10.041 6.827 1.00 21.52 H new ATOM 0 HD22 ASN A 15 14.499 8.776 5.778 1.00 21.52 H new ATOM 245 N SER A 16 17.935 7.055 3.409 1.00 62.04 N ATOM 246 CA SER A 16 19.125 6.570 2.717 1.00 73.25 C ATOM 247 C SER A 16 20.313 6.494 3.670 1.00 23.30 C ATOM 248 O SER A 16 20.857 5.416 3.919 1.00 31.33 O ATOM 249 CB SER A 16 19.461 7.482 1.536 1.00 42.21 C ATOM 250 OG SER A 16 20.779 7.248 1.071 1.00 15.44 O ATOM 0 H SER A 16 17.770 8.057 3.313 1.00 62.04 H new ATOM 0 HA SER A 16 18.916 5.567 2.344 1.00 73.25 H new ATOM 0 HB2 SER A 16 18.751 7.311 0.727 1.00 42.21 H new ATOM 0 HB3 SER A 16 19.358 8.525 1.836 1.00 42.21 H new ATOM 0 HG SER A 16 20.969 7.842 0.315 1.00 15.44 H new ATOM 256 N LEU A 17 20.714 7.644 4.200 1.00 54.34 N ATOM 257 CA LEU A 17 21.839 7.709 5.126 1.00 43.22 C ATOM 258 C LEU A 17 21.363 8.022 6.541 1.00 1.21 C ATOM 259 O LEU A 17 20.177 8.259 6.770 1.00 53.34 O ATOM 260 CB LEU A 17 22.843 8.770 4.667 1.00 73.43 C ATOM 261 CG LEU A 17 23.854 8.323 3.611 1.00 3.44 C ATOM 262 CD1 LEU A 17 23.225 8.349 2.225 1.00 65.31 C ATOM 263 CD2 LEU A 17 25.093 9.205 3.652 1.00 32.31 C ATOM 0 H LEU A 17 20.277 8.544 4.004 1.00 54.34 H new ATOM 0 HA LEU A 17 22.327 6.734 5.134 1.00 43.22 H new ATOM 0 HB2 LEU A 17 22.288 9.621 4.273 1.00 73.43 H new ATOM 0 HB3 LEU A 17 23.392 9.124 5.540 1.00 73.43 H new ATOM 0 HG LEU A 17 24.154 7.299 3.833 1.00 3.44 H new ATOM 0 HD11 LEU A 17 23.959 8.028 1.486 1.00 65.31 H new ATOM 0 HD12 LEU A 17 22.368 7.676 2.202 1.00 65.31 H new ATOM 0 HD13 LEU A 17 22.897 9.362 1.993 1.00 65.31 H new ATOM 0 HD21 LEU A 17 25.802 8.872 2.894 1.00 32.31 H new ATOM 0 HD22 LEU A 17 24.810 10.239 3.455 1.00 32.31 H new ATOM 0 HD23 LEU A 17 25.556 9.136 4.636 1.00 32.31 H new ATOM 275 N LYS A 18 22.296 8.024 7.487 1.00 1.12 N ATOM 276 CA LYS A 18 21.973 8.311 8.880 1.00 50.23 C ATOM 277 C LYS A 18 21.547 9.766 9.050 1.00 32.02 C ATOM 278 O LYS A 18 20.408 10.050 9.421 1.00 11.22 O ATOM 279 CB LYS A 18 23.178 8.014 9.776 1.00 51.31 C ATOM 280 CG LYS A 18 23.025 6.747 10.599 1.00 1.30 C ATOM 281 CD LYS A 18 23.232 7.018 12.080 1.00 53.44 C ATOM 282 CE LYS A 18 23.632 5.754 12.826 1.00 42.13 C ATOM 283 NZ LYS A 18 22.497 4.799 12.952 1.00 10.12 N ATOM 0 H LYS A 18 23.282 7.830 7.314 1.00 1.12 H new ATOM 0 HA LYS A 18 21.142 7.670 9.174 1.00 50.23 H new ATOM 0 HB2 LYS A 18 24.070 7.929 9.155 1.00 51.31 H new ATOM 0 HB3 LYS A 18 23.337 8.857 10.448 1.00 51.31 H new ATOM 0 HG2 LYS A 18 22.032 6.326 10.440 1.00 1.30 H new ATOM 0 HG3 LYS A 18 23.745 6.002 10.260 1.00 1.30 H new ATOM 0 HD2 LYS A 18 24.004 7.777 12.208 1.00 53.44 H new ATOM 0 HD3 LYS A 18 22.315 7.421 12.509 1.00 53.44 H new ATOM 0 HE2 LYS A 18 24.457 5.270 12.303 1.00 42.13 H new ATOM 0 HE3 LYS A 18 23.995 6.019 13.819 1.00 42.13 H new ATOM 0 HZ1 LYS A 18 22.812 3.952 13.466 1.00 10.12 H new ATOM 0 HZ2 LYS A 18 21.719 5.251 13.473 1.00 10.12 H new ATOM 0 HZ3 LYS A 18 22.166 4.526 12.005 1.00 10.12 H new ATOM 297 N LYS A 19 22.467 10.684 8.775 1.00 72.21 N ATOM 298 CA LYS A 19 22.186 12.109 8.894 1.00 20.43 C ATOM 299 C LYS A 19 21.083 12.530 7.928 1.00 30.43 C ATOM 300 O LYS A 19 20.012 12.968 8.347 1.00 13.22 O ATOM 301 CB LYS A 19 23.453 12.924 8.625 1.00 4.53 C ATOM 302 CG LYS A 19 24.230 13.275 9.883 1.00 3.11 C ATOM 303 CD LYS A 19 25.729 13.268 9.631 1.00 33.02 C ATOM 304 CE LYS A 19 26.486 12.647 10.797 1.00 12.44 C ATOM 305 NZ LYS A 19 26.838 13.659 11.831 1.00 11.24 N ATOM 0 H LYS A 19 23.415 10.466 8.468 1.00 72.21 H new ATOM 0 HA LYS A 19 21.846 12.302 9.911 1.00 20.43 H new ATOM 0 HB2 LYS A 19 24.101 12.361 7.953 1.00 4.53 H new ATOM 0 HB3 LYS A 19 23.180 13.844 8.108 1.00 4.53 H new ATOM 0 HG2 LYS A 19 23.924 14.259 10.238 1.00 3.11 H new ATOM 0 HG3 LYS A 19 23.989 12.562 10.672 1.00 3.11 H new ATOM 0 HD2 LYS A 19 25.943 12.712 8.719 1.00 33.02 H new ATOM 0 HD3 LYS A 19 26.077 14.288 9.471 1.00 33.02 H new ATOM 0 HE2 LYS A 19 25.878 11.863 11.248 1.00 12.44 H new ATOM 0 HE3 LYS A 19 27.396 12.173 10.428 1.00 12.44 H new ATOM 0 HZ1 LYS A 19 27.352 13.197 12.608 1.00 11.24 H new ATOM 0 HZ2 LYS A 19 27.439 14.394 11.407 1.00 11.24 H new ATOM 0 HZ3 LYS A 19 25.969 14.094 12.201 1.00 11.24 H new ATOM 319 N GLY A 20 21.353 12.392 6.633 1.00 24.35 N ATOM 320 CA GLY A 20 20.373 12.762 5.629 1.00 33.33 C ATOM 321 C GLY A 20 21.005 13.054 4.282 1.00 43.11 C ATOM 322 O GLY A 20 22.221 13.218 4.182 1.00 52.10 O ATOM 0 H GLY A 20 22.232 12.031 6.262 1.00 24.35 H new ATOM 0 HA2 GLY A 20 19.647 11.956 5.519 1.00 33.33 H new ATOM 0 HA3 GLY A 20 19.824 13.641 5.968 1.00 33.33 H new ATOM 326 N SER A 21 20.178 13.115 3.243 1.00 13.30 N ATOM 327 CA SER A 21 20.665 13.383 1.895 1.00 73.01 C ATOM 328 C SER A 21 19.553 13.952 1.020 1.00 33.34 C ATOM 329 O SER A 21 18.368 13.789 1.316 1.00 32.21 O ATOM 330 CB SER A 21 21.219 12.104 1.266 1.00 44.14 C ATOM 331 OG SER A 21 21.562 12.311 -0.092 1.00 52.34 O ATOM 0 H SER A 21 19.169 12.983 3.309 1.00 13.30 H new ATOM 0 HA SER A 21 21.464 14.121 1.964 1.00 73.01 H new ATOM 0 HB2 SER A 21 22.098 11.774 1.820 1.00 44.14 H new ATOM 0 HB3 SER A 21 20.478 11.308 1.340 1.00 44.14 H new ATOM 0 HG SER A 21 21.915 11.479 -0.471 1.00 52.34 H new ATOM 337 N LEU A 22 19.941 14.621 -0.060 1.00 15.54 N ATOM 338 CA LEU A 22 18.978 15.215 -0.980 1.00 52.51 C ATOM 339 C LEU A 22 19.137 14.637 -2.383 1.00 11.33 C ATOM 340 O LEU A 22 20.227 14.659 -2.956 1.00 34.55 O ATOM 341 CB LEU A 22 19.151 16.735 -1.020 1.00 53.30 C ATOM 342 CG LEU A 22 17.896 17.561 -0.737 1.00 70.12 C ATOM 343 CD1 LEU A 22 16.797 17.220 -1.731 1.00 32.43 C ATOM 344 CD2 LEU A 22 17.417 17.332 0.690 1.00 61.23 C ATOM 0 H LEU A 22 20.917 14.766 -0.320 1.00 15.54 H new ATOM 0 HA LEU A 22 17.976 14.979 -0.621 1.00 52.51 H new ATOM 0 HB2 LEU A 22 19.916 17.013 -0.295 1.00 53.30 H new ATOM 0 HB3 LEU A 22 19.530 17.012 -2.004 1.00 53.30 H new ATOM 0 HG LEU A 22 18.146 18.616 -0.850 1.00 70.12 H new ATOM 0 HD11 LEU A 22 15.912 17.818 -1.514 1.00 32.43 H new ATOM 0 HD12 LEU A 22 17.141 17.436 -2.742 1.00 32.43 H new ATOM 0 HD13 LEU A 22 16.549 16.162 -1.650 1.00 32.43 H new ATOM 0 HD21 LEU A 22 16.523 17.928 0.874 1.00 61.23 H new ATOM 0 HD22 LEU A 22 17.185 16.276 0.831 1.00 61.23 H new ATOM 0 HD23 LEU A 22 18.200 17.628 1.388 1.00 61.23 H new ATOM 356 N VAL A 23 18.041 14.124 -2.933 1.00 73.03 N ATOM 357 CA VAL A 23 18.058 13.543 -4.270 1.00 74.24 C ATOM 358 C VAL A 23 16.718 13.740 -4.972 1.00 4.12 C ATOM 359 O VAL A 23 15.842 14.448 -4.474 1.00 44.24 O ATOM 360 CB VAL A 23 18.383 12.037 -4.225 1.00 4.44 C ATOM 361 CG1 VAL A 23 19.688 11.795 -3.482 1.00 13.31 C ATOM 362 CG2 VAL A 23 17.242 11.265 -3.580 1.00 32.14 C ATOM 0 H VAL A 23 17.131 14.099 -2.474 1.00 73.03 H new ATOM 0 HA VAL A 23 18.839 14.059 -4.829 1.00 74.24 H new ATOM 0 HB VAL A 23 18.502 11.678 -5.247 1.00 4.44 H new ATOM 0 HG11 VAL A 23 19.901 10.726 -3.460 1.00 13.31 H new ATOM 0 HG12 VAL A 23 20.499 12.317 -3.991 1.00 13.31 H new ATOM 0 HG13 VAL A 23 19.600 12.168 -2.462 1.00 13.31 H new ATOM 0 HG21 VAL A 23 17.488 10.203 -3.557 1.00 32.14 H new ATOM 0 HG22 VAL A 23 17.089 11.625 -2.562 1.00 32.14 H new ATOM 0 HG23 VAL A 23 16.330 11.413 -4.158 1.00 32.14 H new ATOM 372 N LYS A 24 16.566 13.111 -6.132 1.00 3.22 N ATOM 373 CA LYS A 24 15.333 13.216 -6.904 1.00 71.23 C ATOM 374 C LYS A 24 15.261 12.120 -7.964 1.00 34.13 C ATOM 375 O LYS A 24 16.232 11.404 -8.196 1.00 62.30 O ATOM 376 CB LYS A 24 15.239 14.590 -7.569 1.00 53.32 C ATOM 377 CG LYS A 24 13.975 15.354 -7.212 1.00 44.11 C ATOM 378 CD LYS A 24 13.955 16.732 -7.853 1.00 42.13 C ATOM 379 CE LYS A 24 12.663 17.470 -7.544 1.00 2.53 C ATOM 380 NZ LYS A 24 12.395 17.533 -6.080 1.00 11.35 N ATOM 0 H LYS A 24 17.282 12.523 -6.559 1.00 3.22 H new ATOM 0 HA LYS A 24 14.493 13.092 -6.220 1.00 71.23 H new ATOM 0 HB2 LYS A 24 16.106 15.184 -7.280 1.00 53.32 H new ATOM 0 HB3 LYS A 24 15.284 14.465 -8.651 1.00 53.32 H new ATOM 0 HG2 LYS A 24 13.102 14.788 -7.538 1.00 44.11 H new ATOM 0 HG3 LYS A 24 13.903 15.455 -6.129 1.00 44.11 H new ATOM 0 HD2 LYS A 24 14.803 17.314 -7.493 1.00 42.13 H new ATOM 0 HD3 LYS A 24 14.070 16.634 -8.932 1.00 42.13 H new ATOM 0 HE2 LYS A 24 12.718 18.481 -7.947 1.00 2.53 H new ATOM 0 HE3 LYS A 24 11.832 16.972 -8.044 1.00 2.53 H new ATOM 0 HZ1 LYS A 24 11.604 18.183 -5.900 1.00 11.35 H new ATOM 0 HZ2 LYS A 24 12.150 16.584 -5.731 1.00 11.35 H new ATOM 0 HZ3 LYS A 24 13.244 17.875 -5.586 1.00 11.35 H new ATOM 394 N ASN A 25 14.102 11.999 -8.602 1.00 34.14 N ATOM 395 CA ASN A 25 13.902 10.992 -9.638 1.00 31.51 C ATOM 396 C ASN A 25 14.006 11.612 -11.028 1.00 32.34 C ATOM 397 O ASN A 25 13.367 12.626 -11.317 1.00 62.32 O ATOM 398 CB ASN A 25 12.538 10.318 -9.468 1.00 62.22 C ATOM 399 CG ASN A 25 12.207 9.386 -10.617 1.00 54.11 C ATOM 400 OD1 ASN A 25 11.105 9.422 -11.163 1.00 73.22 O ATOM 401 ND2 ASN A 25 13.164 8.542 -10.990 1.00 20.43 N ATOM 0 H ASN A 25 13.287 12.585 -8.420 1.00 34.14 H new ATOM 0 HA ASN A 25 14.686 10.242 -9.535 1.00 31.51 H new ATOM 0 HB2 ASN A 25 12.527 9.757 -8.534 1.00 62.22 H new ATOM 0 HB3 ASN A 25 11.765 11.083 -9.390 1.00 62.22 H new ATOM 0 HD21 ASN A 25 12.999 7.890 -11.757 1.00 20.43 H new ATOM 0 HD22 ASN A 25 14.064 8.546 -10.509 1.00 20.43 H new ATOM 408 N LEU A 26 14.813 10.997 -11.885 1.00 63.10 N ATOM 409 CA LEU A 26 15.001 11.489 -13.246 1.00 11.12 C ATOM 410 C LEU A 26 14.119 10.723 -14.229 1.00 33.42 C ATOM 411 O LEU A 26 14.525 9.696 -14.772 1.00 12.35 O ATOM 412 CB LEU A 26 16.469 11.364 -13.657 1.00 22.40 C ATOM 413 CG LEU A 26 17.424 12.396 -13.058 1.00 12.13 C ATOM 414 CD1 LEU A 26 18.724 11.735 -12.631 1.00 25.14 C ATOM 415 CD2 LEU A 26 17.694 13.514 -14.055 1.00 13.15 C ATOM 0 H LEU A 26 15.348 10.157 -11.662 1.00 63.10 H new ATOM 0 HA LEU A 26 14.712 12.540 -13.269 1.00 11.12 H new ATOM 0 HB2 LEU A 26 16.820 10.370 -13.380 1.00 22.40 H new ATOM 0 HB3 LEU A 26 16.528 11.431 -14.743 1.00 22.40 H new ATOM 0 HG LEU A 26 16.954 12.829 -12.175 1.00 12.13 H new ATOM 0 HD11 LEU A 26 19.391 12.485 -12.207 1.00 25.14 H new ATOM 0 HD12 LEU A 26 18.515 10.971 -11.883 1.00 25.14 H new ATOM 0 HD13 LEU A 26 19.199 11.274 -13.497 1.00 25.14 H new ATOM 0 HD21 LEU A 26 18.376 14.240 -13.612 1.00 13.15 H new ATOM 0 HD22 LEU A 26 18.143 13.097 -14.956 1.00 13.15 H new ATOM 0 HD23 LEU A 26 16.756 14.007 -14.312 1.00 13.15 H new ATOM 427 N HIS A 27 12.910 11.231 -14.451 1.00 5.24 N ATOM 428 CA HIS A 27 11.971 10.596 -15.369 1.00 3.13 C ATOM 429 C HIS A 27 11.812 11.424 -16.639 1.00 11.41 C ATOM 430 O HIS A 27 11.623 12.640 -16.581 1.00 61.52 O ATOM 431 CB HIS A 27 10.613 10.408 -14.694 1.00 11.32 C ATOM 432 CG HIS A 27 9.892 11.695 -14.431 1.00 74.11 C ATOM 433 ND1 HIS A 27 8.683 12.013 -15.016 1.00 64.21 N ATOM 434 CD2 HIS A 27 10.214 12.745 -13.642 1.00 24.24 C ATOM 435 CE1 HIS A 27 8.294 13.203 -14.597 1.00 5.54 C ATOM 436 NE2 HIS A 27 9.205 13.669 -13.762 1.00 2.52 N ATOM 0 H HIS A 27 12.558 12.080 -14.008 1.00 5.24 H new ATOM 0 HA HIS A 27 12.370 9.619 -15.641 1.00 3.13 H new ATOM 0 HB2 HIS A 27 9.989 9.773 -15.323 1.00 11.32 H new ATOM 0 HB3 HIS A 27 10.755 9.881 -13.750 1.00 11.32 H new ATOM 0 HD2 HIS A 27 11.100 12.839 -13.031 1.00 24.24 H new ATOM 0 HE1 HIS A 27 7.385 13.709 -14.888 1.00 5.54 H new ATOM 0 HE2 HIS A 27 9.166 14.569 -13.284 1.00 2.52 H new ATOM 445 N MET A 28 11.890 10.760 -17.788 1.00 74.43 N ATOM 446 CA MET A 28 11.752 11.435 -19.073 1.00 44.14 C ATOM 447 C MET A 28 10.477 10.996 -19.785 1.00 63.22 C ATOM 448 O MET A 28 9.933 11.725 -20.615 1.00 4.05 O ATOM 449 CB MET A 28 12.968 11.148 -19.957 1.00 0.05 C ATOM 450 CG MET A 28 13.201 12.197 -21.030 1.00 14.33 C ATOM 451 SD MET A 28 14.804 13.008 -20.873 1.00 5.41 S ATOM 452 CE MET A 28 14.525 14.498 -21.828 1.00 30.44 C ATOM 0 H MET A 28 12.048 9.755 -17.855 1.00 74.43 H new ATOM 0 HA MET A 28 11.691 12.507 -18.887 1.00 44.14 H new ATOM 0 HB2 MET A 28 13.856 11.080 -19.328 1.00 0.05 H new ATOM 0 HB3 MET A 28 12.839 10.176 -20.433 1.00 0.05 H new ATOM 0 HG2 MET A 28 13.130 11.729 -22.012 1.00 14.33 H new ATOM 0 HG3 MET A 28 12.412 12.947 -20.977 1.00 14.33 H new ATOM 0 HE1 MET A 28 15.429 15.107 -21.825 1.00 30.44 H new ATOM 0 HE2 MET A 28 14.271 14.231 -22.854 1.00 30.44 H new ATOM 0 HE3 MET A 28 13.705 15.065 -21.387 1.00 30.44 H new ATOM 462 N THR A 29 10.003 9.797 -19.456 1.00 0.24 N ATOM 463 CA THR A 29 8.793 9.261 -20.064 1.00 75.51 C ATOM 464 C THR A 29 8.066 8.322 -19.107 1.00 40.54 C ATOM 465 O THR A 29 8.388 7.137 -19.024 1.00 22.24 O ATOM 466 CB THR A 29 9.108 8.504 -21.368 1.00 13.32 C ATOM 467 OG1 THR A 29 9.734 9.386 -22.306 1.00 13.11 O ATOM 468 CG2 THR A 29 7.840 7.925 -21.977 1.00 33.20 C ATOM 0 H THR A 29 10.440 9.180 -18.771 1.00 0.24 H new ATOM 0 HA THR A 29 8.150 10.111 -20.292 1.00 75.51 H new ATOM 0 HB THR A 29 9.786 7.684 -21.132 1.00 13.32 H new ATOM 0 HG1 THR A 29 9.933 8.897 -23.132 1.00 13.11 H new ATOM 0 HG21 THR A 29 8.087 7.395 -22.897 1.00 33.20 H new ATOM 0 HG22 THR A 29 7.381 7.233 -21.271 1.00 33.20 H new ATOM 0 HG23 THR A 29 7.142 8.732 -22.200 1.00 33.20 H new ATOM 476 N GLU A 30 7.085 8.859 -18.390 1.00 4.15 N ATOM 477 CA GLU A 30 6.314 8.067 -17.439 1.00 11.40 C ATOM 478 C GLU A 30 5.066 8.822 -16.988 1.00 63.40 C ATOM 479 O GLU A 30 5.098 10.038 -16.806 1.00 35.24 O ATOM 480 CB GLU A 30 7.172 7.708 -16.225 1.00 20.22 C ATOM 481 CG GLU A 30 7.795 6.325 -16.308 1.00 5.32 C ATOM 482 CD GLU A 30 7.681 5.553 -15.006 1.00 14.41 C ATOM 483 OE1 GLU A 30 6.548 5.167 -14.647 1.00 25.41 O ATOM 484 OE2 GLU A 30 8.720 5.338 -14.350 1.00 71.44 O ATOM 0 H GLU A 30 6.805 9.838 -18.449 1.00 4.15 H new ATOM 0 HA GLU A 30 6.003 7.149 -17.938 1.00 11.40 H new ATOM 0 HB2 GLU A 30 7.965 8.449 -16.119 1.00 20.22 H new ATOM 0 HB3 GLU A 30 6.558 7.767 -15.326 1.00 20.22 H new ATOM 0 HG2 GLU A 30 7.311 5.760 -17.104 1.00 5.32 H new ATOM 0 HG3 GLU A 30 8.847 6.420 -16.579 1.00 5.32 H new ATOM 491 N GLU A 31 3.971 8.090 -16.812 1.00 73.10 N ATOM 492 CA GLU A 31 2.713 8.690 -16.383 1.00 14.34 C ATOM 493 C GLU A 31 1.839 7.668 -15.661 1.00 31.10 C ATOM 494 O GLU A 31 0.879 7.145 -16.227 1.00 73.15 O ATOM 495 CB GLU A 31 1.959 9.261 -17.588 1.00 33.44 C ATOM 496 CG GLU A 31 2.575 10.533 -18.144 1.00 20.13 C ATOM 497 CD GLU A 31 1.667 11.236 -19.133 1.00 54.32 C ATOM 498 OE1 GLU A 31 0.630 11.784 -18.704 1.00 72.54 O ATOM 499 OE2 GLU A 31 1.995 11.242 -20.339 1.00 70.55 O ATOM 0 H GLU A 31 3.929 7.082 -16.960 1.00 73.10 H new ATOM 0 HA GLU A 31 2.944 9.498 -15.689 1.00 14.34 H new ATOM 0 HB2 GLU A 31 1.927 8.508 -18.376 1.00 33.44 H new ATOM 0 HB3 GLU A 31 0.928 9.463 -17.298 1.00 33.44 H new ATOM 0 HG2 GLU A 31 2.804 11.211 -17.322 1.00 20.13 H new ATOM 0 HG3 GLU A 31 3.520 10.292 -18.631 1.00 20.13 H new ATOM 506 N VAL A 32 2.180 7.389 -14.407 1.00 73.44 N ATOM 507 CA VAL A 32 1.429 6.430 -13.606 1.00 54.01 C ATOM 508 C VAL A 32 0.639 7.131 -12.507 1.00 12.33 C ATOM 509 O VAL A 32 0.993 8.232 -12.080 1.00 51.20 O ATOM 510 CB VAL A 32 2.359 5.382 -12.966 1.00 30.13 C ATOM 511 CG1 VAL A 32 1.548 4.232 -12.387 1.00 44.51 C ATOM 512 CG2 VAL A 32 3.369 4.874 -13.984 1.00 51.40 C ATOM 0 H VAL A 32 2.972 7.814 -13.924 1.00 73.44 H new ATOM 0 HA VAL A 32 0.738 5.927 -14.282 1.00 54.01 H new ATOM 0 HB VAL A 32 2.906 5.856 -12.151 1.00 30.13 H new ATOM 0 HG11 VAL A 32 2.221 3.501 -11.939 1.00 44.51 H new ATOM 0 HG12 VAL A 32 0.868 4.614 -11.625 1.00 44.51 H new ATOM 0 HG13 VAL A 32 0.973 3.756 -13.181 1.00 44.51 H new ATOM 0 HG21 VAL A 32 4.018 4.134 -13.515 1.00 51.40 H new ATOM 0 HG22 VAL A 32 2.843 4.416 -14.821 1.00 51.40 H new ATOM 0 HG23 VAL A 32 3.971 5.707 -14.346 1.00 51.40 H new ATOM 522 N ILE A 33 -0.431 6.489 -12.052 1.00 10.02 N ATOM 523 CA ILE A 33 -1.271 7.051 -11.002 1.00 63.33 C ATOM 524 C ILE A 33 -1.744 5.968 -10.038 1.00 51.24 C ATOM 525 O ILE A 33 -2.187 4.898 -10.458 1.00 2.32 O ATOM 526 CB ILE A 33 -2.497 7.774 -11.587 1.00 53.21 C ATOM 527 CG1 ILE A 33 -2.066 9.041 -12.328 1.00 60.23 C ATOM 528 CG2 ILE A 33 -3.489 8.111 -10.484 1.00 52.33 C ATOM 529 CD1 ILE A 33 -3.202 9.744 -13.036 1.00 44.11 C ATOM 0 H ILE A 33 -0.737 5.578 -12.394 1.00 10.02 H new ATOM 0 HA ILE A 33 -0.659 7.773 -10.461 1.00 63.33 H new ATOM 0 HB ILE A 33 -2.986 7.109 -12.299 1.00 53.21 H new ATOM 0 HG12 ILE A 33 -1.610 9.730 -11.617 1.00 60.23 H new ATOM 0 HG13 ILE A 33 -1.299 8.782 -13.058 1.00 60.23 H new ATOM 0 HG21 ILE A 33 -4.351 8.622 -10.913 1.00 52.33 H new ATOM 0 HG22 ILE A 33 -3.817 7.193 -9.997 1.00 52.33 H new ATOM 0 HG23 ILE A 33 -3.011 8.760 -9.750 1.00 52.33 H new ATOM 0 HD11 ILE A 33 -2.822 10.633 -13.539 1.00 44.11 H new ATOM 0 HD12 ILE A 33 -3.644 9.072 -13.771 1.00 44.11 H new ATOM 0 HD13 ILE A 33 -3.960 10.035 -12.308 1.00 44.11 H new ATOM 541 N VAL A 34 -1.649 6.252 -8.743 1.00 12.53 N ATOM 542 CA VAL A 34 -2.071 5.305 -7.718 1.00 43.55 C ATOM 543 C VAL A 34 -3.269 5.834 -6.939 1.00 64.41 C ATOM 544 O VAL A 34 -3.546 7.034 -6.946 1.00 21.23 O ATOM 545 CB VAL A 34 -0.927 4.996 -6.734 1.00 53.13 C ATOM 546 CG1 VAL A 34 -0.750 6.140 -5.748 1.00 74.11 C ATOM 547 CG2 VAL A 34 -1.191 3.687 -6.006 1.00 25.34 C ATOM 0 H VAL A 34 -1.283 7.132 -8.379 1.00 12.53 H new ATOM 0 HA VAL A 34 -2.355 4.387 -8.233 1.00 43.55 H new ATOM 0 HB VAL A 34 -0.001 4.889 -7.299 1.00 53.13 H new ATOM 0 HG11 VAL A 34 0.062 5.905 -5.060 1.00 74.11 H new ATOM 0 HG12 VAL A 34 -0.513 7.055 -6.291 1.00 74.11 H new ATOM 0 HG13 VAL A 34 -1.673 6.281 -5.185 1.00 74.11 H new ATOM 0 HG21 VAL A 34 -0.373 3.484 -5.315 1.00 25.34 H new ATOM 0 HG22 VAL A 34 -2.126 3.762 -5.450 1.00 25.34 H new ATOM 0 HG23 VAL A 34 -1.264 2.876 -6.731 1.00 25.34 H new ATOM 557 N ILE A 35 -3.977 4.933 -6.268 1.00 61.54 N ATOM 558 CA ILE A 35 -5.145 5.309 -5.482 1.00 22.45 C ATOM 559 C ILE A 35 -5.010 4.842 -4.037 1.00 65.45 C ATOM 560 O ILE A 35 -4.715 3.675 -3.777 1.00 43.44 O ATOM 561 CB ILE A 35 -6.438 4.726 -6.080 1.00 14.11 C ATOM 562 CG1 ILE A 35 -6.491 4.983 -7.587 1.00 2.05 C ATOM 563 CG2 ILE A 35 -7.657 5.323 -5.391 1.00 42.34 C ATOM 564 CD1 ILE A 35 -5.874 3.876 -8.411 1.00 75.35 C ATOM 0 H ILE A 35 -3.762 3.936 -6.253 1.00 61.54 H new ATOM 0 HA ILE A 35 -5.203 6.397 -5.505 1.00 22.45 H new ATOM 0 HB ILE A 35 -6.443 3.649 -5.915 1.00 14.11 H new ATOM 0 HG12 ILE A 35 -7.530 5.113 -7.889 1.00 2.05 H new ATOM 0 HG13 ILE A 35 -5.976 5.918 -7.806 1.00 2.05 H new ATOM 0 HG21 ILE A 35 -8.563 4.901 -5.825 1.00 42.34 H new ATOM 0 HG22 ILE A 35 -7.623 5.092 -4.326 1.00 42.34 H new ATOM 0 HG23 ILE A 35 -7.659 6.404 -5.528 1.00 42.34 H new ATOM 0 HD11 ILE A 35 -5.947 4.126 -9.469 1.00 75.35 H new ATOM 0 HD12 ILE A 35 -4.825 3.760 -8.137 1.00 75.35 H new ATOM 0 HD13 ILE A 35 -6.404 2.943 -8.221 1.00 75.35 H new ATOM 576 N ALA A 36 -5.228 5.759 -3.100 1.00 74.53 N ATOM 577 CA ALA A 36 -5.136 5.438 -1.681 1.00 63.12 C ATOM 578 C ALA A 36 -6.293 4.548 -1.242 1.00 44.40 C ATOM 579 O ALA A 36 -7.436 4.998 -1.153 1.00 35.54 O ATOM 580 CB ALA A 36 -5.104 6.714 -0.854 1.00 2.13 C ATOM 0 H ALA A 36 -5.470 6.730 -3.298 1.00 74.53 H new ATOM 0 HA ALA A 36 -4.209 4.888 -1.517 1.00 63.12 H new ATOM 0 HB1 ALA A 36 -5.035 6.460 0.204 1.00 2.13 H new ATOM 0 HB2 ALA A 36 -4.239 7.312 -1.141 1.00 2.13 H new ATOM 0 HB3 ALA A 36 -6.015 7.286 -1.032 1.00 2.13 H new ATOM 586 N LYS A 37 -5.991 3.283 -0.967 1.00 43.31 N ATOM 587 CA LYS A 37 -7.006 2.330 -0.536 1.00 41.23 C ATOM 588 C LYS A 37 -7.820 2.890 0.625 1.00 5.21 C ATOM 589 O LYS A 37 -9.020 2.638 0.733 1.00 3.44 O ATOM 590 CB LYS A 37 -6.351 1.009 -0.126 1.00 23.34 C ATOM 591 CG LYS A 37 -5.653 0.295 -1.268 1.00 40.02 C ATOM 592 CD LYS A 37 -5.508 -1.193 -0.992 1.00 14.14 C ATOM 593 CE LYS A 37 -4.051 -1.585 -0.798 1.00 23.13 C ATOM 594 NZ LYS A 37 -3.910 -2.785 0.071 1.00 72.51 N ATOM 0 H LYS A 37 -5.050 2.894 -1.035 1.00 43.31 H new ATOM 0 HA LYS A 37 -7.680 2.150 -1.373 1.00 41.23 H new ATOM 0 HB2 LYS A 37 -5.628 1.203 0.666 1.00 23.34 H new ATOM 0 HB3 LYS A 37 -7.112 0.350 0.292 1.00 23.34 H new ATOM 0 HG2 LYS A 37 -6.218 0.442 -2.189 1.00 40.02 H new ATOM 0 HG3 LYS A 37 -4.668 0.734 -1.425 1.00 40.02 H new ATOM 0 HD2 LYS A 37 -6.078 -1.456 -0.101 1.00 14.14 H new ATOM 0 HD3 LYS A 37 -5.931 -1.761 -1.821 1.00 14.14 H new ATOM 0 HE2 LYS A 37 -3.596 -1.784 -1.768 1.00 23.13 H new ATOM 0 HE3 LYS A 37 -3.506 -0.751 -0.356 1.00 23.13 H new ATOM 0 HZ1 LYS A 37 -3.346 -2.541 0.910 1.00 72.51 H new ATOM 0 HZ2 LYS A 37 -4.852 -3.110 0.369 1.00 72.51 H new ATOM 0 HZ3 LYS A 37 -3.433 -3.543 -0.458 1.00 72.51 H new ATOM 608 N TRP A 38 -7.161 3.649 1.492 1.00 1.32 N ATOM 609 CA TRP A 38 -7.824 4.247 2.646 1.00 51.52 C ATOM 610 C TRP A 38 -7.192 5.586 3.005 1.00 50.43 C ATOM 611 O TRP A 38 -6.380 6.123 2.249 1.00 61.43 O ATOM 612 CB TRP A 38 -7.758 3.299 3.843 1.00 22.03 C ATOM 613 CG TRP A 38 -7.309 1.915 3.483 1.00 3.03 C ATOM 614 CD1 TRP A 38 -6.030 1.436 3.509 1.00 73.24 C ATOM 615 CD2 TRP A 38 -8.137 0.834 3.043 1.00 52.54 C ATOM 616 NE1 TRP A 38 -6.014 0.122 3.109 1.00 74.42 N ATOM 617 CE2 TRP A 38 -7.295 -0.273 2.820 1.00 40.51 C ATOM 618 CE3 TRP A 38 -9.508 0.691 2.817 1.00 14.15 C ATOM 619 CZ2 TRP A 38 -7.780 -1.501 2.380 1.00 42.13 C ATOM 620 CZ3 TRP A 38 -9.989 -0.529 2.380 1.00 22.43 C ATOM 621 CH2 TRP A 38 -9.127 -1.612 2.167 1.00 3.13 C ATOM 0 H TRP A 38 -6.167 3.866 1.418 1.00 1.32 H new ATOM 0 HA TRP A 38 -8.868 4.420 2.385 1.00 51.52 H new ATOM 0 HB2 TRP A 38 -7.077 3.712 4.587 1.00 22.03 H new ATOM 0 HB3 TRP A 38 -8.742 3.244 4.308 1.00 22.03 H new ATOM 0 HD1 TRP A 38 -5.160 2.006 3.801 1.00 73.24 H new ATOM 0 HE1 TRP A 38 -5.183 -0.465 3.038 1.00 74.42 H new ATOM 0 HE3 TRP A 38 -10.181 1.520 2.981 1.00 14.15 H new ATOM 0 HZ2 TRP A 38 -7.117 -2.337 2.213 1.00 42.13 H new ATOM 0 HZ3 TRP A 38 -11.047 -0.649 2.200 1.00 22.43 H new ATOM 0 HH2 TRP A 38 -9.534 -2.553 1.828 1.00 3.13 H new ATOM 632 N ASP A 39 -7.569 6.122 4.160 1.00 44.21 N ATOM 633 CA ASP A 39 -7.036 7.400 4.620 1.00 52.44 C ATOM 634 C ASP A 39 -6.011 7.194 5.730 1.00 22.21 C ATOM 635 O ASP A 39 -6.349 6.747 6.826 1.00 13.05 O ATOM 636 CB ASP A 39 -8.169 8.299 5.115 1.00 2.45 C ATOM 637 CG ASP A 39 -9.531 7.653 4.961 1.00 31.23 C ATOM 638 OD1 ASP A 39 -9.795 6.652 5.659 1.00 53.11 O ATOM 639 OD2 ASP A 39 -10.333 8.150 4.142 1.00 75.22 O ATOM 0 H ASP A 39 -8.241 5.692 4.795 1.00 44.21 H new ATOM 0 HA ASP A 39 -6.540 7.883 3.778 1.00 52.44 H new ATOM 0 HB2 ASP A 39 -8.003 8.543 6.164 1.00 2.45 H new ATOM 0 HB3 ASP A 39 -8.151 9.238 4.562 1.00 2.45 H new ATOM 645 N TYR A 40 -4.756 7.520 5.439 1.00 51.14 N ATOM 646 CA TYR A 40 -3.682 7.367 6.412 1.00 44.21 C ATOM 647 C TYR A 40 -3.017 8.708 6.704 1.00 25.00 C ATOM 648 O TYR A 40 -2.795 9.517 5.801 1.00 53.04 O ATOM 649 CB TYR A 40 -2.640 6.370 5.899 1.00 11.35 C ATOM 650 CG TYR A 40 -1.960 5.587 6.999 1.00 72.24 C ATOM 651 CD1 TYR A 40 -2.704 4.903 7.954 1.00 51.21 C ATOM 652 CD2 TYR A 40 -0.574 5.529 7.085 1.00 52.11 C ATOM 653 CE1 TYR A 40 -2.087 4.186 8.959 1.00 30.04 C ATOM 654 CE2 TYR A 40 0.051 4.813 8.086 1.00 41.31 C ATOM 655 CZ TYR A 40 -0.710 4.144 9.022 1.00 60.32 C ATOM 656 OH TYR A 40 -0.090 3.431 10.023 1.00 33.11 O ATOM 0 H TYR A 40 -4.458 7.892 4.537 1.00 51.14 H new ATOM 0 HA TYR A 40 -4.115 6.987 7.337 1.00 44.21 H new ATOM 0 HB2 TYR A 40 -3.122 5.673 5.213 1.00 11.35 H new ATOM 0 HB3 TYR A 40 -1.884 6.909 5.327 1.00 11.35 H new ATOM 0 HD1 TYR A 40 -3.783 4.933 7.909 1.00 51.21 H new ATOM 0 HD2 TYR A 40 0.025 6.054 6.355 1.00 52.11 H new ATOM 0 HE1 TYR A 40 -2.680 3.660 9.693 1.00 30.04 H new ATOM 0 HE2 TYR A 40 1.129 4.777 8.136 1.00 41.31 H new ATOM 0 HH TYR A 40 0.882 3.503 9.922 1.00 33.11 H new ATOM 666 N THR A 41 -2.700 8.940 7.974 1.00 21.03 N ATOM 667 CA THR A 41 -2.062 10.183 8.388 1.00 13.11 C ATOM 668 C THR A 41 -0.552 10.014 8.504 1.00 70.44 C ATOM 669 O THR A 41 -0.068 9.154 9.240 1.00 11.13 O ATOM 670 CB THR A 41 -2.616 10.678 9.739 1.00 51.45 C ATOM 671 OG1 THR A 41 -4.036 10.496 9.780 1.00 21.54 O ATOM 672 CG2 THR A 41 -2.280 12.145 9.957 1.00 73.34 C ATOM 0 H THR A 41 -2.875 8.283 8.734 1.00 21.03 H new ATOM 0 HA THR A 41 -2.285 10.923 7.619 1.00 13.11 H new ATOM 0 HB THR A 41 -2.152 10.095 10.534 1.00 51.45 H new ATOM 0 HG1 THR A 41 -4.381 10.811 10.641 1.00 21.54 H new ATOM 0 HG21 THR A 41 -2.681 12.471 10.916 1.00 73.34 H new ATOM 0 HG22 THR A 41 -1.198 12.275 9.953 1.00 73.34 H new ATOM 0 HG23 THR A 41 -2.720 12.742 9.158 1.00 73.34 H new ATOM 680 N ALA A 42 0.190 10.840 7.772 1.00 72.11 N ATOM 681 CA ALA A 42 1.646 10.781 7.795 1.00 2.24 C ATOM 682 C ALA A 42 2.179 10.927 9.217 1.00 41.44 C ATOM 683 O ALA A 42 1.722 11.779 9.976 1.00 20.42 O ATOM 684 CB ALA A 42 2.232 11.863 6.898 1.00 35.04 C ATOM 0 H ALA A 42 -0.194 11.557 7.156 1.00 72.11 H new ATOM 0 HA ALA A 42 1.951 9.805 7.418 1.00 2.24 H new ATOM 0 HB1 ALA A 42 3.320 11.808 6.924 1.00 35.04 H new ATOM 0 HB2 ALA A 42 1.886 11.715 5.875 1.00 35.04 H new ATOM 0 HB3 ALA A 42 1.910 12.843 7.251 1.00 35.04 H new ATOM 690 N GLN A 43 3.147 10.086 9.569 1.00 1.43 N ATOM 691 CA GLN A 43 3.740 10.120 10.900 1.00 24.42 C ATOM 692 C GLN A 43 5.139 10.728 10.858 1.00 31.21 C ATOM 693 O GLN A 43 5.611 11.289 11.846 1.00 63.14 O ATOM 694 CB GLN A 43 3.802 8.711 11.490 1.00 40.04 C ATOM 695 CG GLN A 43 4.280 7.658 10.502 1.00 11.43 C ATOM 696 CD GLN A 43 3.136 6.969 9.785 1.00 11.23 C ATOM 697 OE1 GLN A 43 1.999 6.973 10.257 1.00 43.41 O ATOM 698 NE2 GLN A 43 3.431 6.372 8.636 1.00 72.11 N ATOM 0 H GLN A 43 3.536 9.374 8.951 1.00 1.43 H new ATOM 0 HA GLN A 43 3.111 10.745 11.534 1.00 24.42 H new ATOM 0 HB2 GLN A 43 4.468 8.716 12.353 1.00 40.04 H new ATOM 0 HB3 GLN A 43 2.812 8.434 11.853 1.00 40.04 H new ATOM 0 HG2 GLN A 43 4.935 8.126 9.767 1.00 11.43 H new ATOM 0 HG3 GLN A 43 4.874 6.913 11.030 1.00 11.43 H new ATOM 0 HE21 GLN A 43 4.387 6.393 8.281 1.00 72.11 H new ATOM 0 HE22 GLN A 43 2.702 5.892 8.108 1.00 72.11 H new ATOM 707 N GLN A 44 5.793 10.612 9.708 1.00 3.42 N ATOM 708 CA GLN A 44 7.139 11.150 9.538 1.00 0.41 C ATOM 709 C GLN A 44 7.099 12.501 8.834 1.00 2.40 C ATOM 710 O GLN A 44 6.028 13.011 8.505 1.00 43.05 O ATOM 711 CB GLN A 44 8.005 10.172 8.742 1.00 65.55 C ATOM 712 CG GLN A 44 8.084 8.786 9.361 1.00 1.34 C ATOM 713 CD GLN A 44 9.297 8.614 10.254 1.00 34.11 C ATOM 714 OE1 GLN A 44 10.408 9.005 9.894 1.00 0.13 O ATOM 715 NE2 GLN A 44 9.091 8.027 11.427 1.00 72.52 N ATOM 0 H GLN A 44 5.415 10.151 8.880 1.00 3.42 H new ATOM 0 HA GLN A 44 7.576 11.289 10.527 1.00 0.41 H new ATOM 0 HB2 GLN A 44 7.607 10.087 7.731 1.00 65.55 H new ATOM 0 HB3 GLN A 44 9.012 10.580 8.655 1.00 65.55 H new ATOM 0 HG2 GLN A 44 7.181 8.600 9.942 1.00 1.34 H new ATOM 0 HG3 GLN A 44 8.113 8.039 8.568 1.00 1.34 H new ATOM 0 HE21 GLN A 44 8.154 7.718 11.685 1.00 72.52 H new ATOM 0 HE22 GLN A 44 9.870 7.885 12.070 1.00 72.52 H new ATOM 724 N ASP A 45 8.274 13.079 8.605 1.00 53.43 N ATOM 725 CA ASP A 45 8.374 14.372 7.938 1.00 70.43 C ATOM 726 C ASP A 45 8.517 14.197 6.429 1.00 64.52 C ATOM 727 O ASP A 45 8.204 15.103 5.658 1.00 42.21 O ATOM 728 CB ASP A 45 9.563 15.162 8.487 1.00 23.00 C ATOM 729 CG ASP A 45 10.873 14.769 7.830 1.00 55.13 C ATOM 730 OD1 ASP A 45 11.350 15.526 6.959 1.00 11.44 O ATOM 731 OD2 ASP A 45 11.420 13.705 8.187 1.00 34.15 O ATOM 0 H ASP A 45 9.170 12.672 8.872 1.00 53.43 H new ATOM 0 HA ASP A 45 7.456 14.926 8.135 1.00 70.43 H new ATOM 0 HB2 ASP A 45 9.389 16.227 8.335 1.00 23.00 H new ATOM 0 HB3 ASP A 45 9.637 15.001 9.563 1.00 23.00 H new ATOM 737 N GLN A 46 8.993 13.026 6.017 1.00 53.11 N ATOM 738 CA GLN A 46 9.179 12.732 4.601 1.00 3.42 C ATOM 739 C GLN A 46 7.902 12.162 3.991 1.00 60.40 C ATOM 740 O GLN A 46 7.686 12.257 2.784 1.00 75.10 O ATOM 741 CB GLN A 46 10.334 11.749 4.409 1.00 62.24 C ATOM 742 CG GLN A 46 11.600 12.145 5.153 1.00 12.34 C ATOM 743 CD GLN A 46 12.849 11.977 4.308 1.00 34.24 C ATOM 744 OE1 GLN A 46 12.907 11.116 3.431 1.00 61.41 O ATOM 745 NE2 GLN A 46 13.856 12.800 4.571 1.00 24.22 N ATOM 0 H GLN A 46 9.257 12.266 6.644 1.00 53.11 H new ATOM 0 HA GLN A 46 9.418 13.665 4.091 1.00 3.42 H new ATOM 0 HB2 GLN A 46 10.019 10.761 4.745 1.00 62.24 H new ATOM 0 HB3 GLN A 46 10.558 11.668 3.345 1.00 62.24 H new ATOM 0 HG2 GLN A 46 11.519 13.184 5.473 1.00 12.34 H new ATOM 0 HG3 GLN A 46 11.692 11.540 6.055 1.00 12.34 H new ATOM 0 HE21 GLN A 46 13.764 13.499 5.308 1.00 24.22 H new ATOM 0 HE22 GLN A 46 14.722 12.733 4.036 1.00 24.22 H new ATOM 754 N GLU A 47 7.064 11.567 4.835 1.00 4.33 N ATOM 755 CA GLU A 47 5.810 10.981 4.376 1.00 64.44 C ATOM 756 C GLU A 47 4.722 12.044 4.258 1.00 32.31 C ATOM 757 O GLU A 47 4.891 13.174 4.716 1.00 43.13 O ATOM 758 CB GLU A 47 5.358 9.877 5.336 1.00 15.11 C ATOM 759 CG GLU A 47 6.439 8.855 5.642 1.00 41.21 C ATOM 760 CD GLU A 47 6.080 7.956 6.810 1.00 1.31 C ATOM 761 OE1 GLU A 47 5.072 8.242 7.488 1.00 55.15 O ATOM 762 OE2 GLU A 47 6.806 6.969 7.043 1.00 62.14 O ATOM 0 H GLU A 47 7.230 11.478 5.837 1.00 4.33 H new ATOM 0 HA GLU A 47 5.979 10.550 3.389 1.00 64.44 H new ATOM 0 HB2 GLU A 47 5.026 10.332 6.269 1.00 15.11 H new ATOM 0 HB3 GLU A 47 4.497 9.365 4.907 1.00 15.11 H new ATOM 0 HG2 GLU A 47 6.615 8.242 4.758 1.00 41.21 H new ATOM 0 HG3 GLU A 47 7.372 9.374 5.861 1.00 41.21 H new ATOM 769 N LEU A 48 3.607 11.673 3.639 1.00 53.24 N ATOM 770 CA LEU A 48 2.490 12.595 3.459 1.00 50.04 C ATOM 771 C LEU A 48 1.172 11.938 3.856 1.00 73.22 C ATOM 772 O LEU A 48 1.094 10.717 4.000 1.00 21.10 O ATOM 773 CB LEU A 48 2.421 13.064 2.005 1.00 63.03 C ATOM 774 CG LEU A 48 2.600 14.566 1.775 1.00 72.21 C ATOM 775 CD1 LEU A 48 2.807 14.858 0.297 1.00 63.22 C ATOM 776 CD2 LEU A 48 1.400 15.334 2.309 1.00 51.34 C ATOM 0 H LEU A 48 3.452 10.742 3.253 1.00 53.24 H new ATOM 0 HA LEU A 48 2.654 13.457 4.106 1.00 50.04 H new ATOM 0 HB2 LEU A 48 3.187 12.536 1.437 1.00 63.03 H new ATOM 0 HB3 LEU A 48 1.457 12.766 1.593 1.00 63.03 H new ATOM 0 HG LEU A 48 3.487 14.894 2.317 1.00 72.21 H new ATOM 0 HD11 LEU A 48 2.933 15.931 0.152 1.00 63.22 H new ATOM 0 HD12 LEU A 48 3.698 14.338 -0.055 1.00 63.22 H new ATOM 0 HD13 LEU A 48 1.939 14.515 -0.267 1.00 63.22 H new ATOM 0 HD21 LEU A 48 1.545 16.401 2.137 1.00 51.34 H new ATOM 0 HD22 LEU A 48 0.498 15.003 1.795 1.00 51.34 H new ATOM 0 HD23 LEU A 48 1.297 15.150 3.378 1.00 51.34 H new ATOM 788 N ASP A 49 0.138 12.754 4.029 1.00 62.22 N ATOM 789 CA ASP A 49 -1.178 12.252 4.406 1.00 64.34 C ATOM 790 C ASP A 49 -2.027 11.971 3.171 1.00 62.50 C ATOM 791 O ASP A 49 -2.168 12.826 2.295 1.00 74.41 O ATOM 792 CB ASP A 49 -1.890 13.258 5.313 1.00 71.44 C ATOM 793 CG ASP A 49 -3.083 12.651 6.025 1.00 54.31 C ATOM 794 OD1 ASP A 49 -3.820 11.869 5.388 1.00 43.32 O ATOM 795 OD2 ASP A 49 -3.280 12.959 7.219 1.00 52.45 O ATOM 0 H ASP A 49 0.186 13.766 3.914 1.00 62.22 H new ATOM 0 HA ASP A 49 -1.041 11.317 4.950 1.00 64.34 H new ATOM 0 HB2 ASP A 49 -1.185 13.640 6.052 1.00 71.44 H new ATOM 0 HB3 ASP A 49 -2.220 14.109 4.718 1.00 71.44 H new ATOM 801 N ILE A 50 -2.588 10.768 3.107 1.00 42.44 N ATOM 802 CA ILE A 50 -3.423 10.375 1.977 1.00 32.33 C ATOM 803 C ILE A 50 -4.854 10.095 2.423 1.00 64.52 C ATOM 804 O ILE A 50 -5.089 9.630 3.540 1.00 3.31 O ATOM 805 CB ILE A 50 -2.863 9.126 1.272 1.00 1.43 C ATOM 806 CG1 ILE A 50 -2.443 8.075 2.301 1.00 10.21 C ATOM 807 CG2 ILE A 50 -1.687 9.502 0.383 1.00 13.25 C ATOM 808 CD1 ILE A 50 -2.459 6.662 1.764 1.00 43.24 C ATOM 0 H ILE A 50 -2.480 10.049 3.823 1.00 42.44 H new ATOM 0 HA ILE A 50 -3.420 11.210 1.276 1.00 32.33 H new ATOM 0 HB ILE A 50 -3.647 8.700 0.646 1.00 1.43 H new ATOM 0 HG12 ILE A 50 -1.440 8.308 2.657 1.00 10.21 H new ATOM 0 HG13 ILE A 50 -3.109 8.135 3.162 1.00 10.21 H new ATOM 0 HG21 ILE A 50 -1.302 8.608 -0.108 1.00 13.25 H new ATOM 0 HG22 ILE A 50 -2.015 10.218 -0.371 1.00 13.25 H new ATOM 0 HG23 ILE A 50 -0.900 9.949 0.990 1.00 13.25 H new ATOM 0 HD11 ILE A 50 -2.150 5.971 2.548 1.00 43.24 H new ATOM 0 HD12 ILE A 50 -3.467 6.410 1.434 1.00 43.24 H new ATOM 0 HD13 ILE A 50 -1.772 6.585 0.922 1.00 43.24 H new ATOM 820 N LYS A 51 -5.809 10.378 1.544 1.00 24.12 N ATOM 821 CA LYS A 51 -7.217 10.153 1.845 1.00 14.24 C ATOM 822 C LYS A 51 -7.770 8.991 1.026 1.00 0.33 C ATOM 823 O LYS A 51 -7.150 8.551 0.057 1.00 1.31 O ATOM 824 CB LYS A 51 -8.028 11.420 1.562 1.00 23.23 C ATOM 825 CG LYS A 51 -8.875 11.875 2.739 1.00 71.01 C ATOM 826 CD LYS A 51 -8.586 13.320 3.109 1.00 23.00 C ATOM 827 CE LYS A 51 -9.236 14.287 2.133 1.00 74.33 C ATOM 828 NZ LYS A 51 -8.860 15.699 2.414 1.00 25.35 N ATOM 0 H LYS A 51 -5.633 10.764 0.616 1.00 24.12 H new ATOM 0 HA LYS A 51 -7.301 9.902 2.902 1.00 14.24 H new ATOM 0 HB2 LYS A 51 -7.346 12.223 1.284 1.00 23.23 H new ATOM 0 HB3 LYS A 51 -8.677 11.242 0.705 1.00 23.23 H new ATOM 0 HG2 LYS A 51 -9.931 11.766 2.492 1.00 71.01 H new ATOM 0 HG3 LYS A 51 -8.681 11.233 3.598 1.00 71.01 H new ATOM 0 HD2 LYS A 51 -8.951 13.518 4.117 1.00 23.00 H new ATOM 0 HD3 LYS A 51 -7.509 13.485 3.122 1.00 23.00 H new ATOM 0 HE2 LYS A 51 -8.941 14.029 1.116 1.00 74.33 H new ATOM 0 HE3 LYS A 51 -10.320 14.183 2.187 1.00 74.33 H new ATOM 0 HZ1 LYS A 51 -9.324 16.325 1.726 1.00 25.35 H new ATOM 0 HZ2 LYS A 51 -9.164 15.955 3.375 1.00 25.35 H new ATOM 0 HZ3 LYS A 51 -7.828 15.805 2.338 1.00 25.35 H new ATOM 842 N LYS A 52 -8.939 8.499 1.420 1.00 54.02 N ATOM 843 CA LYS A 52 -9.577 7.390 0.722 1.00 74.04 C ATOM 844 C LYS A 52 -10.005 7.805 -0.682 1.00 71.10 C ATOM 845 O LYS A 52 -10.488 8.916 -0.891 1.00 74.10 O ATOM 846 CB LYS A 52 -10.792 6.895 1.510 1.00 62.31 C ATOM 847 CG LYS A 52 -11.867 7.951 1.700 1.00 64.15 C ATOM 848 CD LYS A 52 -12.908 7.511 2.713 1.00 73.10 C ATOM 849 CE LYS A 52 -14.042 6.743 2.050 1.00 12.43 C ATOM 850 NZ LYS A 52 -15.377 7.246 2.477 1.00 24.30 N ATOM 0 H LYS A 52 -9.464 8.851 2.220 1.00 54.02 H new ATOM 0 HA LYS A 52 -8.851 6.581 0.638 1.00 74.04 H new ATOM 0 HB2 LYS A 52 -11.224 6.038 0.994 1.00 62.31 H new ATOM 0 HB3 LYS A 52 -10.462 6.545 2.488 1.00 62.31 H new ATOM 0 HG2 LYS A 52 -11.408 8.883 2.030 1.00 64.15 H new ATOM 0 HG3 LYS A 52 -12.351 8.155 0.745 1.00 64.15 H new ATOM 0 HD2 LYS A 52 -12.438 6.885 3.471 1.00 73.10 H new ATOM 0 HD3 LYS A 52 -13.310 8.385 3.226 1.00 73.10 H new ATOM 0 HE2 LYS A 52 -13.952 6.826 0.967 1.00 12.43 H new ATOM 0 HE3 LYS A 52 -13.957 5.685 2.297 1.00 12.43 H new ATOM 0 HZ1 LYS A 52 -16.123 6.697 2.003 1.00 24.30 H new ATOM 0 HZ2 LYS A 52 -15.473 7.144 3.507 1.00 24.30 H new ATOM 0 HZ3 LYS A 52 -15.469 8.249 2.219 1.00 24.30 H new ATOM 864 N ASN A 53 -9.825 6.903 -1.643 1.00 20.22 N ATOM 865 CA ASN A 53 -10.193 7.176 -3.027 1.00 62.13 C ATOM 866 C ASN A 53 -9.368 8.327 -3.593 1.00 25.23 C ATOM 867 O ASN A 53 -9.720 8.911 -4.616 1.00 31.24 O ATOM 868 CB ASN A 53 -11.684 7.506 -3.124 1.00 41.01 C ATOM 869 CG ASN A 53 -12.171 7.561 -4.558 1.00 52.24 C ATOM 870 OD1 ASN A 53 -11.927 6.646 -5.344 1.00 70.11 O ATOM 871 ND2 ASN A 53 -12.864 8.639 -4.908 1.00 25.24 N ATOM 0 H ASN A 53 -9.426 5.977 -1.488 1.00 20.22 H new ATOM 0 HA ASN A 53 -9.986 6.282 -3.615 1.00 62.13 H new ATOM 0 HB2 ASN A 53 -12.256 6.756 -2.577 1.00 41.01 H new ATOM 0 HB3 ASN A 53 -11.873 8.465 -2.642 1.00 41.01 H new ATOM 0 HD21 ASN A 53 -13.217 8.731 -5.861 1.00 25.24 H new ATOM 0 HD22 ASN A 53 -13.043 9.374 -4.224 1.00 25.24 H new ATOM 878 N GLU A 54 -8.266 8.646 -2.919 1.00 34.54 N ATOM 879 CA GLU A 54 -7.391 9.728 -3.354 1.00 53.24 C ATOM 880 C GLU A 54 -6.403 9.237 -4.410 1.00 10.03 C ATOM 881 O GLU A 54 -5.721 8.231 -4.215 1.00 74.52 O ATOM 882 CB GLU A 54 -6.632 10.312 -2.162 1.00 21.11 C ATOM 883 CG GLU A 54 -5.822 11.550 -2.503 1.00 1.25 C ATOM 884 CD GLU A 54 -6.632 12.828 -2.384 1.00 24.54 C ATOM 885 OE1 GLU A 54 -7.175 13.085 -1.288 1.00 25.20 O ATOM 886 OE2 GLU A 54 -6.722 13.569 -3.384 1.00 14.34 O ATOM 0 H GLU A 54 -7.959 8.170 -2.070 1.00 34.54 H new ATOM 0 HA GLU A 54 -8.012 10.507 -3.796 1.00 53.24 H new ATOM 0 HB2 GLU A 54 -7.344 10.560 -1.375 1.00 21.11 H new ATOM 0 HB3 GLU A 54 -5.964 9.551 -1.759 1.00 21.11 H new ATOM 0 HG2 GLU A 54 -4.958 11.609 -1.841 1.00 1.25 H new ATOM 0 HG3 GLU A 54 -5.439 11.460 -3.519 1.00 1.25 H new ATOM 893 N ARG A 55 -6.333 9.954 -5.525 1.00 14.52 N ATOM 894 CA ARG A 55 -5.431 9.592 -6.612 1.00 24.40 C ATOM 895 C ARG A 55 -4.278 10.586 -6.716 1.00 1.40 C ATOM 896 O ARG A 55 -4.441 11.774 -6.433 1.00 63.40 O ATOM 897 CB ARG A 55 -6.192 9.536 -7.938 1.00 24.22 C ATOM 898 CG ARG A 55 -7.217 10.646 -8.099 1.00 63.21 C ATOM 899 CD ARG A 55 -8.595 10.203 -7.635 1.00 11.33 C ATOM 900 NE ARG A 55 -9.639 10.571 -8.589 1.00 72.14 N ATOM 901 CZ ARG A 55 -9.768 10.014 -9.788 1.00 40.34 C ATOM 902 NH1 ARG A 55 -8.922 9.069 -10.178 1.00 34.03 N ATOM 903 NH2 ARG A 55 -10.743 10.401 -10.600 1.00 31.43 N ATOM 0 H ARG A 55 -6.890 10.790 -5.700 1.00 14.52 H new ATOM 0 HA ARG A 55 -5.019 8.606 -6.396 1.00 24.40 H new ATOM 0 HB2 ARG A 55 -5.478 9.591 -8.760 1.00 24.22 H new ATOM 0 HB3 ARG A 55 -6.696 8.573 -8.017 1.00 24.22 H new ATOM 0 HG2 ARG A 55 -6.902 11.519 -7.527 1.00 63.21 H new ATOM 0 HG3 ARG A 55 -7.264 10.950 -9.145 1.00 63.21 H new ATOM 0 HD2 ARG A 55 -8.599 9.122 -7.492 1.00 11.33 H new ATOM 0 HD3 ARG A 55 -8.814 10.653 -6.667 1.00 11.33 H new ATOM 0 HE ARG A 55 -10.305 11.295 -8.320 1.00 72.14 H new ATOM 0 HH11 ARG A 55 -8.171 8.769 -9.557 1.00 34.03 H new ATOM 0 HH12 ARG A 55 -9.023 8.643 -11.099 1.00 34.03 H new ATOM 0 HH21 ARG A 55 -11.395 11.127 -10.304 1.00 31.43 H new ATOM 0 HH22 ARG A 55 -10.841 9.972 -11.520 1.00 31.43 H new ATOM 917 N LEU A 56 -3.114 10.094 -7.124 1.00 23.20 N ATOM 918 CA LEU A 56 -1.933 10.938 -7.265 1.00 54.51 C ATOM 919 C LEU A 56 -1.055 10.457 -8.415 1.00 1.23 C ATOM 920 O LEU A 56 -1.357 9.456 -9.063 1.00 1.41 O ATOM 921 CB LEU A 56 -1.129 10.947 -5.963 1.00 34.14 C ATOM 922 CG LEU A 56 -1.408 12.109 -5.009 1.00 12.52 C ATOM 923 CD1 LEU A 56 -2.641 11.823 -4.165 1.00 5.31 C ATOM 924 CD2 LEU A 56 -0.201 12.374 -4.122 1.00 60.21 C ATOM 0 H LEU A 56 -2.962 9.114 -7.363 1.00 23.20 H new ATOM 0 HA LEU A 56 -2.266 11.952 -7.486 1.00 54.51 H new ATOM 0 HB2 LEU A 56 -1.323 10.014 -5.434 1.00 34.14 H new ATOM 0 HB3 LEU A 56 -0.068 10.956 -6.215 1.00 34.14 H new ATOM 0 HG LEU A 56 -1.599 13.003 -5.603 1.00 12.52 H new ATOM 0 HD11 LEU A 56 -2.824 12.661 -3.492 1.00 5.31 H new ATOM 0 HD12 LEU A 56 -3.504 11.686 -4.816 1.00 5.31 H new ATOM 0 HD13 LEU A 56 -2.480 10.917 -3.581 1.00 5.31 H new ATOM 0 HD21 LEU A 56 -0.419 13.204 -3.450 1.00 60.21 H new ATOM 0 HD22 LEU A 56 0.023 11.482 -3.536 1.00 60.21 H new ATOM 0 HD23 LEU A 56 0.659 12.626 -4.743 1.00 60.21 H new ATOM 936 N TRP A 57 0.035 11.177 -8.662 1.00 61.22 N ATOM 937 CA TRP A 57 0.958 10.823 -9.733 1.00 1.23 C ATOM 938 C TRP A 57 2.099 9.962 -9.204 1.00 43.23 C ATOM 939 O TRP A 57 2.936 10.429 -8.430 1.00 0.11 O ATOM 940 CB TRP A 57 1.518 12.085 -10.390 1.00 61.32 C ATOM 941 CG TRP A 57 0.584 12.699 -11.388 1.00 51.41 C ATOM 942 CD1 TRP A 57 0.756 12.760 -12.742 1.00 10.33 C ATOM 943 CD2 TRP A 57 -0.667 13.339 -11.112 1.00 32.21 C ATOM 944 NE1 TRP A 57 -0.313 13.400 -13.324 1.00 64.04 N ATOM 945 CE2 TRP A 57 -1.199 13.764 -12.345 1.00 35.10 C ATOM 946 CE3 TRP A 57 -1.389 13.592 -9.944 1.00 0.14 C ATOM 947 CZ2 TRP A 57 -2.419 14.429 -12.439 1.00 71.22 C ATOM 948 CZ3 TRP A 57 -2.600 14.253 -10.038 1.00 3.32 C ATOM 949 CH2 TRP A 57 -3.106 14.664 -11.279 1.00 2.33 C ATOM 0 H TRP A 57 0.300 12.009 -8.135 1.00 61.22 H new ATOM 0 HA TRP A 57 0.408 10.248 -10.478 1.00 1.23 H new ATOM 0 HB2 TRP A 57 1.745 12.819 -9.616 1.00 61.32 H new ATOM 0 HB3 TRP A 57 2.458 11.842 -10.885 1.00 61.32 H new ATOM 0 HD1 TRP A 57 1.607 12.364 -13.277 1.00 10.33 H new ATOM 0 HE1 TRP A 57 -0.427 13.575 -14.322 1.00 64.04 H new ATOM 0 HE3 TRP A 57 -1.008 13.277 -8.984 1.00 0.14 H new ATOM 0 HZ2 TRP A 57 -2.809 14.748 -13.394 1.00 71.22 H new ATOM 0 HZ3 TRP A 57 -3.165 14.456 -9.140 1.00 3.32 H new ATOM 0 HH2 TRP A 57 -4.056 15.176 -11.320 1.00 2.33 H new ATOM 960 N LEU A 58 2.130 8.702 -9.626 1.00 35.51 N ATOM 961 CA LEU A 58 3.170 7.775 -9.194 1.00 51.22 C ATOM 962 C LEU A 58 4.532 8.194 -9.738 1.00 23.23 C ATOM 963 O LEU A 58 4.708 8.354 -10.947 1.00 44.01 O ATOM 964 CB LEU A 58 2.838 6.355 -9.656 1.00 43.31 C ATOM 965 CG LEU A 58 2.555 5.338 -8.550 1.00 43.51 C ATOM 966 CD1 LEU A 58 2.343 3.953 -9.139 1.00 4.22 C ATOM 967 CD2 LEU A 58 3.691 5.321 -7.537 1.00 23.44 C ATOM 0 H LEU A 58 1.446 8.299 -10.267 1.00 35.51 H new ATOM 0 HA LEU A 58 3.212 7.796 -8.105 1.00 51.22 H new ATOM 0 HB2 LEU A 58 1.968 6.402 -10.310 1.00 43.31 H new ATOM 0 HB3 LEU A 58 3.669 5.986 -10.257 1.00 43.31 H new ATOM 0 HG LEU A 58 1.641 5.635 -8.036 1.00 43.51 H new ATOM 0 HD11 LEU A 58 2.143 3.243 -8.336 1.00 4.22 H new ATOM 0 HD12 LEU A 58 1.495 3.975 -9.824 1.00 4.22 H new ATOM 0 HD13 LEU A 58 3.239 3.647 -9.680 1.00 4.22 H new ATOM 0 HD21 LEU A 58 3.472 4.591 -6.757 1.00 23.44 H new ATOM 0 HD22 LEU A 58 4.621 5.050 -8.037 1.00 23.44 H new ATOM 0 HD23 LEU A 58 3.795 6.310 -7.090 1.00 23.44 H new ATOM 979 N LEU A 59 5.494 8.368 -8.839 1.00 23.44 N ATOM 980 CA LEU A 59 6.842 8.767 -9.229 1.00 25.23 C ATOM 981 C LEU A 59 7.775 7.560 -9.272 1.00 10.43 C ATOM 982 O LEU A 59 8.190 7.123 -10.346 1.00 20.22 O ATOM 983 CB LEU A 59 7.388 9.812 -8.253 1.00 72.04 C ATOM 984 CG LEU A 59 6.540 11.072 -8.075 1.00 54.33 C ATOM 985 CD1 LEU A 59 7.256 12.077 -7.187 1.00 41.11 C ATOM 986 CD2 LEU A 59 6.212 11.689 -9.428 1.00 4.25 C ATOM 0 H LEU A 59 5.366 8.239 -7.835 1.00 23.44 H new ATOM 0 HA LEU A 59 6.792 9.202 -10.227 1.00 25.23 H new ATOM 0 HB2 LEU A 59 7.511 9.340 -7.278 1.00 72.04 H new ATOM 0 HB3 LEU A 59 8.381 10.111 -8.590 1.00 72.04 H new ATOM 0 HG LEU A 59 5.605 10.792 -7.589 1.00 54.33 H new ATOM 0 HD11 LEU A 59 6.637 12.967 -7.072 1.00 41.11 H new ATOM 0 HD12 LEU A 59 7.438 11.633 -6.208 1.00 41.11 H new ATOM 0 HD13 LEU A 59 8.207 12.353 -7.643 1.00 41.11 H new ATOM 0 HD21 LEU A 59 5.608 12.585 -9.283 1.00 4.25 H new ATOM 0 HD22 LEU A 59 7.137 11.954 -9.941 1.00 4.25 H new ATOM 0 HD23 LEU A 59 5.656 10.970 -10.030 1.00 4.25 H new ATOM 998 N ASP A 60 8.100 7.027 -8.099 1.00 32.20 N ATOM 999 CA ASP A 60 8.980 5.868 -8.004 1.00 2.45 C ATOM 1000 C ASP A 60 8.422 4.841 -7.024 1.00 41.42 C ATOM 1001 O ASP A 60 8.393 5.074 -5.815 1.00 11.33 O ATOM 1002 CB ASP A 60 10.381 6.300 -7.567 1.00 52.43 C ATOM 1003 CG ASP A 60 11.409 6.130 -8.669 1.00 51.35 C ATOM 1004 OD1 ASP A 60 11.163 6.619 -9.792 1.00 44.42 O ATOM 1005 OD2 ASP A 60 12.459 5.507 -8.408 1.00 50.04 O ATOM 0 H ASP A 60 7.767 7.379 -7.201 1.00 32.20 H new ATOM 0 HA ASP A 60 9.041 5.407 -8.990 1.00 2.45 H new ATOM 0 HB2 ASP A 60 10.356 7.344 -7.256 1.00 52.43 H new ATOM 0 HB3 ASP A 60 10.684 5.716 -6.698 1.00 52.43 H new ATOM 1011 N ASP A 61 7.981 3.706 -7.552 1.00 53.02 N ATOM 1012 CA ASP A 61 7.424 2.642 -6.725 1.00 2.11 C ATOM 1013 C ASP A 61 8.227 1.354 -6.881 1.00 22.21 C ATOM 1014 O ASP A 61 7.819 0.442 -7.601 1.00 62.43 O ATOM 1015 CB ASP A 61 5.960 2.393 -7.091 1.00 3.34 C ATOM 1016 CG ASP A 61 5.688 2.614 -8.566 1.00 0.12 C ATOM 1017 OD1 ASP A 61 5.506 1.613 -9.292 1.00 3.30 O ATOM 1018 OD2 ASP A 61 5.655 3.787 -8.993 1.00 54.52 O ATOM 0 H ASP A 61 7.998 3.498 -8.550 1.00 53.02 H new ATOM 0 HA ASP A 61 7.480 2.960 -5.684 1.00 2.11 H new ATOM 0 HB2 ASP A 61 5.690 1.371 -6.824 1.00 3.34 H new ATOM 0 HB3 ASP A 61 5.324 3.055 -6.504 1.00 3.34 H new ATOM 1024 N SER A 62 9.369 1.288 -6.206 1.00 61.51 N ATOM 1025 CA SER A 62 10.231 0.114 -6.274 1.00 64.04 C ATOM 1026 C SER A 62 10.235 -0.636 -4.946 1.00 21.30 C ATOM 1027 O SER A 62 10.043 -1.852 -4.904 1.00 11.42 O ATOM 1028 CB SER A 62 11.657 0.523 -6.646 1.00 5.41 C ATOM 1029 OG SER A 62 11.980 1.794 -6.107 1.00 4.40 O ATOM 0 H SER A 62 9.719 2.034 -5.605 1.00 61.51 H new ATOM 0 HA SER A 62 9.838 -0.550 -7.044 1.00 64.04 H new ATOM 0 HB2 SER A 62 12.361 -0.222 -6.275 1.00 5.41 H new ATOM 0 HB3 SER A 62 11.760 0.548 -7.731 1.00 5.41 H new ATOM 0 HG SER A 62 12.897 2.032 -6.357 1.00 4.40 H new ATOM 1035 N LYS A 63 10.455 0.098 -3.860 1.00 43.21 N ATOM 1036 CA LYS A 63 10.483 -0.495 -2.528 1.00 41.44 C ATOM 1037 C LYS A 63 9.083 -0.551 -1.928 1.00 33.33 C ATOM 1038 O LYS A 63 8.116 -0.091 -2.536 1.00 2.25 O ATOM 1039 CB LYS A 63 11.411 0.304 -1.611 1.00 12.31 C ATOM 1040 CG LYS A 63 12.863 -0.141 -1.676 1.00 12.41 C ATOM 1041 CD LYS A 63 13.781 0.847 -0.976 1.00 74.11 C ATOM 1042 CE LYS A 63 15.030 0.162 -0.443 1.00 12.25 C ATOM 1043 NZ LYS A 63 14.977 -0.016 1.035 1.00 61.14 N ATOM 0 H LYS A 63 10.617 1.105 -3.876 1.00 43.21 H new ATOM 0 HA LYS A 63 10.861 -1.513 -2.619 1.00 41.44 H new ATOM 0 HB2 LYS A 63 11.351 1.359 -1.878 1.00 12.31 H new ATOM 0 HB3 LYS A 63 11.058 0.214 -0.584 1.00 12.31 H new ATOM 0 HG2 LYS A 63 12.964 -1.123 -1.214 1.00 12.41 H new ATOM 0 HG3 LYS A 63 13.166 -0.246 -2.718 1.00 12.41 H new ATOM 0 HD2 LYS A 63 14.066 1.637 -1.671 1.00 74.11 H new ATOM 0 HD3 LYS A 63 13.246 1.323 -0.154 1.00 74.11 H new ATOM 0 HE2 LYS A 63 15.143 -0.810 -0.922 1.00 12.25 H new ATOM 0 HE3 LYS A 63 15.908 0.752 -0.707 1.00 12.25 H new ATOM 0 HZ1 LYS A 63 15.846 -0.486 1.359 1.00 61.14 H new ATOM 0 HZ2 LYS A 63 14.894 0.914 1.494 1.00 61.14 H new ATOM 0 HZ3 LYS A 63 14.153 -0.600 1.285 1.00 61.14 H new ATOM 1057 N THR A 64 8.978 -1.115 -0.730 1.00 64.52 N ATOM 1058 CA THR A 64 7.696 -1.231 -0.047 1.00 43.42 C ATOM 1059 C THR A 64 6.933 0.088 -0.084 1.00 31.32 C ATOM 1060 O THR A 64 5.716 0.106 -0.270 1.00 12.34 O ATOM 1061 CB THR A 64 7.879 -1.664 1.421 1.00 15.45 C ATOM 1062 OG1 THR A 64 6.703 -1.345 2.174 1.00 5.32 O ATOM 1063 CG2 THR A 64 9.086 -0.980 2.041 1.00 52.03 C ATOM 0 H THR A 64 9.767 -1.500 -0.211 1.00 64.52 H new ATOM 0 HA THR A 64 7.124 -1.994 -0.575 1.00 43.42 H new ATOM 0 HB THR A 64 8.043 -2.741 1.442 1.00 15.45 H new ATOM 0 HG1 THR A 64 5.912 -1.681 1.703 1.00 5.32 H new ATOM 0 HG21 THR A 64 9.194 -1.302 3.077 1.00 52.03 H new ATOM 0 HG22 THR A 64 9.983 -1.248 1.482 1.00 52.03 H new ATOM 0 HG23 THR A 64 8.948 0.101 2.009 1.00 52.03 H new ATOM 1071 N TRP A 65 7.655 1.189 0.092 1.00 64.32 N ATOM 1072 CA TRP A 65 7.043 2.514 0.078 1.00 51.24 C ATOM 1073 C TRP A 65 7.135 3.139 -1.311 1.00 71.52 C ATOM 1074 O TRP A 65 8.162 3.039 -1.979 1.00 4.33 O ATOM 1075 CB TRP A 65 7.722 3.421 1.104 1.00 24.44 C ATOM 1076 CG TRP A 65 7.216 3.219 2.501 1.00 31.31 C ATOM 1077 CD1 TRP A 65 7.368 2.104 3.275 1.00 73.25 C ATOM 1078 CD2 TRP A 65 6.475 4.159 3.288 1.00 74.53 C ATOM 1079 NE1 TRP A 65 6.767 2.293 4.495 1.00 23.54 N ATOM 1080 CE2 TRP A 65 6.211 3.545 4.529 1.00 64.55 C ATOM 1081 CE3 TRP A 65 6.009 5.457 3.066 1.00 61.51 C ATOM 1082 CZ2 TRP A 65 5.502 4.188 5.542 1.00 41.35 C ATOM 1083 CZ3 TRP A 65 5.306 6.093 4.071 1.00 71.01 C ATOM 1084 CH2 TRP A 65 5.059 5.459 5.297 1.00 41.54 C ATOM 0 H TRP A 65 8.663 1.191 0.246 1.00 64.32 H new ATOM 0 HA TRP A 65 5.990 2.406 0.339 1.00 51.24 H new ATOM 0 HB2 TRP A 65 8.797 3.239 1.084 1.00 24.44 H new ATOM 0 HB3 TRP A 65 7.569 4.461 0.817 1.00 24.44 H new ATOM 0 HD1 TRP A 65 7.885 1.206 2.972 1.00 73.25 H new ATOM 0 HE1 TRP A 65 6.739 1.612 5.253 1.00 23.54 H new ATOM 0 HE3 TRP A 65 6.195 5.954 2.126 1.00 61.51 H new ATOM 0 HZ2 TRP A 65 5.309 3.701 6.486 1.00 41.35 H new ATOM 0 HZ3 TRP A 65 4.940 7.096 3.909 1.00 71.01 H new ATOM 0 HH2 TRP A 65 4.508 5.984 6.063 1.00 41.54 H new ATOM 1095 N TRP A 66 6.054 3.782 -1.736 1.00 13.34 N ATOM 1096 CA TRP A 66 6.013 4.424 -3.044 1.00 2.33 C ATOM 1097 C TRP A 66 5.948 5.941 -2.906 1.00 64.00 C ATOM 1098 O TRP A 66 5.449 6.461 -1.908 1.00 71.20 O ATOM 1099 CB TRP A 66 4.809 3.922 -3.844 1.00 60.14 C ATOM 1100 CG TRP A 66 4.827 2.442 -4.075 1.00 53.44 C ATOM 1101 CD1 TRP A 66 5.863 1.585 -3.834 1.00 21.33 C ATOM 1102 CD2 TRP A 66 3.759 1.644 -4.598 1.00 72.13 C ATOM 1103 NE1 TRP A 66 5.503 0.303 -4.173 1.00 0.31 N ATOM 1104 CE2 TRP A 66 4.217 0.312 -4.644 1.00 45.34 C ATOM 1105 CE3 TRP A 66 2.458 1.924 -5.030 1.00 61.42 C ATOM 1106 CZ2 TRP A 66 3.422 -0.734 -5.105 1.00 54.41 C ATOM 1107 CZ3 TRP A 66 1.670 0.884 -5.486 1.00 4.43 C ATOM 1108 CH2 TRP A 66 2.153 -0.430 -5.522 1.00 31.40 C ATOM 0 H TRP A 66 5.195 3.873 -1.194 1.00 13.34 H new ATOM 0 HA TRP A 66 6.929 4.165 -3.575 1.00 2.33 H new ATOM 0 HB2 TRP A 66 3.894 4.189 -3.316 1.00 60.14 H new ATOM 0 HB3 TRP A 66 4.782 4.433 -4.807 1.00 60.14 H new ATOM 0 HD1 TRP A 66 6.825 1.873 -3.435 1.00 21.33 H new ATOM 0 HE1 TRP A 66 6.097 -0.522 -4.088 1.00 0.31 H new ATOM 0 HE3 TRP A 66 2.077 2.934 -5.008 1.00 61.42 H new ATOM 0 HZ2 TRP A 66 3.792 -1.748 -5.133 1.00 54.41 H new ATOM 0 HZ3 TRP A 66 0.664 1.088 -5.821 1.00 4.43 H new ATOM 0 HH2 TRP A 66 1.512 -1.220 -5.886 1.00 31.40 H new ATOM 1119 N ARG A 67 6.457 6.646 -3.911 1.00 11.00 N ATOM 1120 CA ARG A 67 6.458 8.103 -3.900 1.00 12.03 C ATOM 1121 C ARG A 67 5.571 8.657 -5.010 1.00 35.00 C ATOM 1122 O ARG A 67 5.754 8.334 -6.183 1.00 53.41 O ATOM 1123 CB ARG A 67 7.884 8.635 -4.058 1.00 51.10 C ATOM 1124 CG ARG A 67 7.947 10.116 -4.395 1.00 22.22 C ATOM 1125 CD ARG A 67 9.244 10.744 -3.904 1.00 74.40 C ATOM 1126 NE ARG A 67 10.417 10.013 -4.372 1.00 74.53 N ATOM 1127 CZ ARG A 67 11.660 10.468 -4.259 1.00 70.12 C ATOM 1128 NH1 ARG A 67 11.889 11.647 -3.698 1.00 13.33 N ATOM 1129 NH2 ARG A 67 12.676 9.743 -4.709 1.00 23.12 N ATOM 0 H ARG A 67 6.874 6.231 -4.744 1.00 11.00 H new ATOM 0 HA ARG A 67 6.058 8.433 -2.941 1.00 12.03 H new ATOM 0 HB2 ARG A 67 8.434 8.458 -3.134 1.00 51.10 H new ATOM 0 HB3 ARG A 67 8.389 8.071 -4.842 1.00 51.10 H new ATOM 0 HG2 ARG A 67 7.862 10.249 -5.474 1.00 22.22 H new ATOM 0 HG3 ARG A 67 7.099 10.630 -3.943 1.00 22.22 H new ATOM 0 HD2 ARG A 67 9.300 11.777 -4.248 1.00 74.40 H new ATOM 0 HD3 ARG A 67 9.244 10.770 -2.814 1.00 74.40 H new ATOM 0 HE ARG A 67 10.275 9.103 -4.810 1.00 74.53 H new ATOM 0 HH11 ARG A 67 11.110 12.207 -3.352 1.00 13.33 H new ATOM 0 HH12 ARG A 67 12.844 11.994 -3.612 1.00 13.33 H new ATOM 0 HH21 ARG A 67 12.503 8.836 -5.142 1.00 23.12 H new ATOM 0 HH22 ARG A 67 13.630 10.093 -4.622 1.00 23.12 H new ATOM 1143 N VAL A 68 4.607 9.491 -4.631 1.00 23.51 N ATOM 1144 CA VAL A 68 3.692 10.090 -5.594 1.00 14.22 C ATOM 1145 C VAL A 68 3.640 11.605 -5.435 1.00 5.35 C ATOM 1146 O VAL A 68 4.228 12.163 -4.507 1.00 52.21 O ATOM 1147 CB VAL A 68 2.268 9.521 -5.445 1.00 23.44 C ATOM 1148 CG1 VAL A 68 2.260 8.024 -5.713 1.00 44.43 C ATOM 1149 CG2 VAL A 68 1.716 9.824 -4.060 1.00 2.21 C ATOM 0 H VAL A 68 4.440 9.767 -3.663 1.00 23.51 H new ATOM 0 HA VAL A 68 4.072 9.844 -6.586 1.00 14.22 H new ATOM 0 HB VAL A 68 1.625 10.002 -6.182 1.00 23.44 H new ATOM 0 HG11 VAL A 68 1.246 7.640 -5.603 1.00 44.43 H new ATOM 0 HG12 VAL A 68 2.612 7.834 -6.727 1.00 44.43 H new ATOM 0 HG13 VAL A 68 2.917 7.523 -5.001 1.00 44.43 H new ATOM 0 HG21 VAL A 68 0.709 9.415 -3.972 1.00 2.21 H new ATOM 0 HG22 VAL A 68 2.359 9.371 -3.305 1.00 2.21 H new ATOM 0 HG23 VAL A 68 1.684 10.903 -3.909 1.00 2.21 H new ATOM 1159 N ARG A 69 2.934 12.267 -6.346 1.00 75.01 N ATOM 1160 CA ARG A 69 2.806 13.719 -6.308 1.00 52.12 C ATOM 1161 C ARG A 69 1.347 14.132 -6.142 1.00 53.02 C ATOM 1162 O ARG A 69 0.450 13.531 -6.734 1.00 23.13 O ATOM 1163 CB ARG A 69 3.381 14.337 -7.584 1.00 70.50 C ATOM 1164 CG ARG A 69 3.357 15.857 -7.588 1.00 43.33 C ATOM 1165 CD ARG A 69 2.644 16.399 -8.817 1.00 3.22 C ATOM 1166 NE ARG A 69 3.056 17.764 -9.131 1.00 31.32 N ATOM 1167 CZ ARG A 69 2.732 18.390 -10.257 1.00 1.31 C ATOM 1168 NH1 ARG A 69 1.995 17.775 -11.172 1.00 71.42 N ATOM 1169 NH2 ARG A 69 3.145 19.632 -10.470 1.00 11.53 N ATOM 0 H ARG A 69 2.442 11.821 -7.120 1.00 75.01 H new ATOM 0 HA ARG A 69 3.369 14.086 -5.450 1.00 52.12 H new ATOM 0 HB2 ARG A 69 4.409 13.998 -7.711 1.00 70.50 H new ATOM 0 HB3 ARG A 69 2.817 13.971 -8.442 1.00 70.50 H new ATOM 0 HG2 ARG A 69 2.858 16.217 -6.688 1.00 43.33 H new ATOM 0 HG3 ARG A 69 4.378 16.238 -7.560 1.00 43.33 H new ATOM 0 HD2 ARG A 69 2.850 15.753 -9.670 1.00 3.22 H new ATOM 0 HD3 ARG A 69 1.567 16.374 -8.652 1.00 3.22 H new ATOM 0 HE ARG A 69 3.624 18.265 -8.448 1.00 31.32 H new ATOM 0 HH11 ARG A 69 1.676 16.820 -11.012 1.00 71.42 H new ATOM 0 HH12 ARG A 69 1.747 18.257 -12.036 1.00 71.42 H new ATOM 0 HH21 ARG A 69 3.712 20.108 -9.769 1.00 11.53 H new ATOM 0 HH22 ARG A 69 2.895 20.111 -11.335 1.00 11.53 H new ATOM 1183 N ASN A 70 1.116 15.161 -5.333 1.00 45.12 N ATOM 1184 CA ASN A 70 -0.234 15.654 -5.089 1.00 4.14 C ATOM 1185 C ASN A 70 -0.655 16.646 -6.170 1.00 63.31 C ATOM 1186 O ASN A 70 0.166 17.096 -6.967 1.00 42.34 O ATOM 1187 CB ASN A 70 -0.316 16.317 -3.713 1.00 3.15 C ATOM 1188 CG ASN A 70 -1.743 16.628 -3.305 1.00 31.04 C ATOM 1189 OD1 ASN A 70 -2.590 15.737 -3.240 1.00 15.35 O ATOM 1190 ND2 ASN A 70 -2.016 17.899 -3.027 1.00 71.04 N ATOM 0 H ASN A 70 1.847 15.670 -4.835 1.00 45.12 H new ATOM 0 HA ASN A 70 -0.915 14.803 -5.116 1.00 4.14 H new ATOM 0 HB2 ASN A 70 0.137 15.661 -2.969 1.00 3.15 H new ATOM 0 HB3 ASN A 70 0.266 17.239 -3.722 1.00 3.15 H new ATOM 0 HD21 ASN A 70 -2.959 18.169 -2.747 1.00 71.04 H new ATOM 0 HD22 ASN A 70 -1.283 18.605 -3.094 1.00 71.04 H new ATOM 1197 N ALA A 71 -1.941 16.981 -6.189 1.00 72.50 N ATOM 1198 CA ALA A 71 -2.472 17.921 -7.168 1.00 51.14 C ATOM 1199 C ALA A 71 -2.001 19.343 -6.877 1.00 71.43 C ATOM 1200 O ALA A 71 -2.039 20.210 -7.748 1.00 64.23 O ATOM 1201 CB ALA A 71 -3.991 17.860 -7.190 1.00 1.13 C ATOM 0 H ALA A 71 -2.635 16.615 -5.537 1.00 72.50 H new ATOM 0 HA ALA A 71 -2.094 17.635 -8.150 1.00 51.14 H new ATOM 0 HB1 ALA A 71 -4.373 18.568 -7.926 1.00 1.13 H new ATOM 0 HB2 ALA A 71 -4.311 16.852 -7.455 1.00 1.13 H new ATOM 0 HB3 ALA A 71 -4.380 18.116 -6.204 1.00 1.13 H new ATOM 1207 N ALA A 72 -1.559 19.573 -5.644 1.00 41.33 N ATOM 1208 CA ALA A 72 -1.081 20.888 -5.239 1.00 22.45 C ATOM 1209 C ALA A 72 0.433 20.994 -5.393 1.00 54.42 C ATOM 1210 O ALA A 72 1.079 21.805 -4.732 1.00 60.02 O ATOM 1211 CB ALA A 72 -1.487 21.178 -3.801 1.00 21.01 C ATOM 0 H ALA A 72 -1.523 18.866 -4.910 1.00 41.33 H new ATOM 0 HA ALA A 72 -1.540 21.630 -5.892 1.00 22.45 H new ATOM 0 HB1 ALA A 72 -1.123 22.164 -3.512 1.00 21.01 H new ATOM 0 HB2 ALA A 72 -2.574 21.153 -3.718 1.00 21.01 H new ATOM 0 HB3 ALA A 72 -1.056 20.424 -3.142 1.00 21.01 H new ATOM 1217 N ASN A 73 0.993 20.167 -6.271 1.00 41.20 N ATOM 1218 CA ASN A 73 2.431 20.166 -6.511 1.00 3.43 C ATOM 1219 C ASN A 73 3.189 19.682 -5.279 1.00 54.43 C ATOM 1220 O ASN A 73 4.379 19.949 -5.125 1.00 22.32 O ATOM 1221 CB ASN A 73 2.904 21.571 -6.893 1.00 44.23 C ATOM 1222 CG ASN A 73 1.855 22.345 -7.668 1.00 53.23 C ATOM 1223 OD1 ASN A 73 1.527 23.480 -7.325 1.00 61.30 O ATOM 1224 ND2 ASN A 73 1.324 21.731 -8.719 1.00 1.13 N ATOM 0 H ASN A 73 0.472 19.489 -6.828 1.00 41.20 H new ATOM 0 HA ASN A 73 2.636 19.482 -7.334 1.00 3.43 H new ATOM 0 HB2 ASN A 73 3.164 22.122 -5.989 1.00 44.23 H new ATOM 0 HB3 ASN A 73 3.812 21.495 -7.492 1.00 44.23 H new ATOM 0 HD21 ASN A 73 0.613 22.201 -9.279 1.00 1.13 H new ATOM 0 HD22 ASN A 73 1.627 20.789 -8.966 1.00 1.13 H new ATOM 1231 N ARG A 74 2.489 18.965 -4.405 1.00 53.11 N ATOM 1232 CA ARG A 74 3.094 18.441 -3.187 1.00 32.13 C ATOM 1233 C ARG A 74 3.765 17.095 -3.447 1.00 12.24 C ATOM 1234 O ARG A 74 3.400 16.377 -4.379 1.00 25.44 O ATOM 1235 CB ARG A 74 2.038 18.292 -2.090 1.00 30.24 C ATOM 1236 CG ARG A 74 2.612 18.326 -0.683 1.00 34.31 C ATOM 1237 CD ARG A 74 3.240 19.674 -0.370 1.00 4.14 C ATOM 1238 NE ARG A 74 2.731 20.240 0.876 1.00 21.55 N ATOM 1239 CZ ARG A 74 3.033 21.460 1.308 1.00 21.42 C ATOM 1240 NH1 ARG A 74 3.839 22.236 0.599 1.00 52.12 N ATOM 1241 NH2 ARG A 74 2.529 21.903 2.454 1.00 44.34 N ATOM 0 H ARG A 74 1.502 18.734 -4.518 1.00 53.11 H new ATOM 0 HA ARG A 74 3.854 19.149 -2.857 1.00 32.13 H new ATOM 0 HB2 ARG A 74 1.304 19.091 -2.193 1.00 30.24 H new ATOM 0 HB3 ARG A 74 1.507 17.351 -2.234 1.00 30.24 H new ATOM 0 HG2 ARG A 74 1.823 18.115 0.038 1.00 34.31 H new ATOM 0 HG3 ARG A 74 3.360 17.541 -0.575 1.00 34.31 H new ATOM 0 HD2 ARG A 74 4.322 19.562 -0.302 1.00 4.14 H new ATOM 0 HD3 ARG A 74 3.042 20.365 -1.189 1.00 4.14 H new ATOM 0 HE ARG A 74 2.109 19.667 1.447 1.00 21.55 H new ATOM 0 HH11 ARG A 74 4.229 21.898 -0.281 1.00 52.12 H new ATOM 0 HH12 ARG A 74 4.069 23.172 0.933 1.00 52.12 H new ATOM 0 HH21 ARG A 74 1.910 21.307 3.003 1.00 44.34 H new ATOM 0 HH22 ARG A 74 2.761 22.839 2.785 1.00 44.34 H new ATOM 1255 N THR A 75 4.750 16.761 -2.619 1.00 52.24 N ATOM 1256 CA THR A 75 5.473 15.504 -2.760 1.00 52.13 C ATOM 1257 C THR A 75 5.684 14.836 -1.407 1.00 33.21 C ATOM 1258 O THR A 75 5.992 15.499 -0.417 1.00 43.02 O ATOM 1259 CB THR A 75 6.841 15.717 -3.435 1.00 44.24 C ATOM 1260 OG1 THR A 75 7.272 17.069 -3.253 1.00 10.52 O ATOM 1261 CG2 THR A 75 6.770 15.395 -4.919 1.00 42.31 C ATOM 0 H THR A 75 5.065 17.344 -1.844 1.00 52.24 H new ATOM 0 HA THR A 75 4.862 14.856 -3.389 1.00 52.13 H new ATOM 0 HB THR A 75 7.559 15.042 -2.969 1.00 44.24 H new ATOM 0 HG1 THR A 75 8.143 17.195 -3.684 1.00 10.52 H new ATOM 0 HG21 THR A 75 7.748 15.553 -5.373 1.00 42.31 H new ATOM 0 HG22 THR A 75 6.472 14.355 -5.052 1.00 42.31 H new ATOM 0 HG23 THR A 75 6.038 16.046 -5.398 1.00 42.31 H new ATOM 1269 N GLY A 76 5.516 13.517 -1.371 1.00 2.05 N ATOM 1270 CA GLY A 76 5.693 12.781 -0.132 1.00 1.20 C ATOM 1271 C GLY A 76 5.674 11.280 -0.343 1.00 33.23 C ATOM 1272 O GLY A 76 5.341 10.802 -1.427 1.00 21.21 O ATOM 0 H GLY A 76 5.261 12.946 -2.177 1.00 2.05 H new ATOM 0 HA2 GLY A 76 6.639 13.069 0.326 1.00 1.20 H new ATOM 0 HA3 GLY A 76 4.904 13.057 0.567 1.00 1.20 H new ATOM 1276 N TYR A 77 6.034 10.535 0.696 1.00 60.40 N ATOM 1277 CA TYR A 77 6.062 9.079 0.619 1.00 42.22 C ATOM 1278 C TYR A 77 4.833 8.474 1.290 1.00 73.50 C ATOM 1279 O TYR A 77 4.206 9.100 2.145 1.00 31.43 O ATOM 1280 CB TYR A 77 7.333 8.536 1.274 1.00 54.11 C ATOM 1281 CG TYR A 77 8.606 9.010 0.610 1.00 61.33 C ATOM 1282 CD1 TYR A 77 9.035 8.454 -0.589 1.00 43.45 C ATOM 1283 CD2 TYR A 77 9.380 10.013 1.181 1.00 43.32 C ATOM 1284 CE1 TYR A 77 10.197 8.884 -1.200 1.00 4.35 C ATOM 1285 CE2 TYR A 77 10.543 10.449 0.578 1.00 73.13 C ATOM 1286 CZ TYR A 77 10.948 9.881 -0.613 1.00 31.14 C ATOM 1287 OH TYR A 77 12.107 10.312 -1.217 1.00 2.20 O ATOM 0 H TYR A 77 6.310 10.915 1.601 1.00 60.40 H new ATOM 0 HA TYR A 77 6.055 8.797 -0.434 1.00 42.22 H new ATOM 0 HB2 TYR A 77 7.347 8.834 2.322 1.00 54.11 H new ATOM 0 HB3 TYR A 77 7.306 7.447 1.253 1.00 54.11 H new ATOM 0 HD1 TYR A 77 8.450 7.672 -1.051 1.00 43.45 H new ATOM 0 HD2 TYR A 77 9.066 10.459 2.113 1.00 43.32 H new ATOM 0 HE1 TYR A 77 10.516 8.442 -2.132 1.00 4.35 H new ATOM 0 HE2 TYR A 77 11.132 11.230 1.036 1.00 73.13 H new ATOM 0 HH TYR A 77 12.515 11.019 -0.675 1.00 2.20 H new ATOM 1297 N VAL A 78 4.493 7.250 0.897 1.00 1.43 N ATOM 1298 CA VAL A 78 3.340 6.558 1.462 1.00 10.54 C ATOM 1299 C VAL A 78 3.503 5.047 1.361 1.00 51.34 C ATOM 1300 O VAL A 78 4.123 4.524 0.433 1.00 11.51 O ATOM 1301 CB VAL A 78 2.037 6.971 0.752 1.00 21.32 C ATOM 1302 CG1 VAL A 78 1.603 8.360 1.198 1.00 25.23 C ATOM 1303 CG2 VAL A 78 2.211 6.916 -0.757 1.00 20.11 C ATOM 0 H VAL A 78 5.000 6.717 0.190 1.00 1.43 H new ATOM 0 HA VAL A 78 3.281 6.844 2.512 1.00 10.54 H new ATOM 0 HB VAL A 78 1.254 6.265 1.029 1.00 21.32 H new ATOM 0 HG11 VAL A 78 0.681 8.635 0.686 1.00 25.23 H new ATOM 0 HG12 VAL A 78 1.434 8.360 2.275 1.00 25.23 H new ATOM 0 HG13 VAL A 78 2.383 9.081 0.953 1.00 25.23 H new ATOM 0 HG21 VAL A 78 1.280 7.211 -1.242 1.00 20.11 H new ATOM 0 HG22 VAL A 78 3.008 7.597 -1.056 1.00 20.11 H new ATOM 0 HG23 VAL A 78 2.470 5.900 -1.057 1.00 20.11 H new ATOM 1313 N PRO A 79 2.936 4.323 2.337 1.00 20.45 N ATOM 1314 CA PRO A 79 3.004 2.859 2.381 1.00 55.22 C ATOM 1315 C PRO A 79 2.173 2.207 1.280 1.00 32.35 C ATOM 1316 O PRO A 79 0.969 2.442 1.177 1.00 0.22 O ATOM 1317 CB PRO A 79 2.429 2.518 3.757 1.00 24.13 C ATOM 1318 CG PRO A 79 1.543 3.668 4.094 1.00 22.04 C ATOM 1319 CD PRO A 79 2.182 4.878 3.474 1.00 4.44 C ATOM 0 HA PRO A 79 4.019 2.493 2.226 1.00 55.22 H new ATOM 0 HB2 PRO A 79 1.870 1.582 3.732 1.00 24.13 H new ATOM 0 HB3 PRO A 79 3.220 2.397 4.497 1.00 24.13 H new ATOM 0 HG2 PRO A 79 0.538 3.514 3.702 1.00 22.04 H new ATOM 0 HG3 PRO A 79 1.450 3.786 5.174 1.00 22.04 H new ATOM 0 HD2 PRO A 79 1.436 5.602 3.146 1.00 4.44 H new ATOM 0 HD3 PRO A 79 2.837 5.391 4.178 1.00 4.44 H new ATOM 1327 N SER A 80 2.823 1.387 0.462 1.00 23.11 N ATOM 1328 CA SER A 80 2.145 0.704 -0.633 1.00 15.22 C ATOM 1329 C SER A 80 1.004 -0.164 -0.108 1.00 71.01 C ATOM 1330 O SER A 80 0.101 -0.538 -0.854 1.00 73.31 O ATOM 1331 CB SER A 80 3.135 -0.158 -1.417 1.00 4.31 C ATOM 1332 OG SER A 80 2.468 -0.955 -2.380 1.00 24.12 O ATOM 0 H SER A 80 3.819 1.179 0.537 1.00 23.11 H new ATOM 0 HA SER A 80 1.728 1.461 -1.297 1.00 15.22 H new ATOM 0 HB2 SER A 80 3.865 0.482 -1.913 1.00 4.31 H new ATOM 0 HB3 SER A 80 3.687 -0.799 -0.730 1.00 4.31 H new ATOM 0 HG SER A 80 2.535 -0.529 -3.260 1.00 24.12 H new ATOM 1338 N ASN A 81 1.054 -0.479 1.182 1.00 40.22 N ATOM 1339 CA ASN A 81 0.026 -1.302 1.809 1.00 53.25 C ATOM 1340 C ASN A 81 -1.294 -0.544 1.905 1.00 41.20 C ATOM 1341 O ASN A 81 -2.370 -1.140 1.849 1.00 31.41 O ATOM 1342 CB ASN A 81 0.477 -1.745 3.201 1.00 25.45 C ATOM 1343 CG ASN A 81 1.448 -2.910 3.153 1.00 32.32 C ATOM 1344 OD1 ASN A 81 1.992 -3.234 2.098 1.00 72.05 O ATOM 1345 ND2 ASN A 81 1.667 -3.545 4.298 1.00 21.10 N ATOM 0 H ASN A 81 1.796 -0.177 1.814 1.00 40.22 H new ATOM 0 HA ASN A 81 -0.128 -2.184 1.187 1.00 53.25 H new ATOM 0 HB2 ASN A 81 0.947 -0.905 3.712 1.00 25.45 H new ATOM 0 HB3 ASN A 81 -0.396 -2.028 3.790 1.00 25.45 H new ATOM 0 HD21 ASN A 81 2.309 -4.337 4.327 1.00 21.10 H new ATOM 0 HD22 ASN A 81 1.193 -3.241 5.149 1.00 21.10 H new ATOM 1352 N TYR A 82 -1.203 0.774 2.053 1.00 55.15 N ATOM 1353 CA TYR A 82 -2.391 1.614 2.159 1.00 63.31 C ATOM 1354 C TYR A 82 -2.757 2.213 0.806 1.00 55.31 C ATOM 1355 O TYR A 82 -3.698 3.000 0.696 1.00 72.14 O ATOM 1356 CB TYR A 82 -2.159 2.730 3.179 1.00 53.22 C ATOM 1357 CG TYR A 82 -2.006 2.231 4.598 1.00 1.52 C ATOM 1358 CD1 TYR A 82 -0.831 1.619 5.016 1.00 33.22 C ATOM 1359 CD2 TYR A 82 -3.034 2.375 5.521 1.00 63.31 C ATOM 1360 CE1 TYR A 82 -0.686 1.161 6.312 1.00 55.24 C ATOM 1361 CE2 TYR A 82 -2.897 1.923 6.819 1.00 52.45 C ATOM 1362 CZ TYR A 82 -1.722 1.316 7.209 1.00 73.43 C ATOM 1363 OH TYR A 82 -1.581 0.863 8.501 1.00 13.00 O ATOM 0 H TYR A 82 -0.320 1.283 2.102 1.00 55.15 H new ATOM 0 HA TYR A 82 -3.220 0.990 2.494 1.00 63.31 H new ATOM 0 HB2 TYR A 82 -1.264 3.286 2.900 1.00 53.22 H new ATOM 0 HB3 TYR A 82 -2.994 3.429 3.137 1.00 53.22 H new ATOM 0 HD1 TYR A 82 -0.017 1.499 4.316 1.00 33.22 H new ATOM 0 HD2 TYR A 82 -3.956 2.849 5.219 1.00 63.31 H new ATOM 0 HE1 TYR A 82 0.233 0.685 6.620 1.00 55.24 H new ATOM 0 HE2 TYR A 82 -3.706 2.044 7.524 1.00 52.45 H new ATOM 0 HH TYR A 82 -1.616 -0.116 8.510 1.00 13.00 H new ATOM 1373 N VAL A 83 -2.007 1.835 -0.225 1.00 1.10 N ATOM 1374 CA VAL A 83 -2.252 2.333 -1.572 1.00 11.22 C ATOM 1375 C VAL A 83 -2.489 1.185 -2.548 1.00 4.45 C ATOM 1376 O VAL A 83 -2.119 0.043 -2.280 1.00 24.11 O ATOM 1377 CB VAL A 83 -1.075 3.188 -2.079 1.00 22.14 C ATOM 1378 CG1 VAL A 83 -0.107 2.339 -2.887 1.00 45.02 C ATOM 1379 CG2 VAL A 83 -1.584 4.361 -2.902 1.00 34.31 C ATOM 0 H VAL A 83 -1.224 1.185 -0.152 1.00 1.10 H new ATOM 0 HA VAL A 83 -3.146 2.954 -1.521 1.00 11.22 H new ATOM 0 HB VAL A 83 -0.539 3.585 -1.217 1.00 22.14 H new ATOM 0 HG11 VAL A 83 0.718 2.960 -3.237 1.00 45.02 H new ATOM 0 HG12 VAL A 83 0.283 1.537 -2.261 1.00 45.02 H new ATOM 0 HG13 VAL A 83 -0.627 1.910 -3.744 1.00 45.02 H new ATOM 0 HG21 VAL A 83 -0.739 4.954 -3.252 1.00 34.31 H new ATOM 0 HG22 VAL A 83 -2.145 3.988 -3.759 1.00 34.31 H new ATOM 0 HG23 VAL A 83 -2.233 4.983 -2.286 1.00 34.31 H new ATOM 1389 N GLU A 84 -3.107 1.499 -3.683 1.00 63.22 N ATOM 1390 CA GLU A 84 -3.392 0.491 -4.699 1.00 31.22 C ATOM 1391 C GLU A 84 -3.646 1.144 -6.055 1.00 64.53 C ATOM 1392 O GLU A 84 -4.649 1.830 -6.248 1.00 22.04 O ATOM 1393 CB GLU A 84 -4.604 -0.347 -4.290 1.00 13.30 C ATOM 1394 CG GLU A 84 -5.063 -1.319 -5.365 1.00 65.43 C ATOM 1395 CD GLU A 84 -5.864 -2.477 -4.802 1.00 44.32 C ATOM 1396 OE1 GLU A 84 -7.004 -2.246 -4.351 1.00 63.51 O ATOM 1397 OE2 GLU A 84 -5.349 -3.615 -4.814 1.00 14.34 O ATOM 0 H GLU A 84 -3.419 2.440 -3.922 1.00 63.22 H new ATOM 0 HA GLU A 84 -2.522 -0.159 -4.785 1.00 31.22 H new ATOM 0 HB2 GLU A 84 -4.360 -0.906 -3.387 1.00 13.30 H new ATOM 0 HB3 GLU A 84 -5.429 0.320 -4.039 1.00 13.30 H new ATOM 0 HG2 GLU A 84 -5.669 -0.785 -6.097 1.00 65.43 H new ATOM 0 HG3 GLU A 84 -4.193 -1.707 -5.894 1.00 65.43 H new ATOM 1404 N ARG A 85 -2.727 0.924 -6.991 1.00 55.11 N ATOM 1405 CA ARG A 85 -2.849 1.492 -8.328 1.00 45.10 C ATOM 1406 C ARG A 85 -3.885 0.729 -9.150 1.00 44.03 C ATOM 1407 O ARG A 85 -4.237 -0.404 -8.826 1.00 33.14 O ATOM 1408 CB ARG A 85 -1.496 1.466 -9.041 1.00 1.13 C ATOM 1409 CG ARG A 85 -0.908 0.072 -9.184 1.00 31.41 C ATOM 1410 CD ARG A 85 -1.417 -0.621 -10.438 1.00 45.24 C ATOM 1411 NE ARG A 85 -2.193 -1.818 -10.126 1.00 3.45 N ATOM 1412 CZ ARG A 85 -2.445 -2.781 -11.006 1.00 53.33 C ATOM 1413 NH1 ARG A 85 -1.983 -2.689 -12.245 1.00 31.33 N ATOM 1414 NH2 ARG A 85 -3.160 -3.840 -10.646 1.00 2.00 N ATOM 0 H ARG A 85 -1.891 0.357 -6.848 1.00 55.11 H new ATOM 0 HA ARG A 85 -3.179 2.526 -8.228 1.00 45.10 H new ATOM 0 HB2 ARG A 85 -1.609 1.907 -10.032 1.00 1.13 H new ATOM 0 HB3 ARG A 85 -0.793 2.093 -8.491 1.00 1.13 H new ATOM 0 HG2 ARG A 85 0.180 0.136 -9.219 1.00 31.41 H new ATOM 0 HG3 ARG A 85 -1.164 -0.524 -8.308 1.00 31.41 H new ATOM 0 HD2 ARG A 85 -2.034 0.072 -11.010 1.00 45.24 H new ATOM 0 HD3 ARG A 85 -0.572 -0.892 -11.071 1.00 45.24 H new ATOM 0 HE ARG A 85 -2.562 -1.920 -9.181 1.00 3.45 H new ATOM 0 HH11 ARG A 85 -1.432 -1.877 -12.525 1.00 31.33 H new ATOM 0 HH12 ARG A 85 -2.178 -3.430 -12.918 1.00 31.33 H new ATOM 0 HH21 ARG A 85 -3.516 -3.915 -9.693 1.00 2.00 H new ATOM 0 HH22 ARG A 85 -3.353 -4.579 -11.322 1.00 2.00 H new ATOM 1428 N LYS A 86 -4.366 1.359 -10.217 1.00 51.33 N ATOM 1429 CA LYS A 86 -5.359 0.740 -11.086 1.00 12.42 C ATOM 1430 C LYS A 86 -4.747 -0.408 -11.882 1.00 24.40 C ATOM 1431 O LYS A 86 -5.462 -1.239 -12.443 1.00 75.42 O ATOM 1432 CB LYS A 86 -5.947 1.781 -12.043 1.00 4.25 C ATOM 1433 CG LYS A 86 -7.214 1.317 -12.742 1.00 5.45 C ATOM 1434 CD LYS A 86 -7.085 1.412 -14.253 1.00 25.22 C ATOM 1435 CE LYS A 86 -8.439 1.599 -14.917 1.00 75.41 C ATOM 1436 NZ LYS A 86 -9.292 0.383 -14.788 1.00 33.24 N ATOM 0 H LYS A 86 -4.084 2.297 -10.500 1.00 51.33 H new ATOM 0 HA LYS A 86 -6.155 0.339 -10.459 1.00 12.42 H new ATOM 0 HB2 LYS A 86 -6.162 2.693 -11.487 1.00 4.25 H new ATOM 0 HB3 LYS A 86 -5.199 2.035 -12.795 1.00 4.25 H new ATOM 0 HG2 LYS A 86 -7.430 0.287 -12.459 1.00 5.45 H new ATOM 0 HG3 LYS A 86 -8.057 1.923 -12.409 1.00 5.45 H new ATOM 0 HD2 LYS A 86 -6.433 2.247 -14.512 1.00 25.22 H new ATOM 0 HD3 LYS A 86 -6.612 0.508 -14.636 1.00 25.22 H new ATOM 0 HE2 LYS A 86 -8.950 2.451 -14.467 1.00 75.41 H new ATOM 0 HE3 LYS A 86 -8.297 1.833 -15.972 1.00 75.41 H new ATOM 0 HZ1 LYS A 86 -10.207 0.550 -15.253 1.00 33.24 H new ATOM 0 HZ2 LYS A 86 -8.816 -0.424 -15.239 1.00 33.24 H new ATOM 0 HZ3 LYS A 86 -9.449 0.174 -13.781 1.00 33.24 H new TER 1450 LYS A 86