USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 724 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 34 HIS : no HE2:sc= -0.669 K(o=-0.59,f=-2.5!) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -113:sc= 0.0775 (180deg=0) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.114 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0394 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -152:sc= -0.128 (180deg=-0.766) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.11 X(o=-0.11,f=-0.00087) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.47 K(o=-1.5,f=-5.4!) USER MOD Single : A 16 THR OG1 : rot -160:sc= -0.918 USER MOD Single : A 18 MET CE :methyl -142:sc= -0.515 (180deg=-2.15!) USER MOD Single : A 24 ASN : amide:sc= -3.38 X(o=-3.4,f=-3.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.15) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.7!) USER MOD Single : A 39 TYR OH : rot 30:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 92:sc= 0.631 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot -15:sc= -1.57 USER MOD Single : A 51 HIS : no HD1:sc= -4.31! C(o=-4.3!,f=-4.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.163 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.595 8.056 6.421 1.00 23.90 N ATOM 2 CA MET A 1 16.702 8.445 7.550 1.00 23.65 C ATOM 3 C MET A 1 17.431 8.222 8.876 1.00 22.57 C ATOM 4 O MET A 1 18.239 7.320 9.006 1.00 22.20 O ATOM 5 CB MET A 1 15.434 7.591 7.514 1.00 23.88 C ATOM 6 CG MET A 1 14.371 8.289 6.665 1.00 24.98 C ATOM 7 SD MET A 1 12.816 7.369 6.767 1.00 25.54 S ATOM 8 CE MET A 1 13.366 5.895 5.875 1.00 25.60 C ATOM 0 H1 MET A 1 17.078 7.434 5.768 1.00 23.90 H new ATOM 0 H2 MET A 1 17.905 8.909 5.914 1.00 23.90 H new ATOM 0 H3 MET A 1 18.426 7.553 6.793 1.00 23.90 H new ATOM 0 HA MET A 1 16.433 9.497 7.456 1.00 23.65 H new ATOM 0 HB2 MET A 1 15.657 6.608 7.100 1.00 23.88 H new ATOM 0 HB3 MET A 1 15.060 7.433 8.526 1.00 23.88 H new ATOM 0 HG2 MET A 1 14.225 9.311 7.015 1.00 24.98 H new ATOM 0 HG3 MET A 1 14.702 8.351 5.628 1.00 24.98 H new ATOM 0 HE1 MET A 1 12.505 5.395 5.432 1.00 25.60 H new ATOM 0 HE2 MET A 1 14.062 6.185 5.088 1.00 25.60 H new ATOM 0 HE3 MET A 1 13.864 5.216 6.567 1.00 25.60 H new ATOM 20 N SER A 2 17.150 9.037 9.861 1.00 22.28 N ATOM 21 CA SER A 2 17.820 8.880 11.184 1.00 21.49 C ATOM 22 C SER A 2 16.957 9.521 12.272 1.00 21.26 C ATOM 23 O SER A 2 16.499 10.639 12.135 1.00 21.99 O ATOM 24 CB SER A 2 19.187 9.566 11.148 1.00 21.82 C ATOM 25 OG SER A 2 19.135 10.667 10.250 1.00 22.86 O ATOM 0 H SER A 2 16.483 9.806 9.804 1.00 22.28 H new ATOM 0 HA SER A 2 17.951 7.820 11.401 1.00 21.49 H new ATOM 0 HB2 SER A 2 19.462 9.908 12.146 1.00 21.82 H new ATOM 0 HB3 SER A 2 19.954 8.859 10.831 1.00 21.82 H new ATOM 0 HG SER A 2 20.009 11.110 10.225 1.00 22.86 H new ATOM 31 N LYS A 3 16.734 8.817 13.354 1.00 20.49 N ATOM 32 CA LYS A 3 15.901 9.374 14.458 1.00 20.48 C ATOM 33 C LYS A 3 16.809 9.811 15.611 1.00 19.83 C ATOM 34 O LYS A 3 18.003 9.574 15.594 1.00 19.58 O ATOM 35 CB LYS A 3 14.926 8.304 14.953 1.00 20.45 C ATOM 36 CG LYS A 3 14.017 7.869 13.801 1.00 21.06 C ATOM 37 CD LYS A 3 12.759 8.739 13.786 1.00 22.09 C ATOM 38 CE LYS A 3 11.801 8.271 14.883 1.00 22.58 C ATOM 39 NZ LYS A 3 11.298 6.907 14.554 1.00 22.77 N ATOM 0 H LYS A 3 17.095 7.877 13.518 1.00 20.49 H new ATOM 0 HA LYS A 3 15.340 10.233 14.091 1.00 20.48 H new ATOM 0 HB2 LYS A 3 15.476 7.446 15.340 1.00 20.45 H new ATOM 0 HB3 LYS A 3 14.327 8.695 15.775 1.00 20.45 H new ATOM 0 HG2 LYS A 3 14.546 7.960 12.852 1.00 21.06 H new ATOM 0 HG3 LYS A 3 13.745 6.820 13.915 1.00 21.06 H new ATOM 0 HD2 LYS A 3 13.025 9.784 13.943 1.00 22.09 H new ATOM 0 HD3 LYS A 3 12.272 8.676 12.813 1.00 22.09 H new ATOM 0 HE2 LYS A 3 12.311 8.260 15.846 1.00 22.58 H new ATOM 0 HE3 LYS A 3 10.966 8.966 14.973 1.00 22.58 H new ATOM 0 HZ1 LYS A 3 10.356 6.774 14.974 1.00 22.77 H new ATOM 0 HZ2 LYS A 3 11.235 6.800 13.521 1.00 22.77 H new ATOM 0 HZ3 LYS A 3 11.951 6.194 14.937 1.00 22.77 H new ATOM 53 N ARG A 4 16.250 10.447 16.608 1.00 19.86 N ATOM 54 CA ARG A 4 17.074 10.905 17.767 1.00 19.57 C ATOM 55 C ARG A 4 17.656 9.690 18.493 1.00 18.36 C ATOM 56 O ARG A 4 18.836 9.639 18.783 1.00 18.27 O ATOM 57 CB ARG A 4 16.196 11.704 18.732 1.00 20.36 C ATOM 58 CG ARG A 4 17.048 12.757 19.447 1.00 21.40 C ATOM 59 CD ARG A 4 17.195 13.998 18.560 1.00 22.25 C ATOM 60 NE ARG A 4 18.567 14.027 17.943 1.00 22.36 N ATOM 61 CZ ARG A 4 19.666 13.940 18.663 1.00 22.52 C ATOM 62 NH1 ARG A 4 19.636 14.021 19.972 1.00 22.71 N ATOM 63 NH2 ARG A 4 20.817 13.832 18.058 1.00 22.75 N ATOM 0 H ARG A 4 15.256 10.669 16.670 1.00 19.86 H new ATOM 0 HA ARG A 4 17.887 11.536 17.408 1.00 19.57 H new ATOM 0 HB2 ARG A 4 15.385 12.186 18.187 1.00 20.36 H new ATOM 0 HB3 ARG A 4 15.737 11.036 19.461 1.00 20.36 H new ATOM 0 HG2 ARG A 4 16.585 13.030 20.395 1.00 21.40 H new ATOM 0 HG3 ARG A 4 18.031 12.346 19.679 1.00 21.40 H new ATOM 0 HD2 ARG A 4 16.435 13.989 17.778 1.00 22.25 H new ATOM 0 HD3 ARG A 4 17.033 14.899 19.151 1.00 22.25 H new ATOM 0 HE ARG A 4 18.649 14.117 16.930 1.00 22.36 H new ATOM 0 HH11 ARG A 4 18.747 14.154 20.454 1.00 22.71 H new ATOM 0 HH12 ARG A 4 20.501 13.951 20.507 1.00 22.71 H new ATOM 0 HH21 ARG A 4 20.858 13.816 17.039 1.00 22.75 H new ATOM 0 HH22 ARG A 4 21.676 13.764 18.604 1.00 22.75 H new ATOM 77 N LYS A 5 16.835 8.714 18.787 1.00 17.68 N ATOM 78 CA LYS A 5 17.331 7.497 19.495 1.00 16.75 C ATOM 79 C LYS A 5 16.199 6.469 19.599 1.00 15.70 C ATOM 80 O LYS A 5 15.846 6.022 20.676 1.00 16.04 O ATOM 81 CB LYS A 5 17.811 7.888 20.898 1.00 17.44 C ATOM 82 CG LYS A 5 18.559 6.711 21.527 1.00 17.60 C ATOM 83 CD LYS A 5 18.428 6.778 23.050 1.00 18.66 C ATOM 84 CE LYS A 5 19.219 5.631 23.682 1.00 19.03 C ATOM 85 NZ LYS A 5 18.321 4.459 23.883 1.00 19.30 N ATOM 0 H LYS A 5 15.839 8.708 18.566 1.00 17.68 H new ATOM 0 HA LYS A 5 18.160 7.060 18.939 1.00 16.75 H new ATOM 0 HB2 LYS A 5 18.464 8.759 20.841 1.00 17.44 H new ATOM 0 HB3 LYS A 5 16.961 8.167 21.520 1.00 17.44 H new ATOM 0 HG2 LYS A 5 18.153 5.769 21.158 1.00 17.60 H new ATOM 0 HG3 LYS A 5 19.610 6.739 21.240 1.00 17.60 H new ATOM 0 HD2 LYS A 5 18.800 7.735 23.416 1.00 18.66 H new ATOM 0 HD3 LYS A 5 17.379 6.713 23.339 1.00 18.66 H new ATOM 0 HE2 LYS A 5 20.056 5.355 23.040 1.00 19.03 H new ATOM 0 HE3 LYS A 5 19.640 5.948 24.636 1.00 19.03 H new ATOM 0 HZ1 LYS A 5 18.859 3.679 24.313 1.00 19.30 H new ATOM 0 HZ2 LYS A 5 17.537 4.726 24.512 1.00 19.30 H new ATOM 0 HZ3 LYS A 5 17.940 4.152 22.965 1.00 19.30 H new ATOM 99 N ALA A 6 15.630 6.091 18.483 1.00 14.66 N ATOM 100 CA ALA A 6 14.521 5.092 18.502 1.00 13.81 C ATOM 101 C ALA A 6 15.109 3.675 18.623 1.00 12.65 C ATOM 102 O ALA A 6 16.244 3.457 18.247 1.00 12.32 O ATOM 103 CB ALA A 6 13.715 5.200 17.206 1.00 13.41 C ATOM 0 H ALA A 6 15.887 6.433 17.557 1.00 14.66 H new ATOM 0 HA ALA A 6 13.869 5.289 19.353 1.00 13.81 H new ATOM 0 HB1 ALA A 6 12.905 4.471 17.219 1.00 13.41 H new ATOM 0 HB2 ALA A 6 13.298 6.203 17.119 1.00 13.41 H new ATOM 0 HB3 ALA A 6 14.367 5.003 16.355 1.00 13.41 H new ATOM 109 N PRO A 7 14.328 2.741 19.143 1.00 12.44 N ATOM 110 CA PRO A 7 14.795 1.350 19.304 1.00 11.80 C ATOM 111 C PRO A 7 15.142 0.748 17.938 1.00 10.49 C ATOM 112 O PRO A 7 14.268 0.433 17.152 1.00 10.20 O ATOM 113 CB PRO A 7 13.614 0.604 19.944 1.00 12.22 C ATOM 114 CG PRO A 7 12.457 1.618 20.128 1.00 13.10 C ATOM 115 CD PRO A 7 12.942 2.980 19.610 1.00 13.26 C ATOM 0 HA PRO A 7 15.695 1.283 19.916 1.00 11.80 H new ATOM 0 HB2 PRO A 7 13.298 -0.225 19.311 1.00 12.22 H new ATOM 0 HB3 PRO A 7 13.906 0.179 20.904 1.00 12.22 H new ATOM 0 HG2 PRO A 7 11.573 1.293 19.579 1.00 13.10 H new ATOM 0 HG3 PRO A 7 12.173 1.687 21.178 1.00 13.10 H new ATOM 0 HD2 PRO A 7 12.309 3.342 18.800 1.00 13.26 H new ATOM 0 HD3 PRO A 7 12.915 3.734 20.397 1.00 13.26 H new ATOM 123 N GLN A 8 16.411 0.589 17.656 1.00 10.16 N ATOM 124 CA GLN A 8 16.822 0.007 16.343 1.00 9.38 C ATOM 125 C GLN A 8 16.842 -1.520 16.444 1.00 9.00 C ATOM 126 O GLN A 8 17.890 -2.132 16.556 1.00 9.48 O ATOM 127 CB GLN A 8 18.217 0.520 15.966 1.00 9.88 C ATOM 128 CG GLN A 8 19.194 0.275 17.121 1.00 10.55 C ATOM 129 CD GLN A 8 20.548 -0.172 16.564 1.00 11.29 C ATOM 130 OE1 GLN A 8 21.166 -1.075 17.090 1.00 12.00 O ATOM 131 NE2 GLN A 8 21.037 0.427 15.513 1.00 11.57 N ATOM 0 H GLN A 8 17.180 0.837 18.279 1.00 10.16 H new ATOM 0 HA GLN A 8 16.110 0.308 15.574 1.00 9.38 H new ATOM 0 HB2 GLN A 8 18.569 0.014 15.067 1.00 9.88 H new ATOM 0 HB3 GLN A 8 18.172 1.584 15.736 1.00 9.88 H new ATOM 0 HG2 GLN A 8 19.314 1.185 17.708 1.00 10.55 H new ATOM 0 HG3 GLN A 8 18.796 -0.487 17.792 1.00 10.55 H new ATOM 0 HE21 GLN A 8 20.518 1.186 15.071 1.00 11.57 H new ATOM 0 HE22 GLN A 8 21.938 0.137 15.134 1.00 11.57 H new ATOM 140 N GLU A 9 15.691 -2.140 16.404 1.00 8.62 N ATOM 141 CA GLU A 9 15.629 -3.628 16.497 1.00 8.82 C ATOM 142 C GLU A 9 14.290 -4.124 15.947 1.00 8.25 C ATOM 143 O GLU A 9 14.233 -5.097 15.217 1.00 8.68 O ATOM 144 CB GLU A 9 15.769 -4.056 17.961 1.00 9.95 C ATOM 145 CG GLU A 9 14.725 -3.329 18.810 1.00 10.35 C ATOM 146 CD GLU A 9 15.100 -3.439 20.288 1.00 11.52 C ATOM 147 OE1 GLU A 9 16.208 -3.056 20.627 1.00 11.90 O ATOM 148 OE2 GLU A 9 14.273 -3.903 21.056 1.00 12.30 O ATOM 0 H GLU A 9 14.787 -1.676 16.310 1.00 8.62 H new ATOM 0 HA GLU A 9 16.442 -4.059 15.912 1.00 8.82 H new ATOM 0 HB2 GLU A 9 15.637 -5.134 18.049 1.00 9.95 H new ATOM 0 HB3 GLU A 9 16.771 -3.826 18.323 1.00 9.95 H new ATOM 0 HG2 GLU A 9 14.668 -2.281 18.516 1.00 10.35 H new ATOM 0 HG3 GLU A 9 13.739 -3.762 18.641 1.00 10.35 H new ATOM 155 N THR A 10 13.213 -3.463 16.290 1.00 7.73 N ATOM 156 CA THR A 10 11.873 -3.893 15.790 1.00 7.54 C ATOM 157 C THR A 10 11.785 -3.639 14.284 1.00 6.29 C ATOM 158 O THR A 10 12.180 -2.596 13.796 1.00 5.65 O ATOM 159 CB THR A 10 10.776 -3.100 16.513 1.00 8.17 C ATOM 160 OG1 THR A 10 9.520 -3.369 15.903 1.00 8.43 O ATOM 161 CG2 THR A 10 11.074 -1.599 16.434 1.00 8.20 C ATOM 0 H THR A 10 13.205 -2.643 16.896 1.00 7.73 H new ATOM 0 HA THR A 10 11.736 -4.957 15.986 1.00 7.54 H new ATOM 0 HB THR A 10 10.747 -3.401 17.560 1.00 8.17 H new ATOM 0 HG1 THR A 10 8.818 -2.865 16.364 1.00 8.43 H new ATOM 0 HG21 THR A 10 10.290 -1.045 16.950 1.00 8.20 H new ATOM 0 HG22 THR A 10 12.035 -1.393 16.906 1.00 8.20 H new ATOM 0 HG23 THR A 10 11.110 -1.290 15.389 1.00 8.20 H new ATOM 169 N LEU A 11 11.271 -4.589 13.545 1.00 6.49 N ATOM 170 CA LEU A 11 11.152 -4.417 12.068 1.00 5.82 C ATOM 171 C LEU A 11 9.799 -3.786 11.732 1.00 4.93 C ATOM 172 O LEU A 11 8.758 -4.324 12.058 1.00 5.45 O ATOM 173 CB LEU A 11 11.262 -5.782 11.386 1.00 7.14 C ATOM 174 CG LEU A 11 12.659 -6.357 11.620 1.00 8.01 C ATOM 175 CD1 LEU A 11 12.712 -7.796 11.102 1.00 9.65 C ATOM 176 CD2 LEU A 11 13.691 -5.509 10.872 1.00 8.03 C ATOM 0 H LEU A 11 10.928 -5.480 13.904 1.00 6.49 H new ATOM 0 HA LEU A 11 11.952 -3.767 11.713 1.00 5.82 H new ATOM 0 HB2 LEU A 11 10.507 -6.461 11.782 1.00 7.14 H new ATOM 0 HB3 LEU A 11 11.072 -5.683 10.317 1.00 7.14 H new ATOM 0 HG LEU A 11 12.882 -6.346 12.687 1.00 8.01 H new ATOM 0 HD11 LEU A 11 13.708 -8.206 11.269 1.00 9.65 H new ATOM 0 HD12 LEU A 11 11.977 -8.401 11.633 1.00 9.65 H new ATOM 0 HD13 LEU A 11 12.489 -7.807 10.035 1.00 9.65 H new ATOM 0 HD21 LEU A 11 14.687 -5.918 11.038 1.00 8.03 H new ATOM 0 HD22 LEU A 11 13.467 -5.521 9.805 1.00 8.03 H new ATOM 0 HD23 LEU A 11 13.654 -4.483 11.239 1.00 8.03 H new ATOM 188 N ASN A 12 9.809 -2.648 11.084 1.00 4.00 N ATOM 189 CA ASN A 12 8.528 -1.975 10.722 1.00 3.45 C ATOM 190 C ASN A 12 8.706 -1.212 9.407 1.00 2.51 C ATOM 191 O ASN A 12 9.735 -1.299 8.765 1.00 2.33 O ATOM 192 CB ASN A 12 8.136 -0.995 11.831 1.00 3.88 C ATOM 193 CG ASN A 12 9.291 -0.026 12.091 1.00 3.87 C ATOM 194 OD1 ASN A 12 9.747 0.651 11.190 1.00 4.05 O ATOM 195 ND2 ASN A 12 9.789 0.069 13.293 1.00 4.83 N ATOM 0 H ASN A 12 10.653 -2.156 10.790 1.00 4.00 H new ATOM 0 HA ASN A 12 7.745 -2.724 10.604 1.00 3.45 H new ATOM 0 HB2 ASN A 12 7.242 -0.442 11.542 1.00 3.88 H new ATOM 0 HB3 ASN A 12 7.893 -1.540 12.743 1.00 3.88 H new ATOM 0 HD21 ASN A 12 10.560 0.711 13.476 1.00 4.83 H new ATOM 0 HD22 ASN A 12 9.407 -0.499 14.050 1.00 4.83 H new ATOM 202 N GLY A 13 7.708 -0.466 9.006 1.00 2.23 N ATOM 203 CA GLY A 13 7.809 0.308 7.733 1.00 1.80 C ATOM 204 C GLY A 13 7.899 -0.656 6.550 1.00 1.44 C ATOM 205 O GLY A 13 8.976 -1.049 6.140 1.00 1.89 O ATOM 0 H GLY A 13 6.826 -0.360 9.507 1.00 2.23 H new ATOM 0 HA2 GLY A 13 6.940 0.957 7.621 1.00 1.80 H new ATOM 0 HA3 GLY A 13 8.687 0.953 7.757 1.00 1.80 H new ATOM 209 N GLY A 14 6.775 -1.039 5.999 1.00 2.03 N ATOM 210 CA GLY A 14 6.785 -1.977 4.837 1.00 1.70 C ATOM 211 C GLY A 14 5.627 -1.644 3.892 1.00 1.37 C ATOM 212 O GLY A 14 5.142 -2.495 3.172 1.00 1.34 O ATOM 0 H GLY A 14 5.849 -0.741 6.305 1.00 2.03 H new ATOM 0 HA2 GLY A 14 7.734 -1.902 4.305 1.00 1.70 H new ATOM 0 HA3 GLY A 14 6.697 -3.005 5.187 1.00 1.70 H new ATOM 216 N ILE A 15 5.177 -0.412 3.892 1.00 1.27 N ATOM 217 CA ILE A 15 4.051 -0.019 3.002 1.00 1.02 C ATOM 218 C ILE A 15 4.483 -0.033 1.541 1.00 0.73 C ATOM 219 O ILE A 15 4.017 -0.836 0.761 1.00 0.73 O ATOM 220 CB ILE A 15 3.595 1.391 3.347 1.00 0.90 C ATOM 221 CG1 ILE A 15 3.249 1.482 4.835 1.00 1.28 C ATOM 222 CG2 ILE A 15 2.365 1.720 2.511 1.00 0.94 C ATOM 223 CD1 ILE A 15 2.748 2.893 5.145 1.00 1.59 C ATOM 0 H ILE A 15 5.547 0.339 4.475 1.00 1.27 H new ATOM 0 HA ILE A 15 3.241 -0.734 3.149 1.00 1.02 H new ATOM 0 HB ILE A 15 4.394 2.100 3.133 1.00 0.90 H new ATOM 0 HG12 ILE A 15 2.485 0.747 5.089 1.00 1.28 H new ATOM 0 HG13 ILE A 15 4.126 1.253 5.440 1.00 1.28 H new ATOM 0 HG21 ILE A 15 2.024 2.728 2.746 1.00 0.94 H new ATOM 0 HG22 ILE A 15 2.618 1.660 1.452 1.00 0.94 H new ATOM 0 HG23 ILE A 15 1.571 1.007 2.735 1.00 0.94 H new ATOM 0 HD11 ILE A 15 2.499 2.966 6.204 1.00 1.59 H new ATOM 0 HD12 ILE A 15 3.527 3.617 4.904 1.00 1.59 H new ATOM 0 HD13 ILE A 15 1.860 3.103 4.548 1.00 1.59 H new ATOM 235 N THR A 16 5.320 0.894 1.158 1.00 0.61 N ATOM 236 CA THR A 16 5.727 0.988 -0.260 1.00 0.49 C ATOM 237 C THR A 16 6.450 -0.285 -0.710 1.00 0.55 C ATOM 238 O THR A 16 6.409 -0.650 -1.868 1.00 0.56 O ATOM 239 CB THR A 16 6.649 2.190 -0.452 1.00 0.61 C ATOM 240 OG1 THR A 16 7.176 2.174 -1.771 1.00 0.72 O ATOM 241 CG2 THR A 16 7.796 2.135 0.559 1.00 0.81 C ATOM 0 H THR A 16 5.737 1.590 1.775 1.00 0.61 H new ATOM 0 HA THR A 16 4.829 1.109 -0.866 1.00 0.49 H new ATOM 0 HB THR A 16 6.081 3.107 -0.296 1.00 0.61 H new ATOM 0 HG1 THR A 16 7.984 2.727 -1.807 1.00 0.72 H new ATOM 0 HG21 THR A 16 8.449 2.996 0.415 1.00 0.81 H new ATOM 0 HG22 THR A 16 7.390 2.152 1.571 1.00 0.81 H new ATOM 0 HG23 THR A 16 8.367 1.218 0.412 1.00 0.81 H new ATOM 249 N ASP A 17 7.129 -0.947 0.189 1.00 0.66 N ATOM 250 CA ASP A 17 7.878 -2.183 -0.189 1.00 0.77 C ATOM 251 C ASP A 17 6.910 -3.343 -0.442 1.00 0.68 C ATOM 252 O ASP A 17 6.850 -3.885 -1.529 1.00 0.70 O ATOM 253 CB ASP A 17 8.831 -2.561 0.947 1.00 0.96 C ATOM 254 CG ASP A 17 10.195 -1.914 0.705 1.00 1.61 C ATOM 255 OD1 ASP A 17 10.286 -0.704 0.832 1.00 2.86 O ATOM 256 OD2 ASP A 17 11.127 -2.639 0.396 1.00 2.06 O ATOM 0 H ASP A 17 7.198 -0.685 1.172 1.00 0.66 H new ATOM 0 HA ASP A 17 8.440 -1.988 -1.103 1.00 0.77 H new ATOM 0 HB2 ASP A 17 8.424 -2.230 1.903 1.00 0.96 H new ATOM 0 HB3 ASP A 17 8.935 -3.645 1.003 1.00 0.96 H new ATOM 261 N MET A 18 6.174 -3.740 0.561 1.00 0.69 N ATOM 262 CA MET A 18 5.226 -4.882 0.404 1.00 0.67 C ATOM 263 C MET A 18 4.067 -4.518 -0.539 1.00 0.59 C ATOM 264 O MET A 18 3.334 -5.388 -0.976 1.00 0.65 O ATOM 265 CB MET A 18 4.667 -5.265 1.781 1.00 0.75 C ATOM 266 CG MET A 18 4.673 -6.792 1.936 1.00 1.46 C ATOM 267 SD MET A 18 5.058 -7.235 3.650 1.00 1.97 S ATOM 268 CE MET A 18 6.715 -6.510 3.707 1.00 2.78 C ATOM 0 H MET A 18 6.189 -3.319 1.490 1.00 0.69 H new ATOM 0 HA MET A 18 5.766 -5.723 -0.031 1.00 0.67 H new ATOM 0 HB2 MET A 18 5.267 -4.808 2.568 1.00 0.75 H new ATOM 0 HB3 MET A 18 3.652 -4.883 1.891 1.00 0.75 H new ATOM 0 HG2 MET A 18 3.701 -7.199 1.655 1.00 1.46 H new ATOM 0 HG3 MET A 18 5.409 -7.232 1.263 1.00 1.46 H new ATOM 0 HE1 MET A 18 7.374 -7.153 4.290 1.00 2.78 H new ATOM 0 HE2 MET A 18 7.105 -6.414 2.694 1.00 2.78 H new ATOM 0 HE3 MET A 18 6.665 -5.525 4.171 1.00 2.78 H new ATOM 278 N LEU A 19 3.896 -3.257 -0.871 1.00 0.51 N ATOM 279 CA LEU A 19 2.783 -2.882 -1.793 1.00 0.49 C ATOM 280 C LEU A 19 3.299 -2.933 -3.228 1.00 0.46 C ATOM 281 O LEU A 19 2.598 -3.320 -4.143 1.00 0.49 O ATOM 282 CB LEU A 19 2.270 -1.473 -1.485 1.00 0.56 C ATOM 283 CG LEU A 19 1.292 -1.517 -0.304 1.00 1.20 C ATOM 284 CD1 LEU A 19 0.813 -0.101 0.005 1.00 1.66 C ATOM 285 CD2 LEU A 19 0.079 -2.384 -0.657 1.00 2.27 C ATOM 0 H LEU A 19 4.474 -2.482 -0.545 1.00 0.51 H new ATOM 0 HA LEU A 19 1.959 -3.582 -1.659 1.00 0.49 H new ATOM 0 HB2 LEU A 19 3.107 -0.816 -1.250 1.00 0.56 H new ATOM 0 HB3 LEU A 19 1.775 -1.057 -2.363 1.00 0.56 H new ATOM 0 HG LEU A 19 1.800 -1.941 0.562 1.00 1.20 H new ATOM 0 HD11 LEU A 19 0.117 -0.127 0.844 1.00 1.66 H new ATOM 0 HD12 LEU A 19 1.668 0.524 0.262 1.00 1.66 H new ATOM 0 HD13 LEU A 19 0.311 0.312 -0.870 1.00 1.66 H new ATOM 0 HD21 LEU A 19 -0.609 -2.409 0.188 1.00 2.27 H new ATOM 0 HD22 LEU A 19 -0.428 -1.964 -1.526 1.00 2.27 H new ATOM 0 HD23 LEU A 19 0.410 -3.397 -0.885 1.00 2.27 H new ATOM 297 N VAL A 20 4.534 -2.552 -3.419 1.00 0.49 N ATOM 298 CA VAL A 20 5.135 -2.577 -4.780 1.00 0.55 C ATOM 299 C VAL A 20 5.525 -4.021 -5.139 1.00 0.61 C ATOM 300 O VAL A 20 5.694 -4.349 -6.297 1.00 0.71 O ATOM 301 CB VAL A 20 6.370 -1.666 -4.796 1.00 0.65 C ATOM 302 CG1 VAL A 20 7.057 -1.729 -6.161 1.00 0.79 C ATOM 303 CG2 VAL A 20 5.933 -0.224 -4.526 1.00 0.68 C ATOM 0 H VAL A 20 5.156 -2.222 -2.681 1.00 0.49 H new ATOM 0 HA VAL A 20 4.417 -2.217 -5.516 1.00 0.55 H new ATOM 0 HB VAL A 20 7.068 -2.000 -4.028 1.00 0.65 H new ATOM 0 HG11 VAL A 20 7.931 -1.078 -6.159 1.00 0.79 H new ATOM 0 HG12 VAL A 20 7.368 -2.754 -6.365 1.00 0.79 H new ATOM 0 HG13 VAL A 20 6.362 -1.400 -6.934 1.00 0.79 H new ATOM 0 HG21 VAL A 20 6.806 0.429 -4.536 1.00 0.68 H new ATOM 0 HG22 VAL A 20 5.233 0.095 -5.298 1.00 0.68 H new ATOM 0 HG23 VAL A 20 5.449 -0.167 -3.551 1.00 0.68 H new ATOM 313 N GLU A 21 5.666 -4.884 -4.158 1.00 0.64 N ATOM 314 CA GLU A 21 6.036 -6.300 -4.449 1.00 0.79 C ATOM 315 C GLU A 21 4.778 -7.069 -4.859 1.00 0.79 C ATOM 316 O GLU A 21 4.737 -7.713 -5.895 1.00 0.78 O ATOM 317 CB GLU A 21 6.644 -6.937 -3.198 1.00 1.02 C ATOM 318 CG GLU A 21 8.128 -6.572 -3.109 1.00 2.27 C ATOM 319 CD GLU A 21 8.946 -7.554 -3.949 1.00 2.93 C ATOM 320 OE1 GLU A 21 8.672 -7.663 -5.133 1.00 3.94 O ATOM 321 OE2 GLU A 21 9.835 -8.179 -3.395 1.00 3.56 O ATOM 0 H GLU A 21 5.540 -4.665 -3.170 1.00 0.64 H new ATOM 0 HA GLU A 21 6.766 -6.333 -5.258 1.00 0.79 H new ATOM 0 HB2 GLU A 21 6.119 -6.589 -2.308 1.00 1.02 H new ATOM 0 HB3 GLU A 21 6.527 -8.020 -3.235 1.00 1.02 H new ATOM 0 HG2 GLU A 21 8.285 -5.554 -3.465 1.00 2.27 H new ATOM 0 HG3 GLU A 21 8.459 -6.601 -2.071 1.00 2.27 H new ATOM 328 N LEU A 22 3.739 -6.995 -4.058 1.00 0.97 N ATOM 329 CA LEU A 22 2.470 -7.706 -4.395 1.00 1.15 C ATOM 330 C LEU A 22 1.959 -7.164 -5.749 1.00 0.98 C ATOM 331 O LEU A 22 1.363 -7.881 -6.526 1.00 0.98 O ATOM 332 CB LEU A 22 1.485 -7.526 -3.193 1.00 1.68 C ATOM 333 CG LEU A 22 0.050 -7.083 -3.565 1.00 1.21 C ATOM 334 CD1 LEU A 22 0.058 -5.644 -4.090 1.00 2.31 C ATOM 335 CD2 LEU A 22 -0.571 -8.033 -4.601 1.00 1.55 C ATOM 0 H LEU A 22 3.719 -6.470 -3.184 1.00 0.97 H new ATOM 0 HA LEU A 22 2.596 -8.780 -4.529 1.00 1.15 H new ATOM 0 HB2 LEU A 22 1.426 -8.470 -2.651 1.00 1.68 H new ATOM 0 HB3 LEU A 22 1.907 -6.791 -2.508 1.00 1.68 H new ATOM 0 HG LEU A 22 -0.563 -7.123 -2.665 1.00 1.21 H new ATOM 0 HD11 LEU A 22 -0.958 -5.345 -4.348 1.00 2.31 H new ATOM 0 HD12 LEU A 22 0.448 -4.978 -3.320 1.00 2.31 H new ATOM 0 HD13 LEU A 22 0.690 -5.583 -4.976 1.00 2.31 H new ATOM 0 HD21 LEU A 22 -1.579 -7.698 -4.844 1.00 1.55 H new ATOM 0 HD22 LEU A 22 0.038 -8.034 -5.505 1.00 1.55 H new ATOM 0 HD23 LEU A 22 -0.613 -9.042 -4.190 1.00 1.55 H new ATOM 347 N ALA A 23 2.233 -5.919 -6.047 1.00 0.94 N ATOM 348 CA ALA A 23 1.806 -5.354 -7.362 1.00 1.01 C ATOM 349 C ALA A 23 2.822 -5.787 -8.424 1.00 0.87 C ATOM 350 O ALA A 23 2.495 -5.954 -9.583 1.00 0.98 O ATOM 351 CB ALA A 23 1.761 -3.828 -7.282 1.00 1.27 C ATOM 0 H ALA A 23 2.733 -5.271 -5.438 1.00 0.94 H new ATOM 0 HA ALA A 23 0.812 -5.719 -7.621 1.00 1.01 H new ATOM 0 HB1 ALA A 23 1.449 -3.422 -8.244 1.00 1.27 H new ATOM 0 HB2 ALA A 23 1.051 -3.525 -6.513 1.00 1.27 H new ATOM 0 HB3 ALA A 23 2.751 -3.447 -7.032 1.00 1.27 H new ATOM 357 N ASN A 24 4.052 -5.997 -8.019 1.00 0.79 N ATOM 358 CA ASN A 24 5.103 -6.447 -8.972 1.00 0.96 C ATOM 359 C ASN A 24 4.738 -7.830 -9.522 1.00 1.01 C ATOM 360 O ASN A 24 5.286 -8.254 -10.520 1.00 1.38 O ATOM 361 CB ASN A 24 6.448 -6.524 -8.247 1.00 0.98 C ATOM 362 CG ASN A 24 7.202 -5.206 -8.433 1.00 2.22 C ATOM 363 OD1 ASN A 24 7.093 -4.570 -9.462 1.00 2.79 O ATOM 364 ND2 ASN A 24 7.971 -4.767 -7.474 1.00 3.37 N ATOM 0 H ASN A 24 4.371 -5.873 -7.058 1.00 0.79 H new ATOM 0 HA ASN A 24 5.174 -5.737 -9.796 1.00 0.96 H new ATOM 0 HB2 ASN A 24 6.291 -6.719 -7.186 1.00 0.98 H new ATOM 0 HB3 ASN A 24 7.038 -7.352 -8.640 1.00 0.98 H new ATOM 0 HD21 ASN A 24 8.480 -3.890 -7.589 1.00 3.37 H new ATOM 0 HD22 ASN A 24 8.063 -5.300 -6.610 1.00 3.37 H new ATOM 371 N PHE A 25 3.813 -8.532 -8.872 1.00 0.82 N ATOM 372 CA PHE A 25 3.359 -9.901 -9.322 1.00 0.98 C ATOM 373 C PHE A 25 3.420 -10.043 -10.853 1.00 1.25 C ATOM 374 O PHE A 25 4.025 -10.959 -11.376 1.00 1.69 O ATOM 375 CB PHE A 25 1.906 -10.102 -8.853 1.00 0.83 C ATOM 376 CG PHE A 25 1.831 -11.167 -7.780 1.00 1.08 C ATOM 377 CD1 PHE A 25 2.443 -12.409 -7.982 1.00 2.56 C ATOM 378 CD2 PHE A 25 1.138 -10.916 -6.591 1.00 1.43 C ATOM 379 CE1 PHE A 25 2.360 -13.397 -6.995 1.00 3.03 C ATOM 380 CE2 PHE A 25 1.052 -11.902 -5.606 1.00 1.55 C ATOM 381 CZ PHE A 25 1.664 -13.144 -5.806 1.00 2.04 C ATOM 0 H PHE A 25 3.346 -8.199 -8.028 1.00 0.82 H new ATOM 0 HA PHE A 25 4.022 -10.651 -8.891 1.00 0.98 H new ATOM 0 HB2 PHE A 25 1.510 -9.162 -8.468 1.00 0.83 H new ATOM 0 HB3 PHE A 25 1.282 -10.388 -9.700 1.00 0.83 H new ATOM 0 HD1 PHE A 25 2.979 -12.605 -8.899 1.00 2.56 H new ATOM 0 HD2 PHE A 25 0.668 -9.956 -6.434 1.00 1.43 H new ATOM 0 HE1 PHE A 25 2.833 -14.356 -7.150 1.00 3.03 H new ATOM 0 HE2 PHE A 25 0.514 -11.706 -4.691 1.00 1.55 H new ATOM 0 HZ PHE A 25 1.600 -13.907 -5.044 1.00 2.04 H new ATOM 391 N GLU A 26 2.811 -9.123 -11.562 1.00 1.23 N ATOM 392 CA GLU A 26 2.831 -9.158 -13.067 1.00 1.63 C ATOM 393 C GLU A 26 2.526 -10.569 -13.598 1.00 1.58 C ATOM 394 O GLU A 26 2.958 -10.938 -14.675 1.00 2.04 O ATOM 395 CB GLU A 26 4.213 -8.724 -13.558 1.00 2.27 C ATOM 396 CG GLU A 26 4.097 -8.144 -14.969 1.00 2.94 C ATOM 397 CD GLU A 26 5.339 -7.305 -15.279 1.00 3.47 C ATOM 398 OE1 GLU A 26 5.565 -6.335 -14.574 1.00 4.22 O ATOM 399 OE2 GLU A 26 6.041 -7.647 -16.217 1.00 3.85 O ATOM 0 H GLU A 26 2.295 -8.340 -11.162 1.00 1.23 H new ATOM 0 HA GLU A 26 2.062 -8.480 -13.437 1.00 1.63 H new ATOM 0 HB2 GLU A 26 4.633 -7.980 -12.881 1.00 2.27 H new ATOM 0 HB3 GLU A 26 4.894 -9.575 -13.559 1.00 2.27 H new ATOM 0 HG2 GLU A 26 3.997 -8.949 -15.697 1.00 2.94 H new ATOM 0 HG3 GLU A 26 3.200 -7.529 -15.049 1.00 2.94 H new ATOM 406 N LYS A 27 1.791 -11.352 -12.852 1.00 1.29 N ATOM 407 CA LYS A 27 1.460 -12.735 -13.305 1.00 1.50 C ATOM 408 C LYS A 27 0.224 -13.221 -12.551 1.00 1.39 C ATOM 409 O LYS A 27 -0.837 -13.387 -13.125 1.00 1.41 O ATOM 410 CB LYS A 27 2.642 -13.664 -13.017 1.00 2.14 C ATOM 411 CG LYS A 27 2.358 -15.051 -13.599 1.00 2.08 C ATOM 412 CD LYS A 27 3.079 -16.113 -12.767 1.00 2.58 C ATOM 413 CE LYS A 27 2.625 -17.505 -13.209 1.00 2.92 C ATOM 414 NZ LYS A 27 3.715 -18.488 -12.952 1.00 3.71 N ATOM 0 H LYS A 27 1.404 -11.092 -11.945 1.00 1.29 H new ATOM 0 HA LYS A 27 1.259 -12.737 -14.376 1.00 1.50 H new ATOM 0 HB2 LYS A 27 3.554 -13.255 -13.453 1.00 2.14 H new ATOM 0 HB3 LYS A 27 2.807 -13.736 -11.942 1.00 2.14 H new ATOM 0 HG2 LYS A 27 1.285 -15.243 -13.601 1.00 2.08 H new ATOM 0 HG3 LYS A 27 2.692 -15.097 -14.635 1.00 2.08 H new ATOM 0 HD2 LYS A 27 4.158 -16.015 -12.889 1.00 2.58 H new ATOM 0 HD3 LYS A 27 2.864 -15.968 -11.708 1.00 2.58 H new ATOM 0 HE2 LYS A 27 1.725 -17.795 -12.667 1.00 2.92 H new ATOM 0 HE3 LYS A 27 2.371 -17.497 -14.269 1.00 2.92 H new ATOM 0 HZ1 LYS A 27 3.407 -19.435 -13.252 1.00 3.71 H new ATOM 0 HZ2 LYS A 27 4.563 -18.214 -13.488 1.00 3.71 H new ATOM 0 HZ3 LYS A 27 3.937 -18.502 -11.936 1.00 3.71 H new ATOM 428 N ASN A 28 0.348 -13.437 -11.266 1.00 1.62 N ATOM 429 CA ASN A 28 -0.825 -13.893 -10.467 1.00 2.00 C ATOM 430 C ASN A 28 -1.830 -12.744 -10.375 1.00 1.81 C ATOM 431 O ASN A 28 -3.026 -12.957 -10.299 1.00 2.28 O ATOM 432 CB ASN A 28 -0.369 -14.296 -9.060 1.00 2.40 C ATOM 433 CG ASN A 28 -0.206 -15.815 -8.989 1.00 3.89 C ATOM 434 OD1 ASN A 28 0.657 -16.376 -9.635 1.00 5.46 O ATOM 435 ND2 ASN A 28 -1.004 -16.509 -8.225 1.00 3.93 N ATOM 0 H ASN A 28 1.212 -13.317 -10.737 1.00 1.62 H new ATOM 0 HA ASN A 28 -1.289 -14.755 -10.947 1.00 2.00 H new ATOM 0 HB2 ASN A 28 0.575 -13.807 -8.819 1.00 2.40 H new ATOM 0 HB3 ASN A 28 -1.098 -13.963 -8.321 1.00 2.40 H new ATOM 0 HD21 ASN A 28 -0.904 -17.523 -8.170 1.00 3.93 H new ATOM 0 HD22 ASN A 28 -1.728 -16.038 -7.683 1.00 3.93 H new ATOM 442 N VAL A 29 -1.351 -11.524 -10.394 1.00 1.41 N ATOM 443 CA VAL A 29 -2.264 -10.352 -10.323 1.00 1.58 C ATOM 444 C VAL A 29 -2.506 -9.812 -11.745 1.00 1.99 C ATOM 445 O VAL A 29 -2.883 -8.670 -11.932 1.00 2.52 O ATOM 446 CB VAL A 29 -1.613 -9.283 -9.434 1.00 1.12 C ATOM 447 CG1 VAL A 29 -2.535 -8.073 -9.303 1.00 1.49 C ATOM 448 CG2 VAL A 29 -1.373 -9.874 -8.047 1.00 1.26 C ATOM 0 H VAL A 29 -0.359 -11.293 -10.456 1.00 1.41 H new ATOM 0 HA VAL A 29 -3.226 -10.635 -9.895 1.00 1.58 H new ATOM 0 HB VAL A 29 -0.671 -8.968 -9.883 1.00 1.12 H new ATOM 0 HG11 VAL A 29 -2.062 -7.322 -8.670 1.00 1.49 H new ATOM 0 HG12 VAL A 29 -2.723 -7.650 -10.290 1.00 1.49 H new ATOM 0 HG13 VAL A 29 -3.480 -8.382 -8.855 1.00 1.49 H new ATOM 0 HG21 VAL A 29 -0.911 -9.123 -7.407 1.00 1.26 H new ATOM 0 HG22 VAL A 29 -2.324 -10.184 -7.614 1.00 1.26 H new ATOM 0 HG23 VAL A 29 -0.713 -10.737 -8.129 1.00 1.26 H new ATOM 458 N SER A 30 -2.299 -10.636 -12.751 1.00 2.40 N ATOM 459 CA SER A 30 -2.522 -10.190 -14.159 1.00 3.08 C ATOM 460 C SER A 30 -3.965 -10.502 -14.569 1.00 3.97 C ATOM 461 O SER A 30 -4.553 -9.805 -15.374 1.00 4.45 O ATOM 462 CB SER A 30 -1.557 -10.929 -15.086 1.00 3.45 C ATOM 463 OG SER A 30 -1.868 -10.612 -16.436 1.00 4.32 O ATOM 0 H SER A 30 -1.984 -11.601 -12.651 1.00 2.40 H new ATOM 0 HA SER A 30 -2.346 -9.117 -14.234 1.00 3.08 H new ATOM 0 HB2 SER A 30 -0.529 -10.645 -14.861 1.00 3.45 H new ATOM 0 HB3 SER A 30 -1.633 -12.005 -14.926 1.00 3.45 H new ATOM 0 HG SER A 30 -1.250 -11.083 -17.033 1.00 4.32 H new ATOM 469 N GLN A 31 -4.539 -11.541 -14.010 1.00 5.10 N ATOM 470 CA GLN A 31 -5.953 -11.900 -14.353 1.00 6.35 C ATOM 471 C GLN A 31 -6.930 -11.149 -13.431 1.00 6.48 C ATOM 472 O GLN A 31 -8.114 -11.427 -13.415 1.00 7.54 O ATOM 473 CB GLN A 31 -6.159 -13.412 -14.192 1.00 7.52 C ATOM 474 CG GLN A 31 -5.662 -13.868 -12.812 1.00 8.55 C ATOM 475 CD GLN A 31 -4.372 -14.688 -12.959 1.00 8.68 C ATOM 476 OE1 GLN A 31 -4.142 -15.612 -12.203 1.00 9.98 O ATOM 477 NE2 GLN A 31 -3.517 -14.392 -13.902 1.00 7.83 N ATOM 0 H GLN A 31 -4.090 -12.156 -13.331 1.00 5.10 H new ATOM 0 HA GLN A 31 -6.146 -11.614 -15.387 1.00 6.35 H new ATOM 0 HB2 GLN A 31 -7.215 -13.657 -14.306 1.00 7.52 H new ATOM 0 HB3 GLN A 31 -5.621 -13.946 -14.976 1.00 7.52 H new ATOM 0 HG2 GLN A 31 -5.480 -13.000 -12.178 1.00 8.55 H new ATOM 0 HG3 GLN A 31 -6.429 -14.467 -12.321 1.00 8.55 H new ATOM 0 HE21 GLN A 31 -3.707 -13.617 -14.538 1.00 7.83 H new ATOM 0 HE22 GLN A 31 -2.660 -14.936 -14.002 1.00 7.83 H new ATOM 486 N ALA A 32 -6.446 -10.190 -12.680 1.00 5.79 N ATOM 487 CA ALA A 32 -7.321 -9.402 -11.778 1.00 6.21 C ATOM 488 C ALA A 32 -6.775 -7.978 -11.774 1.00 4.37 C ATOM 489 O ALA A 32 -6.309 -7.475 -10.773 1.00 5.06 O ATOM 490 CB ALA A 32 -7.279 -9.990 -10.365 1.00 8.09 C ATOM 0 H ALA A 32 -5.462 -9.921 -12.659 1.00 5.79 H new ATOM 0 HA ALA A 32 -8.357 -9.422 -12.115 1.00 6.21 H new ATOM 0 HB1 ALA A 32 -7.924 -9.406 -9.709 1.00 8.09 H new ATOM 0 HB2 ALA A 32 -7.627 -11.023 -10.390 1.00 8.09 H new ATOM 0 HB3 ALA A 32 -6.256 -9.961 -9.989 1.00 8.09 H new ATOM 496 N ILE A 33 -6.796 -7.351 -12.917 1.00 2.71 N ATOM 497 CA ILE A 33 -6.253 -5.972 -13.051 1.00 1.35 C ATOM 498 C ILE A 33 -7.001 -5.009 -12.105 1.00 1.73 C ATOM 499 O ILE A 33 -6.398 -4.169 -11.472 1.00 2.86 O ATOM 500 CB ILE A 33 -6.360 -5.570 -14.552 1.00 2.20 C ATOM 501 CG1 ILE A 33 -4.962 -5.246 -15.091 1.00 2.71 C ATOM 502 CG2 ILE A 33 -7.284 -4.366 -14.785 1.00 3.89 C ATOM 503 CD1 ILE A 33 -4.107 -6.517 -15.077 1.00 2.32 C ATOM 0 H ILE A 33 -7.174 -7.744 -13.779 1.00 2.71 H new ATOM 0 HA ILE A 33 -5.206 -5.921 -12.754 1.00 1.35 H new ATOM 0 HB ILE A 33 -6.796 -6.418 -15.081 1.00 2.20 H new ATOM 0 HG12 ILE A 33 -5.033 -4.853 -16.105 1.00 2.71 H new ATOM 0 HG13 ILE A 33 -4.495 -4.473 -14.481 1.00 2.71 H new ATOM 0 HG21 ILE A 33 -7.318 -4.134 -15.849 1.00 3.89 H new ATOM 0 HG22 ILE A 33 -8.288 -4.604 -14.434 1.00 3.89 H new ATOM 0 HG23 ILE A 33 -6.903 -3.504 -14.238 1.00 3.89 H new ATOM 0 HD11 ILE A 33 -3.112 -6.290 -15.460 1.00 2.32 H new ATOM 0 HD12 ILE A 33 -4.027 -6.890 -14.056 1.00 2.32 H new ATOM 0 HD13 ILE A 33 -4.573 -7.276 -15.705 1.00 2.32 H new ATOM 515 N HIS A 34 -8.303 -5.122 -12.015 1.00 1.39 N ATOM 516 CA HIS A 34 -9.092 -4.207 -11.113 1.00 1.71 C ATOM 517 C HIS A 34 -8.479 -4.197 -9.702 1.00 1.44 C ATOM 518 O HIS A 34 -8.582 -3.223 -8.980 1.00 1.91 O ATOM 519 CB HIS A 34 -10.561 -4.662 -11.038 1.00 2.21 C ATOM 520 CG HIS A 34 -10.643 -6.154 -10.848 1.00 2.19 C ATOM 521 ND1 HIS A 34 -10.563 -7.036 -11.912 1.00 2.85 N ATOM 522 CD2 HIS A 34 -10.791 -6.933 -9.728 1.00 2.91 C ATOM 523 CE1 HIS A 34 -10.655 -8.280 -11.418 1.00 3.08 C ATOM 524 NE2 HIS A 34 -10.797 -8.277 -10.090 1.00 3.05 N ATOM 0 H HIS A 34 -8.860 -5.807 -12.525 1.00 1.39 H new ATOM 0 HA HIS A 34 -9.056 -3.199 -11.527 1.00 1.71 H new ATOM 0 HB2 HIS A 34 -11.063 -4.156 -10.213 1.00 2.21 H new ATOM 0 HB3 HIS A 34 -11.083 -4.377 -11.951 1.00 2.21 H new ATOM 0 HD1 HIS A 34 -10.454 -6.785 -12.895 1.00 2.85 H new ATOM 0 HD2 HIS A 34 -10.888 -6.560 -8.719 1.00 2.91 H new ATOM 0 HE1 HIS A 34 -10.619 -9.175 -12.021 1.00 3.08 H new ATOM 532 N LYS A 35 -7.824 -5.265 -9.324 1.00 1.12 N ATOM 533 CA LYS A 35 -7.176 -5.322 -7.978 1.00 1.18 C ATOM 534 C LYS A 35 -5.733 -4.822 -8.103 1.00 0.94 C ATOM 535 O LYS A 35 -5.190 -4.222 -7.197 1.00 0.84 O ATOM 536 CB LYS A 35 -7.169 -6.767 -7.474 1.00 1.48 C ATOM 537 CG LYS A 35 -8.564 -7.146 -6.979 1.00 1.91 C ATOM 538 CD LYS A 35 -8.768 -8.655 -7.128 1.00 2.71 C ATOM 539 CE LYS A 35 -9.827 -9.127 -6.132 1.00 3.05 C ATOM 540 NZ LYS A 35 -11.176 -9.025 -6.757 1.00 3.80 N ATOM 0 H LYS A 35 -7.709 -6.104 -9.892 1.00 1.12 H new ATOM 0 HA LYS A 35 -7.728 -4.698 -7.275 1.00 1.18 H new ATOM 0 HB2 LYS A 35 -6.861 -7.440 -8.274 1.00 1.48 H new ATOM 0 HB3 LYS A 35 -6.444 -6.878 -6.668 1.00 1.48 H new ATOM 0 HG2 LYS A 35 -8.683 -6.854 -5.936 1.00 1.91 H new ATOM 0 HG3 LYS A 35 -9.322 -6.608 -7.549 1.00 1.91 H new ATOM 0 HD2 LYS A 35 -9.079 -8.892 -8.145 1.00 2.71 H new ATOM 0 HD3 LYS A 35 -7.829 -9.179 -6.952 1.00 2.71 H new ATOM 0 HE2 LYS A 35 -9.629 -10.157 -5.835 1.00 3.05 H new ATOM 0 HE3 LYS A 35 -9.787 -8.521 -5.227 1.00 3.05 H new ATOM 0 HZ1 LYS A 35 -11.731 -8.293 -6.268 1.00 3.80 H new ATOM 0 HZ2 LYS A 35 -11.075 -8.771 -7.760 1.00 3.80 H new ATOM 0 HZ3 LYS A 35 -11.665 -9.940 -6.679 1.00 3.80 H new ATOM 554 N TYR A 36 -5.115 -5.071 -9.229 1.00 0.99 N ATOM 555 CA TYR A 36 -3.707 -4.627 -9.459 1.00 0.83 C ATOM 556 C TYR A 36 -3.591 -3.107 -9.244 1.00 0.75 C ATOM 557 O TYR A 36 -2.812 -2.648 -8.431 1.00 0.91 O ATOM 558 CB TYR A 36 -3.319 -4.993 -10.903 1.00 0.86 C ATOM 559 CG TYR A 36 -1.920 -4.512 -11.242 1.00 0.95 C ATOM 560 CD1 TYR A 36 -0.885 -4.583 -10.297 1.00 2.22 C ATOM 561 CD2 TYR A 36 -1.665 -3.989 -12.515 1.00 1.60 C ATOM 562 CE1 TYR A 36 0.397 -4.130 -10.629 1.00 2.34 C ATOM 563 CE2 TYR A 36 -0.385 -3.537 -12.846 1.00 1.68 C ATOM 564 CZ TYR A 36 0.648 -3.606 -11.903 1.00 1.31 C ATOM 565 OH TYR A 36 1.912 -3.160 -12.230 1.00 1.54 O ATOM 0 H TYR A 36 -5.534 -5.572 -10.012 1.00 0.99 H new ATOM 0 HA TYR A 36 -3.036 -5.121 -8.756 1.00 0.83 H new ATOM 0 HB2 TYR A 36 -3.375 -6.074 -11.033 1.00 0.86 H new ATOM 0 HB3 TYR A 36 -4.035 -4.551 -11.596 1.00 0.86 H new ATOM 0 HD1 TYR A 36 -1.078 -4.987 -9.314 1.00 2.22 H new ATOM 0 HD2 TYR A 36 -2.460 -3.935 -13.244 1.00 1.60 H new ATOM 0 HE1 TYR A 36 1.194 -4.185 -9.902 1.00 2.34 H new ATOM 0 HE2 TYR A 36 -0.192 -3.134 -13.829 1.00 1.68 H new ATOM 0 HH TYR A 36 1.914 -2.829 -13.152 1.00 1.54 H new ATOM 575 N ASN A 37 -4.365 -2.330 -9.964 1.00 0.71 N ATOM 576 CA ASN A 37 -4.313 -0.842 -9.806 1.00 0.68 C ATOM 577 C ASN A 37 -4.587 -0.454 -8.345 1.00 0.63 C ATOM 578 O ASN A 37 -4.222 0.616 -7.903 1.00 0.67 O ATOM 579 CB ASN A 37 -5.371 -0.201 -10.707 1.00 0.83 C ATOM 580 CG ASN A 37 -6.738 -0.825 -10.416 1.00 2.63 C ATOM 581 OD1 ASN A 37 -7.103 -1.821 -11.007 1.00 3.83 O ATOM 582 ND2 ASN A 37 -7.515 -0.275 -9.522 1.00 3.96 N ATOM 0 H ASN A 37 -5.034 -2.665 -10.658 1.00 0.71 H new ATOM 0 HA ASN A 37 -3.321 -0.488 -10.088 1.00 0.68 H new ATOM 0 HB2 ASN A 37 -5.407 0.875 -10.535 1.00 0.83 H new ATOM 0 HB3 ASN A 37 -5.108 -0.348 -11.755 1.00 0.83 H new ATOM 0 HD21 ASN A 37 -8.428 -0.682 -9.320 1.00 3.96 H new ATOM 0 HD22 ASN A 37 -7.209 0.562 -9.025 1.00 3.96 H new ATOM 589 N ALA A 38 -5.229 -1.316 -7.598 1.00 0.64 N ATOM 590 CA ALA A 38 -5.532 -1.014 -6.166 1.00 0.70 C ATOM 591 C ALA A 38 -4.238 -0.730 -5.399 1.00 0.62 C ATOM 592 O ALA A 38 -4.109 0.263 -4.706 1.00 0.63 O ATOM 593 CB ALA A 38 -6.205 -2.238 -5.539 1.00 0.78 C ATOM 0 H ALA A 38 -5.559 -2.225 -7.922 1.00 0.64 H new ATOM 0 HA ALA A 38 -6.183 -0.141 -6.115 1.00 0.70 H new ATOM 0 HB1 ALA A 38 -6.432 -2.032 -4.493 1.00 0.78 H new ATOM 0 HB2 ALA A 38 -7.128 -2.460 -6.074 1.00 0.78 H new ATOM 0 HB3 ALA A 38 -5.534 -3.095 -5.603 1.00 0.78 H new ATOM 599 N TYR A 39 -3.292 -1.617 -5.510 1.00 0.71 N ATOM 600 CA TYR A 39 -1.991 -1.454 -4.778 1.00 0.75 C ATOM 601 C TYR A 39 -1.028 -0.588 -5.594 1.00 0.70 C ATOM 602 O TYR A 39 -0.033 -0.114 -5.082 1.00 0.69 O ATOM 603 CB TYR A 39 -1.331 -2.827 -4.534 1.00 0.98 C ATOM 604 CG TYR A 39 -2.373 -3.921 -4.461 1.00 1.06 C ATOM 605 CD1 TYR A 39 -3.072 -4.145 -3.273 1.00 2.22 C ATOM 606 CD2 TYR A 39 -2.641 -4.701 -5.591 1.00 1.37 C ATOM 607 CE1 TYR A 39 -4.040 -5.150 -3.213 1.00 2.29 C ATOM 608 CE2 TYR A 39 -3.606 -5.706 -5.533 1.00 1.39 C ATOM 609 CZ TYR A 39 -4.309 -5.933 -4.342 1.00 1.23 C ATOM 610 OH TYR A 39 -5.265 -6.926 -4.283 1.00 1.32 O ATOM 0 H TYR A 39 -3.358 -2.460 -6.081 1.00 0.71 H new ATOM 0 HA TYR A 39 -2.202 -0.974 -3.822 1.00 0.75 H new ATOM 0 HB2 TYR A 39 -0.626 -3.044 -5.336 1.00 0.98 H new ATOM 0 HB3 TYR A 39 -0.760 -2.801 -3.606 1.00 0.98 H new ATOM 0 HD1 TYR A 39 -2.864 -3.542 -2.402 1.00 2.22 H new ATOM 0 HD2 TYR A 39 -2.100 -4.525 -6.509 1.00 1.37 H new ATOM 0 HE1 TYR A 39 -4.582 -5.323 -2.295 1.00 2.29 H new ATOM 0 HE2 TYR A 39 -3.811 -6.309 -6.405 1.00 1.39 H new ATOM 0 HH TYR A 39 -5.957 -6.676 -3.636 1.00 1.32 H new ATOM 620 N ARG A 40 -1.306 -0.389 -6.855 1.00 0.74 N ATOM 621 CA ARG A 40 -0.404 0.436 -7.700 1.00 0.78 C ATOM 622 C ARG A 40 -0.506 1.905 -7.273 1.00 0.67 C ATOM 623 O ARG A 40 0.493 2.571 -7.062 1.00 0.78 O ATOM 624 CB ARG A 40 -0.837 0.280 -9.156 1.00 0.90 C ATOM 625 CG ARG A 40 0.139 1.026 -10.067 1.00 0.97 C ATOM 626 CD ARG A 40 1.428 0.213 -10.205 1.00 1.37 C ATOM 627 NE ARG A 40 2.428 0.994 -10.996 1.00 1.67 N ATOM 628 CZ ARG A 40 3.701 0.653 -11.023 1.00 2.60 C ATOM 629 NH1 ARG A 40 4.149 -0.386 -10.358 1.00 3.58 N ATOM 630 NH2 ARG A 40 4.536 1.366 -11.729 1.00 3.29 N ATOM 0 H ARG A 40 -2.123 -0.765 -7.335 1.00 0.74 H new ATOM 0 HA ARG A 40 0.630 0.111 -7.585 1.00 0.78 H new ATOM 0 HB2 ARG A 40 -0.866 -0.776 -9.426 1.00 0.90 H new ATOM 0 HB3 ARG A 40 -1.846 0.671 -9.289 1.00 0.90 H new ATOM 0 HG2 ARG A 40 -0.310 1.185 -11.047 1.00 0.97 H new ATOM 0 HG3 ARG A 40 0.359 2.010 -9.654 1.00 0.97 H new ATOM 0 HD2 ARG A 40 1.830 -0.021 -9.219 1.00 1.37 H new ATOM 0 HD3 ARG A 40 1.220 -0.737 -10.698 1.00 1.37 H new ATOM 0 HE ARG A 40 2.118 1.808 -11.526 1.00 1.67 H new ATOM 0 HH11 ARG A 40 3.507 -0.952 -9.803 1.00 3.58 H new ATOM 0 HH12 ARG A 40 5.139 -0.628 -10.396 1.00 3.58 H new ATOM 0 HH21 ARG A 40 4.201 2.176 -12.251 1.00 3.29 H new ATOM 0 HH22 ARG A 40 5.524 1.113 -11.759 1.00 3.29 H new ATOM 644 N LYS A 41 -1.706 2.410 -7.144 1.00 0.56 N ATOM 645 CA LYS A 41 -1.890 3.833 -6.735 1.00 0.56 C ATOM 646 C LYS A 41 -1.638 3.979 -5.232 1.00 0.48 C ATOM 647 O LYS A 41 -1.081 4.965 -4.786 1.00 0.48 O ATOM 648 CB LYS A 41 -3.321 4.273 -7.058 1.00 0.64 C ATOM 649 CG LYS A 41 -3.348 4.967 -8.421 1.00 1.38 C ATOM 650 CD LYS A 41 -3.249 3.917 -9.532 1.00 3.01 C ATOM 651 CE LYS A 41 -4.084 4.364 -10.735 1.00 3.47 C ATOM 652 NZ LYS A 41 -3.408 3.942 -11.994 1.00 5.17 N ATOM 0 H LYS A 41 -2.571 1.894 -7.306 1.00 0.56 H new ATOM 0 HA LYS A 41 -1.182 4.458 -7.279 1.00 0.56 H new ATOM 0 HB2 LYS A 41 -3.985 3.409 -7.065 1.00 0.64 H new ATOM 0 HB3 LYS A 41 -3.687 4.950 -6.286 1.00 0.64 H new ATOM 0 HG2 LYS A 41 -4.268 5.541 -8.530 1.00 1.38 H new ATOM 0 HG3 LYS A 41 -2.521 5.672 -8.498 1.00 1.38 H new ATOM 0 HD2 LYS A 41 -2.209 3.783 -9.828 1.00 3.01 H new ATOM 0 HD3 LYS A 41 -3.604 2.953 -9.168 1.00 3.01 H new ATOM 0 HE2 LYS A 41 -5.081 3.927 -10.681 1.00 3.47 H new ATOM 0 HE3 LYS A 41 -4.209 5.447 -10.722 1.00 3.47 H new ATOM 0 HZ1 LYS A 41 -3.975 4.246 -12.811 1.00 5.17 H new ATOM 0 HZ2 LYS A 41 -2.466 4.379 -12.045 1.00 5.17 H new ATOM 0 HZ3 LYS A 41 -3.311 2.907 -12.006 1.00 5.17 H new ATOM 666 N ALA A 42 -2.048 3.012 -4.444 1.00 0.47 N ATOM 667 CA ALA A 42 -1.834 3.106 -2.966 1.00 0.49 C ATOM 668 C ALA A 42 -0.338 3.208 -2.663 1.00 0.49 C ATOM 669 O ALA A 42 0.111 4.155 -2.057 1.00 0.68 O ATOM 670 CB ALA A 42 -2.401 1.863 -2.275 1.00 0.56 C ATOM 0 H ALA A 42 -2.520 2.165 -4.761 1.00 0.47 H new ATOM 0 HA ALA A 42 -2.345 3.994 -2.594 1.00 0.49 H new ATOM 0 HB1 ALA A 42 -2.241 1.940 -1.200 1.00 0.56 H new ATOM 0 HB2 ALA A 42 -3.469 1.789 -2.479 1.00 0.56 H new ATOM 0 HB3 ALA A 42 -1.897 0.974 -2.654 1.00 0.56 H new ATOM 676 N ALA A 43 0.426 2.234 -3.076 1.00 0.74 N ATOM 677 CA ALA A 43 1.898 2.252 -2.812 1.00 0.84 C ATOM 678 C ALA A 43 2.537 3.510 -3.413 1.00 0.76 C ATOM 679 O ALA A 43 3.552 3.979 -2.937 1.00 0.77 O ATOM 680 CB ALA A 43 2.532 1.007 -3.440 1.00 1.12 C ATOM 0 H ALA A 43 0.093 1.418 -3.590 1.00 0.74 H new ATOM 0 HA ALA A 43 2.067 2.257 -1.735 1.00 0.84 H new ATOM 0 HB1 ALA A 43 3.606 1.012 -3.253 1.00 1.12 H new ATOM 0 HB2 ALA A 43 2.091 0.113 -3.000 1.00 1.12 H new ATOM 0 HB3 ALA A 43 2.351 1.010 -4.515 1.00 1.12 H new ATOM 686 N SER A 44 1.962 4.046 -4.459 1.00 0.77 N ATOM 687 CA SER A 44 2.547 5.264 -5.096 1.00 0.84 C ATOM 688 C SER A 44 2.389 6.477 -4.170 1.00 0.63 C ATOM 689 O SER A 44 3.208 7.377 -4.175 1.00 0.68 O ATOM 690 CB SER A 44 1.828 5.538 -6.417 1.00 1.05 C ATOM 691 OG SER A 44 2.391 4.723 -7.436 1.00 2.46 O ATOM 0 H SER A 44 1.113 3.693 -4.900 1.00 0.77 H new ATOM 0 HA SER A 44 3.608 5.094 -5.278 1.00 0.84 H new ATOM 0 HB2 SER A 44 0.763 5.329 -6.315 1.00 1.05 H new ATOM 0 HB3 SER A 44 1.922 6.591 -6.684 1.00 1.05 H new ATOM 0 HG SER A 44 1.887 3.885 -7.501 1.00 2.46 H new ATOM 697 N VAL A 45 1.334 6.518 -3.396 1.00 0.51 N ATOM 698 CA VAL A 45 1.108 7.684 -2.486 1.00 0.49 C ATOM 699 C VAL A 45 1.756 7.446 -1.110 1.00 0.41 C ATOM 700 O VAL A 45 2.056 8.393 -0.407 1.00 0.68 O ATOM 701 CB VAL A 45 -0.408 7.909 -2.328 1.00 0.60 C ATOM 702 CG1 VAL A 45 -1.068 6.629 -1.823 1.00 0.54 C ATOM 703 CG2 VAL A 45 -0.685 9.047 -1.332 1.00 0.74 C ATOM 0 H VAL A 45 0.618 5.793 -3.354 1.00 0.51 H new ATOM 0 HA VAL A 45 1.571 8.569 -2.922 1.00 0.49 H new ATOM 0 HB VAL A 45 -0.820 8.180 -3.300 1.00 0.60 H new ATOM 0 HG11 VAL A 45 -2.140 6.792 -1.712 1.00 0.54 H new ATOM 0 HG12 VAL A 45 -0.895 5.824 -2.537 1.00 0.54 H new ATOM 0 HG13 VAL A 45 -0.641 6.356 -0.858 1.00 0.54 H new ATOM 0 HG21 VAL A 45 -1.761 9.191 -1.234 1.00 0.74 H new ATOM 0 HG22 VAL A 45 -0.263 8.791 -0.360 1.00 0.74 H new ATOM 0 HG23 VAL A 45 -0.228 9.967 -1.695 1.00 0.74 H new ATOM 713 N ILE A 46 1.970 6.212 -0.709 1.00 0.39 N ATOM 714 CA ILE A 46 2.595 5.973 0.641 1.00 0.63 C ATOM 715 C ILE A 46 4.122 5.884 0.514 1.00 0.48 C ATOM 716 O ILE A 46 4.831 6.031 1.492 1.00 0.63 O ATOM 717 CB ILE A 46 2.048 4.697 1.363 1.00 1.16 C ATOM 718 CG1 ILE A 46 0.923 4.015 0.524 1.00 1.08 C ATOM 719 CG2 ILE A 46 1.537 5.129 2.747 1.00 2.99 C ATOM 720 CD1 ILE A 46 0.017 3.071 1.343 1.00 1.30 C ATOM 0 H ILE A 46 1.745 5.373 -1.244 1.00 0.39 H new ATOM 0 HA ILE A 46 2.319 6.827 1.259 1.00 0.63 H new ATOM 0 HB ILE A 46 2.839 3.956 1.474 1.00 1.16 H new ATOM 0 HG12 ILE A 46 0.306 4.788 0.066 1.00 1.08 H new ATOM 0 HG13 ILE A 46 1.381 3.450 -0.288 1.00 1.08 H new ATOM 0 HG21 ILE A 46 1.148 4.261 3.278 1.00 2.99 H new ATOM 0 HG22 ILE A 46 2.357 5.566 3.317 1.00 2.99 H new ATOM 0 HG23 ILE A 46 0.744 5.867 2.628 1.00 2.99 H new ATOM 0 HD11 ILE A 46 -0.740 2.636 0.690 1.00 1.30 H new ATOM 0 HD12 ILE A 46 0.621 2.275 1.780 1.00 1.30 H new ATOM 0 HD13 ILE A 46 -0.471 3.634 2.138 1.00 1.30 H new ATOM 732 N ALA A 47 4.638 5.661 -0.671 1.00 0.51 N ATOM 733 CA ALA A 47 6.121 5.581 -0.833 1.00 0.48 C ATOM 734 C ALA A 47 6.714 6.977 -0.652 1.00 0.46 C ATOM 735 O ALA A 47 7.675 7.155 0.075 1.00 0.59 O ATOM 736 CB ALA A 47 6.458 5.025 -2.212 1.00 0.59 C ATOM 0 H ALA A 47 4.099 5.532 -1.527 1.00 0.51 H new ATOM 0 HA ALA A 47 6.545 4.914 -0.083 1.00 0.48 H new ATOM 0 HB1 ALA A 47 7.540 4.968 -2.327 1.00 0.59 H new ATOM 0 HB2 ALA A 47 6.029 4.029 -2.317 1.00 0.59 H new ATOM 0 HB3 ALA A 47 6.046 5.680 -2.979 1.00 0.59 H new ATOM 742 N LYS A 48 6.123 7.978 -1.261 1.00 0.47 N ATOM 743 CA LYS A 48 6.633 9.370 -1.062 1.00 0.63 C ATOM 744 C LYS A 48 6.335 9.748 0.395 1.00 0.63 C ATOM 745 O LYS A 48 7.104 10.414 1.057 1.00 0.77 O ATOM 746 CB LYS A 48 5.927 10.338 -2.026 1.00 0.80 C ATOM 747 CG LYS A 48 4.414 10.335 -1.777 1.00 2.23 C ATOM 748 CD LYS A 48 3.692 10.876 -3.013 1.00 2.53 C ATOM 749 CE LYS A 48 3.810 12.401 -3.046 1.00 3.19 C ATOM 750 NZ LYS A 48 2.731 13.001 -2.210 1.00 4.86 N ATOM 0 H LYS A 48 5.318 7.892 -1.881 1.00 0.47 H new ATOM 0 HA LYS A 48 7.702 9.429 -1.266 1.00 0.63 H new ATOM 0 HB2 LYS A 48 6.321 11.345 -1.893 1.00 0.80 H new ATOM 0 HB3 LYS A 48 6.133 10.049 -3.057 1.00 0.80 H new ATOM 0 HG2 LYS A 48 4.073 9.323 -1.557 1.00 2.23 H new ATOM 0 HG3 LYS A 48 4.177 10.947 -0.907 1.00 2.23 H new ATOM 0 HD2 LYS A 48 4.125 10.447 -3.917 1.00 2.53 H new ATOM 0 HD3 LYS A 48 2.643 10.582 -2.992 1.00 2.53 H new ATOM 0 HE2 LYS A 48 4.787 12.709 -2.674 1.00 3.19 H new ATOM 0 HE3 LYS A 48 3.732 12.760 -4.072 1.00 3.19 H new ATOM 0 HZ1 LYS A 48 2.811 14.038 -2.232 1.00 4.86 H new ATOM 0 HZ2 LYS A 48 1.803 12.717 -2.584 1.00 4.86 H new ATOM 0 HZ3 LYS A 48 2.825 12.667 -1.230 1.00 4.86 H new ATOM 764 N TYR A 49 5.227 9.263 0.897 1.00 0.61 N ATOM 765 CA TYR A 49 4.838 9.499 2.316 1.00 0.72 C ATOM 766 C TYR A 49 5.919 8.864 3.202 1.00 0.66 C ATOM 767 O TYR A 49 6.610 7.976 2.740 1.00 0.72 O ATOM 768 CB TYR A 49 3.496 8.754 2.539 1.00 1.03 C ATOM 769 CG TYR A 49 2.571 9.429 3.542 1.00 0.99 C ATOM 770 CD1 TYR A 49 2.609 10.807 3.746 1.00 2.54 C ATOM 771 CD2 TYR A 49 1.642 8.651 4.247 1.00 1.81 C ATOM 772 CE1 TYR A 49 1.732 11.414 4.652 1.00 2.83 C ATOM 773 CE2 TYR A 49 0.766 9.254 5.157 1.00 1.97 C ATOM 774 CZ TYR A 49 0.813 10.636 5.360 1.00 1.78 C ATOM 775 OH TYR A 49 -0.052 11.233 6.255 1.00 2.30 O ATOM 0 H TYR A 49 4.562 8.700 0.367 1.00 0.61 H new ATOM 0 HA TYR A 49 4.737 10.559 2.549 1.00 0.72 H new ATOM 0 HB2 TYR A 49 2.978 8.667 1.584 1.00 1.03 H new ATOM 0 HB3 TYR A 49 3.707 7.741 2.880 1.00 1.03 H new ATOM 0 HD1 TYR A 49 3.320 11.411 3.201 1.00 2.54 H new ATOM 0 HD2 TYR A 49 1.602 7.584 4.088 1.00 1.81 H new ATOM 0 HE1 TYR A 49 1.766 12.483 4.804 1.00 2.83 H new ATOM 0 HE2 TYR A 49 0.054 8.652 5.702 1.00 1.97 H new ATOM 0 HH TYR A 49 0.259 12.141 6.455 1.00 2.30 H new ATOM 785 N PRO A 50 6.031 9.271 4.457 1.00 0.73 N ATOM 786 CA PRO A 50 7.012 8.650 5.350 1.00 0.84 C ATOM 787 C PRO A 50 6.613 7.179 5.577 1.00 1.01 C ATOM 788 O PRO A 50 7.371 6.418 6.140 1.00 1.27 O ATOM 789 CB PRO A 50 6.943 9.457 6.653 1.00 0.95 C ATOM 790 CG PRO A 50 5.932 10.606 6.429 1.00 0.97 C ATOM 791 CD PRO A 50 5.236 10.343 5.086 1.00 0.88 C ATOM 0 HA PRO A 50 8.025 8.655 4.947 1.00 0.84 H new ATOM 0 HB2 PRO A 50 6.627 8.823 7.481 1.00 0.95 H new ATOM 0 HB3 PRO A 50 7.925 9.854 6.912 1.00 0.95 H new ATOM 0 HG2 PRO A 50 5.204 10.641 7.239 1.00 0.97 H new ATOM 0 HG3 PRO A 50 6.441 11.570 6.416 1.00 0.97 H new ATOM 0 HD2 PRO A 50 4.200 10.036 5.230 1.00 0.88 H new ATOM 0 HD3 PRO A 50 5.219 11.239 4.466 1.00 0.88 H new ATOM 799 N HIS A 51 5.418 6.777 5.136 1.00 1.05 N ATOM 800 CA HIS A 51 4.960 5.360 5.302 1.00 1.39 C ATOM 801 C HIS A 51 5.215 4.851 6.727 1.00 1.13 C ATOM 802 O HIS A 51 5.424 5.621 7.645 1.00 1.60 O ATOM 803 CB HIS A 51 5.649 4.452 4.258 1.00 1.99 C ATOM 804 CG HIS A 51 7.117 4.287 4.555 1.00 1.61 C ATOM 805 ND1 HIS A 51 8.082 5.112 3.996 1.00 1.86 N ATOM 806 CD2 HIS A 51 7.798 3.398 5.347 1.00 2.97 C ATOM 807 CE1 HIS A 51 9.279 4.704 4.456 1.00 2.52 C ATOM 808 NE2 HIS A 51 9.163 3.662 5.284 1.00 3.47 N ATOM 0 H HIS A 51 4.748 7.386 4.667 1.00 1.05 H new ATOM 0 HA HIS A 51 3.883 5.329 5.135 1.00 1.39 H new ATOM 0 HB2 HIS A 51 5.166 3.475 4.249 1.00 1.99 H new ATOM 0 HB3 HIS A 51 5.523 4.879 3.263 1.00 1.99 H new ATOM 0 HD2 HIS A 51 7.343 2.612 5.931 1.00 2.97 H new ATOM 0 HE1 HIS A 51 10.219 5.163 4.188 1.00 2.52 H new ATOM 0 HE2 HIS A 51 9.913 3.167 5.766 1.00 3.47 H new ATOM 816 N LYS A 52 5.173 3.555 6.915 1.00 1.09 N ATOM 817 CA LYS A 52 5.384 2.967 8.270 1.00 1.04 C ATOM 818 C LYS A 52 4.419 3.627 9.266 1.00 0.99 C ATOM 819 O LYS A 52 4.790 4.523 9.999 1.00 1.66 O ATOM 820 CB LYS A 52 6.830 3.202 8.715 1.00 1.36 C ATOM 821 CG LYS A 52 7.101 2.442 10.018 1.00 1.92 C ATOM 822 CD LYS A 52 6.975 3.396 11.209 1.00 2.34 C ATOM 823 CE LYS A 52 8.015 3.033 12.271 1.00 3.09 C ATOM 824 NZ LYS A 52 8.026 4.076 13.336 1.00 3.92 N ATOM 0 H LYS A 52 4.999 2.873 6.177 1.00 1.09 H new ATOM 0 HA LYS A 52 5.192 1.895 8.236 1.00 1.04 H new ATOM 0 HB2 LYS A 52 7.518 2.868 7.938 1.00 1.36 H new ATOM 0 HB3 LYS A 52 7.007 4.268 8.861 1.00 1.36 H new ATOM 0 HG2 LYS A 52 6.395 1.618 10.123 1.00 1.92 H new ATOM 0 HG3 LYS A 52 8.099 2.005 9.994 1.00 1.92 H new ATOM 0 HD2 LYS A 52 7.120 4.425 10.880 1.00 2.34 H new ATOM 0 HD3 LYS A 52 5.972 3.335 11.632 1.00 2.34 H new ATOM 0 HE2 LYS A 52 7.784 2.060 12.703 1.00 3.09 H new ATOM 0 HE3 LYS A 52 9.002 2.953 11.816 1.00 3.09 H new ATOM 0 HZ1 LYS A 52 8.733 3.828 14.057 1.00 3.92 H new ATOM 0 HZ2 LYS A 52 8.266 4.997 12.917 1.00 3.92 H new ATOM 0 HZ3 LYS A 52 7.086 4.131 13.778 1.00 3.92 H new ATOM 838 N ILE A 53 3.182 3.203 9.272 1.00 1.39 N ATOM 839 CA ILE A 53 2.179 3.817 10.194 1.00 1.49 C ATOM 840 C ILE A 53 1.818 2.840 11.315 1.00 1.64 C ATOM 841 O ILE A 53 1.533 1.681 11.080 1.00 1.91 O ATOM 842 CB ILE A 53 0.917 4.184 9.405 1.00 1.54 C ATOM 843 CG1 ILE A 53 0.467 2.990 8.551 1.00 1.99 C ATOM 844 CG2 ILE A 53 1.219 5.373 8.492 1.00 1.59 C ATOM 845 CD1 ILE A 53 -1.062 2.974 8.433 1.00 2.56 C ATOM 0 H ILE A 53 2.822 2.457 8.677 1.00 1.39 H new ATOM 0 HA ILE A 53 2.609 4.715 10.637 1.00 1.49 H new ATOM 0 HB ILE A 53 0.122 4.446 10.103 1.00 1.54 H new ATOM 0 HG12 ILE A 53 0.916 3.052 7.560 1.00 1.99 H new ATOM 0 HG13 ILE A 53 0.815 2.060 9.000 1.00 1.99 H new ATOM 0 HG21 ILE A 53 0.323 5.636 7.929 1.00 1.59 H new ATOM 0 HG22 ILE A 53 1.532 6.225 9.096 1.00 1.59 H new ATOM 0 HG23 ILE A 53 2.017 5.106 7.799 1.00 1.59 H new ATOM 0 HD11 ILE A 53 -1.371 2.123 7.825 1.00 2.56 H new ATOM 0 HD12 ILE A 53 -1.503 2.890 9.426 1.00 2.56 H new ATOM 0 HD13 ILE A 53 -1.400 3.898 7.963 1.00 2.56 H new ATOM 857 N LYS A 54 1.826 3.312 12.536 1.00 1.73 N ATOM 858 CA LYS A 54 1.481 2.434 13.691 1.00 1.96 C ATOM 859 C LYS A 54 -0.024 2.519 13.966 1.00 1.80 C ATOM 860 O LYS A 54 -0.629 1.576 14.441 1.00 2.27 O ATOM 861 CB LYS A 54 2.251 2.901 14.928 1.00 2.47 C ATOM 862 CG LYS A 54 2.030 1.911 16.073 1.00 3.65 C ATOM 863 CD LYS A 54 3.028 2.198 17.196 1.00 4.11 C ATOM 864 CE LYS A 54 2.705 3.549 17.835 1.00 4.03 C ATOM 865 NZ LYS A 54 3.347 3.632 19.177 1.00 4.67 N ATOM 0 H LYS A 54 2.058 4.274 12.782 1.00 1.73 H new ATOM 0 HA LYS A 54 1.750 1.403 13.459 1.00 1.96 H new ATOM 0 HB2 LYS A 54 3.314 2.977 14.700 1.00 2.47 H new ATOM 0 HB3 LYS A 54 1.916 3.895 15.224 1.00 2.47 H new ATOM 0 HG2 LYS A 54 1.010 1.995 16.448 1.00 3.65 H new ATOM 0 HG3 LYS A 54 2.155 0.889 15.714 1.00 3.65 H new ATOM 0 HD2 LYS A 54 2.983 1.409 17.947 1.00 4.11 H new ATOM 0 HD3 LYS A 54 4.044 2.205 16.801 1.00 4.11 H new ATOM 0 HE2 LYS A 54 3.062 4.359 17.199 1.00 4.03 H new ATOM 0 HE3 LYS A 54 1.626 3.670 17.929 1.00 4.03 H new ATOM 0 HZ1 LYS A 54 3.127 4.551 19.611 1.00 4.67 H new ATOM 0 HZ2 LYS A 54 2.985 2.868 19.783 1.00 4.67 H new ATOM 0 HZ3 LYS A 54 4.377 3.535 19.075 1.00 4.67 H new ATOM 879 N SER A 55 -0.627 3.646 13.676 1.00 1.62 N ATOM 880 CA SER A 55 -2.090 3.805 13.923 1.00 1.86 C ATOM 881 C SER A 55 -2.884 3.147 12.788 1.00 1.69 C ATOM 882 O SER A 55 -3.374 2.042 12.929 1.00 2.84 O ATOM 883 CB SER A 55 -2.433 5.295 13.999 1.00 2.22 C ATOM 884 OG SER A 55 -1.917 5.835 15.208 1.00 3.25 O ATOM 0 H SER A 55 -0.166 4.464 13.278 1.00 1.62 H new ATOM 0 HA SER A 55 -2.353 3.323 14.865 1.00 1.86 H new ATOM 0 HB2 SER A 55 -2.011 5.821 13.143 1.00 2.22 H new ATOM 0 HB3 SER A 55 -3.513 5.434 13.957 1.00 2.22 H new ATOM 0 HG SER A 55 -2.134 6.789 15.259 1.00 3.25 H new ATOM 890 N GLY A 56 -3.018 3.816 11.668 1.00 1.51 N ATOM 891 CA GLY A 56 -3.782 3.229 10.527 1.00 1.36 C ATOM 892 C GLY A 56 -4.542 4.334 9.786 1.00 1.19 C ATOM 893 O GLY A 56 -4.805 4.229 8.602 1.00 1.28 O ATOM 0 H GLY A 56 -2.630 4.744 11.497 1.00 1.51 H new ATOM 0 HA2 GLY A 56 -3.100 2.723 9.843 1.00 1.36 H new ATOM 0 HA3 GLY A 56 -4.481 2.478 10.894 1.00 1.36 H new ATOM 897 N ALA A 57 -4.900 5.389 10.475 1.00 1.18 N ATOM 898 CA ALA A 57 -5.650 6.502 9.818 1.00 1.21 C ATOM 899 C ALA A 57 -4.758 7.233 8.802 1.00 1.06 C ATOM 900 O ALA A 57 -5.241 8.019 8.008 1.00 1.14 O ATOM 901 CB ALA A 57 -6.118 7.497 10.884 1.00 1.44 C ATOM 0 H ALA A 57 -4.704 5.527 11.466 1.00 1.18 H new ATOM 0 HA ALA A 57 -6.508 6.082 9.294 1.00 1.21 H new ATOM 0 HB1 ALA A 57 -6.665 8.310 10.407 1.00 1.44 H new ATOM 0 HB2 ALA A 57 -6.769 6.989 11.595 1.00 1.44 H new ATOM 0 HB3 ALA A 57 -5.253 7.901 11.409 1.00 1.44 H new ATOM 907 N GLU A 58 -3.467 6.991 8.819 1.00 0.94 N ATOM 908 CA GLU A 58 -2.559 7.683 7.853 1.00 0.90 C ATOM 909 C GLU A 58 -2.957 7.328 6.417 1.00 0.78 C ATOM 910 O GLU A 58 -2.970 8.173 5.543 1.00 0.81 O ATOM 911 CB GLU A 58 -1.117 7.240 8.107 1.00 0.99 C ATOM 912 CG GLU A 58 -0.452 8.210 9.086 1.00 1.68 C ATOM 913 CD GLU A 58 -0.735 7.760 10.521 1.00 2.11 C ATOM 914 OE1 GLU A 58 -0.408 6.629 10.841 1.00 3.12 O ATOM 915 OE2 GLU A 58 -1.273 8.554 11.274 1.00 3.07 O ATOM 0 H GLU A 58 -3.006 6.345 9.460 1.00 0.94 H new ATOM 0 HA GLU A 58 -2.642 8.761 7.990 1.00 0.90 H new ATOM 0 HB2 GLU A 58 -1.102 6.229 8.513 1.00 0.99 H new ATOM 0 HB3 GLU A 58 -0.562 7.215 7.169 1.00 0.99 H new ATOM 0 HG2 GLU A 58 0.623 8.242 8.909 1.00 1.68 H new ATOM 0 HG3 GLU A 58 -0.831 9.220 8.929 1.00 1.68 H new ATOM 922 N ALA A 59 -3.282 6.085 6.170 1.00 0.79 N ATOM 923 CA ALA A 59 -3.683 5.674 4.790 1.00 0.85 C ATOM 924 C ALA A 59 -5.052 6.276 4.444 1.00 0.89 C ATOM 925 O ALA A 59 -5.404 6.400 3.286 1.00 0.97 O ATOM 926 CB ALA A 59 -3.767 4.147 4.721 1.00 1.02 C ATOM 0 H ALA A 59 -3.287 5.337 6.863 1.00 0.79 H new ATOM 0 HA ALA A 59 -2.942 6.035 4.077 1.00 0.85 H new ATOM 0 HB1 ALA A 59 -4.059 3.844 3.716 1.00 1.02 H new ATOM 0 HB2 ALA A 59 -2.794 3.718 4.961 1.00 1.02 H new ATOM 0 HB3 ALA A 59 -4.507 3.791 5.437 1.00 1.02 H new ATOM 932 N LYS A 60 -5.829 6.642 5.436 1.00 0.98 N ATOM 933 CA LYS A 60 -7.177 7.225 5.168 1.00 1.16 C ATOM 934 C LYS A 60 -7.035 8.593 4.492 1.00 1.06 C ATOM 935 O LYS A 60 -7.607 8.835 3.446 1.00 1.08 O ATOM 936 CB LYS A 60 -7.930 7.388 6.489 1.00 1.50 C ATOM 937 CG LYS A 60 -8.151 6.015 7.124 1.00 1.98 C ATOM 938 CD LYS A 60 -9.415 5.379 6.540 1.00 1.77 C ATOM 939 CE LYS A 60 -10.052 4.459 7.583 1.00 2.46 C ATOM 940 NZ LYS A 60 -11.527 4.420 7.377 1.00 2.71 N ATOM 0 H LYS A 60 -5.584 6.561 6.423 1.00 0.98 H new ATOM 0 HA LYS A 60 -7.729 6.557 4.507 1.00 1.16 H new ATOM 0 HB2 LYS A 60 -7.363 8.027 7.166 1.00 1.50 H new ATOM 0 HB3 LYS A 60 -8.888 7.878 6.316 1.00 1.50 H new ATOM 0 HG2 LYS A 60 -7.289 5.374 6.938 1.00 1.98 H new ATOM 0 HG3 LYS A 60 -8.247 6.114 8.205 1.00 1.98 H new ATOM 0 HD2 LYS A 60 -10.121 6.154 6.244 1.00 1.77 H new ATOM 0 HD3 LYS A 60 -9.168 4.812 5.642 1.00 1.77 H new ATOM 0 HE2 LYS A 60 -9.636 3.455 7.500 1.00 2.46 H new ATOM 0 HE3 LYS A 60 -9.824 4.817 8.587 1.00 2.46 H new ATOM 0 HZ1 LYS A 60 -11.960 3.795 8.086 1.00 2.71 H new ATOM 0 HZ2 LYS A 60 -11.917 5.379 7.477 1.00 2.71 H new ATOM 0 HZ3 LYS A 60 -11.735 4.059 6.424 1.00 2.71 H new ATOM 954 N LYS A 61 -6.287 9.492 5.085 1.00 1.10 N ATOM 955 CA LYS A 61 -6.119 10.850 4.482 1.00 1.17 C ATOM 956 C LYS A 61 -5.481 10.729 3.095 1.00 1.01 C ATOM 957 O LYS A 61 -5.823 11.459 2.184 1.00 1.12 O ATOM 958 CB LYS A 61 -5.232 11.714 5.386 1.00 1.37 C ATOM 959 CG LYS A 61 -3.865 11.049 5.571 1.00 1.18 C ATOM 960 CD LYS A 61 -2.996 11.916 6.482 1.00 1.58 C ATOM 961 CE LYS A 61 -2.397 13.066 5.671 1.00 2.06 C ATOM 962 NZ LYS A 61 -2.229 14.258 6.550 1.00 2.65 N ATOM 0 H LYS A 61 -5.786 9.343 5.961 1.00 1.10 H new ATOM 0 HA LYS A 61 -7.098 11.320 4.385 1.00 1.17 H new ATOM 0 HB2 LYS A 61 -5.107 12.704 4.948 1.00 1.37 H new ATOM 0 HB3 LYS A 61 -5.712 11.853 6.355 1.00 1.37 H new ATOM 0 HG2 LYS A 61 -3.987 10.056 6.004 1.00 1.18 H new ATOM 0 HG3 LYS A 61 -3.379 10.917 4.604 1.00 1.18 H new ATOM 0 HD2 LYS A 61 -3.593 12.309 7.305 1.00 1.58 H new ATOM 0 HD3 LYS A 61 -2.201 11.315 6.923 1.00 1.58 H new ATOM 0 HE2 LYS A 61 -1.434 12.769 5.255 1.00 2.06 H new ATOM 0 HE3 LYS A 61 -3.046 13.309 4.830 1.00 2.06 H new ATOM 0 HZ1 LYS A 61 -1.822 15.041 5.999 1.00 2.65 H new ATOM 0 HZ2 LYS A 61 -3.155 14.545 6.927 1.00 2.65 H new ATOM 0 HZ3 LYS A 61 -1.593 14.021 7.338 1.00 2.65 H new ATOM 976 N LEU A 62 -4.558 9.814 2.930 1.00 0.90 N ATOM 977 CA LEU A 62 -3.896 9.643 1.602 1.00 0.86 C ATOM 978 C LEU A 62 -4.959 9.250 0.552 1.00 0.92 C ATOM 979 O LEU A 62 -5.513 8.173 0.640 1.00 1.13 O ATOM 980 CB LEU A 62 -2.846 8.532 1.695 1.00 0.91 C ATOM 981 CG LEU A 62 -1.811 8.887 2.767 1.00 1.16 C ATOM 982 CD1 LEU A 62 -0.936 7.664 3.065 1.00 1.31 C ATOM 983 CD2 LEU A 62 -0.931 10.039 2.269 1.00 1.35 C ATOM 0 H LEU A 62 -4.235 9.178 3.659 1.00 0.90 H new ATOM 0 HA LEU A 62 -3.415 10.577 1.310 1.00 0.86 H new ATOM 0 HB2 LEU A 62 -3.326 7.584 1.939 1.00 0.91 H new ATOM 0 HB3 LEU A 62 -2.355 8.401 0.731 1.00 0.91 H new ATOM 0 HG LEU A 62 -2.326 9.192 3.678 1.00 1.16 H new ATOM 0 HD11 LEU A 62 -0.201 7.920 3.828 1.00 1.31 H new ATOM 0 HD12 LEU A 62 -1.562 6.847 3.424 1.00 1.31 H new ATOM 0 HD13 LEU A 62 -0.422 7.354 2.155 1.00 1.31 H new ATOM 0 HD21 LEU A 62 -0.195 10.291 3.032 1.00 1.35 H new ATOM 0 HD22 LEU A 62 -0.418 9.737 1.356 1.00 1.35 H new ATOM 0 HD23 LEU A 62 -1.553 10.910 2.064 1.00 1.35 H new ATOM 995 N PRO A 63 -5.236 10.119 -0.414 1.00 1.07 N ATOM 996 CA PRO A 63 -6.247 9.813 -1.444 1.00 1.32 C ATOM 997 C PRO A 63 -5.838 8.569 -2.238 1.00 1.48 C ATOM 998 O PRO A 63 -4.727 8.469 -2.722 1.00 2.27 O ATOM 999 CB PRO A 63 -6.280 11.051 -2.354 1.00 1.60 C ATOM 1000 CG PRO A 63 -5.242 12.064 -1.810 1.00 1.66 C ATOM 1001 CD PRO A 63 -4.587 11.443 -0.568 1.00 1.31 C ATOM 0 HA PRO A 63 -7.225 9.602 -1.011 1.00 1.32 H new ATOM 0 HB2 PRO A 63 -6.044 10.776 -3.382 1.00 1.60 H new ATOM 0 HB3 PRO A 63 -7.277 11.492 -2.363 1.00 1.60 H new ATOM 0 HG2 PRO A 63 -4.491 12.285 -2.568 1.00 1.66 H new ATOM 0 HG3 PRO A 63 -5.726 13.007 -1.556 1.00 1.66 H new ATOM 0 HD2 PRO A 63 -3.510 11.342 -0.699 1.00 1.31 H new ATOM 0 HD3 PRO A 63 -4.744 12.065 0.314 1.00 1.31 H new ATOM 1009 N GLY A 64 -6.733 7.623 -2.374 1.00 1.81 N ATOM 1010 CA GLY A 64 -6.408 6.383 -3.138 1.00 2.05 C ATOM 1011 C GLY A 64 -6.294 5.196 -2.179 1.00 1.80 C ATOM 1012 O GLY A 64 -6.536 4.063 -2.552 1.00 2.16 O ATOM 0 H GLY A 64 -7.676 7.657 -1.988 1.00 1.81 H new ATOM 0 HA2 GLY A 64 -7.182 6.189 -3.880 1.00 2.05 H new ATOM 0 HA3 GLY A 64 -5.472 6.515 -3.681 1.00 2.05 H new ATOM 1016 N VAL A 65 -5.923 5.446 -0.947 1.00 1.52 N ATOM 1017 CA VAL A 65 -5.786 4.327 0.042 1.00 1.68 C ATOM 1018 C VAL A 65 -6.700 4.611 1.237 1.00 2.01 C ATOM 1019 O VAL A 65 -7.038 5.747 1.510 1.00 2.49 O ATOM 1020 CB VAL A 65 -4.326 4.190 0.543 1.00 1.58 C ATOM 1021 CG1 VAL A 65 -3.983 2.708 0.702 1.00 1.76 C ATOM 1022 CG2 VAL A 65 -3.333 4.819 -0.447 1.00 1.62 C ATOM 0 H VAL A 65 -5.709 6.374 -0.582 1.00 1.52 H new ATOM 0 HA VAL A 65 -6.066 3.395 -0.449 1.00 1.68 H new ATOM 0 HB VAL A 65 -4.247 4.711 1.497 1.00 1.58 H new ATOM 0 HG11 VAL A 65 -2.956 2.608 1.054 1.00 1.76 H new ATOM 0 HG12 VAL A 65 -4.661 2.253 1.425 1.00 1.76 H new ATOM 0 HG13 VAL A 65 -4.087 2.205 -0.259 1.00 1.76 H new ATOM 0 HG21 VAL A 65 -2.318 4.706 -0.066 1.00 1.62 H new ATOM 0 HG22 VAL A 65 -3.416 4.319 -1.412 1.00 1.62 H new ATOM 0 HG23 VAL A 65 -3.560 5.878 -0.566 1.00 1.62 H new ATOM 1032 N GLY A 66 -7.098 3.588 1.950 1.00 2.42 N ATOM 1033 CA GLY A 66 -7.989 3.794 3.131 1.00 2.99 C ATOM 1034 C GLY A 66 -9.365 3.190 2.847 1.00 2.44 C ATOM 1035 O GLY A 66 -10.381 3.732 3.237 1.00 3.45 O ATOM 0 H GLY A 66 -6.844 2.618 1.765 1.00 2.42 H new ATOM 0 HA2 GLY A 66 -7.552 3.329 4.015 1.00 2.99 H new ATOM 0 HA3 GLY A 66 -8.085 4.858 3.346 1.00 2.99 H new ATOM 1039 N THR A 67 -9.401 2.070 2.172 1.00 1.76 N ATOM 1040 CA THR A 67 -10.706 1.420 1.858 1.00 1.71 C ATOM 1041 C THR A 67 -10.514 -0.097 1.787 1.00 1.61 C ATOM 1042 O THR A 67 -11.095 -0.840 2.555 1.00 2.77 O ATOM 1043 CB THR A 67 -11.220 1.933 0.510 1.00 2.31 C ATOM 1044 OG1 THR A 67 -11.114 3.349 0.472 1.00 3.20 O ATOM 1045 CG2 THR A 67 -12.682 1.522 0.328 1.00 2.98 C ATOM 0 H THR A 67 -8.579 1.577 1.824 1.00 1.76 H new ATOM 0 HA THR A 67 -11.429 1.660 2.637 1.00 1.71 H new ATOM 0 HB THR A 67 -10.623 1.503 -0.294 1.00 2.31 H new ATOM 0 HG1 THR A 67 -11.441 3.678 -0.391 1.00 3.20 H new ATOM 0 HG21 THR A 67 -13.046 1.888 -0.632 1.00 2.98 H new ATOM 0 HG22 THR A 67 -12.761 0.435 0.355 1.00 2.98 H new ATOM 0 HG23 THR A 67 -13.283 1.949 1.131 1.00 2.98 H new ATOM 1053 N LYS A 68 -9.700 -0.554 0.872 1.00 1.23 N ATOM 1054 CA LYS A 68 -9.457 -2.021 0.740 1.00 1.09 C ATOM 1055 C LYS A 68 -7.957 -2.303 0.852 1.00 0.88 C ATOM 1056 O LYS A 68 -7.542 -3.258 1.482 1.00 0.93 O ATOM 1057 CB LYS A 68 -9.967 -2.501 -0.621 1.00 1.36 C ATOM 1058 CG LYS A 68 -11.400 -3.015 -0.477 1.00 2.17 C ATOM 1059 CD LYS A 68 -11.380 -4.526 -0.235 1.00 2.22 C ATOM 1060 CE LYS A 68 -12.543 -4.911 0.680 1.00 3.48 C ATOM 1061 NZ LYS A 68 -12.313 -6.278 1.229 1.00 4.45 N ATOM 0 H LYS A 68 -9.191 0.029 0.207 1.00 1.23 H new ATOM 0 HA LYS A 68 -9.985 -2.550 1.534 1.00 1.09 H new ATOM 0 HB2 LYS A 68 -9.933 -1.685 -1.342 1.00 1.36 H new ATOM 0 HB3 LYS A 68 -9.322 -3.292 -1.004 1.00 1.36 H new ATOM 0 HG2 LYS A 68 -11.897 -2.510 0.351 1.00 2.17 H new ATOM 0 HG3 LYS A 68 -11.971 -2.788 -1.377 1.00 2.17 H new ATOM 0 HD2 LYS A 68 -11.458 -5.058 -1.183 1.00 2.22 H new ATOM 0 HD3 LYS A 68 -10.434 -4.820 0.219 1.00 2.22 H new ATOM 0 HE2 LYS A 68 -12.633 -4.191 1.494 1.00 3.48 H new ATOM 0 HE3 LYS A 68 -13.481 -4.884 0.125 1.00 3.48 H new ATOM 0 HZ1 LYS A 68 -13.104 -6.540 1.851 1.00 4.45 H new ATOM 0 HZ2 LYS A 68 -12.248 -6.960 0.446 1.00 4.45 H new ATOM 0 HZ3 LYS A 68 -11.427 -6.289 1.773 1.00 4.45 H new ATOM 1075 N ILE A 69 -7.144 -1.476 0.244 1.00 0.79 N ATOM 1076 CA ILE A 69 -5.666 -1.684 0.307 1.00 0.64 C ATOM 1077 C ILE A 69 -5.159 -1.399 1.724 1.00 0.55 C ATOM 1078 O ILE A 69 -4.128 -1.900 2.131 1.00 0.56 O ATOM 1079 CB ILE A 69 -4.976 -0.734 -0.679 1.00 0.64 C ATOM 1080 CG1 ILE A 69 -5.579 -0.911 -2.082 1.00 0.86 C ATOM 1081 CG2 ILE A 69 -3.474 -1.032 -0.720 1.00 0.71 C ATOM 1082 CD1 ILE A 69 -5.367 -2.347 -2.585 1.00 1.85 C ATOM 0 H ILE A 69 -7.442 -0.663 -0.295 1.00 0.79 H new ATOM 0 HA ILE A 69 -5.438 -2.717 0.045 1.00 0.64 H new ATOM 0 HB ILE A 69 -5.129 0.294 -0.351 1.00 0.64 H new ATOM 0 HG12 ILE A 69 -6.644 -0.682 -2.057 1.00 0.86 H new ATOM 0 HG13 ILE A 69 -5.118 -0.206 -2.774 1.00 0.86 H new ATOM 0 HG21 ILE A 69 -2.988 -0.355 -1.422 1.00 0.71 H new ATOM 0 HG22 ILE A 69 -3.048 -0.892 0.274 1.00 0.71 H new ATOM 0 HG23 ILE A 69 -3.316 -2.062 -1.041 1.00 0.71 H new ATOM 0 HD11 ILE A 69 -5.801 -2.452 -3.579 1.00 1.85 H new ATOM 0 HD12 ILE A 69 -4.300 -2.563 -2.630 1.00 1.85 H new ATOM 0 HD13 ILE A 69 -5.850 -3.047 -1.903 1.00 1.85 H new ATOM 1094 N ALA A 70 -5.872 -0.597 2.480 1.00 0.59 N ATOM 1095 CA ALA A 70 -5.430 -0.274 3.872 1.00 0.66 C ATOM 1096 C ALA A 70 -5.281 -1.565 4.685 1.00 0.69 C ATOM 1097 O ALA A 70 -4.486 -1.638 5.604 1.00 0.77 O ATOM 1098 CB ALA A 70 -6.470 0.629 4.537 1.00 0.83 C ATOM 0 H ALA A 70 -6.743 -0.152 2.191 1.00 0.59 H new ATOM 0 HA ALA A 70 -4.468 0.238 3.834 1.00 0.66 H new ATOM 0 HB1 ALA A 70 -6.150 0.866 5.552 1.00 0.83 H new ATOM 0 HB2 ALA A 70 -6.571 1.551 3.964 1.00 0.83 H new ATOM 0 HB3 ALA A 70 -7.431 0.115 4.570 1.00 0.83 H new ATOM 1104 N GLU A 71 -6.037 -2.579 4.349 1.00 0.72 N ATOM 1105 CA GLU A 71 -5.942 -3.868 5.095 1.00 0.87 C ATOM 1106 C GLU A 71 -4.557 -4.482 4.869 1.00 0.83 C ATOM 1107 O GLU A 71 -3.951 -5.015 5.779 1.00 0.90 O ATOM 1108 CB GLU A 71 -7.017 -4.832 4.590 1.00 1.00 C ATOM 1109 CG GLU A 71 -8.395 -4.343 5.042 1.00 1.69 C ATOM 1110 CD GLU A 71 -8.537 -4.545 6.551 1.00 1.99 C ATOM 1111 OE1 GLU A 71 -8.858 -5.651 6.954 1.00 2.54 O ATOM 1112 OE2 GLU A 71 -8.325 -3.589 7.280 1.00 3.23 O ATOM 0 H GLU A 71 -6.717 -2.569 3.589 1.00 0.72 H new ATOM 0 HA GLU A 71 -6.092 -3.686 6.159 1.00 0.87 H new ATOM 0 HB2 GLU A 71 -6.981 -4.896 3.502 1.00 1.00 H new ATOM 0 HB3 GLU A 71 -6.831 -5.835 4.975 1.00 1.00 H new ATOM 0 HG2 GLU A 71 -8.519 -3.289 4.792 1.00 1.69 H new ATOM 0 HG3 GLU A 71 -9.177 -4.890 4.516 1.00 1.69 H new ATOM 1119 N LYS A 72 -4.055 -4.406 3.662 1.00 0.78 N ATOM 1120 CA LYS A 72 -2.708 -4.979 3.368 1.00 0.82 C ATOM 1121 C LYS A 72 -1.638 -4.149 4.079 1.00 0.76 C ATOM 1122 O LYS A 72 -0.652 -4.676 4.566 1.00 0.84 O ATOM 1123 CB LYS A 72 -2.458 -4.951 1.857 1.00 0.87 C ATOM 1124 CG LYS A 72 -3.494 -5.829 1.136 1.00 1.61 C ATOM 1125 CD LYS A 72 -2.783 -6.889 0.287 1.00 1.60 C ATOM 1126 CE LYS A 72 -3.700 -8.100 0.110 1.00 2.18 C ATOM 1127 NZ LYS A 72 -2.873 -9.325 -0.088 1.00 2.53 N ATOM 0 H LYS A 72 -4.522 -3.971 2.866 1.00 0.78 H new ATOM 0 HA LYS A 72 -2.665 -6.009 3.722 1.00 0.82 H new ATOM 0 HB2 LYS A 72 -2.518 -3.927 1.489 1.00 0.87 H new ATOM 0 HB3 LYS A 72 -1.452 -5.309 1.640 1.00 0.87 H new ATOM 0 HG2 LYS A 72 -4.144 -6.312 1.865 1.00 1.61 H new ATOM 0 HG3 LYS A 72 -4.130 -5.210 0.503 1.00 1.61 H new ATOM 0 HD2 LYS A 72 -2.519 -6.474 -0.686 1.00 1.60 H new ATOM 0 HD3 LYS A 72 -1.853 -7.191 0.768 1.00 1.60 H new ATOM 0 HE2 LYS A 72 -4.339 -8.217 0.986 1.00 2.18 H new ATOM 0 HE3 LYS A 72 -4.357 -7.950 -0.746 1.00 2.18 H new ATOM 0 HZ1 LYS A 72 -3.496 -10.149 -0.208 1.00 2.53 H new ATOM 0 HZ2 LYS A 72 -2.282 -9.211 -0.936 1.00 2.53 H new ATOM 0 HZ3 LYS A 72 -2.264 -9.470 0.742 1.00 2.53 H new ATOM 1141 N ILE A 73 -1.826 -2.852 4.149 1.00 0.68 N ATOM 1142 CA ILE A 73 -0.821 -1.985 4.834 1.00 0.67 C ATOM 1143 C ILE A 73 -0.723 -2.394 6.303 1.00 0.74 C ATOM 1144 O ILE A 73 0.324 -2.298 6.912 1.00 0.75 O ATOM 1145 CB ILE A 73 -1.229 -0.515 4.722 1.00 0.66 C ATOM 1146 CG1 ILE A 73 -1.454 -0.171 3.239 1.00 0.78 C ATOM 1147 CG2 ILE A 73 -0.106 0.358 5.300 1.00 0.74 C ATOM 1148 CD1 ILE A 73 -1.700 1.333 3.070 1.00 1.63 C ATOM 0 H ILE A 73 -2.631 -2.360 3.762 1.00 0.68 H new ATOM 0 HA ILE A 73 0.151 -2.110 4.357 1.00 0.67 H new ATOM 0 HB ILE A 73 -2.149 -0.333 5.277 1.00 0.66 H new ATOM 0 HG12 ILE A 73 -0.585 -0.472 2.654 1.00 0.78 H new ATOM 0 HG13 ILE A 73 -2.307 -0.731 2.855 1.00 0.78 H new ATOM 0 HG21 ILE A 73 -0.387 1.409 5.225 1.00 0.74 H new ATOM 0 HG22 ILE A 73 0.054 0.099 6.347 1.00 0.74 H new ATOM 0 HG23 ILE A 73 0.813 0.187 4.739 1.00 0.74 H new ATOM 0 HD11 ILE A 73 -1.857 1.560 2.016 1.00 1.63 H new ATOM 0 HD12 ILE A 73 -2.583 1.623 3.639 1.00 1.63 H new ATOM 0 HD13 ILE A 73 -0.835 1.886 3.435 1.00 1.63 H new ATOM 1160 N ASP A 74 -1.802 -2.872 6.865 1.00 0.91 N ATOM 1161 CA ASP A 74 -1.774 -3.315 8.287 1.00 1.05 C ATOM 1162 C ASP A 74 -1.120 -4.699 8.363 1.00 1.13 C ATOM 1163 O ASP A 74 -0.549 -5.069 9.369 1.00 1.26 O ATOM 1164 CB ASP A 74 -3.204 -3.394 8.828 1.00 1.16 C ATOM 1165 CG ASP A 74 -3.747 -1.981 9.047 1.00 1.62 C ATOM 1166 OD1 ASP A 74 -3.552 -1.152 8.173 1.00 2.94 O ATOM 1167 OD2 ASP A 74 -4.348 -1.753 10.084 1.00 2.14 O ATOM 0 H ASP A 74 -2.703 -2.974 6.398 1.00 0.91 H new ATOM 0 HA ASP A 74 -1.204 -2.603 8.884 1.00 1.05 H new ATOM 0 HB2 ASP A 74 -3.840 -3.934 8.127 1.00 1.16 H new ATOM 0 HB3 ASP A 74 -3.219 -3.950 9.765 1.00 1.16 H new ATOM 1172 N GLU A 75 -1.201 -5.465 7.299 1.00 1.11 N ATOM 1173 CA GLU A 75 -0.592 -6.829 7.292 1.00 1.25 C ATOM 1174 C GLU A 75 0.911 -6.737 7.574 1.00 1.25 C ATOM 1175 O GLU A 75 1.448 -7.511 8.344 1.00 1.34 O ATOM 1176 CB GLU A 75 -0.809 -7.473 5.920 1.00 1.30 C ATOM 1177 CG GLU A 75 -0.905 -8.992 6.081 1.00 1.76 C ATOM 1178 CD GLU A 75 -1.655 -9.586 4.887 1.00 2.53 C ATOM 1179 OE1 GLU A 75 -2.871 -9.648 4.948 1.00 2.83 O ATOM 1180 OE2 GLU A 75 -0.999 -9.970 3.932 1.00 3.86 O ATOM 0 H GLU A 75 -1.667 -5.199 6.431 1.00 1.11 H new ATOM 0 HA GLU A 75 -1.064 -7.434 8.066 1.00 1.25 H new ATOM 0 HB2 GLU A 75 -1.721 -7.086 5.465 1.00 1.30 H new ATOM 0 HB3 GLU A 75 0.014 -7.218 5.252 1.00 1.30 H new ATOM 0 HG2 GLU A 75 0.093 -9.425 6.149 1.00 1.76 H new ATOM 0 HG3 GLU A 75 -1.423 -9.238 7.008 1.00 1.76 H new ATOM 1187 N PHE A 76 1.594 -5.799 6.961 1.00 1.20 N ATOM 1188 CA PHE A 76 3.073 -5.672 7.213 1.00 1.26 C ATOM 1189 C PHE A 76 3.267 -4.845 8.480 1.00 1.17 C ATOM 1190 O PHE A 76 4.179 -5.068 9.255 1.00 1.19 O ATOM 1191 CB PHE A 76 3.839 -4.960 6.054 1.00 1.56 C ATOM 1192 CG PHE A 76 2.971 -4.705 4.840 1.00 1.22 C ATOM 1193 CD1 PHE A 76 2.302 -5.759 4.215 1.00 2.27 C ATOM 1194 CD2 PHE A 76 2.841 -3.401 4.345 1.00 1.90 C ATOM 1195 CE1 PHE A 76 1.503 -5.512 3.095 1.00 2.36 C ATOM 1196 CE2 PHE A 76 2.044 -3.155 3.225 1.00 2.19 C ATOM 1197 CZ PHE A 76 1.372 -4.210 2.598 1.00 1.77 C ATOM 0 H PHE A 76 1.202 -5.123 6.306 1.00 1.20 H new ATOM 0 HA PHE A 76 3.475 -6.681 7.300 1.00 1.26 H new ATOM 0 HB2 PHE A 76 4.235 -4.011 6.416 1.00 1.56 H new ATOM 0 HB3 PHE A 76 4.693 -5.571 5.761 1.00 1.56 H new ATOM 0 HD1 PHE A 76 2.402 -6.764 4.597 1.00 2.27 H new ATOM 0 HD2 PHE A 76 3.357 -2.586 4.830 1.00 1.90 H new ATOM 0 HE1 PHE A 76 0.986 -6.328 2.612 1.00 2.36 H new ATOM 0 HE2 PHE A 76 1.946 -2.150 2.843 1.00 2.19 H new ATOM 0 HZ PHE A 76 0.754 -4.020 1.733 1.00 1.77 H new ATOM 1207 N LEU A 77 2.426 -3.867 8.668 1.00 1.24 N ATOM 1208 CA LEU A 77 2.541 -2.973 9.851 1.00 1.35 C ATOM 1209 C LEU A 77 1.690 -3.504 11.015 1.00 1.32 C ATOM 1210 O LEU A 77 1.284 -2.753 11.881 1.00 1.66 O ATOM 1211 CB LEU A 77 2.059 -1.572 9.448 1.00 1.60 C ATOM 1212 CG LEU A 77 3.117 -0.858 8.582 1.00 1.40 C ATOM 1213 CD1 LEU A 77 4.403 -0.673 9.390 1.00 2.21 C ATOM 1214 CD2 LEU A 77 3.434 -1.672 7.322 1.00 3.01 C ATOM 0 H LEU A 77 1.652 -3.647 8.041 1.00 1.24 H new ATOM 0 HA LEU A 77 3.579 -2.935 10.181 1.00 1.35 H new ATOM 0 HB2 LEU A 77 1.122 -1.649 8.896 1.00 1.60 H new ATOM 0 HB3 LEU A 77 1.855 -0.982 10.341 1.00 1.60 H new ATOM 0 HG LEU A 77 2.716 0.111 8.285 1.00 1.40 H new ATOM 0 HD11 LEU A 77 5.149 -0.168 8.776 1.00 2.21 H new ATOM 0 HD12 LEU A 77 4.194 -0.071 10.274 1.00 2.21 H new ATOM 0 HD13 LEU A 77 4.784 -1.647 9.696 1.00 2.21 H new ATOM 0 HD21 LEU A 77 4.183 -1.147 6.728 1.00 3.01 H new ATOM 0 HD22 LEU A 77 3.819 -2.651 7.608 1.00 3.01 H new ATOM 0 HD23 LEU A 77 2.526 -1.798 6.732 1.00 3.01 H new ATOM 1226 N ALA A 78 1.413 -4.787 11.043 1.00 1.17 N ATOM 1227 CA ALA A 78 0.587 -5.358 12.150 1.00 1.20 C ATOM 1228 C ALA A 78 1.490 -5.799 13.306 1.00 1.44 C ATOM 1229 O ALA A 78 1.064 -5.854 14.445 1.00 1.80 O ATOM 1230 CB ALA A 78 -0.196 -6.565 11.631 1.00 1.34 C ATOM 0 H ALA A 78 1.725 -5.462 10.345 1.00 1.17 H new ATOM 0 HA ALA A 78 -0.105 -4.595 12.507 1.00 1.20 H new ATOM 0 HB1 ALA A 78 -0.799 -6.982 12.438 1.00 1.34 H new ATOM 0 HB2 ALA A 78 -0.848 -6.252 10.815 1.00 1.34 H new ATOM 0 HB3 ALA A 78 0.500 -7.322 11.269 1.00 1.34 H new ATOM 1236 N THR A 79 2.729 -6.120 13.023 1.00 1.64 N ATOM 1237 CA THR A 79 3.658 -6.565 14.104 1.00 2.17 C ATOM 1238 C THR A 79 4.520 -5.387 14.560 1.00 3.13 C ATOM 1239 O THR A 79 5.645 -5.562 14.989 1.00 3.77 O ATOM 1240 CB THR A 79 4.560 -7.682 13.574 1.00 2.89 C ATOM 1241 OG1 THR A 79 5.054 -7.320 12.292 1.00 4.23 O ATOM 1242 CG2 THR A 79 3.759 -8.980 13.467 1.00 3.05 C ATOM 0 H THR A 79 3.136 -6.092 12.088 1.00 1.64 H new ATOM 0 HA THR A 79 3.077 -6.935 14.949 1.00 2.17 H new ATOM 0 HB THR A 79 5.396 -7.830 14.258 1.00 2.89 H new ATOM 0 HG1 THR A 79 5.633 -8.033 11.951 1.00 4.23 H new ATOM 0 HG21 THR A 79 4.403 -9.775 13.089 1.00 3.05 H new ATOM 0 HG22 THR A 79 3.381 -9.256 14.451 1.00 3.05 H new ATOM 0 HG23 THR A 79 2.922 -8.836 12.784 1.00 3.05 H new ATOM 1250 N GLY A 80 3.998 -4.189 14.474 1.00 3.97 N ATOM 1251 CA GLY A 80 4.780 -2.994 14.905 1.00 5.47 C ATOM 1252 C GLY A 80 4.281 -2.523 16.274 1.00 6.84 C ATOM 1253 O GLY A 80 4.370 -1.356 16.606 1.00 8.23 O ATOM 0 H GLY A 80 3.062 -3.989 14.123 1.00 3.97 H new ATOM 0 HA2 GLY A 80 5.841 -3.240 14.958 1.00 5.47 H new ATOM 0 HA3 GLY A 80 4.674 -2.194 14.173 1.00 5.47 H new ATOM 1257 N LYS A 81 3.758 -3.424 17.069 1.00 6.79 N ATOM 1258 CA LYS A 81 3.251 -3.035 18.418 1.00 8.41 C ATOM 1259 C LYS A 81 3.378 -4.221 19.376 1.00 8.84 C ATOM 1260 O LYS A 81 2.562 -5.123 19.369 1.00 8.85 O ATOM 1261 CB LYS A 81 1.780 -2.624 18.311 1.00 8.82 C ATOM 1262 CG LYS A 81 1.674 -1.289 17.572 1.00 9.49 C ATOM 1263 CD LYS A 81 0.207 -0.860 17.501 1.00 10.59 C ATOM 1264 CE LYS A 81 -0.492 -1.618 16.370 1.00 10.63 C ATOM 1265 NZ LYS A 81 -1.952 -1.323 16.404 1.00 12.07 N ATOM 0 H LYS A 81 3.661 -4.413 16.840 1.00 6.79 H new ATOM 0 HA LYS A 81 3.838 -2.198 18.797 1.00 8.41 H new ATOM 0 HB2 LYS A 81 1.215 -3.391 17.781 1.00 8.82 H new ATOM 0 HB3 LYS A 81 1.343 -2.537 19.306 1.00 8.82 H new ATOM 0 HG2 LYS A 81 2.262 -0.529 18.086 1.00 9.49 H new ATOM 0 HG3 LYS A 81 2.085 -1.384 16.567 1.00 9.49 H new ATOM 0 HD2 LYS A 81 -0.289 -1.063 18.450 1.00 10.59 H new ATOM 0 HD3 LYS A 81 0.139 0.214 17.330 1.00 10.59 H new ATOM 0 HE2 LYS A 81 -0.073 -1.324 15.408 1.00 10.63 H new ATOM 0 HE3 LYS A 81 -0.324 -2.690 16.477 1.00 10.63 H new ATOM 0 HZ1 LYS A 81 -2.428 -1.838 15.636 1.00 12.07 H new ATOM 0 HZ2 LYS A 81 -2.346 -1.624 17.318 1.00 12.07 H new ATOM 0 HZ3 LYS A 81 -2.103 -0.301 16.282 1.00 12.07 H new ATOM 1279 N LEU A 82 4.394 -4.222 20.203 1.00 9.58 N ATOM 1280 CA LEU A 82 4.577 -5.345 21.169 1.00 10.37 C ATOM 1281 C LEU A 82 3.585 -5.183 22.324 1.00 11.75 C ATOM 1282 O LEU A 82 2.876 -4.198 22.408 1.00 12.49 O ATOM 1283 CB LEU A 82 6.005 -5.319 21.718 1.00 11.03 C ATOM 1284 CG LEU A 82 6.921 -6.130 20.801 1.00 10.41 C ATOM 1285 CD1 LEU A 82 8.373 -5.963 21.253 1.00 11.42 C ATOM 1286 CD2 LEU A 82 6.533 -7.609 20.870 1.00 10.28 C ATOM 0 H LEU A 82 5.105 -3.492 20.250 1.00 9.58 H new ATOM 0 HA LEU A 82 4.400 -6.294 20.664 1.00 10.37 H new ATOM 0 HB2 LEU A 82 6.360 -4.291 21.787 1.00 11.03 H new ATOM 0 HB3 LEU A 82 6.025 -5.732 22.727 1.00 11.03 H new ATOM 0 HG LEU A 82 6.816 -5.774 19.776 1.00 10.41 H new ATOM 0 HD11 LEU A 82 9.026 -6.541 20.599 1.00 11.42 H new ATOM 0 HD12 LEU A 82 8.650 -4.910 21.204 1.00 11.42 H new ATOM 0 HD13 LEU A 82 8.478 -6.319 22.278 1.00 11.42 H new ATOM 0 HD21 LEU A 82 7.186 -8.187 20.216 1.00 10.28 H new ATOM 0 HD22 LEU A 82 6.638 -7.965 21.895 1.00 10.28 H new ATOM 0 HD23 LEU A 82 5.499 -7.729 20.548 1.00 10.28 H new ATOM 1298 N ARG A 83 3.533 -6.142 23.213 1.00 12.39 N ATOM 1299 CA ARG A 83 2.591 -6.048 24.366 1.00 13.95 C ATOM 1300 C ARG A 83 2.991 -4.862 25.250 1.00 15.33 C ATOM 1301 O ARG A 83 3.726 -3.988 24.829 1.00 15.60 O ATOM 1302 CB ARG A 83 2.648 -7.348 25.179 1.00 14.36 C ATOM 1303 CG ARG A 83 1.229 -7.782 25.561 1.00 15.00 C ATOM 1304 CD ARG A 83 1.296 -9.001 26.482 1.00 15.65 C ATOM 1305 NE ARG A 83 0.055 -9.064 27.316 1.00 16.83 N ATOM 1306 CZ ARG A 83 -0.273 -10.157 27.978 1.00 17.56 C ATOM 1307 NH1 ARG A 83 0.472 -11.237 27.936 1.00 17.34 N ATOM 1308 NH2 ARG A 83 -1.365 -10.162 28.693 1.00 18.76 N ATOM 0 H ARG A 83 4.104 -6.987 23.189 1.00 12.39 H new ATOM 0 HA ARG A 83 1.575 -5.899 24.001 1.00 13.95 H new ATOM 0 HB2 ARG A 83 3.134 -8.131 24.597 1.00 14.36 H new ATOM 0 HB3 ARG A 83 3.248 -7.200 26.077 1.00 14.36 H new ATOM 0 HG2 ARG A 83 0.710 -6.964 26.061 1.00 15.00 H new ATOM 0 HG3 ARG A 83 0.657 -8.022 24.664 1.00 15.00 H new ATOM 0 HD2 ARG A 83 1.397 -9.912 25.891 1.00 15.65 H new ATOM 0 HD3 ARG A 83 2.175 -8.938 27.123 1.00 15.65 H new ATOM 0 HE ARG A 83 -0.550 -8.245 27.374 1.00 16.83 H new ATOM 0 HH11 ARG A 83 1.328 -11.245 27.382 1.00 17.34 H new ATOM 0 HH12 ARG A 83 0.195 -12.068 28.458 1.00 17.34 H new ATOM 0 HH21 ARG A 83 -1.951 -9.328 28.734 1.00 18.76 H new ATOM 0 HH22 ARG A 83 -1.632 -10.999 29.210 1.00 18.76 H new ATOM 1322 N LYS A 84 2.512 -4.824 26.470 1.00 16.46 N ATOM 1323 CA LYS A 84 2.858 -3.694 27.388 1.00 18.01 C ATOM 1324 C LYS A 84 2.402 -2.368 26.771 1.00 18.75 C ATOM 1325 O LYS A 84 3.189 -1.633 26.205 1.00 18.81 O ATOM 1326 CB LYS A 84 4.374 -3.660 27.616 1.00 18.23 C ATOM 1327 CG LYS A 84 4.838 -5.005 28.181 1.00 18.23 C ATOM 1328 CD LYS A 84 4.917 -4.920 29.707 1.00 19.47 C ATOM 1329 CE LYS A 84 3.597 -5.400 30.315 1.00 20.17 C ATOM 1330 NZ LYS A 84 3.822 -5.808 31.730 1.00 21.33 N ATOM 0 H LYS A 84 1.894 -5.530 26.871 1.00 16.46 H new ATOM 0 HA LYS A 84 2.352 -3.840 28.342 1.00 18.01 H new ATOM 0 HB2 LYS A 84 4.888 -3.451 26.678 1.00 18.23 H new ATOM 0 HB3 LYS A 84 4.630 -2.856 28.306 1.00 18.23 H new ATOM 0 HG2 LYS A 84 4.146 -5.793 27.886 1.00 18.23 H new ATOM 0 HG3 LYS A 84 5.813 -5.267 27.770 1.00 18.23 H new ATOM 0 HD2 LYS A 84 5.742 -5.531 30.073 1.00 19.47 H new ATOM 0 HD3 LYS A 84 5.119 -3.894 30.015 1.00 19.47 H new ATOM 0 HE2 LYS A 84 2.852 -4.605 30.268 1.00 20.17 H new ATOM 0 HE3 LYS A 84 3.204 -6.239 29.741 1.00 20.17 H new ATOM 0 HZ1 LYS A 84 2.925 -6.134 32.144 1.00 21.33 H new ATOM 0 HZ2 LYS A 84 4.519 -6.579 31.762 1.00 21.33 H new ATOM 0 HZ3 LYS A 84 4.179 -4.996 32.273 1.00 21.33 H new ATOM 1344 N LEU A 85 1.134 -2.061 26.879 1.00 19.60 N ATOM 1345 CA LEU A 85 0.615 -0.786 26.302 1.00 20.64 C ATOM 1346 C LEU A 85 0.692 0.319 27.357 1.00 22.20 C ATOM 1347 O LEU A 85 0.942 1.468 27.045 1.00 22.86 O ATOM 1348 CB LEU A 85 -0.840 -0.978 25.871 1.00 20.95 C ATOM 1349 CG LEU A 85 -0.904 -1.992 24.728 1.00 20.00 C ATOM 1350 CD1 LEU A 85 -2.333 -2.523 24.594 1.00 20.38 C ATOM 1351 CD2 LEU A 85 -0.489 -1.313 23.421 1.00 20.00 C ATOM 0 H LEU A 85 0.435 -2.641 27.343 1.00 19.60 H new ATOM 0 HA LEU A 85 1.217 -0.506 25.438 1.00 20.64 H new ATOM 0 HB2 LEU A 85 -1.437 -1.326 26.714 1.00 20.95 H new ATOM 0 HB3 LEU A 85 -1.264 -0.026 25.551 1.00 20.95 H new ATOM 0 HG LEU A 85 -0.228 -2.820 24.940 1.00 20.00 H new ATOM 0 HD11 LEU A 85 -2.378 -3.246 23.779 1.00 20.38 H new ATOM 0 HD12 LEU A 85 -2.630 -3.007 25.525 1.00 20.38 H new ATOM 0 HD13 LEU A 85 -3.010 -1.696 24.383 1.00 20.38 H new ATOM 0 HD21 LEU A 85 -0.534 -2.035 22.606 1.00 20.00 H new ATOM 0 HD22 LEU A 85 -1.166 -0.485 23.210 1.00 20.00 H new ATOM 0 HD23 LEU A 85 0.529 -0.935 23.515 1.00 20.00 H new ATOM 1363 N GLU A 86 0.481 -0.024 28.602 1.00 22.97 N ATOM 1364 CA GLU A 86 0.539 0.999 29.687 1.00 24.62 C ATOM 1365 C GLU A 86 1.169 0.380 30.936 1.00 25.24 C ATOM 1366 O GLU A 86 1.075 -0.811 31.162 1.00 24.82 O ATOM 1367 CB GLU A 86 -0.878 1.477 30.013 1.00 25.50 C ATOM 1368 CG GLU A 86 -1.765 0.272 30.327 1.00 25.28 C ATOM 1369 CD GLU A 86 -3.230 0.708 30.347 1.00 26.27 C ATOM 1370 OE1 GLU A 86 -3.648 1.358 29.401 1.00 26.38 O ATOM 1371 OE2 GLU A 86 -3.912 0.386 31.306 1.00 27.05 O ATOM 0 H GLU A 86 0.270 -0.972 28.914 1.00 22.97 H new ATOM 0 HA GLU A 86 1.141 1.846 29.358 1.00 24.62 H new ATOM 0 HB2 GLU A 86 -0.857 2.157 30.864 1.00 25.50 H new ATOM 0 HB3 GLU A 86 -1.288 2.034 29.170 1.00 25.50 H new ATOM 0 HG2 GLU A 86 -1.617 -0.507 29.579 1.00 25.28 H new ATOM 0 HG3 GLU A 86 -1.489 -0.155 31.291 1.00 25.28 H new ATOM 1378 N LYS A 87 1.810 1.184 31.748 1.00 26.42 N ATOM 1379 CA LYS A 87 2.453 0.655 32.992 1.00 27.29 C ATOM 1380 C LYS A 87 3.508 -0.390 32.623 1.00 26.79 C ATOM 1381 O LYS A 87 3.741 -0.577 31.440 1.00 26.17 O ATOM 1382 CB LYS A 87 1.390 0.012 33.888 1.00 27.94 C ATOM 1383 CG LYS A 87 0.260 1.012 34.143 1.00 28.94 C ATOM 1384 CD LYS A 87 0.706 2.027 35.197 1.00 30.29 C ATOM 1385 CE LYS A 87 0.402 1.479 36.593 1.00 31.21 C ATOM 1386 NZ LYS A 87 0.250 2.612 37.550 1.00 32.62 N ATOM 1387 OXT LYS A 87 4.066 -0.985 33.530 1.00 27.20 O ATOM 0 H LYS A 87 1.916 2.188 31.603 1.00 26.42 H new ATOM 0 HA LYS A 87 2.929 1.477 33.526 1.00 27.29 H new ATOM 0 HB2 LYS A 87 0.994 -0.886 33.413 1.00 27.94 H new ATOM 0 HB3 LYS A 87 1.836 -0.297 34.833 1.00 27.94 H new ATOM 0 HG2 LYS A 87 -0.002 1.524 33.217 1.00 28.94 H new ATOM 0 HG3 LYS A 87 -0.634 0.488 34.482 1.00 28.94 H new ATOM 0 HD2 LYS A 87 1.773 2.226 35.097 1.00 30.29 H new ATOM 0 HD3 LYS A 87 0.189 2.975 35.046 1.00 30.29 H new ATOM 0 HE2 LYS A 87 -0.510 0.883 36.571 1.00 31.21 H new ATOM 0 HE3 LYS A 87 1.206 0.819 36.919 1.00 31.21 H new ATOM 0 HZ1 LYS A 87 0.043 2.240 38.499 1.00 32.62 H new ATOM 0 HZ2 LYS A 87 1.132 3.163 37.579 1.00 32.62 H new ATOM 0 HZ3 LYS A 87 -0.531 3.225 37.241 1.00 32.62 H new TER 1401 LYS A 87