USER MOD reduce.3.24.130724 H: found=0, std=0, add=1104, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 1099 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 54 HIS : +bothHN:sc= -4.06! C(o=-8.9!,f=-17!) USER MOD Set 1.2: A 129 GLN : amide:sc= -4.84! C(o=-8.9!,f=-12!) USER MOD Set 2.1: A 47 CYS SG : rot -92:sc= 0.00694 USER MOD Set 2.2: A 49 THR OG1 : rot -150:sc= 0.0138 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 130:sc= -0.0871 USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= -0.0998 (180deg=-0.741) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 7:sc= -0.882 USER MOD Single : A 67 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-3.8!) USER MOD Single : A 74 THR OG1 : rot -42:sc= 0.765 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0458 USER MOD Single : A 102 TYR OH : rot -15:sc= -3.08 USER MOD Single : A 105 TYR OH : rot 130:sc= -0.0201 USER MOD Single : A 112 THR OG1 : rot -77:sc= 0.33 USER MOD Single : A 127 GLN : amide:sc= -1.67! K(o=-1.7!,f=-3.1) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.587 -5.006 6.480 1.00 0.00 N ATOM 2 CA MET A 1 12.378 -4.318 6.900 1.00 0.00 C ATOM 3 C MET A 1 11.529 -3.917 5.692 1.00 0.00 C ATOM 4 O MET A 1 12.035 -3.316 4.745 1.00 0.00 O ATOM 5 CB MET A 1 12.752 -3.069 7.699 1.00 0.00 C ATOM 6 CG MET A 1 12.364 -3.224 9.171 1.00 0.00 C ATOM 7 SD MET A 1 12.196 -1.617 9.931 1.00 0.00 S ATOM 8 CE MET A 1 13.449 -1.739 11.195 1.00 0.00 C ATOM 0 H1 MET A 1 14.146 -5.268 7.317 1.00 0.00 H new ATOM 0 H2 MET A 1 13.332 -5.865 5.952 1.00 0.00 H new ATOM 0 H3 MET A 1 14.149 -4.379 5.870 1.00 0.00 H new ATOM 0 HA MET A 1 11.794 -4.996 7.523 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.824 -2.889 7.619 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.250 -2.199 7.276 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.426 -3.774 9.252 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.121 -3.806 9.696 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.479 -0.812 11.768 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.215 -2.570 11.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.420 -1.909 10.730 1.00 0.00 H new ATOM 18 N VAL A 2 10.252 -4.264 5.764 1.00 0.00 N ATOM 19 CA VAL A 2 9.328 -3.947 4.688 1.00 0.00 C ATOM 20 C VAL A 2 9.879 -4.495 3.370 1.00 0.00 C ATOM 21 O VAL A 2 11.070 -4.785 3.264 1.00 0.00 O ATOM 22 CB VAL A 2 9.070 -2.440 4.648 1.00 0.00 C ATOM 23 CG1 VAL A 2 8.779 -1.895 6.047 1.00 0.00 C ATOM 24 CG2 VAL A 2 10.244 -1.700 4.004 1.00 0.00 C ATOM 0 H VAL A 2 9.835 -4.762 6.551 1.00 0.00 H new ATOM 0 HA VAL A 2 8.363 -4.424 4.860 1.00 0.00 H new ATOM 0 HB VAL A 2 8.187 -2.268 4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.599 -0.821 5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.897 -2.389 6.454 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.633 -2.085 6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.035 -0.630 3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.150 -1.884 4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.384 -2.058 2.984 1.00 0.00 H new ATOM 34 N PRO A 3 8.963 -4.624 2.374 1.00 0.00 N ATOM 35 CA PRO A 3 9.345 -5.132 1.067 1.00 0.00 C ATOM 36 C PRO A 3 10.114 -4.075 0.271 1.00 0.00 C ATOM 37 O PRO A 3 10.272 -2.944 0.726 1.00 0.00 O ATOM 38 CB PRO A 3 8.038 -5.539 0.406 1.00 0.00 C ATOM 39 CG PRO A 3 6.941 -4.819 1.173 1.00 0.00 C ATOM 40 CD PRO A 3 7.545 -4.290 2.464 1.00 0.00 C ATOM 0 HA PRO A 3 10.026 -5.981 1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.028 -5.257 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 3 7.899 -6.619 0.448 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.534 -4.001 0.579 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.116 -5.499 1.388 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.397 -3.214 2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.084 -4.753 3.336 1.00 0.00 H new ATOM 48 N PRO A 4 10.583 -4.493 -0.935 1.00 0.00 N ATOM 49 CA PRO A 4 11.332 -3.596 -1.798 1.00 0.00 C ATOM 50 C PRO A 4 10.404 -2.582 -2.472 1.00 0.00 C ATOM 51 O PRO A 4 10.598 -1.375 -2.341 1.00 0.00 O ATOM 52 CB PRO A 4 12.040 -4.504 -2.791 1.00 0.00 C ATOM 53 CG PRO A 4 11.301 -5.831 -2.741 1.00 0.00 C ATOM 54 CD PRO A 4 10.415 -5.826 -1.506 1.00 0.00 C ATOM 0 HA PRO A 4 12.053 -2.989 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.015 -4.080 -3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 4 13.089 -4.631 -2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.701 -5.968 -3.641 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.008 -6.660 -2.700 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.374 -6.018 -1.765 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.715 -6.600 -0.800 1.00 0.00 H new ATOM 62 N LYS A 5 9.416 -3.111 -3.178 1.00 0.00 N ATOM 63 CA LYS A 5 8.457 -2.268 -3.872 1.00 0.00 C ATOM 64 C LYS A 5 8.125 -1.056 -3.000 1.00 0.00 C ATOM 65 O LYS A 5 7.911 0.042 -3.512 1.00 0.00 O ATOM 66 CB LYS A 5 7.230 -3.081 -4.287 1.00 0.00 C ATOM 67 CG LYS A 5 7.632 -4.278 -5.151 1.00 0.00 C ATOM 68 CD LYS A 5 6.775 -4.353 -6.417 1.00 0.00 C ATOM 69 CE LYS A 5 7.189 -3.276 -7.423 1.00 0.00 C ATOM 70 NZ LYS A 5 6.123 -3.069 -8.428 1.00 0.00 N ATOM 0 H LYS A 5 9.259 -4.113 -3.285 1.00 0.00 H new ATOM 0 HA LYS A 5 8.886 -1.887 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.703 -3.430 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.538 -2.445 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.684 -4.197 -5.424 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.521 -5.198 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.876 -5.339 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.724 -4.228 -6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.391 -2.341 -6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.113 -3.570 -7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.420 -2.335 -9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.949 -3.959 -8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.250 -2.767 -7.951 1.00 0.00 H new ATOM 84 N LEU A 6 8.094 -1.295 -1.697 1.00 0.00 N ATOM 85 CA LEU A 6 7.792 -0.236 -0.749 1.00 0.00 C ATOM 86 C LEU A 6 9.068 0.552 -0.447 1.00 0.00 C ATOM 87 O LEU A 6 9.159 1.737 -0.765 1.00 0.00 O ATOM 88 CB LEU A 6 7.115 -0.811 0.498 1.00 0.00 C ATOM 89 CG LEU A 6 6.150 0.125 1.228 1.00 0.00 C ATOM 90 CD1 LEU A 6 6.711 0.538 2.590 1.00 0.00 C ATOM 91 CD2 LEU A 6 5.800 1.337 0.362 1.00 0.00 C ATOM 0 H LEU A 6 8.273 -2.206 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 6 7.077 0.466 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.570 -1.710 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.891 -1.120 1.199 1.00 0.00 H new ATOM 0 HG LEU A 6 5.223 -0.418 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.005 1.203 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.868 -0.349 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.660 1.055 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.113 1.986 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.709 1.889 0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.328 1.000 -0.561 1.00 0.00 H new ATOM 103 N LYS A 7 10.021 -0.138 0.162 1.00 0.00 N ATOM 104 CA LYS A 7 11.288 0.483 0.510 1.00 0.00 C ATOM 105 C LYS A 7 11.761 1.354 -0.656 1.00 0.00 C ATOM 106 O LYS A 7 12.393 2.388 -0.447 1.00 0.00 O ATOM 107 CB LYS A 7 12.305 -0.577 0.938 1.00 0.00 C ATOM 108 CG LYS A 7 13.315 0.002 1.930 1.00 0.00 C ATOM 109 CD LYS A 7 12.785 -0.079 3.363 1.00 0.00 C ATOM 110 CE LYS A 7 13.407 1.009 4.240 1.00 0.00 C ATOM 111 NZ LYS A 7 13.388 0.602 5.663 1.00 0.00 N ATOM 0 H LYS A 7 9.941 -1.121 0.423 1.00 0.00 H new ATOM 0 HA LYS A 7 11.166 1.140 1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.786 -1.421 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.829 -0.959 0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.256 -0.542 1.855 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.526 1.040 1.675 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.700 0.027 3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.008 -1.060 3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.433 1.197 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.858 1.943 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.814 1.352 6.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.406 0.445 5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.931 -0.277 5.780 1.00 0.00 H new ATOM 125 N GLN A 8 11.438 0.903 -1.859 1.00 0.00 N ATOM 126 CA GLN A 8 11.822 1.628 -3.059 1.00 0.00 C ATOM 127 C GLN A 8 11.068 2.956 -3.140 1.00 0.00 C ATOM 128 O GLN A 8 11.671 4.005 -3.362 1.00 0.00 O ATOM 129 CB GLN A 8 11.581 0.783 -4.311 1.00 0.00 C ATOM 130 CG GLN A 8 12.889 0.538 -5.067 1.00 0.00 C ATOM 131 CD GLN A 8 12.893 1.275 -6.408 1.00 0.00 C ATOM 132 OE1 GLN A 8 12.510 0.745 -7.438 1.00 0.00 O ATOM 133 NE2 GLN A 8 13.345 2.524 -6.338 1.00 0.00 N ATOM 0 H GLN A 8 10.914 0.044 -2.029 1.00 0.00 H new ATOM 0 HA GLN A 8 12.890 1.841 -3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.135 -0.171 -4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 8 10.869 1.288 -4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.731 0.872 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 8 13.022 -0.531 -5.235 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.650 2.906 -5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.386 3.099 -7.179 1.00 0.00 H new ATOM 142 N ALA A 9 9.758 2.869 -2.956 1.00 0.00 N ATOM 143 CA ALA A 9 8.915 4.051 -3.006 1.00 0.00 C ATOM 144 C ALA A 9 9.428 5.081 -1.998 1.00 0.00 C ATOM 145 O ALA A 9 9.770 6.203 -2.370 1.00 0.00 O ATOM 146 CB ALA A 9 7.461 3.653 -2.744 1.00 0.00 C ATOM 0 H ALA A 9 9.260 1.998 -2.772 1.00 0.00 H new ATOM 0 HA ALA A 9 8.955 4.509 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.829 4.540 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.136 2.943 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.382 3.192 -1.759 1.00 0.00 H new ATOM 152 N LEU A 10 9.465 4.664 -0.741 1.00 0.00 N ATOM 153 CA LEU A 10 9.931 5.537 0.324 1.00 0.00 C ATOM 154 C LEU A 10 11.254 6.182 -0.094 1.00 0.00 C ATOM 155 O LEU A 10 11.364 7.407 -0.141 1.00 0.00 O ATOM 156 CB LEU A 10 10.010 4.773 1.647 1.00 0.00 C ATOM 157 CG LEU A 10 8.683 4.248 2.198 1.00 0.00 C ATOM 158 CD1 LEU A 10 8.917 3.158 3.246 1.00 0.00 C ATOM 159 CD2 LEU A 10 7.824 5.391 2.742 1.00 0.00 C ATOM 0 H LEU A 10 9.180 3.733 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 10 9.220 6.346 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.686 3.928 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 10 10.458 5.427 2.395 1.00 0.00 H new ATOM 0 HG LEU A 10 8.129 3.792 1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.958 2.802 3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.460 2.328 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.501 3.566 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.887 4.990 3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.359 5.898 3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.613 6.101 1.942 1.00 0.00 H new ATOM 171 N GLU A 11 12.225 5.330 -0.386 1.00 0.00 N ATOM 172 CA GLU A 11 13.536 5.802 -0.798 1.00 0.00 C ATOM 173 C GLU A 11 13.412 6.715 -2.019 1.00 0.00 C ATOM 174 O GLU A 11 13.761 7.893 -1.955 1.00 0.00 O ATOM 175 CB GLU A 11 14.476 4.629 -1.083 1.00 0.00 C ATOM 176 CG GLU A 11 14.994 4.011 0.217 1.00 0.00 C ATOM 177 CD GLU A 11 16.419 3.482 0.044 1.00 0.00 C ATOM 178 OE1 GLU A 11 16.542 2.302 -0.347 1.00 0.00 O ATOM 179 OE2 GLU A 11 17.353 4.271 0.306 1.00 0.00 O ATOM 0 H GLU A 11 12.130 4.315 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 11 13.967 6.379 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.952 3.872 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.316 4.971 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.973 4.757 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.336 3.199 0.525 1.00 0.00 H new ATOM 186 N LEU A 12 12.914 6.138 -3.102 1.00 0.00 N ATOM 187 CA LEU A 12 12.739 6.885 -4.335 1.00 0.00 C ATOM 188 C LEU A 12 12.071 8.226 -4.024 1.00 0.00 C ATOM 189 O LEU A 12 12.633 9.283 -4.305 1.00 0.00 O ATOM 190 CB LEU A 12 11.984 6.046 -5.368 1.00 0.00 C ATOM 191 CG LEU A 12 11.632 6.753 -6.679 1.00 0.00 C ATOM 192 CD1 LEU A 12 12.895 7.209 -7.412 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.746 5.868 -7.558 1.00 0.00 C ATOM 0 H LEU A 12 12.626 5.161 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 12 13.706 7.108 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.585 5.167 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.061 5.689 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 12 11.057 7.648 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 12 12.617 7.708 -8.340 1.00 0.00 H new ATOM 0 HD12 LEU A 12 13.452 7.901 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU A 12 13.517 6.343 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.510 6.394 -8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.273 4.943 -7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.823 5.636 -7.027 1.00 0.00 H new ATOM 205 N PHE A 13 10.881 8.138 -3.448 1.00 0.00 N ATOM 206 CA PHE A 13 10.130 9.331 -3.096 1.00 0.00 C ATOM 207 C PHE A 13 11.056 10.423 -2.557 1.00 0.00 C ATOM 208 O PHE A 13 11.176 11.491 -3.155 1.00 0.00 O ATOM 209 CB PHE A 13 9.142 8.930 -1.999 1.00 0.00 C ATOM 210 CG PHE A 13 8.134 10.023 -1.639 1.00 0.00 C ATOM 211 CD1 PHE A 13 7.410 10.629 -2.618 1.00 0.00 C ATOM 212 CD2 PHE A 13 7.962 10.389 -0.340 1.00 0.00 C ATOM 213 CE1 PHE A 13 6.474 11.643 -2.284 1.00 0.00 C ATOM 214 CE2 PHE A 13 7.027 11.404 -0.007 1.00 0.00 C ATOM 215 CZ PHE A 13 6.302 12.009 -0.985 1.00 0.00 C ATOM 0 H PHE A 13 10.418 7.259 -3.216 1.00 0.00 H new ATOM 0 HA PHE A 13 9.623 9.724 -3.977 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.599 8.041 -2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.700 8.656 -1.104 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.547 10.339 -3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.537 9.908 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.899 12.124 -3.061 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.892 11.696 1.024 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.590 12.780 -0.731 1.00 0.00 H new ATOM 225 N LYS A 14 11.688 10.117 -1.434 1.00 0.00 N ATOM 226 CA LYS A 14 12.600 11.059 -0.808 1.00 0.00 C ATOM 227 C LYS A 14 13.711 11.420 -1.796 1.00 0.00 C ATOM 228 O LYS A 14 14.202 12.548 -1.798 1.00 0.00 O ATOM 229 CB LYS A 14 13.117 10.502 0.521 1.00 0.00 C ATOM 230 CG LYS A 14 14.165 11.433 1.135 1.00 0.00 C ATOM 231 CD LYS A 14 15.230 10.635 1.890 1.00 0.00 C ATOM 232 CE LYS A 14 16.412 10.299 0.978 1.00 0.00 C ATOM 233 NZ LYS A 14 17.689 10.673 1.626 1.00 0.00 N ATOM 0 H LYS A 14 11.587 9.230 -0.941 1.00 0.00 H new ATOM 0 HA LYS A 14 12.080 11.984 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.286 10.376 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.551 9.515 0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.637 12.024 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.681 12.134 1.815 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.580 11.209 2.748 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.793 9.715 2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.412 9.233 0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.310 10.828 0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.481 10.438 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.693 11.694 1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.792 10.149 2.519 1.00 0.00 H new ATOM 247 N SER A 15 14.074 10.442 -2.613 1.00 0.00 N ATOM 248 CA SER A 15 15.118 10.643 -3.604 1.00 0.00 C ATOM 249 C SER A 15 14.610 11.558 -4.720 1.00 0.00 C ATOM 250 O SER A 15 15.402 12.181 -5.425 1.00 0.00 O ATOM 251 CB SER A 15 15.590 9.309 -4.184 1.00 0.00 C ATOM 252 OG SER A 15 16.921 9.387 -4.687 1.00 0.00 O ATOM 0 H SER A 15 13.664 9.508 -2.609 1.00 0.00 H new ATOM 0 HA SER A 15 15.969 11.116 -3.114 1.00 0.00 H new ATOM 0 HB2 SER A 15 15.538 8.540 -3.413 1.00 0.00 H new ATOM 0 HB3 SER A 15 14.917 9.003 -4.985 1.00 0.00 H new ATOM 0 HG SER A 15 17.186 8.515 -5.047 1.00 0.00 H new ATOM 258 N LEU A 16 13.292 11.610 -4.846 1.00 0.00 N ATOM 259 CA LEU A 16 12.669 12.438 -5.864 1.00 0.00 C ATOM 260 C LEU A 16 12.650 13.893 -5.391 1.00 0.00 C ATOM 261 O LEU A 16 12.763 14.162 -4.196 1.00 0.00 O ATOM 262 CB LEU A 16 11.287 11.891 -6.228 1.00 0.00 C ATOM 263 CG LEU A 16 11.271 10.654 -7.128 1.00 0.00 C ATOM 264 CD1 LEU A 16 9.844 10.142 -7.331 1.00 0.00 C ATOM 265 CD2 LEU A 16 11.974 10.934 -8.458 1.00 0.00 C ATOM 0 H LEU A 16 12.638 11.092 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 16 13.250 12.410 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.758 11.651 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.723 12.683 -6.722 1.00 0.00 H new ATOM 0 HG LEU A 16 11.829 9.862 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.861 9.262 -7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.412 9.877 -6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 16 9.241 10.921 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 16 11.948 10.038 -9.079 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.465 11.748 -8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.010 11.215 -8.270 1.00 0.00 H new ATOM 277 N PRO A 17 12.501 14.816 -6.378 1.00 0.00 N ATOM 278 CA PRO A 17 12.466 16.237 -6.074 1.00 0.00 C ATOM 279 C PRO A 17 11.123 16.632 -5.456 1.00 0.00 C ATOM 280 O PRO A 17 10.069 16.215 -5.933 1.00 0.00 O ATOM 281 CB PRO A 17 12.735 16.929 -7.400 1.00 0.00 C ATOM 282 CG PRO A 17 12.451 15.894 -8.476 1.00 0.00 C ATOM 283 CD PRO A 17 12.364 14.534 -7.804 1.00 0.00 C ATOM 0 HA PRO A 17 13.208 16.527 -5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.096 17.803 -7.521 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.766 17.278 -7.456 1.00 0.00 H new ATOM 0 HG2 PRO A 17 11.519 16.125 -8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.240 15.898 -9.228 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.415 14.045 -8.022 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.153 13.868 -8.154 1.00 0.00 H new ATOM 291 N LYS A 18 11.206 17.431 -4.402 1.00 0.00 N ATOM 292 CA LYS A 18 10.010 17.887 -3.714 1.00 0.00 C ATOM 293 C LYS A 18 8.890 18.103 -4.733 1.00 0.00 C ATOM 294 O LYS A 18 7.909 17.361 -4.750 1.00 0.00 O ATOM 295 CB LYS A 18 10.318 19.124 -2.867 1.00 0.00 C ATOM 296 CG LYS A 18 11.175 20.123 -3.648 1.00 0.00 C ATOM 297 CD LYS A 18 12.364 20.598 -2.809 1.00 0.00 C ATOM 298 CE LYS A 18 13.528 21.030 -3.703 1.00 0.00 C ATOM 299 NZ LYS A 18 14.787 20.390 -3.260 1.00 0.00 N ATOM 0 H LYS A 18 12.082 17.774 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 18 9.661 17.128 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.387 19.600 -2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.839 18.826 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.535 19.659 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.567 20.979 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.058 21.431 -2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.689 19.797 -2.145 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.320 20.758 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.634 22.114 -3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.567 20.694 -3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.992 20.670 -2.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.688 19.356 -3.311 1.00 0.00 H new ATOM 313 N GLU A 19 9.074 19.123 -5.559 1.00 0.00 N ATOM 314 CA GLU A 19 8.091 19.446 -6.580 1.00 0.00 C ATOM 315 C GLU A 19 7.469 18.166 -7.141 1.00 0.00 C ATOM 316 O GLU A 19 6.250 18.071 -7.275 1.00 0.00 O ATOM 317 CB GLU A 19 8.715 20.287 -7.695 1.00 0.00 C ATOM 318 CG GLU A 19 9.505 19.409 -8.668 1.00 0.00 C ATOM 319 CD GLU A 19 10.198 20.259 -9.735 1.00 0.00 C ATOM 320 OE1 GLU A 19 9.488 21.077 -10.358 1.00 0.00 O ATOM 321 OE2 GLU A 19 11.422 20.071 -9.903 1.00 0.00 O ATOM 0 H GLU A 19 9.889 19.736 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 19 7.301 20.040 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.932 20.820 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.374 21.040 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.248 18.830 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.834 18.695 -9.146 1.00 0.00 H new ATOM 328 N LEU A 20 8.334 17.213 -7.455 1.00 0.00 N ATOM 329 CA LEU A 20 7.884 15.943 -7.998 1.00 0.00 C ATOM 330 C LEU A 20 7.178 15.145 -6.901 1.00 0.00 C ATOM 331 O LEU A 20 6.049 14.693 -7.086 1.00 0.00 O ATOM 332 CB LEU A 20 9.050 15.196 -8.648 1.00 0.00 C ATOM 333 CG LEU A 20 9.366 15.574 -10.097 1.00 0.00 C ATOM 334 CD1 LEU A 20 10.377 14.603 -10.710 1.00 0.00 C ATOM 335 CD2 LEU A 20 8.086 15.669 -10.930 1.00 0.00 C ATOM 0 H LEU A 20 9.345 17.295 -7.344 1.00 0.00 H new ATOM 0 HA LEU A 20 7.156 16.105 -8.793 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.943 15.364 -8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.837 14.128 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 20 9.827 16.562 -10.099 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.584 14.895 -11.740 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.302 14.628 -10.133 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.967 13.593 -10.694 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.338 15.939 -11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.575 14.706 -10.923 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.431 16.430 -10.505 1.00 0.00 H new ATOM 347 N ARG A 21 7.872 14.995 -5.782 1.00 0.00 N ATOM 348 CA ARG A 21 7.325 14.259 -4.655 1.00 0.00 C ATOM 349 C ARG A 21 5.831 14.556 -4.502 1.00 0.00 C ATOM 350 O ARG A 21 5.019 13.637 -4.408 1.00 0.00 O ATOM 351 CB ARG A 21 8.046 14.625 -3.356 1.00 0.00 C ATOM 352 CG ARG A 21 9.461 14.043 -3.333 1.00 0.00 C ATOM 353 CD ARG A 21 10.128 14.279 -1.976 1.00 0.00 C ATOM 354 NE ARG A 21 11.468 14.878 -2.168 1.00 0.00 N ATOM 355 CZ ARG A 21 12.110 15.596 -1.237 1.00 0.00 C ATOM 356 NH1 ARG A 21 11.538 15.810 -0.044 1.00 0.00 N ATOM 357 NH2 ARG A 21 13.323 16.102 -1.499 1.00 0.00 N ATOM 0 H ARG A 21 8.808 15.371 -5.632 1.00 0.00 H new ATOM 0 HA ARG A 21 7.470 13.197 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.093 15.709 -3.255 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.480 14.249 -2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.422 12.974 -3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.059 14.500 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.510 14.939 -1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 21 10.216 13.336 -1.436 1.00 0.00 H new ATOM 0 HE ARG A 21 11.931 14.735 -3.065 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.614 15.426 0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.027 16.357 0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.758 15.940 -2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 21 13.812 16.649 -0.790 1.00 0.00 H new ATOM 371 N SER A 22 5.515 15.843 -4.482 1.00 0.00 N ATOM 372 CA SER A 22 4.134 16.272 -4.341 1.00 0.00 C ATOM 373 C SER A 22 3.261 15.576 -5.387 1.00 0.00 C ATOM 374 O SER A 22 2.205 15.037 -5.060 1.00 0.00 O ATOM 375 CB SER A 22 4.013 17.791 -4.475 1.00 0.00 C ATOM 376 OG SER A 22 2.960 18.316 -3.671 1.00 0.00 O ATOM 0 H SER A 22 6.192 16.602 -4.561 1.00 0.00 H new ATOM 0 HA SER A 22 3.789 15.994 -3.345 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.956 18.257 -4.187 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.836 18.050 -5.519 1.00 0.00 H new ATOM 0 HG SER A 22 2.917 19.289 -3.783 1.00 0.00 H new ATOM 382 N GLN A 23 3.735 15.610 -6.624 1.00 0.00 N ATOM 383 CA GLN A 23 3.011 14.989 -7.720 1.00 0.00 C ATOM 384 C GLN A 23 2.955 13.472 -7.528 1.00 0.00 C ATOM 385 O GLN A 23 1.931 12.846 -7.795 1.00 0.00 O ATOM 386 CB GLN A 23 3.641 15.348 -9.067 1.00 0.00 C ATOM 387 CG GLN A 23 3.820 16.862 -9.203 1.00 0.00 C ATOM 388 CD GLN A 23 2.811 17.447 -10.193 1.00 0.00 C ATOM 389 OE1 GLN A 23 1.712 17.840 -9.840 1.00 0.00 O ATOM 390 NE2 GLN A 23 3.245 17.481 -11.450 1.00 0.00 N ATOM 0 H GLN A 23 4.612 16.058 -6.891 1.00 0.00 H new ATOM 0 HA GLN A 23 1.991 15.374 -7.719 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.608 14.854 -9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.012 14.978 -9.877 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.696 17.335 -8.229 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.833 17.083 -9.538 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.177 17.135 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.645 17.853 -12.187 1.00 0.00 H new ATOM 399 N VAL A 24 4.070 12.925 -7.066 1.00 0.00 N ATOM 400 CA VAL A 24 4.161 11.493 -6.835 1.00 0.00 C ATOM 401 C VAL A 24 2.994 11.048 -5.951 1.00 0.00 C ATOM 402 O VAL A 24 2.151 10.262 -6.379 1.00 0.00 O ATOM 403 CB VAL A 24 5.528 11.145 -6.241 1.00 0.00 C ATOM 404 CG1 VAL A 24 5.535 9.722 -5.680 1.00 0.00 C ATOM 405 CG2 VAL A 24 6.639 11.333 -7.275 1.00 0.00 C ATOM 0 H VAL A 24 4.918 13.447 -6.845 1.00 0.00 H new ATOM 0 HA VAL A 24 4.082 10.948 -7.776 1.00 0.00 H new ATOM 0 HB VAL A 24 5.720 11.831 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.518 9.500 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.782 9.636 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.311 9.015 -6.479 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.600 11.079 -6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.454 10.683 -8.130 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.656 12.371 -7.606 1.00 0.00 H new ATOM 415 N LEU A 25 2.983 11.571 -4.733 1.00 0.00 N ATOM 416 CA LEU A 25 1.934 11.237 -3.785 1.00 0.00 C ATOM 417 C LEU A 25 0.584 11.230 -4.507 1.00 0.00 C ATOM 418 O LEU A 25 -0.246 10.354 -4.270 1.00 0.00 O ATOM 419 CB LEU A 25 1.981 12.179 -2.580 1.00 0.00 C ATOM 420 CG LEU A 25 3.185 12.016 -1.650 1.00 0.00 C ATOM 421 CD1 LEU A 25 3.122 13.016 -0.493 1.00 0.00 C ATOM 422 CD2 LEU A 25 3.305 10.574 -1.155 1.00 0.00 C ATOM 0 H LEU A 25 3.684 12.223 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 25 2.088 10.235 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.965 13.206 -2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.073 12.035 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 25 4.088 12.237 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.989 12.880 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.121 14.031 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.211 12.850 0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.169 10.486 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.402 10.301 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.429 9.906 -2.007 1.00 0.00 H new ATOM 434 N LEU A 26 0.407 12.217 -5.373 1.00 0.00 N ATOM 435 CA LEU A 26 -0.827 12.335 -6.131 1.00 0.00 C ATOM 436 C LEU A 26 -0.960 11.136 -7.071 1.00 0.00 C ATOM 437 O LEU A 26 -1.950 10.408 -7.020 1.00 0.00 O ATOM 438 CB LEU A 26 -0.891 13.686 -6.844 1.00 0.00 C ATOM 439 CG LEU A 26 -1.541 14.829 -6.061 1.00 0.00 C ATOM 440 CD1 LEU A 26 -3.056 14.639 -5.972 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.900 14.981 -4.680 1.00 0.00 C ATOM 0 H LEU A 26 1.098 12.942 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.688 12.313 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.124 13.984 -7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.437 13.556 -7.778 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.364 15.759 -6.602 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.494 15.464 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.480 14.618 -6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.276 13.699 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.380 15.800 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.025 14.056 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.163 15.195 -4.794 1.00 0.00 H new ATOM 453 N GLU A 27 0.052 10.967 -7.909 1.00 0.00 N ATOM 454 CA GLU A 27 0.061 9.868 -8.860 1.00 0.00 C ATOM 455 C GLU A 27 -0.350 8.566 -8.171 1.00 0.00 C ATOM 456 O GLU A 27 -1.253 7.872 -8.635 1.00 0.00 O ATOM 457 CB GLU A 27 1.433 9.728 -9.523 1.00 0.00 C ATOM 458 CG GLU A 27 1.864 11.043 -10.176 1.00 0.00 C ATOM 459 CD GLU A 27 2.198 10.837 -11.655 1.00 0.00 C ATOM 460 OE1 GLU A 27 3.365 10.482 -11.928 1.00 0.00 O ATOM 461 OE2 GLU A 27 1.280 11.040 -12.478 1.00 0.00 O ATOM 0 H GLU A 27 0.872 11.573 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.665 10.086 -9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.171 9.428 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.399 8.939 -10.274 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.067 11.780 -10.079 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.734 11.444 -9.655 1.00 0.00 H new ATOM 468 N TYR A 28 0.333 8.273 -7.074 1.00 0.00 N ATOM 469 CA TYR A 28 0.049 7.066 -6.316 1.00 0.00 C ATOM 470 C TYR A 28 -1.458 6.850 -6.172 1.00 0.00 C ATOM 471 O TYR A 28 -1.982 5.814 -6.579 1.00 0.00 O ATOM 472 CB TYR A 28 0.655 7.288 -4.928 1.00 0.00 C ATOM 473 CG TYR A 28 2.148 6.961 -4.842 1.00 0.00 C ATOM 474 CD1 TYR A 28 2.970 7.201 -5.924 1.00 0.00 C ATOM 475 CD2 TYR A 28 2.671 6.428 -3.682 1.00 0.00 C ATOM 476 CE1 TYR A 28 4.375 6.894 -5.842 1.00 0.00 C ATOM 477 CE2 TYR A 28 4.076 6.121 -3.600 1.00 0.00 C ATOM 478 CZ TYR A 28 4.858 6.369 -4.685 1.00 0.00 C ATOM 479 OH TYR A 28 6.185 6.079 -4.608 1.00 0.00 O ATOM 0 H TYR A 28 1.082 8.850 -6.692 1.00 0.00 H new ATOM 0 HA TYR A 28 0.462 6.191 -6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.504 8.328 -4.639 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.117 6.675 -4.205 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.560 7.619 -6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 28 2.027 6.241 -2.835 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.030 7.077 -6.681 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.499 5.704 -2.698 1.00 0.00 H new ATOM 0 HH TYR A 28 6.558 6.470 -3.791 1.00 0.00 H new ATOM 489 N ALA A 29 -2.114 7.845 -5.592 1.00 0.00 N ATOM 490 CA ALA A 29 -3.551 7.777 -5.389 1.00 0.00 C ATOM 491 C ALA A 29 -4.231 7.413 -6.711 1.00 0.00 C ATOM 492 O ALA A 29 -5.145 6.591 -6.737 1.00 0.00 O ATOM 493 CB ALA A 29 -4.051 9.107 -4.823 1.00 0.00 C ATOM 0 H ALA A 29 -1.676 8.703 -5.256 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.800 7.001 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.129 9.055 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.559 9.305 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.821 9.910 -5.524 1.00 0.00 H new ATOM 499 N ALA A 30 -3.759 8.044 -7.776 1.00 0.00 N ATOM 500 CA ALA A 30 -4.310 7.797 -9.097 1.00 0.00 C ATOM 501 C ALA A 30 -4.156 6.314 -9.440 1.00 0.00 C ATOM 502 O ALA A 30 -4.923 5.775 -10.237 1.00 0.00 O ATOM 503 CB ALA A 30 -3.619 8.706 -10.116 1.00 0.00 C ATOM 0 H ALA A 30 -3.001 8.726 -7.751 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.374 8.032 -9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.032 8.521 -11.108 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.783 9.749 -9.843 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.549 8.497 -10.124 1.00 0.00 H new ATOM 509 N LYS A 31 -3.161 5.696 -8.822 1.00 0.00 N ATOM 510 CA LYS A 31 -2.897 4.286 -9.052 1.00 0.00 C ATOM 511 C LYS A 31 -3.575 3.460 -7.957 1.00 0.00 C ATOM 512 O LYS A 31 -3.007 2.484 -7.469 1.00 0.00 O ATOM 513 CB LYS A 31 -1.393 4.034 -9.170 1.00 0.00 C ATOM 514 CG LYS A 31 -0.826 4.679 -10.436 1.00 0.00 C ATOM 515 CD LYS A 31 -0.026 5.939 -10.099 1.00 0.00 C ATOM 516 CE LYS A 31 1.394 5.853 -10.661 1.00 0.00 C ATOM 517 NZ LYS A 31 1.361 5.568 -12.113 1.00 0.00 N ATOM 0 H LYS A 31 -2.527 6.146 -8.162 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.325 3.969 -10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.884 4.435 -8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.201 2.961 -9.187 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.186 3.966 -10.956 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.640 4.932 -11.115 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.530 6.815 -10.508 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.014 6.070 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.920 6.790 -10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.949 5.071 -10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.176 6.021 -12.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.404 4.540 -12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.480 5.942 -12.520 1.00 0.00 H new ATOM 531 N VAL A 32 -4.780 3.881 -7.603 1.00 0.00 N ATOM 532 CA VAL A 32 -5.542 3.192 -6.575 1.00 0.00 C ATOM 533 C VAL A 32 -6.942 2.879 -7.107 1.00 0.00 C ATOM 534 O VAL A 32 -7.822 3.738 -7.092 1.00 0.00 O ATOM 535 CB VAL A 32 -5.563 4.026 -5.292 1.00 0.00 C ATOM 536 CG1 VAL A 32 -6.383 3.334 -4.202 1.00 0.00 C ATOM 537 CG2 VAL A 32 -4.142 4.319 -4.806 1.00 0.00 C ATOM 0 H VAL A 32 -5.248 4.691 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.070 2.242 -6.322 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.043 4.978 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.382 3.947 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.408 3.199 -4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.945 2.361 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.185 4.913 -3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.626 3.380 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.602 4.873 -5.574 1.00 0.00 H new ATOM 547 N PRO A 33 -7.108 1.614 -7.577 1.00 0.00 N ATOM 548 CA PRO A 33 -8.386 1.176 -8.113 1.00 0.00 C ATOM 549 C PRO A 33 -9.396 0.929 -6.990 1.00 0.00 C ATOM 550 O PRO A 33 -9.012 0.731 -5.838 1.00 0.00 O ATOM 551 CB PRO A 33 -8.069 -0.077 -8.913 1.00 0.00 C ATOM 552 CG PRO A 33 -6.714 -0.556 -8.417 1.00 0.00 C ATOM 553 CD PRO A 33 -6.088 0.570 -7.610 1.00 0.00 C ATOM 0 HA PRO A 33 -8.856 1.928 -8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.832 -0.840 -8.762 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -8.040 0.138 -9.981 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.826 -1.449 -7.802 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.074 -0.825 -9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.827 0.239 -6.605 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.170 0.928 -8.076 1.00 0.00 H new ATOM 561 N PRO A 34 -10.700 0.950 -7.375 1.00 0.00 N ATOM 562 CA PRO A 34 -11.767 0.731 -6.414 1.00 0.00 C ATOM 563 C PRO A 34 -11.867 -0.748 -6.033 1.00 0.00 C ATOM 564 O PRO A 34 -11.454 -1.619 -6.798 1.00 0.00 O ATOM 565 CB PRO A 34 -13.022 1.255 -7.093 1.00 0.00 C ATOM 566 CG PRO A 34 -12.697 1.320 -8.577 1.00 0.00 C ATOM 567 CD PRO A 34 -11.191 1.182 -8.730 1.00 0.00 C ATOM 0 HA PRO A 34 -11.595 1.248 -5.470 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.870 0.596 -6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.292 2.239 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.210 0.523 -9.116 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.039 2.264 -9.002 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.934 0.354 -9.391 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -10.753 2.082 -9.161 1.00 0.00 H new ATOM 575 N PRO A 35 -12.433 -0.992 -4.821 1.00 0.00 N ATOM 576 CA PRO A 35 -12.592 -2.350 -4.330 1.00 0.00 C ATOM 577 C PRO A 35 -13.741 -3.062 -5.048 1.00 0.00 C ATOM 578 O PRO A 35 -14.671 -2.417 -5.530 1.00 0.00 O ATOM 579 CB PRO A 35 -12.827 -2.203 -2.835 1.00 0.00 C ATOM 580 CG PRO A 35 -13.252 -0.760 -2.620 1.00 0.00 C ATOM 581 CD PRO A 35 -12.933 0.014 -3.889 1.00 0.00 C ATOM 0 HA PRO A 35 -11.718 -2.972 -4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.598 -2.893 -2.491 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.921 -2.431 -2.273 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -14.318 -0.705 -2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.726 -0.330 -1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -13.819 0.512 -4.282 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.188 0.788 -3.704 1.00 0.00 H new ATOM 589 N PRO A 36 -13.637 -4.417 -5.097 1.00 0.00 N ATOM 590 CA PRO A 36 -14.655 -5.223 -5.748 1.00 0.00 C ATOM 591 C PRO A 36 -15.915 -5.317 -4.884 1.00 0.00 C ATOM 592 O PRO A 36 -15.879 -5.014 -3.693 1.00 0.00 O ATOM 593 CB PRO A 36 -13.997 -6.572 -5.987 1.00 0.00 C ATOM 594 CG PRO A 36 -12.800 -6.623 -5.051 1.00 0.00 C ATOM 595 CD PRO A 36 -12.550 -5.215 -4.537 1.00 0.00 C ATOM 0 HA PRO A 36 -14.996 -4.790 -6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.690 -7.387 -5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.685 -6.676 -7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.993 -7.304 -4.222 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.922 -7.000 -5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -12.557 -5.184 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.578 -4.842 -4.860 1.00 0.00 H new ATOM 603 N PRO A 37 -17.027 -5.750 -5.535 1.00 0.00 N ATOM 604 CA PRO A 37 -18.295 -5.888 -4.840 1.00 0.00 C ATOM 605 C PRO A 37 -18.296 -7.127 -3.942 1.00 0.00 C ATOM 606 O PRO A 37 -17.943 -8.219 -4.385 1.00 0.00 O ATOM 607 CB PRO A 37 -19.343 -5.951 -5.939 1.00 0.00 C ATOM 608 CG PRO A 37 -18.591 -6.313 -7.210 1.00 0.00 C ATOM 609 CD PRO A 37 -17.107 -6.118 -6.946 1.00 0.00 C ATOM 0 HA PRO A 37 -18.496 -5.057 -4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -20.105 -6.696 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -19.855 -4.995 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -18.796 -7.345 -7.494 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -18.917 -5.684 -8.039 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -16.545 -7.030 -7.150 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -16.691 -5.338 -7.583 1.00 0.00 H new ATOM 617 N GLY A 38 -18.698 -6.917 -2.697 1.00 0.00 N ATOM 618 CA GLY A 38 -18.749 -8.003 -1.734 1.00 0.00 C ATOM 619 C GLY A 38 -17.665 -7.841 -0.667 1.00 0.00 C ATOM 620 O GLY A 38 -17.903 -8.106 0.511 1.00 0.00 O ATOM 0 H GLY A 38 -18.991 -6.010 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.730 -8.028 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.619 -8.956 -2.248 1.00 0.00 H new ATOM 624 N VAL A 39 -16.497 -7.408 -1.117 1.00 0.00 N ATOM 625 CA VAL A 39 -15.375 -7.208 -0.215 1.00 0.00 C ATOM 626 C VAL A 39 -15.778 -6.222 0.883 1.00 0.00 C ATOM 627 O VAL A 39 -16.173 -5.093 0.594 1.00 0.00 O ATOM 628 CB VAL A 39 -14.144 -6.755 -1.004 1.00 0.00 C ATOM 629 CG1 VAL A 39 -13.017 -6.325 -0.062 1.00 0.00 C ATOM 630 CG2 VAL A 39 -13.671 -7.851 -1.960 1.00 0.00 C ATOM 0 H VAL A 39 -16.303 -7.190 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 39 -15.105 -8.145 0.273 1.00 0.00 H new ATOM 0 HB VAL A 39 -14.430 -5.890 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.154 -6.008 -0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.358 -5.497 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.735 -7.164 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.795 -7.503 -2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.412 -8.743 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -14.469 -8.089 -2.664 1.00 0.00 H new ATOM 640 N GLU A 40 -15.664 -6.683 2.119 1.00 0.00 N ATOM 641 CA GLU A 40 -16.011 -5.856 3.262 1.00 0.00 C ATOM 642 C GLU A 40 -14.785 -5.083 3.750 1.00 0.00 C ATOM 643 O GLU A 40 -13.739 -5.673 4.015 1.00 0.00 O ATOM 644 CB GLU A 40 -16.611 -6.700 4.388 1.00 0.00 C ATOM 645 CG GLU A 40 -16.693 -5.900 5.689 1.00 0.00 C ATOM 646 CD GLU A 40 -17.707 -6.521 6.652 1.00 0.00 C ATOM 647 OE1 GLU A 40 -17.279 -7.384 7.448 1.00 0.00 O ATOM 648 OE2 GLU A 40 -18.888 -6.118 6.570 1.00 0.00 O ATOM 0 H GLU A 40 -15.336 -7.620 2.355 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.768 -5.137 2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -17.607 -7.039 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -16.003 -7.591 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.711 -5.866 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.977 -4.871 5.470 1.00 0.00 H new ATOM 655 N LEU A 41 -14.954 -3.772 3.853 1.00 0.00 N ATOM 656 CA LEU A 41 -13.873 -2.912 4.305 1.00 0.00 C ATOM 657 C LEU A 41 -14.283 -2.228 5.610 1.00 0.00 C ATOM 658 O LEU A 41 -15.450 -1.886 5.796 1.00 0.00 O ATOM 659 CB LEU A 41 -13.469 -1.935 3.199 1.00 0.00 C ATOM 660 CG LEU A 41 -13.070 -2.563 1.862 1.00 0.00 C ATOM 661 CD1 LEU A 41 -14.069 -2.195 0.763 1.00 0.00 C ATOM 662 CD2 LEU A 41 -11.636 -2.184 1.484 1.00 0.00 C ATOM 0 H LEU A 41 -15.822 -3.285 3.631 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.981 -3.501 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -14.300 -1.252 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.634 -1.334 3.559 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.098 -3.647 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.762 -2.654 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.060 -2.556 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.098 -1.112 0.645 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -11.378 -2.643 0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.557 -1.100 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.951 -2.538 2.254 1.00 0.00 H new ATOM 674 N GLU A 42 -13.301 -2.049 6.481 1.00 0.00 N ATOM 675 CA GLU A 42 -13.546 -1.411 7.764 1.00 0.00 C ATOM 676 C GLU A 42 -13.006 0.021 7.757 1.00 0.00 C ATOM 677 O GLU A 42 -11.884 0.262 7.316 1.00 0.00 O ATOM 678 CB GLU A 42 -12.931 -2.223 8.906 1.00 0.00 C ATOM 679 CG GLU A 42 -13.596 -1.883 10.241 1.00 0.00 C ATOM 680 CD GLU A 42 -14.060 -3.151 10.961 1.00 0.00 C ATOM 681 OE1 GLU A 42 -13.180 -3.984 11.266 1.00 0.00 O ATOM 682 OE2 GLU A 42 -15.284 -3.258 11.189 1.00 0.00 O ATOM 0 H GLU A 42 -12.334 -2.334 6.324 1.00 0.00 H new ATOM 0 HA GLU A 42 -14.623 -1.372 7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.043 -3.288 8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.862 -2.020 8.966 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.894 -1.338 10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.448 -1.225 10.070 1.00 0.00 H new ATOM 689 N ARG A 43 -13.831 0.932 8.250 1.00 0.00 N ATOM 690 CA ARG A 43 -13.451 2.334 8.306 1.00 0.00 C ATOM 691 C ARG A 43 -12.391 2.553 9.388 1.00 0.00 C ATOM 692 O ARG A 43 -12.376 1.852 10.398 1.00 0.00 O ATOM 693 CB ARG A 43 -14.662 3.222 8.600 1.00 0.00 C ATOM 694 CG ARG A 43 -14.222 4.621 9.036 1.00 0.00 C ATOM 695 CD ARG A 43 -15.289 5.662 8.691 1.00 0.00 C ATOM 696 NE ARG A 43 -14.685 7.013 8.658 1.00 0.00 N ATOM 697 CZ ARG A 43 -15.383 8.144 8.490 1.00 0.00 C ATOM 698 NH1 ARG A 43 -16.714 8.094 8.338 1.00 0.00 N ATOM 699 NH2 ARG A 43 -14.751 9.326 8.473 1.00 0.00 N ATOM 0 H ARG A 43 -14.761 0.727 8.615 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.044 2.607 7.332 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.289 3.294 7.711 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.270 2.767 9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -14.034 4.629 10.110 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.283 4.880 8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.736 5.430 7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.091 5.631 9.428 1.00 0.00 H new ATOM 0 HE ARG A 43 -13.674 7.087 8.770 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.195 7.195 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -17.245 8.955 8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.738 9.365 8.588 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.283 10.187 8.345 1.00 0.00 H new ATOM 713 N VAL A 44 -11.531 3.530 9.139 1.00 0.00 N ATOM 714 CA VAL A 44 -10.471 3.851 10.079 1.00 0.00 C ATOM 715 C VAL A 44 -10.923 5.004 10.977 1.00 0.00 C ATOM 716 O VAL A 44 -10.717 6.171 10.646 1.00 0.00 O ATOM 717 CB VAL A 44 -9.176 4.155 9.323 1.00 0.00 C ATOM 718 CG1 VAL A 44 -8.018 4.397 10.294 1.00 0.00 C ATOM 719 CG2 VAL A 44 -8.840 3.033 8.338 1.00 0.00 C ATOM 0 H VAL A 44 -11.547 4.110 8.300 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.263 2.998 10.725 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.329 5.069 8.750 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.110 4.611 9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.254 5.244 10.938 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.865 3.508 10.906 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.915 3.274 7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.715 2.097 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.650 2.928 7.616 1.00 0.00 H new ATOM 729 N HIS A 45 -11.532 4.637 12.095 1.00 0.00 N ATOM 730 CA HIS A 45 -12.015 5.627 13.043 1.00 0.00 C ATOM 731 C HIS A 45 -10.860 6.535 13.471 1.00 0.00 C ATOM 732 O HIS A 45 -11.072 7.701 13.799 1.00 0.00 O ATOM 733 CB HIS A 45 -12.707 4.951 14.229 1.00 0.00 C ATOM 734 CG HIS A 45 -14.117 4.496 13.938 1.00 0.00 C ATOM 735 ND1 HIS A 45 -14.459 3.798 12.793 1.00 0.00 N ATOM 736 CD2 HIS A 45 -15.268 4.646 14.656 1.00 0.00 C ATOM 737 CE1 HIS A 45 -15.759 3.545 12.830 1.00 0.00 C ATOM 738 NE2 HIS A 45 -16.259 4.072 13.985 1.00 0.00 N ATOM 0 H HIS A 45 -11.702 3.668 12.366 1.00 0.00 H new ATOM 0 HA HIS A 45 -12.768 6.255 12.566 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -12.115 4.090 14.540 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -12.726 5.645 15.069 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -15.357 5.147 15.609 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -16.324 3.015 12.078 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -17.234 4.032 14.284 1.00 0.00 H new ATOM 746 N GLU A 46 -9.664 5.966 13.453 1.00 0.00 N ATOM 747 CA GLU A 46 -8.476 6.709 13.834 1.00 0.00 C ATOM 748 C GLU A 46 -8.252 7.881 12.876 1.00 0.00 C ATOM 749 O GLU A 46 -7.514 8.813 13.191 1.00 0.00 O ATOM 750 CB GLU A 46 -7.248 5.797 13.879 1.00 0.00 C ATOM 751 CG GLU A 46 -7.116 5.123 15.247 1.00 0.00 C ATOM 752 CD GLU A 46 -5.834 5.567 15.955 1.00 0.00 C ATOM 753 OE1 GLU A 46 -5.855 6.681 16.520 1.00 0.00 O ATOM 754 OE2 GLU A 46 -4.863 4.781 15.915 1.00 0.00 O ATOM 0 H GLU A 46 -9.492 4.998 13.180 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.629 7.108 14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.326 5.037 13.101 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.351 6.379 13.668 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.980 5.370 15.863 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.111 4.040 15.124 1.00 0.00 H new ATOM 761 N CYS A 47 -8.904 7.796 11.726 1.00 0.00 N ATOM 762 CA CYS A 47 -8.786 8.837 10.719 1.00 0.00 C ATOM 763 C CYS A 47 -10.113 9.595 10.655 1.00 0.00 C ATOM 764 O CYS A 47 -11.178 8.985 10.578 1.00 0.00 O ATOM 765 CB CYS A 47 -8.389 8.265 9.357 1.00 0.00 C ATOM 766 SG CYS A 47 -7.578 9.559 8.347 1.00 0.00 S ATOM 0 H CYS A 47 -9.516 7.022 11.469 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.988 9.526 10.996 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.714 7.420 9.491 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.272 7.889 8.840 1.00 0.00 H new ATOM 0 HG CYS A 47 -8.471 10.170 7.627 1.00 0.00 H new ATOM 772 N GLN A 48 -10.006 10.916 10.689 1.00 0.00 N ATOM 773 CA GLN A 48 -11.185 11.764 10.635 1.00 0.00 C ATOM 774 C GLN A 48 -11.980 11.487 9.357 1.00 0.00 C ATOM 775 O GLN A 48 -13.087 10.954 9.414 1.00 0.00 O ATOM 776 CB GLN A 48 -10.802 13.242 10.733 1.00 0.00 C ATOM 777 CG GLN A 48 -9.775 13.469 11.845 1.00 0.00 C ATOM 778 CD GLN A 48 -10.312 14.443 12.895 1.00 0.00 C ATOM 779 OE1 GLN A 48 -10.318 15.650 12.715 1.00 0.00 O ATOM 780 NE2 GLN A 48 -10.761 13.854 14.000 1.00 0.00 N ATOM 0 H GLN A 48 -9.121 11.419 10.753 1.00 0.00 H new ATOM 0 HA GLN A 48 -11.817 11.529 11.491 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -10.393 13.579 9.781 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.692 13.840 10.927 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -9.529 12.518 12.318 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.852 13.861 11.418 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.727 12.838 14.086 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.139 14.418 14.761 1.00 0.00 H new ATOM 789 N THR A 49 -11.384 11.861 8.235 1.00 0.00 N ATOM 790 CA THR A 49 -12.023 11.660 6.945 1.00 0.00 C ATOM 791 C THR A 49 -12.467 10.205 6.791 1.00 0.00 C ATOM 792 O THR A 49 -11.974 9.324 7.494 1.00 0.00 O ATOM 793 CB THR A 49 -11.048 12.116 5.858 1.00 0.00 C ATOM 794 OG1 THR A 49 -9.821 11.476 6.202 1.00 0.00 O ATOM 795 CG2 THR A 49 -10.727 13.609 5.948 1.00 0.00 C ATOM 0 H THR A 49 -10.465 12.302 8.192 1.00 0.00 H new ATOM 0 HA THR A 49 -12.932 12.255 6.857 1.00 0.00 H new ATOM 0 HB THR A 49 -11.468 11.894 4.877 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.069 12.029 5.903 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.031 13.880 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.645 14.186 5.838 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.276 13.826 6.916 1.00 0.00 H new ATOM 803 N PRO A 50 -13.418 9.991 5.843 1.00 0.00 N ATOM 804 CA PRO A 50 -13.935 8.657 5.588 1.00 0.00 C ATOM 805 C PRO A 50 -12.921 7.816 4.810 1.00 0.00 C ATOM 806 O PRO A 50 -12.667 8.074 3.634 1.00 0.00 O ATOM 807 CB PRO A 50 -15.232 8.876 4.828 1.00 0.00 C ATOM 808 CG PRO A 50 -15.161 10.293 4.281 1.00 0.00 C ATOM 809 CD PRO A 50 -14.025 11.010 4.992 1.00 0.00 C ATOM 0 HA PRO A 50 -14.116 8.094 6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.339 8.151 4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -16.094 8.753 5.483 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -14.989 10.279 3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.104 10.814 4.446 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.304 11.412 4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -14.394 11.850 5.581 1.00 0.00 H new ATOM 817 N PHE A 51 -12.368 6.828 5.497 1.00 0.00 N ATOM 818 CA PHE A 51 -11.387 5.947 4.885 1.00 0.00 C ATOM 819 C PHE A 51 -11.647 4.488 5.265 1.00 0.00 C ATOM 820 O PHE A 51 -11.917 4.184 6.426 1.00 0.00 O ATOM 821 CB PHE A 51 -10.016 6.365 5.421 1.00 0.00 C ATOM 822 CG PHE A 51 -8.841 5.657 4.742 1.00 0.00 C ATOM 823 CD1 PHE A 51 -8.894 5.375 3.412 1.00 0.00 C ATOM 824 CD2 PHE A 51 -7.744 5.311 5.467 1.00 0.00 C ATOM 825 CE1 PHE A 51 -7.804 4.719 2.782 1.00 0.00 C ATOM 826 CE2 PHE A 51 -6.654 4.655 4.837 1.00 0.00 C ATOM 827 CZ PHE A 51 -6.707 4.372 3.508 1.00 0.00 C ATOM 0 H PHE A 51 -12.580 6.617 6.472 1.00 0.00 H new ATOM 0 HA PHE A 51 -11.441 6.026 3.799 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.901 7.441 5.295 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -9.979 6.164 6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.765 5.650 2.836 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.702 5.535 6.523 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.846 4.495 1.726 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.783 4.381 5.413 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.878 3.872 3.029 1.00 0.00 H new ATOM 837 N PHE A 52 -11.557 3.625 4.265 1.00 0.00 N ATOM 838 CA PHE A 52 -11.780 2.205 4.479 1.00 0.00 C ATOM 839 C PHE A 52 -10.663 1.373 3.845 1.00 0.00 C ATOM 840 O PHE A 52 -10.293 1.599 2.694 1.00 0.00 O ATOM 841 CB PHE A 52 -13.108 1.853 3.805 1.00 0.00 C ATOM 842 CG PHE A 52 -14.190 2.923 3.966 1.00 0.00 C ATOM 843 CD1 PHE A 52 -14.824 3.074 5.160 1.00 0.00 C ATOM 844 CD2 PHE A 52 -14.518 3.722 2.916 1.00 0.00 C ATOM 845 CE1 PHE A 52 -15.828 4.066 5.310 1.00 0.00 C ATOM 846 CE2 PHE A 52 -15.522 4.715 3.066 1.00 0.00 C ATOM 847 CZ PHE A 52 -16.156 4.866 4.260 1.00 0.00 C ATOM 0 H PHE A 52 -11.333 3.881 3.304 1.00 0.00 H new ATOM 0 HA PHE A 52 -11.797 1.988 5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.931 1.686 2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -13.476 0.914 4.218 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.563 2.439 5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.015 3.601 1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -16.332 4.186 6.258 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -15.782 5.350 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 52 -16.920 5.621 4.374 1.00 0.00 H new ATOM 857 N VAL A 53 -10.158 0.428 4.624 1.00 0.00 N ATOM 858 CA VAL A 53 -9.091 -0.439 4.152 1.00 0.00 C ATOM 859 C VAL A 53 -9.482 -1.899 4.393 1.00 0.00 C ATOM 860 O VAL A 53 -10.347 -2.185 5.219 1.00 0.00 O ATOM 861 CB VAL A 53 -7.770 -0.055 4.822 1.00 0.00 C ATOM 862 CG1 VAL A 53 -7.428 1.413 4.558 1.00 0.00 C ATOM 863 CG2 VAL A 53 -7.812 -0.347 6.324 1.00 0.00 C ATOM 0 H VAL A 53 -10.467 0.243 5.578 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.944 -0.315 3.079 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.981 -0.667 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.485 1.660 5.045 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.336 1.578 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.219 2.048 4.956 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.861 -0.065 6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.617 0.227 6.784 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.988 -1.411 6.483 1.00 0.00 H new ATOM 873 N HIS A 54 -8.825 -2.783 3.657 1.00 0.00 N ATOM 874 CA HIS A 54 -9.093 -4.206 3.780 1.00 0.00 C ATOM 875 C HIS A 54 -7.958 -5.000 3.131 1.00 0.00 C ATOM 876 O HIS A 54 -7.609 -4.759 1.976 1.00 0.00 O ATOM 877 CB HIS A 54 -10.466 -4.552 3.202 1.00 0.00 C ATOM 878 CG HIS A 54 -10.873 -5.992 3.405 1.00 0.00 C ATOM 879 ND1 HIS A 54 -11.441 -6.452 4.581 1.00 0.00 N ATOM 880 CD2 HIS A 54 -10.788 -7.068 2.572 1.00 0.00 C ATOM 881 CE1 HIS A 54 -11.683 -7.748 4.449 1.00 0.00 C ATOM 882 NE2 HIS A 54 -11.277 -8.128 3.204 1.00 0.00 N ATOM 0 H HIS A 54 -8.108 -2.542 2.973 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.127 -4.484 4.833 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -11.215 -3.906 3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.465 -4.332 2.134 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -11.639 -5.889 5.408 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -10.390 -7.059 1.568 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.124 -8.391 5.196 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -11.339 -9.071 2.821 1.00 0.00 H new ATOM 890 N ALA A 55 -7.413 -5.930 3.901 1.00 0.00 N ATOM 891 CA ALA A 55 -6.325 -6.761 3.415 1.00 0.00 C ATOM 892 C ALA A 55 -6.758 -8.228 3.441 1.00 0.00 C ATOM 893 O ALA A 55 -7.607 -8.614 4.243 1.00 0.00 O ATOM 894 CB ALA A 55 -5.073 -6.507 4.257 1.00 0.00 C ATOM 0 H ALA A 55 -7.705 -6.126 4.858 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.081 -6.508 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.257 -7.131 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.790 -5.457 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.279 -6.752 5.299 1.00 0.00 H new ATOM 900 N ASP A 56 -6.155 -9.006 2.555 1.00 0.00 N ATOM 901 CA ASP A 56 -6.467 -10.423 2.467 1.00 0.00 C ATOM 902 C ASP A 56 -5.315 -11.153 1.774 1.00 0.00 C ATOM 903 O ASP A 56 -4.481 -10.526 1.122 1.00 0.00 O ATOM 904 CB ASP A 56 -7.737 -10.656 1.646 1.00 0.00 C ATOM 905 CG ASP A 56 -9.046 -10.362 2.381 1.00 0.00 C ATOM 906 OD1 ASP A 56 -9.052 -10.533 3.619 1.00 0.00 O ATOM 907 OD2 ASP A 56 -10.011 -9.973 1.688 1.00 0.00 O ATOM 0 H ASP A 56 -5.452 -8.682 1.891 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.617 -10.799 3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.693 -10.034 0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.750 -11.694 1.312 1.00 0.00 H new ATOM 912 N VAL A 57 -5.306 -12.467 1.939 1.00 0.00 N ATOM 913 CA VAL A 57 -4.269 -13.290 1.337 1.00 0.00 C ATOM 914 C VAL A 57 -4.908 -14.260 0.342 1.00 0.00 C ATOM 915 O VAL A 57 -5.568 -15.219 0.741 1.00 0.00 O ATOM 916 CB VAL A 57 -3.463 -13.996 2.429 1.00 0.00 C ATOM 917 CG1 VAL A 57 -2.383 -14.893 1.819 1.00 0.00 C ATOM 918 CG2 VAL A 57 -2.852 -12.985 3.401 1.00 0.00 C ATOM 0 H VAL A 57 -6.000 -12.983 2.480 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.564 -12.672 0.780 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.147 -14.630 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.824 -15.383 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.851 -15.648 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.703 -14.288 1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.285 -13.514 4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.189 -12.313 2.857 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.647 -12.407 3.873 1.00 0.00 H new ATOM 928 N GLU A 58 -4.690 -13.979 -0.934 1.00 0.00 N ATOM 929 CA GLU A 58 -5.236 -14.815 -1.989 1.00 0.00 C ATOM 930 C GLU A 58 -4.146 -15.720 -2.567 1.00 0.00 C ATOM 931 O GLU A 58 -3.314 -15.271 -3.354 1.00 0.00 O ATOM 932 CB GLU A 58 -5.880 -13.964 -3.085 1.00 0.00 C ATOM 933 CG GLU A 58 -7.401 -14.136 -3.090 1.00 0.00 C ATOM 934 CD GLU A 58 -7.797 -15.499 -3.659 1.00 0.00 C ATOM 935 OE1 GLU A 58 -7.761 -15.628 -4.901 1.00 0.00 O ATOM 936 OE2 GLU A 58 -8.127 -16.382 -2.838 1.00 0.00 O ATOM 0 H GLU A 58 -4.142 -13.183 -1.261 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.015 -15.446 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.630 -12.915 -2.930 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.475 -14.248 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.785 -14.036 -2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.858 -13.344 -3.683 1.00 0.00 H new ATOM 943 N GLY A 59 -4.185 -16.978 -2.154 1.00 0.00 N ATOM 944 CA GLY A 59 -3.211 -17.950 -2.621 1.00 0.00 C ATOM 945 C GLY A 59 -1.921 -17.871 -1.801 1.00 0.00 C ATOM 946 O GLY A 59 -1.698 -18.687 -0.909 1.00 0.00 O ATOM 0 H GLY A 59 -4.876 -17.347 -1.501 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.630 -18.954 -2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.989 -17.771 -3.673 1.00 0.00 H new ATOM 950 N GLY A 60 -1.107 -16.880 -2.133 1.00 0.00 N ATOM 951 CA GLY A 60 0.154 -16.684 -1.439 1.00 0.00 C ATOM 952 C GLY A 60 0.636 -15.238 -1.576 1.00 0.00 C ATOM 953 O GLY A 60 1.829 -14.963 -1.455 1.00 0.00 O ATOM 0 H GLY A 60 -1.296 -16.204 -2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.036 -16.933 -0.385 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.905 -17.362 -1.844 1.00 0.00 H new ATOM 957 N LYS A 61 -0.317 -14.352 -1.825 1.00 0.00 N ATOM 958 CA LYS A 61 -0.005 -12.941 -1.979 1.00 0.00 C ATOM 959 C LYS A 61 -0.922 -12.118 -1.072 1.00 0.00 C ATOM 960 O LYS A 61 -1.801 -12.667 -0.410 1.00 0.00 O ATOM 961 CB LYS A 61 -0.072 -12.535 -3.453 1.00 0.00 C ATOM 962 CG LYS A 61 0.808 -13.445 -4.313 1.00 0.00 C ATOM 963 CD LYS A 61 0.540 -13.218 -5.802 1.00 0.00 C ATOM 964 CE LYS A 61 0.478 -14.547 -6.556 1.00 0.00 C ATOM 965 NZ LYS A 61 -0.830 -14.699 -7.231 1.00 0.00 N ATOM 0 H LYS A 61 -1.305 -14.584 -1.924 1.00 0.00 H new ATOM 0 HA LYS A 61 1.019 -12.741 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.104 -12.586 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.251 -11.500 -3.564 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.859 -13.253 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.616 -14.488 -4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.399 -12.680 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.325 -12.592 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.281 -14.592 -7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.634 -15.373 -5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.855 -15.607 -7.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.591 -14.677 -6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.964 -13.920 -7.907 1.00 0.00 H new ATOM 979 N VAL A 62 -0.686 -10.814 -1.071 1.00 0.00 N ATOM 980 CA VAL A 62 -1.480 -9.911 -0.257 1.00 0.00 C ATOM 981 C VAL A 62 -2.442 -9.132 -1.156 1.00 0.00 C ATOM 982 O VAL A 62 -2.061 -8.682 -2.236 1.00 0.00 O ATOM 983 CB VAL A 62 -0.562 -9.002 0.564 1.00 0.00 C ATOM 984 CG1 VAL A 62 -1.368 -8.152 1.548 1.00 0.00 C ATOM 985 CG2 VAL A 62 0.507 -9.819 1.293 1.00 0.00 C ATOM 0 H VAL A 62 0.044 -10.362 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.084 -10.472 0.456 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.056 -8.326 -0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.691 -7.516 2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.074 -7.530 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.914 -8.804 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.146 -9.150 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.026 -10.530 1.965 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.111 -10.360 0.565 1.00 0.00 H new ATOM 995 N ARG A 63 -3.670 -8.997 -0.678 1.00 0.00 N ATOM 996 CA ARG A 63 -4.690 -8.281 -1.426 1.00 0.00 C ATOM 997 C ARG A 63 -5.168 -7.061 -0.636 1.00 0.00 C ATOM 998 O ARG A 63 -5.949 -7.193 0.305 1.00 0.00 O ATOM 999 CB ARG A 63 -5.887 -9.185 -1.729 1.00 0.00 C ATOM 1000 CG ARG A 63 -5.572 -10.144 -2.879 1.00 0.00 C ATOM 1001 CD ARG A 63 -5.578 -9.412 -4.222 1.00 0.00 C ATOM 1002 NE ARG A 63 -6.082 -10.309 -5.286 1.00 0.00 N ATOM 1003 CZ ARG A 63 -5.407 -11.365 -5.759 1.00 0.00 C ATOM 1004 NH1 ARG A 63 -4.196 -11.663 -5.267 1.00 0.00 N ATOM 1005 NH2 ARG A 63 -5.942 -12.124 -6.725 1.00 0.00 N ATOM 0 H ARG A 63 -3.982 -9.371 0.218 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.246 -7.958 -2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.152 -9.754 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.753 -8.574 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.598 -10.604 -2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.306 -10.949 -2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.205 -8.523 -4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.571 -9.075 -4.466 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.000 -10.111 -5.684 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.788 -11.085 -4.532 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.683 -12.467 -5.628 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.863 -11.898 -7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.428 -12.928 -7.085 1.00 0.00 H new ATOM 1019 N LEU A 64 -4.680 -5.900 -1.049 1.00 0.00 N ATOM 1020 CA LEU A 64 -5.048 -4.658 -0.391 1.00 0.00 C ATOM 1021 C LEU A 64 -6.262 -4.052 -1.099 1.00 0.00 C ATOM 1022 O LEU A 64 -6.442 -4.240 -2.301 1.00 0.00 O ATOM 1023 CB LEU A 64 -3.846 -3.715 -0.317 1.00 0.00 C ATOM 1024 CG LEU A 64 -2.935 -3.883 0.901 1.00 0.00 C ATOM 1025 CD1 LEU A 64 -1.528 -3.358 0.611 1.00 0.00 C ATOM 1026 CD2 LEU A 64 -3.549 -3.225 2.139 1.00 0.00 C ATOM 0 H LEU A 64 -4.033 -5.794 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.341 -4.846 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.246 -3.852 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.213 -2.689 -0.332 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.843 -4.948 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.902 -3.490 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.099 -3.911 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.580 -2.299 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.882 -3.359 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.691 -2.160 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.512 -3.687 2.357 1.00 0.00 H new ATOM 1038 N TYR A 65 -7.063 -3.337 -0.323 1.00 0.00 N ATOM 1039 CA TYR A 65 -8.255 -2.702 -0.860 1.00 0.00 C ATOM 1040 C TYR A 65 -8.630 -1.462 -0.046 1.00 0.00 C ATOM 1041 O TYR A 65 -8.892 -1.558 1.152 1.00 0.00 O ATOM 1042 CB TYR A 65 -9.375 -3.737 -0.737 1.00 0.00 C ATOM 1043 CG TYR A 65 -9.121 -5.025 -1.522 1.00 0.00 C ATOM 1044 CD1 TYR A 65 -9.025 -4.988 -2.898 1.00 0.00 C ATOM 1045 CD2 TYR A 65 -8.988 -6.225 -0.853 1.00 0.00 C ATOM 1046 CE1 TYR A 65 -8.786 -6.201 -3.636 1.00 0.00 C ATOM 1047 CE2 TYR A 65 -8.749 -7.438 -1.591 1.00 0.00 C ATOM 1048 CZ TYR A 65 -8.659 -7.366 -2.946 1.00 0.00 C ATOM 1049 OH TYR A 65 -8.434 -8.512 -3.644 1.00 0.00 O ATOM 0 H TYR A 65 -6.910 -3.183 0.674 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.090 -2.384 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.512 -3.986 0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.308 -3.291 -1.083 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.129 -4.049 -3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.063 -6.254 0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.709 -6.186 -4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.644 -8.384 -1.080 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.285 -8.296 -4.588 1.00 0.00 H new ATOM 1059 N PHE A 66 -8.644 -0.327 -0.728 1.00 0.00 N ATOM 1060 CA PHE A 66 -8.982 0.930 -0.084 1.00 0.00 C ATOM 1061 C PHE A 66 -10.188 1.586 -0.760 1.00 0.00 C ATOM 1062 O PHE A 66 -10.448 1.350 -1.939 1.00 0.00 O ATOM 1063 CB PHE A 66 -7.768 1.850 -0.230 1.00 0.00 C ATOM 1064 CG PHE A 66 -6.481 1.281 0.370 1.00 0.00 C ATOM 1065 CD1 PHE A 66 -5.687 0.464 -0.373 1.00 0.00 C ATOM 1066 CD2 PHE A 66 -6.131 1.592 1.647 1.00 0.00 C ATOM 1067 CE1 PHE A 66 -4.492 -0.064 0.184 1.00 0.00 C ATOM 1068 CE2 PHE A 66 -4.936 1.064 2.204 1.00 0.00 C ATOM 1069 CZ PHE A 66 -4.142 0.247 1.461 1.00 0.00 C ATOM 0 H PHE A 66 -8.426 -0.252 -1.722 1.00 0.00 H new ATOM 0 HA PHE A 66 -9.236 0.755 0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -7.604 2.054 -1.288 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.989 2.804 0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.965 0.217 -1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.762 2.240 2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.861 -0.712 -0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.658 1.311 3.218 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.234 -0.155 1.885 1.00 0.00 H new ATOM 1079 N HIS A 67 -10.893 2.396 0.016 1.00 0.00 N ATOM 1080 CA HIS A 67 -12.065 3.088 -0.493 1.00 0.00 C ATOM 1081 C HIS A 67 -12.136 4.491 0.111 1.00 0.00 C ATOM 1082 O HIS A 67 -12.167 4.646 1.331 1.00 0.00 O ATOM 1083 CB HIS A 67 -13.332 2.268 -0.239 1.00 0.00 C ATOM 1084 CG HIS A 67 -14.604 2.949 -0.687 1.00 0.00 C ATOM 1085 ND1 HIS A 67 -14.998 4.188 -0.212 1.00 0.00 N ATOM 1086 CD2 HIS A 67 -15.564 2.551 -1.570 1.00 0.00 C ATOM 1087 CE1 HIS A 67 -16.146 4.511 -0.790 1.00 0.00 C ATOM 1088 NE2 HIS A 67 -16.495 3.495 -1.631 1.00 0.00 N ATOM 0 H HIS A 67 -10.675 2.589 0.994 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.985 3.200 -1.574 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.243 1.312 -0.754 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.404 2.050 0.827 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.566 1.625 -2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.707 5.419 -0.624 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -17.333 3.466 -2.211 1.00 0.00 H new ATOM 1096 N VAL A 68 -12.159 5.480 -0.771 1.00 0.00 N ATOM 1097 CA VAL A 68 -12.225 6.866 -0.340 1.00 0.00 C ATOM 1098 C VAL A 68 -13.375 7.567 -1.066 1.00 0.00 C ATOM 1099 O VAL A 68 -13.311 7.782 -2.276 1.00 0.00 O ATOM 1100 CB VAL A 68 -10.874 7.548 -0.563 1.00 0.00 C ATOM 1101 CG1 VAL A 68 -10.890 8.983 -0.033 1.00 0.00 C ATOM 1102 CG2 VAL A 68 -9.741 6.741 0.075 1.00 0.00 C ATOM 0 H VAL A 68 -12.133 5.349 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 68 -12.431 6.924 0.729 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.693 7.590 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.918 9.445 -0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.659 9.554 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.104 8.974 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.791 7.247 -0.098 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.916 6.654 1.147 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.708 5.746 -0.369 1.00 0.00 H new ATOM 1112 N PRO A 69 -14.427 7.912 -0.277 1.00 0.00 N ATOM 1113 CA PRO A 69 -15.590 8.585 -0.832 1.00 0.00 C ATOM 1114 C PRO A 69 -15.284 10.054 -1.128 1.00 0.00 C ATOM 1115 O PRO A 69 -15.197 10.453 -2.288 1.00 0.00 O ATOM 1116 CB PRO A 69 -16.683 8.403 0.208 1.00 0.00 C ATOM 1117 CG PRO A 69 -15.972 8.044 1.502 1.00 0.00 C ATOM 1118 CD PRO A 69 -14.538 7.673 1.159 1.00 0.00 C ATOM 0 HA PRO A 69 -15.899 8.170 -1.791 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -17.268 9.316 0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -17.376 7.616 -0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.993 8.885 2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -16.474 7.212 1.995 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.827 8.281 1.718 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -14.329 6.632 1.405 1.00 0.00 H new ATOM 1126 N ASP A 70 -15.130 10.820 -0.058 1.00 0.00 N ATOM 1127 CA ASP A 70 -14.836 12.237 -0.188 1.00 0.00 C ATOM 1128 C ASP A 70 -13.847 12.445 -1.336 1.00 0.00 C ATOM 1129 O ASP A 70 -13.859 13.487 -1.991 1.00 0.00 O ATOM 1130 CB ASP A 70 -14.200 12.788 1.090 1.00 0.00 C ATOM 1131 CG ASP A 70 -14.831 14.075 1.624 1.00 0.00 C ATOM 1132 OD1 ASP A 70 -15.155 14.940 0.782 1.00 0.00 O ATOM 1133 OD2 ASP A 70 -14.974 14.165 2.862 1.00 0.00 O ATOM 0 H ASP A 70 -15.203 10.486 0.903 1.00 0.00 H new ATOM 0 HA ASP A 70 -15.774 12.759 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -14.258 12.024 1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.142 12.971 0.902 1.00 0.00 H new ATOM 1138 N GLU A 71 -13.012 11.437 -1.546 1.00 0.00 N ATOM 1139 CA GLU A 71 -12.018 11.496 -2.604 1.00 0.00 C ATOM 1140 C GLU A 71 -10.930 12.514 -2.254 1.00 0.00 C ATOM 1141 O GLU A 71 -10.700 13.463 -3.001 1.00 0.00 O ATOM 1142 CB GLU A 71 -12.667 11.829 -3.949 1.00 0.00 C ATOM 1143 CG GLU A 71 -12.711 10.598 -4.856 1.00 0.00 C ATOM 1144 CD GLU A 71 -12.296 10.954 -6.285 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -11.125 11.357 -6.452 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -13.160 10.817 -7.177 1.00 0.00 O ATOM 0 H GLU A 71 -13.004 10.575 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.554 10.514 -2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.678 12.202 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.108 12.626 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.048 9.828 -4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.718 10.180 -4.859 1.00 0.00 H new ATOM 1153 N ALA A 72 -10.291 12.281 -1.117 1.00 0.00 N ATOM 1154 CA ALA A 72 -9.233 13.166 -0.658 1.00 0.00 C ATOM 1155 C ALA A 72 -7.915 12.764 -1.322 1.00 0.00 C ATOM 1156 O ALA A 72 -7.578 11.582 -1.376 1.00 0.00 O ATOM 1157 CB ALA A 72 -9.155 13.120 0.869 1.00 0.00 C ATOM 0 H ALA A 72 -10.485 11.492 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.444 14.197 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.362 13.784 1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -10.107 13.442 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.941 12.101 1.192 1.00 0.00 H new ATOM 1163 N PRO A 73 -7.186 13.796 -1.824 1.00 0.00 N ATOM 1164 CA PRO A 73 -5.912 13.563 -2.482 1.00 0.00 C ATOM 1165 C PRO A 73 -4.818 13.241 -1.462 1.00 0.00 C ATOM 1166 O PRO A 73 -3.867 12.525 -1.771 1.00 0.00 O ATOM 1167 CB PRO A 73 -5.635 14.834 -3.268 1.00 0.00 C ATOM 1168 CG PRO A 73 -6.526 15.904 -2.656 1.00 0.00 C ATOM 1169 CD PRO A 73 -7.553 15.209 -1.778 1.00 0.00 C ATOM 0 HA PRO A 73 -5.934 12.698 -3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -4.584 15.115 -3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.860 14.696 -4.326 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -5.933 16.604 -2.068 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.020 16.482 -3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.526 15.592 -0.758 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.565 15.368 -2.151 1.00 0.00 H new ATOM 1177 N THR A 74 -4.990 13.786 -0.266 1.00 0.00 N ATOM 1178 CA THR A 74 -4.030 13.566 0.802 1.00 0.00 C ATOM 1179 C THR A 74 -4.375 12.292 1.575 1.00 0.00 C ATOM 1180 O THR A 74 -3.550 11.776 2.328 1.00 0.00 O ATOM 1181 CB THR A 74 -4.001 14.820 1.678 1.00 0.00 C ATOM 1182 OG1 THR A 74 -2.711 14.792 2.282 1.00 0.00 O ATOM 1183 CG2 THR A 74 -4.969 14.731 2.859 1.00 0.00 C ATOM 0 H THR A 74 -5.780 14.379 -0.013 1.00 0.00 H new ATOM 0 HA THR A 74 -3.027 13.406 0.406 1.00 0.00 H new ATOM 0 HB THR A 74 -4.247 15.692 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.504 13.878 2.568 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.909 15.646 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.986 14.605 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.703 13.879 3.484 1.00 0.00 H new ATOM 1191 N VAL A 75 -5.595 11.822 1.364 1.00 0.00 N ATOM 1192 CA VAL A 75 -6.060 10.619 2.032 1.00 0.00 C ATOM 1193 C VAL A 75 -5.820 9.411 1.124 1.00 0.00 C ATOM 1194 O VAL A 75 -5.383 8.358 1.587 1.00 0.00 O ATOM 1195 CB VAL A 75 -7.526 10.779 2.439 1.00 0.00 C ATOM 1196 CG1 VAL A 75 -8.104 9.453 2.940 1.00 0.00 C ATOM 1197 CG2 VAL A 75 -7.687 11.879 3.490 1.00 0.00 C ATOM 0 H VAL A 75 -6.276 12.253 0.739 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.498 10.452 2.951 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.088 11.077 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.147 9.595 3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.041 8.706 2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.536 9.113 3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.739 11.972 3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.105 11.624 4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.333 12.826 3.083 1.00 0.00 H new ATOM 1207 N LYS A 76 -6.116 9.604 -0.153 1.00 0.00 N ATOM 1208 CA LYS A 76 -5.938 8.544 -1.131 1.00 0.00 C ATOM 1209 C LYS A 76 -4.443 8.327 -1.376 1.00 0.00 C ATOM 1210 O LYS A 76 -3.978 7.190 -1.434 1.00 0.00 O ATOM 1211 CB LYS A 76 -6.731 8.849 -2.403 1.00 0.00 C ATOM 1212 CG LYS A 76 -7.346 7.574 -2.985 1.00 0.00 C ATOM 1213 CD LYS A 76 -8.070 7.866 -4.301 1.00 0.00 C ATOM 1214 CE LYS A 76 -8.024 6.653 -5.232 1.00 0.00 C ATOM 1215 NZ LYS A 76 -9.295 6.526 -5.981 1.00 0.00 N ATOM 0 H LYS A 76 -6.478 10.479 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.339 7.605 -0.751 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.519 9.568 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.076 9.311 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.565 6.833 -3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.046 7.144 -2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.107 8.134 -4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.609 8.723 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.192 6.754 -5.929 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.845 5.748 -4.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.247 5.698 -6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.082 6.408 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.450 7.383 -6.550 1.00 0.00 H new ATOM 1229 N ALA A 77 -3.731 9.437 -1.511 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.299 9.382 -1.748 1.00 0.00 C ATOM 1231 C ALA A 77 -1.681 8.296 -0.866 1.00 0.00 C ATOM 1232 O ALA A 77 -1.182 7.291 -1.370 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.686 10.761 -1.491 1.00 0.00 C ATOM 0 H ALA A 77 -4.119 10.379 -1.461 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.092 9.121 -2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.611 10.720 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.138 11.491 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.872 11.055 -0.458 1.00 0.00 H new ATOM 1239 N PHE A 78 -1.735 8.534 0.436 1.00 0.00 N ATOM 1240 CA PHE A 78 -1.187 7.588 1.393 1.00 0.00 C ATOM 1241 C PHE A 78 -1.705 6.174 1.125 1.00 0.00 C ATOM 1242 O PHE A 78 -0.923 5.260 0.870 1.00 0.00 O ATOM 1243 CB PHE A 78 -1.652 8.035 2.781 1.00 0.00 C ATOM 1244 CG PHE A 78 -0.728 7.597 3.918 1.00 0.00 C ATOM 1245 CD1 PHE A 78 0.357 8.350 4.241 1.00 0.00 C ATOM 1246 CD2 PHE A 78 -0.991 6.454 4.607 1.00 0.00 C ATOM 1247 CE1 PHE A 78 1.215 7.944 5.297 1.00 0.00 C ATOM 1248 CE2 PHE A 78 -0.133 6.048 5.663 1.00 0.00 C ATOM 1249 CZ PHE A 78 0.952 6.801 5.986 1.00 0.00 C ATOM 0 H PHE A 78 -2.150 9.368 0.851 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.100 7.568 1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.735 9.122 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.650 7.637 2.964 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.566 9.257 3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.853 5.855 4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.077 8.543 5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.342 5.141 6.210 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.605 6.492 6.789 1.00 0.00 H new ATOM 1259 N ALA A 79 -3.022 6.038 1.192 1.00 0.00 N ATOM 1260 CA ALA A 79 -3.654 4.751 0.959 1.00 0.00 C ATOM 1261 C ALA A 79 -2.975 4.060 -0.225 1.00 0.00 C ATOM 1262 O ALA A 79 -2.637 2.880 -0.149 1.00 0.00 O ATOM 1263 CB ALA A 79 -5.154 4.952 0.734 1.00 0.00 C ATOM 0 H ALA A 79 -3.668 6.798 1.404 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.538 4.104 1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.628 3.986 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.595 5.419 1.615 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.309 5.595 -0.133 1.00 0.00 H new ATOM 1269 N GLY A 80 -2.794 4.826 -1.291 1.00 0.00 N ATOM 1270 CA GLY A 80 -2.161 4.302 -2.490 1.00 0.00 C ATOM 1271 C GLY A 80 -0.700 3.935 -2.222 1.00 0.00 C ATOM 1272 O GLY A 80 -0.174 2.994 -2.815 1.00 0.00 O ATOM 0 H GLY A 80 -3.074 5.805 -1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.703 3.422 -2.837 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.213 5.044 -3.287 1.00 0.00 H new ATOM 1276 N LEU A 81 -0.086 4.697 -1.329 1.00 0.00 N ATOM 1277 CA LEU A 81 1.304 4.464 -0.976 1.00 0.00 C ATOM 1278 C LEU A 81 1.448 3.058 -0.390 1.00 0.00 C ATOM 1279 O LEU A 81 2.474 2.406 -0.576 1.00 0.00 O ATOM 1280 CB LEU A 81 1.815 5.571 -0.051 1.00 0.00 C ATOM 1281 CG LEU A 81 2.625 5.110 1.163 1.00 0.00 C ATOM 1282 CD1 LEU A 81 4.033 4.675 0.749 1.00 0.00 C ATOM 1283 CD2 LEU A 81 2.654 6.191 2.245 1.00 0.00 C ATOM 0 H LEU A 81 -0.526 5.476 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 81 1.935 4.506 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.432 6.251 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.959 6.144 0.305 1.00 0.00 H new ATOM 0 HG LEU A 81 2.132 4.238 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.588 4.352 1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.965 3.850 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.550 5.513 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.236 5.838 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.111 7.096 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.636 6.411 2.567 1.00 0.00 H new ATOM 1295 N LEU A 82 0.405 2.632 0.307 1.00 0.00 N ATOM 1296 CA LEU A 82 0.402 1.316 0.922 1.00 0.00 C ATOM 1297 C LEU A 82 0.354 0.247 -0.172 1.00 0.00 C ATOM 1298 O LEU A 82 1.163 -0.679 -0.176 1.00 0.00 O ATOM 1299 CB LEU A 82 -0.732 1.203 1.942 1.00 0.00 C ATOM 1300 CG LEU A 82 -0.607 2.087 3.185 1.00 0.00 C ATOM 1301 CD1 LEU A 82 0.666 1.758 3.966 1.00 0.00 C ATOM 1302 CD2 LEU A 82 -0.685 3.569 2.813 1.00 0.00 C ATOM 0 H LEU A 82 -0.444 3.176 0.459 1.00 0.00 H new ATOM 0 HA LEU A 82 1.322 1.157 1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.670 1.445 1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.802 0.164 2.265 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.451 1.875 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.730 2.400 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.640 0.715 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.536 1.924 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.594 4.176 3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.125 3.815 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.642 3.774 2.333 1.00 0.00 H new ATOM 1314 N ARG A 83 -0.603 0.411 -1.073 1.00 0.00 N ATOM 1315 CA ARG A 83 -0.768 -0.528 -2.170 1.00 0.00 C ATOM 1316 C ARG A 83 0.356 -0.351 -3.193 1.00 0.00 C ATOM 1317 O ARG A 83 0.536 -1.191 -4.073 1.00 0.00 O ATOM 1318 CB ARG A 83 -2.117 -0.332 -2.865 1.00 0.00 C ATOM 1319 CG ARG A 83 -2.360 -1.425 -3.908 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.894 -0.829 -5.212 1.00 0.00 C ATOM 1321 NE ARG A 83 -3.677 -1.846 -5.950 1.00 0.00 N ATOM 1322 CZ ARG A 83 -4.811 -2.396 -5.494 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -5.301 -2.032 -4.302 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -5.454 -3.312 -6.232 1.00 0.00 N ATOM 0 H ARG A 83 -1.273 1.180 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.730 -1.535 -1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.917 -0.346 -2.125 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.144 0.646 -3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.431 -1.960 -4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.072 -2.153 -3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.519 0.037 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.065 -0.479 -5.828 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.332 -2.147 -6.862 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.811 -1.336 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.164 -2.451 -3.956 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.080 -3.590 -7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.317 -3.731 -5.886 1.00 0.00 H new ATOM 1338 N GLU A 84 1.082 0.747 -3.043 1.00 0.00 N ATOM 1339 CA GLU A 84 2.183 1.044 -3.943 1.00 0.00 C ATOM 1340 C GLU A 84 3.300 0.012 -3.775 1.00 0.00 C ATOM 1341 O GLU A 84 3.953 -0.365 -4.746 1.00 0.00 O ATOM 1342 CB GLU A 84 2.709 2.463 -3.716 1.00 0.00 C ATOM 1343 CG GLU A 84 3.953 2.451 -2.826 1.00 0.00 C ATOM 1344 CD GLU A 84 5.195 2.048 -3.624 1.00 0.00 C ATOM 1345 OE1 GLU A 84 5.507 2.773 -4.593 1.00 0.00 O ATOM 1346 OE2 GLU A 84 5.804 1.023 -3.247 1.00 0.00 O ATOM 0 H GLU A 84 0.929 1.442 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 84 1.814 0.988 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.948 2.924 -4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.933 3.073 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.102 3.439 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.806 1.756 -1.999 1.00 0.00 H new ATOM 1353 N GLY A 85 3.485 -0.415 -2.534 1.00 0.00 N ATOM 1354 CA GLY A 85 4.512 -1.396 -2.226 1.00 0.00 C ATOM 1355 C GLY A 85 4.019 -2.393 -1.175 1.00 0.00 C ATOM 1356 O GLY A 85 4.645 -2.557 -0.128 1.00 0.00 O ATOM 0 H GLY A 85 2.941 -0.100 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.795 -1.929 -3.134 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.406 -0.890 -1.862 1.00 0.00 H new ATOM 1360 N LEU A 86 2.903 -3.034 -1.490 1.00 0.00 N ATOM 1361 CA LEU A 86 2.320 -4.010 -0.585 1.00 0.00 C ATOM 1362 C LEU A 86 1.453 -4.985 -1.385 1.00 0.00 C ATOM 1363 O LEU A 86 1.571 -6.199 -1.226 1.00 0.00 O ATOM 1364 CB LEU A 86 1.570 -3.308 0.549 1.00 0.00 C ATOM 1365 CG LEU A 86 2.398 -2.350 1.408 1.00 0.00 C ATOM 1366 CD1 LEU A 86 1.500 -1.542 2.348 1.00 0.00 C ATOM 1367 CD2 LEU A 86 3.493 -3.101 2.167 1.00 0.00 C ATOM 0 H LEU A 86 2.387 -2.897 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 86 3.101 -4.598 -0.103 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.738 -2.751 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.141 -4.069 1.200 1.00 0.00 H new ATOM 0 HG LEU A 86 2.894 -1.640 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.113 -0.869 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 86 0.789 -0.960 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.957 -2.221 3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.067 -2.397 2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.038 -3.848 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.156 -3.594 1.456 1.00 0.00 H new ATOM 1379 N GLU A 87 0.602 -4.417 -2.227 1.00 0.00 N ATOM 1380 CA GLU A 87 -0.284 -5.221 -3.051 1.00 0.00 C ATOM 1381 C GLU A 87 0.522 -6.244 -3.854 1.00 0.00 C ATOM 1382 O GLU A 87 1.439 -5.880 -4.589 1.00 0.00 O ATOM 1383 CB GLU A 87 -1.125 -4.338 -3.975 1.00 0.00 C ATOM 1384 CG GLU A 87 -1.913 -5.186 -4.976 1.00 0.00 C ATOM 1385 CD GLU A 87 -1.625 -4.746 -6.413 1.00 0.00 C ATOM 1386 OE1 GLU A 87 -0.459 -4.905 -6.833 1.00 0.00 O ATOM 1387 OE2 GLU A 87 -2.579 -4.260 -7.059 1.00 0.00 O ATOM 0 H GLU A 87 0.507 -3.410 -2.356 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.969 -5.760 -2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.813 -3.736 -3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.477 -3.645 -4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.650 -6.237 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.980 -5.098 -4.772 1.00 0.00 H new ATOM 1394 N GLY A 88 0.151 -7.505 -3.688 1.00 0.00 N ATOM 1395 CA GLY A 88 0.827 -8.584 -4.388 1.00 0.00 C ATOM 1396 C GLY A 88 1.979 -9.143 -3.551 1.00 0.00 C ATOM 1397 O GLY A 88 2.545 -10.183 -3.884 1.00 0.00 O ATOM 0 H GLY A 88 -0.610 -7.804 -3.078 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.116 -9.379 -4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.209 -8.220 -5.342 1.00 0.00 H new ATOM 1401 N GLU A 89 2.292 -8.428 -2.481 1.00 0.00 N ATOM 1402 CA GLU A 89 3.367 -8.841 -1.593 1.00 0.00 C ATOM 1403 C GLU A 89 2.903 -9.989 -0.696 1.00 0.00 C ATOM 1404 O GLU A 89 1.798 -10.504 -0.861 1.00 0.00 O ATOM 1405 CB GLU A 89 3.871 -7.662 -0.759 1.00 0.00 C ATOM 1406 CG GLU A 89 4.342 -6.516 -1.657 1.00 0.00 C ATOM 1407 CD GLU A 89 5.483 -6.969 -2.570 1.00 0.00 C ATOM 1408 OE1 GLU A 89 6.397 -7.641 -2.046 1.00 0.00 O ATOM 1409 OE2 GLU A 89 5.415 -6.632 -3.772 1.00 0.00 O ATOM 0 H GLU A 89 1.821 -7.565 -2.208 1.00 0.00 H new ATOM 0 HA GLU A 89 4.199 -9.196 -2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.075 -7.310 -0.102 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.691 -7.989 -0.120 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.509 -6.156 -2.261 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.674 -5.680 -1.042 1.00 0.00 H new ATOM 1416 N SER A 90 3.770 -10.358 0.236 1.00 0.00 N ATOM 1417 CA SER A 90 3.463 -11.436 1.160 1.00 0.00 C ATOM 1418 C SER A 90 2.833 -10.870 2.434 1.00 0.00 C ATOM 1419 O SER A 90 2.953 -9.678 2.713 1.00 0.00 O ATOM 1420 CB SER A 90 4.717 -12.244 1.501 1.00 0.00 C ATOM 1421 OG SER A 90 5.908 -11.485 1.310 1.00 0.00 O ATOM 0 H SER A 90 4.686 -9.929 0.371 1.00 0.00 H new ATOM 0 HA SER A 90 2.752 -12.107 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.662 -12.579 2.537 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.753 -13.138 0.879 1.00 0.00 H new ATOM 0 HG SER A 90 6.686 -12.034 1.540 1.00 0.00 H new ATOM 1427 N PRO A 91 2.160 -11.775 3.193 1.00 0.00 N ATOM 1428 CA PRO A 91 1.511 -11.378 4.431 1.00 0.00 C ATOM 1429 C PRO A 91 2.539 -11.159 5.543 1.00 0.00 C ATOM 1430 O PRO A 91 2.211 -10.624 6.601 1.00 0.00 O ATOM 1431 CB PRO A 91 0.532 -12.499 4.740 1.00 0.00 C ATOM 1432 CG PRO A 91 0.996 -13.694 3.923 1.00 0.00 C ATOM 1433 CD PRO A 91 1.998 -13.195 2.894 1.00 0.00 C ATOM 0 HA PRO A 91 0.990 -10.425 4.345 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.528 -12.732 5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -0.485 -12.214 4.472 1.00 0.00 H new ATOM 0 HG2 PRO A 91 1.453 -14.443 4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.149 -14.172 3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 91 2.946 -13.727 2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.632 -13.347 1.879 1.00 0.00 H new ATOM 1441 N GLU A 92 3.763 -11.584 5.266 1.00 0.00 N ATOM 1442 CA GLU A 92 4.841 -11.441 6.229 1.00 0.00 C ATOM 1443 C GLU A 92 5.635 -10.163 5.951 1.00 0.00 C ATOM 1444 O GLU A 92 6.076 -9.488 6.880 1.00 0.00 O ATOM 1445 CB GLU A 92 5.755 -12.668 6.215 1.00 0.00 C ATOM 1446 CG GLU A 92 4.938 -13.959 6.140 1.00 0.00 C ATOM 1447 CD GLU A 92 5.350 -14.933 7.246 1.00 0.00 C ATOM 1448 OE1 GLU A 92 5.096 -14.596 8.422 1.00 0.00 O ATOM 1449 OE2 GLU A 92 5.910 -15.993 6.890 1.00 0.00 O ATOM 0 H GLU A 92 4.032 -12.028 4.388 1.00 0.00 H new ATOM 0 HA GLU A 92 4.405 -11.365 7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.432 -12.612 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.373 -12.676 7.113 1.00 0.00 H new ATOM 0 HG2 GLU A 92 3.877 -13.728 6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.080 -14.428 5.166 1.00 0.00 H new ATOM 1456 N ALA A 93 5.793 -9.869 4.669 1.00 0.00 N ATOM 1457 CA ALA A 93 6.526 -8.684 4.258 1.00 0.00 C ATOM 1458 C ALA A 93 5.652 -7.447 4.477 1.00 0.00 C ATOM 1459 O ALA A 93 6.144 -6.321 4.440 1.00 0.00 O ATOM 1460 CB ALA A 93 6.966 -8.836 2.800 1.00 0.00 C ATOM 0 H ALA A 93 5.426 -10.431 3.901 1.00 0.00 H new ATOM 0 HA ALA A 93 7.427 -8.562 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.516 -7.947 2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.608 -9.712 2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.088 -8.958 2.166 1.00 0.00 H new ATOM 1466 N VAL A 94 4.371 -7.700 4.700 1.00 0.00 N ATOM 1467 CA VAL A 94 3.424 -6.621 4.926 1.00 0.00 C ATOM 1468 C VAL A 94 3.351 -6.316 6.423 1.00 0.00 C ATOM 1469 O VAL A 94 3.207 -5.160 6.818 1.00 0.00 O ATOM 1470 CB VAL A 94 2.065 -6.984 4.323 1.00 0.00 C ATOM 1471 CG1 VAL A 94 0.944 -6.162 4.963 1.00 0.00 C ATOM 1472 CG2 VAL A 94 2.074 -6.807 2.803 1.00 0.00 C ATOM 0 H VAL A 94 3.967 -8.636 4.729 1.00 0.00 H new ATOM 0 HA VAL A 94 3.755 -5.711 4.425 1.00 0.00 H new ATOM 0 HB VAL A 94 1.874 -8.036 4.537 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -0.011 -6.439 4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 94 0.915 -6.359 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 94 1.129 -5.101 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.096 -7.072 2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.298 -5.769 2.559 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.834 -7.455 2.366 1.00 0.00 H new ATOM 1482 N LEU A 95 3.454 -7.373 7.216 1.00 0.00 N ATOM 1483 CA LEU A 95 3.402 -7.233 8.661 1.00 0.00 C ATOM 1484 C LEU A 95 4.713 -6.619 9.157 1.00 0.00 C ATOM 1485 O LEU A 95 4.712 -5.805 10.079 1.00 0.00 O ATOM 1486 CB LEU A 95 3.063 -8.572 9.317 1.00 0.00 C ATOM 1487 CG LEU A 95 1.573 -8.886 9.469 1.00 0.00 C ATOM 1488 CD1 LEU A 95 0.930 -7.996 10.534 1.00 0.00 C ATOM 1489 CD2 LEU A 95 0.851 -8.783 8.124 1.00 0.00 C ATOM 0 H LEU A 95 3.573 -8.330 6.884 1.00 0.00 H new ATOM 0 HA LEU A 95 2.601 -6.552 8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.524 -9.368 8.732 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.522 -8.596 10.305 1.00 0.00 H new ATOM 0 HG LEU A 95 1.475 -9.917 9.809 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.129 -8.240 10.621 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.421 -8.163 11.493 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.039 -6.950 10.248 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.206 -9.011 8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.957 -7.772 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.288 -9.493 7.421 1.00 0.00 H new ATOM 1501 N GLU A 96 5.800 -7.033 8.523 1.00 0.00 N ATOM 1502 CA GLU A 96 7.115 -6.535 8.888 1.00 0.00 C ATOM 1503 C GLU A 96 7.159 -5.011 8.763 1.00 0.00 C ATOM 1504 O GLU A 96 8.058 -4.366 9.300 1.00 0.00 O ATOM 1505 CB GLU A 96 8.205 -7.186 8.034 1.00 0.00 C ATOM 1506 CG GLU A 96 8.192 -6.629 6.609 1.00 0.00 C ATOM 1507 CD GLU A 96 9.481 -6.989 5.868 1.00 0.00 C ATOM 1508 OE1 GLU A 96 10.415 -7.463 6.550 1.00 0.00 O ATOM 1509 OE2 GLU A 96 9.503 -6.781 4.636 1.00 0.00 O ATOM 0 H GLU A 96 5.797 -7.708 7.758 1.00 0.00 H new ATOM 0 HA GLU A 96 7.306 -6.801 9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.180 -7.011 8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.055 -8.265 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.334 -7.026 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.076 -5.546 6.639 1.00 0.00 H new ATOM 1516 N VAL A 97 6.176 -4.479 8.051 1.00 0.00 N ATOM 1517 CA VAL A 97 6.091 -3.043 7.849 1.00 0.00 C ATOM 1518 C VAL A 97 5.564 -2.383 9.125 1.00 0.00 C ATOM 1519 O VAL A 97 4.459 -2.685 9.574 1.00 0.00 O ATOM 1520 CB VAL A 97 5.232 -2.737 6.620 1.00 0.00 C ATOM 1521 CG1 VAL A 97 5.435 -1.294 6.155 1.00 0.00 C ATOM 1522 CG2 VAL A 97 5.524 -3.724 5.488 1.00 0.00 C ATOM 0 H VAL A 97 5.432 -5.017 7.607 1.00 0.00 H new ATOM 0 HA VAL A 97 7.079 -2.626 7.651 1.00 0.00 H new ATOM 0 HB VAL A 97 4.186 -2.853 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.813 -1.103 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.154 -0.611 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 97 6.482 -1.139 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.901 -3.485 4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.575 -3.654 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.305 -4.738 5.824 1.00 0.00 H new ATOM 1532 N PRO A 98 6.401 -1.471 9.688 1.00 0.00 N ATOM 1533 CA PRO A 98 6.031 -0.766 10.904 1.00 0.00 C ATOM 1534 C PRO A 98 4.990 0.317 10.614 1.00 0.00 C ATOM 1535 O PRO A 98 4.755 0.665 9.458 1.00 0.00 O ATOM 1536 CB PRO A 98 7.336 -0.205 11.446 1.00 0.00 C ATOM 1537 CG PRO A 98 8.312 -0.219 10.281 1.00 0.00 C ATOM 1538 CD PRO A 98 7.717 -1.088 9.185 1.00 0.00 C ATOM 0 HA PRO A 98 5.556 -1.416 11.639 1.00 0.00 H new ATOM 0 HB2 PRO A 98 7.198 0.807 11.827 1.00 0.00 H new ATOM 0 HB3 PRO A 98 7.707 -0.810 12.274 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.484 0.793 9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.278 -0.612 10.597 1.00 0.00 H new ATOM 0 HD2 PRO A 98 7.638 -0.541 8.245 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.338 -1.963 8.993 1.00 0.00 H new ATOM 1546 N PRO A 99 4.378 0.834 11.713 1.00 0.00 N ATOM 1547 CA PRO A 99 3.367 1.871 11.588 1.00 0.00 C ATOM 1548 C PRO A 99 4.005 3.223 11.265 1.00 0.00 C ATOM 1549 O PRO A 99 3.307 4.225 11.122 1.00 0.00 O ATOM 1550 CB PRO A 99 2.631 1.864 12.918 1.00 0.00 C ATOM 1551 CG PRO A 99 3.548 1.153 13.899 1.00 0.00 C ATOM 1552 CD PRO A 99 4.630 0.447 13.098 1.00 0.00 C ATOM 0 HA PRO A 99 2.677 1.689 10.764 1.00 0.00 H new ATOM 0 HB2 PRO A 99 2.416 2.880 13.250 1.00 0.00 H new ATOM 0 HB3 PRO A 99 1.675 1.347 12.832 1.00 0.00 H new ATOM 0 HG2 PRO A 99 3.991 1.867 14.593 1.00 0.00 H new ATOM 0 HG3 PRO A 99 2.985 0.435 14.496 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.625 0.754 13.420 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.574 -0.634 13.224 1.00 0.00 H new ATOM 1560 N GLY A 100 5.326 3.208 11.160 1.00 0.00 N ATOM 1561 CA GLY A 100 6.067 4.421 10.856 1.00 0.00 C ATOM 1562 C GLY A 100 7.130 4.161 9.787 1.00 0.00 C ATOM 1563 O GLY A 100 8.217 4.734 9.836 1.00 0.00 O ATOM 0 H GLY A 100 5.902 2.375 11.280 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.380 5.194 10.511 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.542 4.798 11.762 1.00 0.00 H new ATOM 1567 N PHE A 101 6.780 3.295 8.847 1.00 0.00 N ATOM 1568 CA PHE A 101 7.690 2.952 7.769 1.00 0.00 C ATOM 1569 C PHE A 101 7.979 4.169 6.887 1.00 0.00 C ATOM 1570 O PHE A 101 9.029 4.243 6.250 1.00 0.00 O ATOM 1571 CB PHE A 101 7.000 1.879 6.925 1.00 0.00 C ATOM 1572 CG PHE A 101 5.764 2.377 6.173 1.00 0.00 C ATOM 1573 CD1 PHE A 101 5.905 3.221 5.116 1.00 0.00 C ATOM 1574 CD2 PHE A 101 4.524 1.977 6.562 1.00 0.00 C ATOM 1575 CE1 PHE A 101 4.758 3.684 4.418 1.00 0.00 C ATOM 1576 CE2 PHE A 101 3.377 2.439 5.865 1.00 0.00 C ATOM 1577 CZ PHE A 101 3.518 3.283 4.808 1.00 0.00 C ATOM 0 H PHE A 101 5.878 2.821 8.810 1.00 0.00 H new ATOM 0 HA PHE A 101 8.637 2.601 8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.715 1.482 6.205 1.00 0.00 H new ATOM 0 HB3 PHE A 101 6.709 1.053 7.574 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.890 3.539 4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.412 1.307 7.402 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.870 4.354 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.392 2.120 6.174 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.645 3.635 4.278 1.00 0.00 H new ATOM 1587 N TYR A 102 7.030 5.093 6.880 1.00 0.00 N ATOM 1588 CA TYR A 102 7.170 6.303 6.087 1.00 0.00 C ATOM 1589 C TYR A 102 8.053 7.328 6.802 1.00 0.00 C ATOM 1590 O TYR A 102 8.435 8.339 6.215 1.00 0.00 O ATOM 1591 CB TYR A 102 5.759 6.877 5.942 1.00 0.00 C ATOM 1592 CG TYR A 102 5.036 7.098 7.272 1.00 0.00 C ATOM 1593 CD1 TYR A 102 5.224 8.272 7.973 1.00 0.00 C ATOM 1594 CD2 TYR A 102 4.197 6.123 7.772 1.00 0.00 C ATOM 1595 CE1 TYR A 102 4.545 8.480 9.225 1.00 0.00 C ATOM 1596 CE2 TYR A 102 3.518 6.331 9.025 1.00 0.00 C ATOM 1597 CZ TYR A 102 3.725 7.499 9.689 1.00 0.00 C ATOM 1598 OH TYR A 102 3.083 7.695 10.872 1.00 0.00 O ATOM 0 H TYR A 102 6.161 5.029 7.410 1.00 0.00 H new ATOM 0 HA TYR A 102 7.632 6.080 5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 102 5.817 7.827 5.410 1.00 0.00 H new ATOM 0 HB3 TYR A 102 5.165 6.202 5.325 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.881 9.035 7.582 1.00 0.00 H new ATOM 0 HD2 TYR A 102 4.050 5.204 7.224 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.683 9.394 9.783 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.859 5.576 9.428 1.00 0.00 H new ATOM 0 HH TYR A 102 3.497 8.445 11.348 1.00 0.00 H new ATOM 1608 N ARG A 103 8.351 7.031 8.058 1.00 0.00 N ATOM 1609 CA ARG A 103 9.183 7.913 8.859 1.00 0.00 C ATOM 1610 C ARG A 103 10.487 8.226 8.123 1.00 0.00 C ATOM 1611 O ARG A 103 11.011 7.384 7.396 1.00 0.00 O ATOM 1612 CB ARG A 103 9.508 7.283 10.214 1.00 0.00 C ATOM 1613 CG ARG A 103 8.309 7.367 11.160 1.00 0.00 C ATOM 1614 CD ARG A 103 8.762 7.364 12.622 1.00 0.00 C ATOM 1615 NE ARG A 103 8.696 8.735 13.175 1.00 0.00 N ATOM 1616 CZ ARG A 103 8.614 9.014 14.483 1.00 0.00 C ATOM 1617 NH1 ARG A 103 8.587 8.020 15.380 1.00 0.00 N ATOM 1618 NH2 ARG A 103 8.559 10.289 14.894 1.00 0.00 N ATOM 0 H ARG A 103 8.031 6.192 8.541 1.00 0.00 H new ATOM 0 HA ARG A 103 8.626 8.835 9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.794 6.240 10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 103 10.363 7.791 10.659 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.741 8.274 10.953 1.00 0.00 H new ATOM 0 HG3 ARG A 103 7.640 6.525 10.981 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.129 6.696 13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.780 6.982 12.695 1.00 0.00 H new ATOM 0 HE ARG A 103 8.714 9.516 12.520 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.629 7.050 15.068 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.525 8.233 16.376 1.00 0.00 H new ATOM 0 HH21 ARG A 103 8.580 11.046 14.211 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.497 10.502 15.890 1.00 0.00 H new ATOM 1632 N GLY A 104 10.973 9.440 8.337 1.00 0.00 N ATOM 1633 CA GLY A 104 12.206 9.875 7.703 1.00 0.00 C ATOM 1634 C GLY A 104 12.143 9.676 6.187 1.00 0.00 C ATOM 1635 O GLY A 104 12.736 8.738 5.656 1.00 0.00 O ATOM 0 H GLY A 104 10.535 10.136 8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.384 10.927 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 104 13.047 9.315 8.112 1.00 0.00 H new ATOM 1639 N TYR A 105 11.420 10.573 5.534 1.00 0.00 N ATOM 1640 CA TYR A 105 11.272 10.508 4.090 1.00 0.00 C ATOM 1641 C TYR A 105 10.582 11.763 3.552 1.00 0.00 C ATOM 1642 O TYR A 105 11.071 12.391 2.614 1.00 0.00 O ATOM 1643 CB TYR A 105 10.384 9.293 3.812 1.00 0.00 C ATOM 1644 CG TYR A 105 11.144 7.967 3.751 1.00 0.00 C ATOM 1645 CD1 TYR A 105 12.218 7.826 2.897 1.00 0.00 C ATOM 1646 CD2 TYR A 105 10.755 6.912 4.551 1.00 0.00 C ATOM 1647 CE1 TYR A 105 12.934 6.577 2.840 1.00 0.00 C ATOM 1648 CE2 TYR A 105 11.470 5.663 4.494 1.00 0.00 C ATOM 1649 CZ TYR A 105 12.524 5.558 3.642 1.00 0.00 C ATOM 1650 OH TYR A 105 13.200 4.379 3.588 1.00 0.00 O ATOM 0 H TYR A 105 10.930 11.349 5.978 1.00 0.00 H new ATOM 0 HA TYR A 105 12.246 10.433 3.607 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.622 9.228 4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.863 9.445 2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 105 12.522 8.652 2.271 1.00 0.00 H new ATOM 0 HD2 TYR A 105 9.914 7.023 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 105 13.777 6.453 2.176 1.00 0.00 H new ATOM 0 HE2 TYR A 105 11.176 4.829 5.114 1.00 0.00 H new ATOM 0 HH TYR A 105 13.435 4.095 4.496 1.00 0.00 H new ATOM 1660 N GLY A 106 9.457 12.092 4.169 1.00 0.00 N ATOM 1661 CA GLY A 106 8.695 13.261 3.764 1.00 0.00 C ATOM 1662 C GLY A 106 7.271 13.206 4.319 1.00 0.00 C ATOM 1663 O GLY A 106 6.768 14.198 4.847 1.00 0.00 O ATOM 0 H GLY A 106 9.054 11.569 4.947 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.192 14.164 4.118 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.663 13.320 2.676 1.00 0.00 H new ATOM 1667 N LEU A 107 6.660 12.039 4.182 1.00 0.00 N ATOM 1668 CA LEU A 107 5.304 11.842 4.663 1.00 0.00 C ATOM 1669 C LEU A 107 5.133 12.561 6.003 1.00 0.00 C ATOM 1670 O LEU A 107 4.039 13.017 6.331 1.00 0.00 O ATOM 1671 CB LEU A 107 4.966 10.351 4.719 1.00 0.00 C ATOM 1672 CG LEU A 107 5.293 9.542 3.462 1.00 0.00 C ATOM 1673 CD1 LEU A 107 5.059 10.372 2.198 1.00 0.00 C ATOM 1674 CD2 LEU A 107 6.716 8.983 3.525 1.00 0.00 C ATOM 0 H LEU A 107 7.080 11.219 3.744 1.00 0.00 H new ATOM 0 HA LEU A 107 4.587 12.282 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.499 9.909 5.561 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.901 10.248 4.927 1.00 0.00 H new ATOM 0 HG LEU A 107 4.614 8.691 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.299 9.773 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.014 10.680 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.697 11.256 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.923 8.412 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.427 9.805 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.813 8.333 4.394 1.00 0.00 H new ATOM 1686 N GLU A 108 6.231 12.641 6.739 1.00 0.00 N ATOM 1687 CA GLU A 108 6.217 13.297 8.036 1.00 0.00 C ATOM 1688 C GLU A 108 5.675 14.722 7.903 1.00 0.00 C ATOM 1689 O GLU A 108 4.669 15.068 8.521 1.00 0.00 O ATOM 1690 CB GLU A 108 7.611 13.297 8.666 1.00 0.00 C ATOM 1691 CG GLU A 108 7.676 12.333 9.852 1.00 0.00 C ATOM 1692 CD GLU A 108 8.581 12.883 10.957 1.00 0.00 C ATOM 1693 OE1 GLU A 108 8.057 13.658 11.786 1.00 0.00 O ATOM 1694 OE2 GLU A 108 9.775 12.515 10.947 1.00 0.00 O ATOM 0 H GLU A 108 7.137 12.262 6.462 1.00 0.00 H new ATOM 0 HA GLU A 108 5.556 12.737 8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.352 13.011 7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.865 14.304 8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.673 12.168 10.247 1.00 0.00 H new ATOM 0 HG3 GLU A 108 8.050 11.365 9.518 1.00 0.00 H new ATOM 1701 N GLU A 109 6.366 15.511 7.093 1.00 0.00 N ATOM 1702 CA GLU A 109 5.967 16.890 6.872 1.00 0.00 C ATOM 1703 C GLU A 109 4.891 16.964 5.787 1.00 0.00 C ATOM 1704 O GLU A 109 4.017 17.828 5.832 1.00 0.00 O ATOM 1705 CB GLU A 109 7.173 17.758 6.508 1.00 0.00 C ATOM 1706 CG GLU A 109 7.734 17.371 5.138 1.00 0.00 C ATOM 1707 CD GLU A 109 7.459 18.464 4.104 1.00 0.00 C ATOM 1708 OE1 GLU A 109 8.312 19.371 3.996 1.00 0.00 O ATOM 1709 OE2 GLU A 109 6.402 18.367 3.444 1.00 0.00 O ATOM 0 H GLU A 109 7.200 15.221 6.582 1.00 0.00 H new ATOM 0 HA GLU A 109 5.547 17.279 7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.881 18.808 6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 109 7.948 17.647 7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 109 8.808 17.201 5.216 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.286 16.433 4.809 1.00 0.00 H new ATOM 1716 N PHE A 110 4.990 16.046 4.837 1.00 0.00 N ATOM 1717 CA PHE A 110 4.036 15.996 3.742 1.00 0.00 C ATOM 1718 C PHE A 110 2.608 15.839 4.266 1.00 0.00 C ATOM 1719 O PHE A 110 1.706 16.565 3.849 1.00 0.00 O ATOM 1720 CB PHE A 110 4.393 14.774 2.893 1.00 0.00 C ATOM 1721 CG PHE A 110 4.990 15.117 1.527 1.00 0.00 C ATOM 1722 CD1 PHE A 110 4.221 15.720 0.581 1.00 0.00 C ATOM 1723 CD2 PHE A 110 6.290 14.821 1.259 1.00 0.00 C ATOM 1724 CE1 PHE A 110 4.775 16.038 -0.687 1.00 0.00 C ATOM 1725 CE2 PHE A 110 6.844 15.139 -0.008 1.00 0.00 C ATOM 1726 CZ PHE A 110 6.075 15.742 -0.955 1.00 0.00 C ATOM 0 H PHE A 110 5.716 15.331 4.803 1.00 0.00 H new ATOM 0 HA PHE A 110 4.083 16.920 3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.103 14.157 3.444 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.496 14.173 2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.189 15.957 0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 110 6.901 14.344 2.011 1.00 0.00 H new ATOM 0 HE1 PHE A 110 4.164 16.515 -1.439 1.00 0.00 H new ATOM 0 HE2 PHE A 110 7.876 14.902 -0.221 1.00 0.00 H new ATOM 0 HZ PHE A 110 6.497 15.985 -1.919 1.00 0.00 H new ATOM 1736 N PHE A 111 2.445 14.886 5.172 1.00 0.00 N ATOM 1737 CA PHE A 111 1.142 14.625 5.758 1.00 0.00 C ATOM 1738 C PHE A 111 1.134 14.958 7.251 1.00 0.00 C ATOM 1739 O PHE A 111 0.242 14.531 7.982 1.00 0.00 O ATOM 1740 CB PHE A 111 0.863 13.131 5.580 1.00 0.00 C ATOM 1741 CG PHE A 111 0.638 12.709 4.127 1.00 0.00 C ATOM 1742 CD1 PHE A 111 -0.552 12.965 3.520 1.00 0.00 C ATOM 1743 CD2 PHE A 111 1.629 12.077 3.441 1.00 0.00 C ATOM 1744 CE1 PHE A 111 -0.760 12.573 2.171 1.00 0.00 C ATOM 1745 CE2 PHE A 111 1.420 11.685 2.092 1.00 0.00 C ATOM 1746 CZ PHE A 111 0.230 11.942 1.486 1.00 0.00 C ATOM 0 H PHE A 111 3.195 14.285 5.515 1.00 0.00 H new ATOM 0 HA PHE A 111 0.386 15.242 5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 111 1.701 12.564 5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.017 12.864 6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.339 13.466 4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.574 11.874 3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -1.705 12.776 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.206 11.183 1.548 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.071 11.645 0.460 1.00 0.00 H new ATOM 1756 N THR A 112 2.140 15.719 7.660 1.00 0.00 N ATOM 1757 CA THR A 112 2.260 16.114 9.053 1.00 0.00 C ATOM 1758 C THR A 112 2.235 14.883 9.961 1.00 0.00 C ATOM 1759 O THR A 112 1.885 13.789 9.521 1.00 0.00 O ATOM 1760 CB THR A 112 1.146 17.117 9.358 1.00 0.00 C ATOM 1761 OG1 THR A 112 0.010 16.301 9.634 1.00 0.00 O ATOM 1762 CG2 THR A 112 0.732 17.926 8.126 1.00 0.00 C ATOM 0 H THR A 112 2.878 16.072 7.051 1.00 0.00 H new ATOM 0 HA THR A 112 3.216 16.601 9.245 1.00 0.00 H new ATOM 0 HB THR A 112 1.475 17.796 10.145 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.364 15.966 8.793 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.061 18.622 8.398 1.00 0.00 H new ATOM 0 HG22 THR A 112 1.591 18.483 7.751 1.00 0.00 H new ATOM 0 HG23 THR A 112 0.371 17.250 7.351 1.00 0.00 H new ATOM 1770 N PRO A 113 2.621 15.109 11.246 1.00 0.00 N ATOM 1771 CA PRO A 113 2.646 14.031 12.220 1.00 0.00 C ATOM 1772 C PRO A 113 1.230 13.668 12.672 1.00 0.00 C ATOM 1773 O PRO A 113 1.032 12.667 13.359 1.00 0.00 O ATOM 1774 CB PRO A 113 3.518 14.546 13.353 1.00 0.00 C ATOM 1775 CG PRO A 113 3.568 16.056 13.189 1.00 0.00 C ATOM 1776 CD PRO A 113 3.042 16.391 11.802 1.00 0.00 C ATOM 0 HA PRO A 113 3.051 13.105 11.813 1.00 0.00 H new ATOM 0 HB2 PRO A 113 3.101 14.272 14.322 1.00 0.00 H new ATOM 0 HB3 PRO A 113 4.518 14.115 13.303 1.00 0.00 H new ATOM 0 HG2 PRO A 113 2.964 16.543 13.954 1.00 0.00 H new ATOM 0 HG3 PRO A 113 4.589 16.420 13.309 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.210 17.093 11.853 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.813 16.855 11.187 1.00 0.00 H new ATOM 1784 N LEU A 114 0.283 14.501 12.269 1.00 0.00 N ATOM 1785 CA LEU A 114 -1.109 14.281 12.624 1.00 0.00 C ATOM 1786 C LEU A 114 -1.762 13.379 11.575 1.00 0.00 C ATOM 1787 O LEU A 114 -2.094 12.229 11.859 1.00 0.00 O ATOM 1788 CB LEU A 114 -1.830 15.615 12.822 1.00 0.00 C ATOM 1789 CG LEU A 114 -2.937 15.630 13.879 1.00 0.00 C ATOM 1790 CD1 LEU A 114 -2.505 16.422 15.114 1.00 0.00 C ATOM 1791 CD2 LEU A 114 -4.248 16.155 13.291 1.00 0.00 C ATOM 0 H LEU A 114 0.452 15.330 11.700 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.180 13.762 13.580 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.090 16.369 13.089 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.262 15.917 11.868 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.116 14.604 14.201 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.310 16.417 15.849 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.615 15.965 15.547 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.282 17.450 14.827 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.018 16.156 14.062 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.101 17.171 12.924 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.560 15.513 12.467 1.00 0.00 H new ATOM 1803 N ARG A 115 -1.926 13.935 10.383 1.00 0.00 N ATOM 1804 CA ARG A 115 -2.534 13.195 9.290 1.00 0.00 C ATOM 1805 C ARG A 115 -1.986 11.767 9.246 1.00 0.00 C ATOM 1806 O ARG A 115 -2.660 10.854 8.773 1.00 0.00 O ATOM 1807 CB ARG A 115 -2.266 13.878 7.947 1.00 0.00 C ATOM 1808 CG ARG A 115 -3.496 13.804 7.040 1.00 0.00 C ATOM 1809 CD ARG A 115 -4.017 15.204 6.708 1.00 0.00 C ATOM 1810 NE ARG A 115 -5.326 15.425 7.361 1.00 0.00 N ATOM 1811 CZ ARG A 115 -5.475 15.779 8.645 1.00 0.00 C ATOM 1812 NH1 ARG A 115 -4.397 15.953 9.421 1.00 0.00 N ATOM 1813 NH2 ARG A 115 -6.702 15.958 9.152 1.00 0.00 N ATOM 0 H ARG A 115 -1.649 14.889 10.150 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.610 13.170 9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -1.994 14.920 8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -1.418 13.402 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -3.242 13.279 6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.280 13.227 7.531 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -3.303 15.956 7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.116 15.318 5.628 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.168 15.300 6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -3.463 15.816 9.035 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -4.510 16.222 10.398 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.522 15.825 8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.816 16.227 10.129 1.00 0.00 H new ATOM 1827 N LEU A 116 -0.768 11.619 9.747 1.00 0.00 N ATOM 1828 CA LEU A 116 -0.122 10.318 9.770 1.00 0.00 C ATOM 1829 C LEU A 116 -0.727 9.473 10.894 1.00 0.00 C ATOM 1830 O LEU A 116 -1.212 8.369 10.653 1.00 0.00 O ATOM 1831 CB LEU A 116 1.397 10.475 9.869 1.00 0.00 C ATOM 1832 CG LEU A 116 2.101 10.985 8.610 1.00 0.00 C ATOM 1833 CD1 LEU A 116 3.504 11.502 8.937 1.00 0.00 C ATOM 1834 CD2 LEU A 116 2.127 9.909 7.522 1.00 0.00 C ATOM 0 H LEU A 116 -0.212 12.379 10.140 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.304 9.786 8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.619 11.159 10.688 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.826 9.509 10.135 1.00 0.00 H new ATOM 0 HG LEU A 116 1.530 11.827 8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.982 11.858 8.025 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.432 12.321 9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.098 10.695 9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.633 10.297 6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 116 2.661 9.033 7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.106 9.630 7.262 1.00 0.00 H new ATOM 1846 N ARG A 117 -0.678 10.025 12.097 1.00 0.00 N ATOM 1847 CA ARG A 117 -1.215 9.336 13.259 1.00 0.00 C ATOM 1848 C ARG A 117 -2.502 8.597 12.889 1.00 0.00 C ATOM 1849 O ARG A 117 -2.711 7.460 13.309 1.00 0.00 O ATOM 1850 CB ARG A 117 -1.507 10.318 14.395 1.00 0.00 C ATOM 1851 CG ARG A 117 -0.297 10.462 15.321 1.00 0.00 C ATOM 1852 CD ARG A 117 -0.738 10.725 16.762 1.00 0.00 C ATOM 1853 NE ARG A 117 0.448 10.878 17.634 1.00 0.00 N ATOM 1854 CZ ARG A 117 0.390 10.995 18.968 1.00 0.00 C ATOM 1855 NH1 ARG A 117 -0.797 10.976 19.591 1.00 0.00 N ATOM 1856 NH2 ARG A 117 1.518 11.130 19.678 1.00 0.00 N ATOM 0 H ARG A 117 -0.275 10.941 12.293 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.465 8.620 13.597 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.770 11.291 13.980 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.368 9.972 14.967 1.00 0.00 H new ATOM 0 HG2 ARG A 117 0.306 9.555 15.281 1.00 0.00 H new ATOM 0 HG3 ARG A 117 0.335 11.280 14.975 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -1.350 11.626 16.805 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.357 9.902 17.118 1.00 0.00 H new ATOM 0 HE ARG A 117 1.367 10.896 17.192 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -1.655 10.873 19.050 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -0.842 11.065 20.606 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.421 11.144 19.203 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.474 11.219 20.693 1.00 0.00 H new ATOM 1870 N GLY A 118 -3.331 9.272 12.106 1.00 0.00 N ATOM 1871 CA GLY A 118 -4.592 8.693 11.675 1.00 0.00 C ATOM 1872 C GLY A 118 -4.372 7.666 10.562 1.00 0.00 C ATOM 1873 O GLY A 118 -4.998 6.607 10.557 1.00 0.00 O ATOM 0 H GLY A 118 -3.154 10.215 11.759 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -5.086 8.217 12.522 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -5.256 9.481 11.321 1.00 0.00 H new ATOM 1877 N LEU A 119 -3.480 8.016 9.647 1.00 0.00 N ATOM 1878 CA LEU A 119 -3.169 7.138 8.531 1.00 0.00 C ATOM 1879 C LEU A 119 -2.594 5.825 9.066 1.00 0.00 C ATOM 1880 O LEU A 119 -3.017 4.745 8.657 1.00 0.00 O ATOM 1881 CB LEU A 119 -2.256 7.847 7.529 1.00 0.00 C ATOM 1882 CG LEU A 119 -2.944 8.810 6.560 1.00 0.00 C ATOM 1883 CD1 LEU A 119 -1.915 9.642 5.791 1.00 0.00 C ATOM 1884 CD2 LEU A 119 -3.891 8.059 5.621 1.00 0.00 C ATOM 0 H LEU A 119 -2.963 8.895 9.655 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.075 6.888 7.979 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -1.500 8.401 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -1.732 7.090 6.946 1.00 0.00 H new ATOM 0 HG LEU A 119 -3.550 9.505 7.141 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -2.430 10.318 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.317 10.222 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -1.264 8.979 5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -4.367 8.767 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -3.326 7.327 5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.655 7.548 6.207 1.00 0.00 H new ATOM 1896 N GLU A 120 -1.637 5.961 9.972 1.00 0.00 N ATOM 1897 CA GLU A 120 -0.999 4.799 10.567 1.00 0.00 C ATOM 1898 C GLU A 120 -2.028 3.693 10.807 1.00 0.00 C ATOM 1899 O GLU A 120 -1.789 2.534 10.470 1.00 0.00 O ATOM 1900 CB GLU A 120 -0.282 5.172 11.867 1.00 0.00 C ATOM 1901 CG GLU A 120 0.864 6.149 11.599 1.00 0.00 C ATOM 1902 CD GLU A 120 1.441 6.690 12.910 1.00 0.00 C ATOM 1903 OE1 GLU A 120 1.566 5.879 13.852 1.00 0.00 O ATOM 1904 OE2 GLU A 120 1.744 7.902 12.939 1.00 0.00 O ATOM 0 H GLU A 120 -1.288 6.858 10.309 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.248 4.425 9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.992 5.620 12.562 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.106 4.272 12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.648 5.648 11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.506 6.976 10.986 1.00 0.00 H new ATOM 1911 N ALA A 121 -3.151 4.089 11.388 1.00 0.00 N ATOM 1912 CA ALA A 121 -4.218 3.146 11.677 1.00 0.00 C ATOM 1913 C ALA A 121 -4.429 2.235 10.465 1.00 0.00 C ATOM 1914 O ALA A 121 -4.490 1.015 10.604 1.00 0.00 O ATOM 1915 CB ALA A 121 -5.486 3.910 12.060 1.00 0.00 C ATOM 0 H ALA A 121 -3.345 5.051 11.667 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.952 2.513 12.523 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -6.286 3.202 12.277 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.291 4.519 12.943 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.786 4.555 11.234 1.00 0.00 H new ATOM 1921 N ALA A 122 -4.536 2.864 9.304 1.00 0.00 N ATOM 1922 CA ALA A 122 -4.740 2.127 8.069 1.00 0.00 C ATOM 1923 C ALA A 122 -3.875 0.865 8.085 1.00 0.00 C ATOM 1924 O ALA A 122 -4.396 -0.249 8.098 1.00 0.00 O ATOM 1925 CB ALA A 122 -4.428 3.032 6.876 1.00 0.00 C ATOM 0 H ALA A 122 -4.485 3.877 9.193 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.780 1.814 7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -4.581 2.479 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -5.089 3.899 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.392 3.364 6.933 1.00 0.00 H new ATOM 1931 N LEU A 123 -2.568 1.082 8.085 1.00 0.00 N ATOM 1932 CA LEU A 123 -1.626 -0.024 8.099 1.00 0.00 C ATOM 1933 C LEU A 123 -1.920 -0.924 9.301 1.00 0.00 C ATOM 1934 O LEU A 123 -2.249 -2.098 9.137 1.00 0.00 O ATOM 1935 CB LEU A 123 -0.187 0.496 8.059 1.00 0.00 C ATOM 1936 CG LEU A 123 0.906 -0.564 7.916 1.00 0.00 C ATOM 1937 CD1 LEU A 123 1.564 -0.858 9.265 1.00 0.00 C ATOM 1938 CD2 LEU A 123 0.358 -1.831 7.257 1.00 0.00 C ATOM 0 H LEU A 123 -2.139 2.007 8.076 1.00 0.00 H new ATOM 0 HA LEU A 123 -1.745 -0.636 7.205 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -0.098 1.196 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -0.000 1.061 8.972 1.00 0.00 H new ATOM 0 HG LEU A 123 1.681 -0.169 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 123 2.337 -1.615 9.135 1.00 0.00 H new ATOM 0 HD12 LEU A 123 2.012 0.055 9.658 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.812 -1.224 9.965 1.00 0.00 H new ATOM 0 HD21 LEU A 123 1.156 -2.569 7.167 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -0.447 -2.240 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.025 -1.589 6.266 1.00 0.00 H new ATOM 1950 N LEU A 124 -1.792 -0.339 10.483 1.00 0.00 N ATOM 1951 CA LEU A 124 -2.040 -1.074 11.712 1.00 0.00 C ATOM 1952 C LEU A 124 -3.240 -2.002 11.513 1.00 0.00 C ATOM 1953 O LEU A 124 -3.206 -3.162 11.921 1.00 0.00 O ATOM 1954 CB LEU A 124 -2.198 -0.109 12.890 1.00 0.00 C ATOM 1955 CG LEU A 124 -0.960 0.711 13.255 1.00 0.00 C ATOM 1956 CD1 LEU A 124 -1.341 1.943 14.079 1.00 0.00 C ATOM 1957 CD2 LEU A 124 0.082 -0.154 13.967 1.00 0.00 C ATOM 0 H LEU A 124 -1.520 0.635 10.616 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.186 -1.705 11.958 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -3.012 0.580 12.663 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.501 -0.683 13.766 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.504 1.069 12.332 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -0.442 2.508 14.325 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.018 2.572 13.501 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -1.834 1.628 14.998 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.952 0.454 14.215 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.348 -0.563 14.882 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.385 -0.971 13.312 1.00 0.00 H new ATOM 1969 N ARG A 125 -4.272 -1.457 10.885 1.00 0.00 N ATOM 1970 CA ARG A 125 -5.480 -2.222 10.627 1.00 0.00 C ATOM 1971 C ARG A 125 -5.188 -3.359 9.646 1.00 0.00 C ATOM 1972 O ARG A 125 -5.333 -4.532 9.988 1.00 0.00 O ATOM 1973 CB ARG A 125 -6.583 -1.332 10.052 1.00 0.00 C ATOM 1974 CG ARG A 125 -7.119 -0.368 11.113 1.00 0.00 C ATOM 1975 CD ARG A 125 -8.626 -0.157 10.950 1.00 0.00 C ATOM 1976 NE ARG A 125 -9.366 -1.162 11.746 1.00 0.00 N ATOM 1977 CZ ARG A 125 -9.564 -1.076 13.068 1.00 0.00 C ATOM 1978 NH1 ARG A 125 -9.079 -0.030 13.752 1.00 0.00 N ATOM 1979 NH2 ARG A 125 -10.248 -2.035 13.707 1.00 0.00 N ATOM 0 H ARG A 125 -4.296 -0.495 10.547 1.00 0.00 H new ATOM 0 HA ARG A 125 -5.821 -2.635 11.577 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -6.194 -0.767 9.205 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -7.396 -1.952 9.675 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -6.909 -0.762 12.107 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -6.603 0.589 11.034 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -8.898 0.848 11.274 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -8.902 -0.239 9.899 1.00 0.00 H new ATOM 0 HE ARG A 125 -9.749 -1.971 11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -8.559 0.701 13.266 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -9.230 0.035 14.759 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -10.618 -2.831 13.187 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -10.399 -1.969 14.714 1.00 0.00 H new ATOM 1993 N LEU A 126 -4.783 -2.972 8.445 1.00 0.00 N ATOM 1994 CA LEU A 126 -4.470 -3.945 7.412 1.00 0.00 C ATOM 1995 C LEU A 126 -3.680 -5.101 8.028 1.00 0.00 C ATOM 1996 O LEU A 126 -4.079 -6.259 7.918 1.00 0.00 O ATOM 1997 CB LEU A 126 -3.757 -3.269 6.238 1.00 0.00 C ATOM 1998 CG LEU A 126 -4.523 -2.139 5.549 1.00 0.00 C ATOM 1999 CD1 LEU A 126 -3.608 -1.347 4.613 1.00 0.00 C ATOM 2000 CD2 LEU A 126 -5.758 -2.677 4.823 1.00 0.00 C ATOM 0 H LEU A 126 -4.664 -1.999 8.164 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.385 -4.369 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -2.807 -2.872 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -3.524 -4.030 5.493 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.875 -1.448 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -4.178 -0.550 4.136 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.788 -0.914 5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -3.205 -2.012 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.285 -1.853 4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.450 -3.401 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.420 -3.161 5.541 1.00 0.00 H new ATOM 2012 N GLN A 127 -2.572 -4.746 8.664 1.00 0.00 N ATOM 2013 CA GLN A 127 -1.723 -5.740 9.298 1.00 0.00 C ATOM 2014 C GLN A 127 -2.570 -6.729 10.100 1.00 0.00 C ATOM 2015 O GLN A 127 -2.273 -7.922 10.133 1.00 0.00 O ATOM 2016 CB GLN A 127 -0.669 -5.074 10.186 1.00 0.00 C ATOM 2017 CG GLN A 127 0.262 -4.185 9.359 1.00 0.00 C ATOM 2018 CD GLN A 127 1.665 -4.145 9.969 1.00 0.00 C ATOM 2019 OE1 GLN A 127 1.845 -4.002 11.167 1.00 0.00 O ATOM 2020 NE2 GLN A 127 2.645 -4.278 9.079 1.00 0.00 N ATOM 0 H GLN A 127 -2.243 -3.785 8.753 1.00 0.00 H new ATOM 0 HA GLN A 127 -1.198 -6.292 8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -1.160 -4.477 10.954 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -0.086 -5.838 10.700 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.316 -4.560 8.337 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.145 -3.175 9.307 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.424 -4.394 8.090 1.00 0.00 H new ATOM 0 HE22 GLN A 127 3.618 -4.264 9.386 1.00 0.00 H new ATOM 2029 N ALA A 128 -3.609 -6.197 10.726 1.00 0.00 N ATOM 2030 CA ALA A 128 -4.502 -7.018 11.526 1.00 0.00 C ATOM 2031 C ALA A 128 -5.365 -7.877 10.599 1.00 0.00 C ATOM 2032 O ALA A 128 -5.617 -9.046 10.887 1.00 0.00 O ATOM 2033 CB ALA A 128 -5.341 -6.122 12.438 1.00 0.00 C ATOM 0 H ALA A 128 -3.853 -5.207 10.696 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.933 -7.692 12.166 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -6.011 -6.738 13.038 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.683 -5.555 13.096 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -5.928 -5.433 11.831 1.00 0.00 H new ATOM 2039 N GLN A 129 -5.795 -7.264 9.506 1.00 0.00 N ATOM 2040 CA GLN A 129 -6.624 -7.957 8.535 1.00 0.00 C ATOM 2041 C GLN A 129 -5.848 -9.115 7.905 1.00 0.00 C ATOM 2042 O GLN A 129 -6.433 -10.133 7.539 1.00 0.00 O ATOM 2043 CB GLN A 129 -7.137 -6.993 7.464 1.00 0.00 C ATOM 2044 CG GLN A 129 -8.098 -5.965 8.066 1.00 0.00 C ATOM 2045 CD GLN A 129 -9.109 -5.484 7.023 1.00 0.00 C ATOM 2046 OE1 GLN A 129 -9.512 -6.210 6.130 1.00 0.00 O ATOM 2047 NE2 GLN A 129 -9.494 -4.222 7.187 1.00 0.00 N ATOM 0 H GLN A 129 -5.584 -6.294 9.271 1.00 0.00 H new ATOM 0 HA GLN A 129 -7.491 -8.366 9.053 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -6.296 -6.480 6.998 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -7.644 -7.553 6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -8.625 -6.406 8.912 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -7.534 -5.115 8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -9.117 -3.670 7.957 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -10.167 -3.806 6.543 1.00 0.00 H new ATOM 2056 N VAL A 130 -4.542 -8.921 7.798 1.00 0.00 N ATOM 2057 CA VAL A 130 -3.679 -9.936 7.218 1.00 0.00 C ATOM 2058 C VAL A 130 -3.421 -11.033 8.253 1.00 0.00 C ATOM 2059 O VAL A 130 -3.731 -12.199 8.018 1.00 0.00 O ATOM 2060 CB VAL A 130 -2.393 -9.294 6.694 1.00 0.00 C ATOM 2061 CG1 VAL A 130 -1.480 -10.339 6.051 1.00 0.00 C ATOM 2062 CG2 VAL A 130 -2.705 -8.161 5.714 1.00 0.00 C ATOM 0 H VAL A 130 -4.060 -8.075 8.103 1.00 0.00 H new ATOM 0 HA VAL A 130 -4.164 -10.405 6.362 1.00 0.00 H new ATOM 0 HB VAL A 130 -1.863 -8.865 7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.573 -9.856 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -1.216 -11.096 6.790 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -1.999 -10.812 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -1.773 -7.722 5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -3.268 -8.556 4.868 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -3.297 -7.397 6.218 1.00 0.00 H new ATOM 2072 N ARG A 131 -2.857 -10.619 9.378 1.00 0.00 N ATOM 2073 CA ARG A 131 -2.554 -11.551 10.451 1.00 0.00 C ATOM 2074 C ARG A 131 -3.699 -12.550 10.625 1.00 0.00 C ATOM 2075 O ARG A 131 -3.466 -13.723 10.912 1.00 0.00 O ATOM 2076 CB ARG A 131 -2.323 -10.815 11.772 1.00 0.00 C ATOM 2077 CG ARG A 131 -1.002 -10.043 11.746 1.00 0.00 C ATOM 2078 CD ARG A 131 -1.000 -8.924 12.789 1.00 0.00 C ATOM 2079 NE ARG A 131 0.215 -9.015 13.628 1.00 0.00 N ATOM 2080 CZ ARG A 131 0.532 -8.138 14.590 1.00 0.00 C ATOM 2081 NH1 ARG A 131 -0.275 -7.098 14.840 1.00 0.00 N ATOM 2082 NH2 ARG A 131 1.655 -8.300 15.302 1.00 0.00 N ATOM 0 H ARG A 131 -2.602 -9.650 9.570 1.00 0.00 H new ATOM 0 HA ARG A 131 -1.641 -12.082 10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -3.147 -10.126 11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -2.314 -11.530 12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -0.174 -10.725 11.938 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -0.843 -9.620 10.754 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -1.038 -7.954 12.293 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -1.890 -8.997 13.414 1.00 0.00 H new ATOM 0 HE ARG A 131 0.852 -9.795 13.464 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -1.130 -6.974 14.298 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -0.034 -6.430 15.572 1.00 0.00 H new ATOM 0 HH21 ARG A 131 2.270 -9.092 15.112 1.00 0.00 H new ATOM 0 HH22 ARG A 131 1.896 -7.632 16.034 1.00 0.00 H new ATOM 2096 N LYS A 132 -4.912 -12.048 10.443 1.00 0.00 N ATOM 2097 CA LYS A 132 -6.095 -12.882 10.577 1.00 0.00 C ATOM 2098 C LYS A 132 -6.062 -13.980 9.512 1.00 0.00 C ATOM 2099 O LYS A 132 -6.305 -15.148 9.811 1.00 0.00 O ATOM 2100 CB LYS A 132 -7.362 -12.026 10.539 1.00 0.00 C ATOM 2101 CG LYS A 132 -8.474 -12.727 9.757 1.00 0.00 C ATOM 2102 CD LYS A 132 -8.457 -12.308 8.285 1.00 0.00 C ATOM 2103 CE LYS A 132 -9.003 -13.423 7.392 1.00 0.00 C ATOM 2104 NZ LYS A 132 -10.475 -13.319 7.274 1.00 0.00 N ATOM 0 H LYS A 132 -5.101 -11.075 10.204 1.00 0.00 H new ATOM 0 HA LYS A 132 -6.103 -13.378 11.547 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -7.699 -11.824 11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -7.141 -11.063 10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -8.351 -13.807 9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -9.441 -12.484 10.197 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -9.054 -11.406 8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -7.438 -12.062 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -8.548 -13.361 6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -8.733 -14.394 7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -10.829 -14.083 6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -10.906 -13.401 8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.726 -12.400 6.857 1.00 0.00 H new ATOM 2118 N ALA A 133 -5.761 -13.566 8.290 1.00 0.00 N ATOM 2119 CA ALA A 133 -5.693 -14.499 7.178 1.00 0.00 C ATOM 2120 C ALA A 133 -4.775 -15.664 7.551 1.00 0.00 C ATOM 2121 O ALA A 133 -5.136 -16.826 7.371 1.00 0.00 O ATOM 2122 CB ALA A 133 -5.222 -13.764 5.922 1.00 0.00 C ATOM 0 H ALA A 133 -5.561 -12.596 8.045 1.00 0.00 H new ATOM 0 HA ALA A 133 -6.679 -14.912 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -5.171 -14.464 5.088 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -5.924 -12.965 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.234 -13.338 6.099 1.00 0.00 H new ATOM 2128 N LEU A 134 -3.605 -15.313 8.064 1.00 0.00 N ATOM 2129 CA LEU A 134 -2.631 -16.315 8.464 1.00 0.00 C ATOM 2130 C LEU A 134 -3.344 -17.438 9.221 1.00 0.00 C ATOM 2131 O LEU A 134 -3.042 -18.614 9.021 1.00 0.00 O ATOM 2132 CB LEU A 134 -1.491 -15.669 9.253 1.00 0.00 C ATOM 2133 CG LEU A 134 -0.489 -14.850 8.436 1.00 0.00 C ATOM 2134 CD1 LEU A 134 -1.160 -13.621 7.819 1.00 0.00 C ATOM 2135 CD2 LEU A 134 0.730 -14.475 9.280 1.00 0.00 C ATOM 0 H LEU A 134 -3.309 -14.348 8.212 1.00 0.00 H new ATOM 0 HA LEU A 134 -2.165 -16.766 7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -1.925 -15.021 10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.947 -16.455 9.776 1.00 0.00 H new ATOM 0 HG LEU A 134 -0.132 -15.469 7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -0.426 -13.056 7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.969 -13.940 7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -1.563 -12.990 8.611 1.00 0.00 H new ATOM 0 HD21 LEU A 134 1.426 -13.894 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 134 0.411 -13.882 10.137 1.00 0.00 H new ATOM 0 HD23 LEU A 134 1.223 -15.382 9.630 1.00 0.00 H new ATOM 2147 N THR A 135 -4.275 -17.036 10.073 1.00 0.00 N ATOM 2148 CA THR A 135 -5.032 -17.994 10.860 1.00 0.00 C ATOM 2149 C THR A 135 -6.290 -18.430 10.105 1.00 0.00 C ATOM 2150 O THR A 135 -6.792 -19.533 10.313 1.00 0.00 O ATOM 2151 CB THR A 135 -5.330 -17.358 12.220 1.00 0.00 C ATOM 2152 OG1 THR A 135 -5.915 -18.415 12.976 1.00 0.00 O ATOM 2153 CG2 THR A 135 -6.433 -16.301 12.143 1.00 0.00 C ATOM 0 H THR A 135 -4.522 -16.060 10.236 1.00 0.00 H new ATOM 0 HA THR A 135 -4.460 -18.906 11.029 1.00 0.00 H new ATOM 0 HB THR A 135 -4.421 -16.906 12.616 1.00 0.00 H new ATOM 0 HG1 THR A 135 -6.138 -18.091 13.873 1.00 0.00 H new ATOM 0 HG21 THR A 135 -6.605 -15.882 13.134 1.00 0.00 H new ATOM 0 HG22 THR A 135 -6.129 -15.507 11.461 1.00 0.00 H new ATOM 0 HG23 THR A 135 -7.352 -16.760 11.779 1.00 0.00 H new ATOM 2161 N SER A 136 -6.761 -17.540 9.243 1.00 0.00 N ATOM 2162 CA SER A 136 -7.950 -17.819 8.455 1.00 0.00 C ATOM 2163 C SER A 136 -8.057 -16.823 7.299 1.00 0.00 C ATOM 2164 O SER A 136 -8.415 -17.198 6.184 1.00 0.00 O ATOM 2165 CB SER A 136 -9.210 -17.764 9.322 1.00 0.00 C ATOM 2166 OG SER A 136 -10.198 -18.695 8.887 1.00 0.00 O ATOM 0 H SER A 136 -6.341 -16.626 9.073 1.00 0.00 H new ATOM 0 HA SER A 136 -7.864 -18.827 8.050 1.00 0.00 H new ATOM 0 HB2 SER A 136 -8.946 -17.973 10.359 1.00 0.00 H new ATOM 0 HB3 SER A 136 -9.625 -16.756 9.296 1.00 0.00 H new ATOM 0 HG SER A 136 -10.986 -18.631 9.466 1.00 0.00 H new TER 2172 SER A 136