USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 882 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0789 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 23:sc= 0.775 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -1.77! C(o=-1.8!,f=-7.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.01 K(o=-1,f=-1.7) USER MOD Single : A 22 THR OG1 : rot 93:sc= -0.666! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0613 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0201 USER MOD Single : A 34 SER OG : rot 93:sc= 0.205 USER MOD Single : A 36 HIS : no HD1:sc= -0.573 X(o=-0.57,f=-0.7) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -0.995 (180deg=-1.34) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HD1:sc= -4.22! C(o=-6.4!,f=-4.2!) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.659 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.76! C(o=-3.8!,f=-11!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.171 K(o=-0.17,f=-0.75) USER MOD Single : A 71 THR OG1 : rot -37:sc= -0.0515! USER MOD Single : A 76 LYS NZ :NH3+ -165:sc=0.000203 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -157:sc= -4.02! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.664 -58.811 13.727 1.00 0.00 N ATOM 2 CA MET A 1 -0.876 -57.582 14.025 1.00 0.00 C ATOM 3 C MET A 1 0.510 -57.978 14.538 1.00 0.00 C ATOM 4 O MET A 1 0.832 -59.144 14.646 1.00 0.00 O ATOM 5 CB MET A 1 -1.600 -56.759 15.093 1.00 0.00 C ATOM 6 CG MET A 1 -2.471 -55.698 14.418 1.00 0.00 C ATOM 7 SD MET A 1 -4.113 -55.692 15.181 1.00 0.00 S ATOM 8 CE MET A 1 -5.072 -55.541 13.654 1.00 0.00 C ATOM 0 H1 MET A 1 -1.830 -58.877 12.702 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.136 -59.648 14.047 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.577 -58.767 14.223 1.00 0.00 H new ATOM 0 HA MET A 1 -0.771 -56.987 13.117 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.217 -57.410 15.713 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.875 -56.283 15.754 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.009 -54.716 14.517 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.555 -55.905 13.351 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.135 -55.518 13.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.796 -54.620 13.140 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.864 -56.394 13.008 1.00 0.00 H new ATOM 20 N THR A 2 1.333 -57.016 14.857 1.00 0.00 N ATOM 21 CA THR A 2 2.695 -57.342 15.363 1.00 0.00 C ATOM 22 C THR A 2 3.307 -58.449 14.502 1.00 0.00 C ATOM 23 O THR A 2 3.509 -59.559 14.953 1.00 0.00 O ATOM 24 CB THR A 2 2.596 -57.818 16.814 1.00 0.00 C ATOM 25 OG1 THR A 2 1.239 -57.773 17.234 1.00 0.00 O ATOM 26 CG2 THR A 2 3.439 -56.909 17.711 1.00 0.00 C ATOM 0 H THR A 2 1.121 -56.021 14.789 1.00 0.00 H new ATOM 0 HA THR A 2 3.326 -56.454 15.313 1.00 0.00 H new ATOM 0 HB THR A 2 2.966 -58.841 16.887 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.174 -58.079 18.163 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.367 -57.249 18.744 1.00 0.00 H new ATOM 0 HG22 THR A 2 4.480 -56.944 17.389 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.071 -55.885 17.640 1.00 0.00 H new ATOM 34 N VAL A 3 3.604 -58.156 13.265 1.00 0.00 N ATOM 35 CA VAL A 3 4.203 -59.192 12.377 1.00 0.00 C ATOM 36 C VAL A 3 5.707 -59.284 12.643 1.00 0.00 C ATOM 37 O VAL A 3 6.276 -58.463 13.333 1.00 0.00 O ATOM 38 CB VAL A 3 3.965 -58.810 10.915 1.00 0.00 C ATOM 39 CG1 VAL A 3 2.467 -58.621 10.673 1.00 0.00 C ATOM 40 CG2 VAL A 3 4.700 -57.504 10.605 1.00 0.00 C ATOM 0 H VAL A 3 3.458 -57.244 12.831 1.00 0.00 H new ATOM 0 HA VAL A 3 3.739 -60.157 12.580 1.00 0.00 H new ATOM 0 HB VAL A 3 4.340 -59.602 10.267 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.298 -58.349 9.631 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.942 -59.550 10.895 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.091 -57.829 11.320 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.532 -57.230 9.563 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.325 -56.712 11.254 1.00 0.00 H new ATOM 0 HG23 VAL A 3 5.768 -57.638 10.777 1.00 0.00 H new ATOM 50 N ILE A 4 6.355 -60.277 12.099 1.00 0.00 N ATOM 51 CA ILE A 4 7.821 -60.421 12.319 1.00 0.00 C ATOM 52 C ILE A 4 8.563 -60.151 11.008 1.00 0.00 C ATOM 53 O ILE A 4 9.166 -61.035 10.433 1.00 0.00 O ATOM 54 CB ILE A 4 8.129 -61.841 12.795 1.00 0.00 C ATOM 55 CG1 ILE A 4 7.596 -62.030 14.216 1.00 0.00 C ATOM 56 CG2 ILE A 4 9.642 -62.064 12.785 1.00 0.00 C ATOM 57 CD1 ILE A 4 8.399 -61.156 15.183 1.00 0.00 C ATOM 0 H ILE A 4 5.932 -60.995 11.511 1.00 0.00 H new ATOM 0 HA ILE A 4 8.146 -59.706 13.075 1.00 0.00 H new ATOM 0 HB ILE A 4 7.650 -62.559 12.129 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.540 -61.762 14.258 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.671 -63.078 14.508 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.863 -63.076 13.124 1.00 0.00 H new ATOM 0 HG22 ILE A 4 10.023 -61.929 11.773 1.00 0.00 H new ATOM 0 HG23 ILE A 4 10.120 -61.346 13.451 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.019 -61.290 16.196 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.449 -61.445 15.148 1.00 0.00 H new ATOM 0 HD13 ILE A 4 8.301 -60.109 14.895 1.00 0.00 H new ATOM 69 N LYS A 5 8.523 -58.937 10.531 1.00 0.00 N ATOM 70 CA LYS A 5 9.228 -58.616 9.259 1.00 0.00 C ATOM 71 C LYS A 5 10.273 -57.528 9.516 1.00 0.00 C ATOM 72 O LYS A 5 10.042 -56.368 9.234 1.00 0.00 O ATOM 73 CB LYS A 5 8.216 -58.118 8.226 1.00 0.00 C ATOM 74 CG LYS A 5 8.396 -58.896 6.920 1.00 0.00 C ATOM 75 CD LYS A 5 7.894 -60.328 7.107 1.00 0.00 C ATOM 76 CE LYS A 5 9.030 -61.310 6.812 1.00 0.00 C ATOM 77 NZ LYS A 5 8.858 -61.870 5.441 1.00 0.00 N ATOM 0 H LYS A 5 8.033 -58.155 10.966 1.00 0.00 H new ATOM 0 HA LYS A 5 9.721 -59.512 8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.201 -58.248 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.356 -57.052 8.049 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.846 -58.409 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.447 -58.902 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.533 -60.468 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.052 -60.519 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.992 -60.804 6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.030 -62.114 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.630 -62.538 5.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.946 -62.366 5.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.878 -61.097 4.745 1.00 0.00 H new ATOM 91 N PRO A 6 11.397 -57.938 10.046 1.00 0.00 N ATOM 92 CA PRO A 6 12.508 -57.024 10.358 1.00 0.00 C ATOM 93 C PRO A 6 13.281 -56.667 9.086 1.00 0.00 C ATOM 94 O PRO A 6 12.796 -56.837 7.985 1.00 0.00 O ATOM 95 CB PRO A 6 13.382 -57.835 11.320 1.00 0.00 C ATOM 96 CG PRO A 6 13.046 -59.324 11.063 1.00 0.00 C ATOM 97 CD PRO A 6 11.664 -59.352 10.382 1.00 0.00 C ATOM 0 HA PRO A 6 12.177 -56.078 10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.440 -57.639 11.143 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.176 -57.563 12.355 1.00 0.00 H new ATOM 0 HG2 PRO A 6 13.801 -59.787 10.427 1.00 0.00 H new ATOM 0 HG3 PRO A 6 13.029 -59.884 11.998 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.672 -59.979 9.490 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.900 -59.754 11.047 1.00 0.00 H new ATOM 105 N SER A 7 14.481 -56.174 9.229 1.00 0.00 N ATOM 106 CA SER A 7 15.284 -55.807 8.028 1.00 0.00 C ATOM 107 C SER A 7 16.772 -55.855 8.379 1.00 0.00 C ATOM 108 O SER A 7 17.333 -54.901 8.879 1.00 0.00 O ATOM 109 CB SER A 7 14.910 -54.394 7.579 1.00 0.00 C ATOM 110 OG SER A 7 13.681 -54.437 6.866 1.00 0.00 O ATOM 0 H SER A 7 14.940 -56.010 10.125 1.00 0.00 H new ATOM 0 HA SER A 7 15.078 -56.510 7.221 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.819 -53.737 8.444 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.696 -53.981 6.947 1.00 0.00 H new ATOM 0 HG SER A 7 13.184 -55.243 7.119 1.00 0.00 H new ATOM 116 N SER A 8 17.414 -56.962 8.125 1.00 0.00 N ATOM 117 CA SER A 8 18.865 -57.072 8.448 1.00 0.00 C ATOM 118 C SER A 8 19.695 -56.578 7.262 1.00 0.00 C ATOM 119 O SER A 8 20.685 -57.177 6.893 1.00 0.00 O ATOM 120 CB SER A 8 19.211 -58.532 8.740 1.00 0.00 C ATOM 121 OG SER A 8 20.225 -58.582 9.736 1.00 0.00 O ATOM 0 H SER A 8 16.997 -57.794 7.708 1.00 0.00 H new ATOM 0 HA SER A 8 19.088 -56.462 9.323 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.324 -59.067 9.079 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.553 -59.026 7.831 1.00 0.00 H new ATOM 0 HG SER A 8 20.449 -59.516 9.928 1.00 0.00 H new ATOM 127 N ARG A 9 19.301 -55.489 6.661 1.00 0.00 N ATOM 128 CA ARG A 9 20.072 -54.959 5.501 1.00 0.00 C ATOM 129 C ARG A 9 19.563 -53.560 5.143 1.00 0.00 C ATOM 130 O ARG A 9 18.426 -53.226 5.416 1.00 0.00 O ATOM 131 CB ARG A 9 19.888 -55.890 4.301 1.00 0.00 C ATOM 132 CG ARG A 9 18.396 -56.123 4.058 1.00 0.00 C ATOM 133 CD ARG A 9 18.049 -57.577 4.383 1.00 0.00 C ATOM 134 NE ARG A 9 17.197 -58.138 3.296 1.00 0.00 N ATOM 135 CZ ARG A 9 16.062 -58.712 3.588 1.00 0.00 C ATOM 136 NH1 ARG A 9 15.922 -59.336 4.726 1.00 0.00 N ATOM 137 NH2 ARG A 9 15.071 -58.664 2.742 1.00 0.00 N ATOM 0 H ARG A 9 18.480 -54.944 6.923 1.00 0.00 H new ATOM 0 HA ARG A 9 21.129 -54.904 5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 9 20.347 -55.453 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 9 20.390 -56.840 4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 9 17.806 -55.449 4.679 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.146 -55.901 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 9 18.961 -58.166 4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.524 -57.633 5.337 1.00 0.00 H new ATOM 0 HE ARG A 9 17.501 -58.073 2.325 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.699 -59.374 5.386 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.035 -59.785 4.956 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.183 -58.178 1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.184 -59.113 2.970 1.00 0.00 H new ATOM 151 N PRO A 10 20.425 -52.783 4.538 1.00 0.00 N ATOM 152 CA PRO A 10 20.101 -51.408 4.122 1.00 0.00 C ATOM 153 C PRO A 10 19.266 -51.424 2.838 1.00 0.00 C ATOM 154 O PRO A 10 19.786 -51.287 1.748 1.00 0.00 O ATOM 155 CB PRO A 10 21.472 -50.774 3.878 1.00 0.00 C ATOM 156 CG PRO A 10 22.453 -51.943 3.616 1.00 0.00 C ATOM 157 CD PRO A 10 21.803 -53.204 4.215 1.00 0.00 C ATOM 0 HA PRO A 10 19.513 -50.862 4.859 1.00 0.00 H new ATOM 0 HB2 PRO A 10 21.440 -50.095 3.026 1.00 0.00 H new ATOM 0 HB3 PRO A 10 21.788 -50.188 4.741 1.00 0.00 H new ATOM 0 HG2 PRO A 10 22.630 -52.068 2.548 1.00 0.00 H new ATOM 0 HG3 PRO A 10 23.420 -51.748 4.079 1.00 0.00 H new ATOM 0 HD2 PRO A 10 21.811 -54.031 3.505 1.00 0.00 H new ATOM 0 HD3 PRO A 10 22.335 -53.542 5.104 1.00 0.00 H new ATOM 165 N ARG A 11 17.979 -51.591 2.958 1.00 0.00 N ATOM 166 CA ARG A 11 17.116 -51.618 1.744 1.00 0.00 C ATOM 167 C ARG A 11 15.822 -50.846 2.019 1.00 0.00 C ATOM 168 O ARG A 11 14.804 -51.435 2.325 1.00 0.00 O ATOM 169 CB ARG A 11 16.778 -53.068 1.392 1.00 0.00 C ATOM 170 CG ARG A 11 16.796 -53.243 -0.128 1.00 0.00 C ATOM 171 CD ARG A 11 15.360 -53.348 -0.647 1.00 0.00 C ATOM 172 NE ARG A 11 15.060 -54.765 -0.993 1.00 0.00 N ATOM 173 CZ ARG A 11 14.732 -55.083 -2.216 1.00 0.00 C ATOM 174 NH1 ARG A 11 15.661 -55.289 -3.108 1.00 0.00 N ATOM 175 NH2 ARG A 11 13.475 -55.195 -2.545 1.00 0.00 N ATOM 0 H ARG A 11 17.487 -51.710 3.844 1.00 0.00 H new ATOM 0 HA ARG A 11 17.646 -51.155 0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.498 -53.743 1.855 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.796 -53.330 1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.302 -52.399 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 11 17.357 -54.139 -0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.661 -52.991 0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.231 -52.713 -1.524 1.00 0.00 H new ATOM 0 HE ARG A 11 15.111 -55.487 -0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.644 -55.202 -2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.405 -55.537 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.749 -55.034 -1.847 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.218 -55.443 -3.500 1.00 0.00 H new ATOM 189 N PRO A 12 15.904 -49.545 1.899 1.00 0.00 N ATOM 190 CA PRO A 12 14.755 -48.652 2.127 1.00 0.00 C ATOM 191 C PRO A 12 13.815 -48.670 0.918 1.00 0.00 C ATOM 192 O PRO A 12 14.246 -48.622 -0.218 1.00 0.00 O ATOM 193 CB PRO A 12 15.400 -47.273 2.298 1.00 0.00 C ATOM 194 CG PRO A 12 16.784 -47.350 1.609 1.00 0.00 C ATOM 195 CD PRO A 12 17.151 -48.845 1.526 1.00 0.00 C ATOM 0 HA PRO A 12 14.149 -48.943 2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 12 14.783 -46.497 1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 12 15.505 -47.021 3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 12 16.748 -46.904 0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.532 -46.798 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 12 17.477 -49.120 0.523 1.00 0.00 H new ATOM 0 HD3 PRO A 12 17.966 -49.093 2.206 1.00 0.00 H new ATOM 203 N ARG A 13 12.534 -48.743 1.153 1.00 0.00 N ATOM 204 CA ARG A 13 11.566 -48.766 0.019 1.00 0.00 C ATOM 205 C ARG A 13 10.646 -47.546 0.108 1.00 0.00 C ATOM 206 O ARG A 13 9.523 -47.635 0.559 1.00 0.00 O ATOM 207 CB ARG A 13 10.726 -50.046 0.087 1.00 0.00 C ATOM 208 CG ARG A 13 10.578 -50.492 1.543 1.00 0.00 C ATOM 209 CD ARG A 13 9.399 -51.458 1.665 1.00 0.00 C ATOM 210 NE ARG A 13 8.642 -51.163 2.914 1.00 0.00 N ATOM 211 CZ ARG A 13 7.657 -50.308 2.892 1.00 0.00 C ATOM 212 NH1 ARG A 13 6.809 -50.314 1.899 1.00 0.00 N ATOM 213 NH2 ARG A 13 7.517 -49.448 3.864 1.00 0.00 N ATOM 0 H ARG A 13 12.115 -48.788 2.082 1.00 0.00 H new ATOM 0 HA ARG A 13 12.112 -48.741 -0.924 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.743 -49.871 -0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 13 11.200 -50.834 -0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.494 -50.976 1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.420 -49.626 2.185 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.744 -51.361 0.799 1.00 0.00 H new ATOM 0 HD3 ARG A 13 9.758 -52.487 1.679 1.00 0.00 H new ATOM 0 HE ARG A 13 8.894 -51.629 3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.917 -50.987 1.140 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.039 -49.645 1.882 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.178 -49.444 4.641 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.747 -48.780 3.847 1.00 0.00 H new ATOM 227 N LYS A 14 11.116 -46.405 -0.322 1.00 0.00 N ATOM 228 CA LYS A 14 10.268 -45.181 -0.264 1.00 0.00 C ATOM 229 C LYS A 14 11.087 -43.970 -0.718 1.00 0.00 C ATOM 230 O LYS A 14 11.218 -42.995 -0.006 1.00 0.00 O ATOM 231 CB LYS A 14 9.786 -44.960 1.172 1.00 0.00 C ATOM 232 CG LYS A 14 8.269 -44.763 1.179 1.00 0.00 C ATOM 233 CD LYS A 14 7.949 -43.268 1.236 1.00 0.00 C ATOM 234 CE LYS A 14 6.450 -43.073 1.469 1.00 0.00 C ATOM 235 NZ LYS A 14 5.822 -42.532 0.231 1.00 0.00 N ATOM 0 H LYS A 14 12.049 -46.269 -0.710 1.00 0.00 H new ATOM 0 HA LYS A 14 9.407 -45.305 -0.921 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.055 -45.815 1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.278 -44.087 1.601 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.830 -45.206 0.285 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.829 -45.273 2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.516 -42.795 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.248 -42.786 0.305 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.987 -44.022 1.740 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.286 -42.389 2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.803 -42.399 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.257 -41.618 -0.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.967 -43.200 -0.552 1.00 0.00 H new ATOM 249 N ASN A 15 11.638 -44.024 -1.900 1.00 0.00 N ATOM 250 CA ASN A 15 12.446 -42.876 -2.400 1.00 0.00 C ATOM 251 C ASN A 15 11.524 -41.859 -3.075 1.00 0.00 C ATOM 252 O ASN A 15 11.967 -40.985 -3.792 1.00 0.00 O ATOM 253 CB ASN A 15 13.474 -43.381 -3.415 1.00 0.00 C ATOM 254 CG ASN A 15 14.794 -43.681 -2.703 1.00 0.00 C ATOM 255 OD1 ASN A 15 14.879 -44.609 -1.922 1.00 0.00 O ATOM 256 ND2 ASN A 15 15.836 -42.932 -2.941 1.00 0.00 N ATOM 0 H ASN A 15 11.563 -44.814 -2.541 1.00 0.00 H new ATOM 0 HA ASN A 15 12.961 -42.402 -1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.102 -44.280 -3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.630 -42.633 -4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.721 -43.125 -2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.765 -42.153 -3.596 1.00 0.00 H new ATOM 263 N LYS A 16 10.242 -41.967 -2.851 1.00 0.00 N ATOM 264 CA LYS A 16 9.289 -41.009 -3.481 1.00 0.00 C ATOM 265 C LYS A 16 9.371 -41.132 -5.003 1.00 0.00 C ATOM 266 O LYS A 16 9.313 -40.151 -5.717 1.00 0.00 O ATOM 267 CB LYS A 16 9.646 -39.580 -3.064 1.00 0.00 C ATOM 268 CG LYS A 16 9.251 -39.361 -1.602 1.00 0.00 C ATOM 269 CD LYS A 16 10.284 -38.456 -0.926 1.00 0.00 C ATOM 270 CE LYS A 16 9.744 -37.026 -0.860 1.00 0.00 C ATOM 271 NZ LYS A 16 10.796 -36.076 -1.320 1.00 0.00 N ATOM 0 H LYS A 16 9.813 -42.678 -2.258 1.00 0.00 H new ATOM 0 HA LYS A 16 8.276 -41.239 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.715 -39.409 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.129 -38.864 -3.703 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.261 -38.907 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.194 -40.317 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.501 -38.821 0.078 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.221 -38.477 -1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.856 -36.932 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.443 -36.786 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.429 -35.104 -1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.632 -36.160 -0.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.062 -36.301 -2.300 1.00 0.00 H new ATOM 285 N ASN A 17 9.506 -42.329 -5.506 1.00 0.00 N ATOM 286 CA ASN A 17 9.589 -42.510 -6.982 1.00 0.00 C ATOM 287 C ASN A 17 8.181 -42.470 -7.580 1.00 0.00 C ATOM 288 O ASN A 17 7.626 -43.486 -7.952 1.00 0.00 O ATOM 289 CB ASN A 17 10.238 -43.859 -7.300 1.00 0.00 C ATOM 290 CG ASN A 17 10.277 -44.062 -8.815 1.00 0.00 C ATOM 291 OD1 ASN A 17 9.619 -43.353 -9.551 1.00 0.00 O ATOM 292 ND2 ASN A 17 11.027 -45.005 -9.317 1.00 0.00 N ATOM 0 H ASN A 17 9.562 -43.188 -4.959 1.00 0.00 H new ATOM 0 HA ASN A 17 10.191 -41.709 -7.410 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.248 -43.894 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.676 -44.665 -6.829 1.00 0.00 H new ATOM 0 HD21 ASN A 17 11.061 -45.147 -10.327 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.579 -45.600 -8.700 1.00 0.00 H new ATOM 299 N ILE A 18 7.599 -41.307 -7.675 1.00 0.00 N ATOM 300 CA ILE A 18 6.227 -41.203 -8.249 1.00 0.00 C ATOM 301 C ILE A 18 6.172 -40.018 -9.216 1.00 0.00 C ATOM 302 O ILE A 18 5.788 -38.925 -8.851 1.00 0.00 O ATOM 303 CB ILE A 18 5.215 -40.989 -7.121 1.00 0.00 C ATOM 304 CG1 ILE A 18 5.541 -41.926 -5.954 1.00 0.00 C ATOM 305 CG2 ILE A 18 3.806 -41.292 -7.634 1.00 0.00 C ATOM 306 CD1 ILE A 18 4.941 -41.364 -4.664 1.00 0.00 C ATOM 0 H ILE A 18 8.014 -40.423 -7.380 1.00 0.00 H new ATOM 0 HA ILE A 18 5.984 -42.122 -8.783 1.00 0.00 H new ATOM 0 HB ILE A 18 5.266 -39.954 -6.783 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.141 -42.921 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.621 -42.031 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.086 -41.140 -6.830 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.570 -40.626 -8.464 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.757 -42.327 -7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.173 -42.031 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 18 5.362 -40.378 -4.466 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.859 -41.282 -4.772 1.00 0.00 H new ATOM 318 N LYS A 19 6.558 -40.224 -10.445 1.00 0.00 N ATOM 319 CA LYS A 19 6.533 -39.107 -11.431 1.00 0.00 C ATOM 320 C LYS A 19 5.096 -38.866 -11.903 1.00 0.00 C ATOM 321 O LYS A 19 4.784 -37.837 -12.467 1.00 0.00 O ATOM 322 CB LYS A 19 7.409 -39.466 -12.633 1.00 0.00 C ATOM 323 CG LYS A 19 8.179 -38.225 -13.091 1.00 0.00 C ATOM 324 CD LYS A 19 9.424 -38.046 -12.219 1.00 0.00 C ATOM 325 CE LYS A 19 10.415 -39.174 -12.508 1.00 0.00 C ATOM 326 NZ LYS A 19 11.785 -38.747 -12.106 1.00 0.00 N ATOM 0 H LYS A 19 6.890 -41.117 -10.809 1.00 0.00 H new ATOM 0 HA LYS A 19 6.915 -38.202 -10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.105 -40.261 -12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.791 -39.845 -13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.467 -38.328 -14.137 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.543 -37.343 -13.021 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.887 -37.080 -12.421 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.147 -38.052 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.128 -40.073 -11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.397 -39.425 -13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.459 -39.514 -12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.057 -37.900 -12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.796 -38.528 -11.089 1.00 0.00 H new ATOM 340 N VAL A 20 4.219 -39.807 -11.678 1.00 0.00 N ATOM 341 CA VAL A 20 2.806 -39.623 -12.118 1.00 0.00 C ATOM 342 C VAL A 20 1.911 -39.414 -10.897 1.00 0.00 C ATOM 343 O VAL A 20 0.956 -40.135 -10.684 1.00 0.00 O ATOM 344 CB VAL A 20 2.342 -40.865 -12.883 1.00 0.00 C ATOM 345 CG1 VAL A 20 1.000 -40.575 -13.556 1.00 0.00 C ATOM 346 CG2 VAL A 20 3.379 -41.224 -13.948 1.00 0.00 C ATOM 0 H VAL A 20 4.418 -40.691 -11.211 1.00 0.00 H new ATOM 0 HA VAL A 20 2.742 -38.750 -12.768 1.00 0.00 H new ATOM 0 HB VAL A 20 2.229 -41.699 -12.190 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.668 -41.458 -14.101 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.261 -40.318 -12.798 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.113 -39.742 -14.250 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.049 -42.108 -14.493 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.491 -40.391 -14.642 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.336 -41.429 -13.469 1.00 0.00 H new ATOM 356 N ASN A 21 2.208 -38.429 -10.093 1.00 0.00 N ATOM 357 CA ASN A 21 1.369 -38.174 -8.888 1.00 0.00 C ATOM 358 C ASN A 21 0.871 -36.728 -8.914 1.00 0.00 C ATOM 359 O ASN A 21 0.958 -36.050 -9.917 1.00 0.00 O ATOM 360 CB ASN A 21 2.205 -38.403 -7.627 1.00 0.00 C ATOM 361 CG ASN A 21 1.387 -39.205 -6.612 1.00 0.00 C ATOM 362 OD1 ASN A 21 0.887 -40.268 -6.920 1.00 0.00 O ATOM 363 ND2 ASN A 21 1.229 -38.736 -5.404 1.00 0.00 N ATOM 0 H ASN A 21 2.994 -37.791 -10.218 1.00 0.00 H new ATOM 0 HA ASN A 21 0.517 -38.853 -8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.121 -38.939 -7.877 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.503 -37.447 -7.196 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.686 -39.262 -4.720 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.649 -37.843 -5.145 1.00 0.00 H new ATOM 370 N THR A 22 0.348 -36.251 -7.818 1.00 0.00 N ATOM 371 CA THR A 22 -0.153 -34.849 -7.783 1.00 0.00 C ATOM 372 C THR A 22 -1.452 -34.752 -8.586 1.00 0.00 C ATOM 373 O THR A 22 -1.634 -35.432 -9.577 1.00 0.00 O ATOM 374 CB THR A 22 0.894 -33.918 -8.397 1.00 0.00 C ATOM 375 OG1 THR A 22 2.166 -34.551 -8.362 1.00 0.00 O ATOM 376 CG2 THR A 22 0.948 -32.614 -7.602 1.00 0.00 C ATOM 0 H THR A 22 0.246 -36.771 -6.946 1.00 0.00 H new ATOM 0 HA THR A 22 -0.340 -34.556 -6.750 1.00 0.00 H new ATOM 0 HB THR A 22 0.625 -33.699 -9.430 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.319 -35.025 -9.206 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.694 -31.951 -8.040 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.028 -32.130 -7.630 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.217 -32.829 -6.568 1.00 0.00 H new ATOM 384 N TYR A 23 -2.357 -33.910 -8.169 1.00 0.00 N ATOM 385 CA TYR A 23 -3.642 -33.769 -8.909 1.00 0.00 C ATOM 386 C TYR A 23 -3.587 -32.516 -9.785 1.00 0.00 C ATOM 387 O TYR A 23 -3.587 -32.594 -10.998 1.00 0.00 O ATOM 388 CB TYR A 23 -4.796 -33.645 -7.911 1.00 0.00 C ATOM 389 CG TYR A 23 -5.977 -34.447 -8.402 1.00 0.00 C ATOM 390 CD1 TYR A 23 -6.280 -34.483 -9.769 1.00 0.00 C ATOM 391 CD2 TYR A 23 -6.771 -35.155 -7.490 1.00 0.00 C ATOM 392 CE1 TYR A 23 -7.376 -35.227 -10.225 1.00 0.00 C ATOM 393 CE2 TYR A 23 -7.867 -35.899 -7.945 1.00 0.00 C ATOM 394 CZ TYR A 23 -8.170 -35.936 -9.313 1.00 0.00 C ATOM 395 OH TYR A 23 -9.249 -36.668 -9.761 1.00 0.00 O ATOM 0 H TYR A 23 -2.262 -33.313 -7.347 1.00 0.00 H new ATOM 0 HA TYR A 23 -3.800 -34.646 -9.537 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.482 -34.003 -6.930 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.078 -32.599 -7.793 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -5.668 -33.937 -10.472 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.538 -35.127 -6.436 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.609 -35.254 -11.279 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.479 -36.444 -7.242 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.691 -37.099 -9.000 1.00 0.00 H new ATOM 405 N ARG A 24 -3.536 -31.361 -9.180 1.00 0.00 N ATOM 406 CA ARG A 24 -3.476 -30.104 -9.977 1.00 0.00 C ATOM 407 C ARG A 24 -2.013 -29.697 -10.170 1.00 0.00 C ATOM 408 O ARG A 24 -1.187 -29.889 -9.299 1.00 0.00 O ATOM 409 CB ARG A 24 -4.226 -28.994 -9.238 1.00 0.00 C ATOM 410 CG ARG A 24 -5.718 -29.333 -9.190 1.00 0.00 C ATOM 411 CD ARG A 24 -6.234 -29.173 -7.758 1.00 0.00 C ATOM 412 NE ARG A 24 -7.723 -29.199 -7.761 1.00 0.00 N ATOM 413 CZ ARG A 24 -8.393 -28.195 -8.256 1.00 0.00 C ATOM 414 NH1 ARG A 24 -8.341 -27.026 -7.676 1.00 0.00 N ATOM 415 NH2 ARG A 24 -9.114 -28.358 -9.332 1.00 0.00 N ATOM 0 H ARG A 24 -3.533 -31.234 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.940 -30.265 -10.950 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.834 -28.886 -8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.075 -28.040 -9.742 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.272 -28.678 -9.862 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.881 -30.354 -9.534 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.847 -29.975 -7.129 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.877 -28.234 -7.334 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.219 -30.002 -7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.777 -26.898 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.865 -26.241 -8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.154 -29.271 -9.786 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.638 -27.573 -9.719 1.00 0.00 H new ATOM 429 N THR A 25 -1.684 -29.141 -11.304 1.00 0.00 N ATOM 430 CA THR A 25 -0.273 -28.729 -11.549 1.00 0.00 C ATOM 431 C THR A 25 0.027 -27.433 -10.792 1.00 0.00 C ATOM 432 O THR A 25 -0.816 -26.567 -10.664 1.00 0.00 O ATOM 433 CB THR A 25 -0.058 -28.503 -13.047 1.00 0.00 C ATOM 434 OG1 THR A 25 1.260 -28.018 -13.267 1.00 0.00 O ATOM 435 CG2 THR A 25 -1.072 -27.481 -13.563 1.00 0.00 C ATOM 0 H THR A 25 -2.331 -28.954 -12.071 1.00 0.00 H new ATOM 0 HA THR A 25 0.395 -29.515 -11.199 1.00 0.00 H new ATOM 0 HB THR A 25 -0.193 -29.445 -13.579 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.400 -27.874 -14.226 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.917 -27.322 -14.630 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.082 -27.854 -13.395 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.940 -26.538 -13.032 1.00 0.00 H new ATOM 443 N SER A 26 1.224 -27.294 -10.293 1.00 0.00 N ATOM 444 CA SER A 26 1.584 -26.055 -9.548 1.00 0.00 C ATOM 445 C SER A 26 2.398 -25.134 -10.459 1.00 0.00 C ATOM 446 O SER A 26 3.135 -25.584 -11.314 1.00 0.00 O ATOM 447 CB SER A 26 2.418 -26.425 -8.321 1.00 0.00 C ATOM 448 OG SER A 26 2.935 -27.738 -8.483 1.00 0.00 O ATOM 0 H SER A 26 1.969 -27.986 -10.369 1.00 0.00 H new ATOM 0 HA SER A 26 0.676 -25.543 -9.230 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.234 -25.714 -8.194 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.805 -26.372 -7.421 1.00 0.00 H new ATOM 0 HG SER A 26 3.472 -27.977 -7.699 1.00 0.00 H new ATOM 454 N ALA A 27 2.271 -23.846 -10.288 1.00 0.00 N ATOM 455 CA ALA A 27 3.038 -22.902 -11.150 1.00 0.00 C ATOM 456 C ALA A 27 3.420 -21.660 -10.341 1.00 0.00 C ATOM 457 O ALA A 27 3.323 -20.545 -10.814 1.00 0.00 O ATOM 458 CB ALA A 27 2.178 -22.487 -12.345 1.00 0.00 C ATOM 0 H ALA A 27 1.670 -23.407 -9.590 1.00 0.00 H new ATOM 0 HA ALA A 27 3.943 -23.394 -11.506 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.739 -21.797 -12.975 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.909 -23.370 -12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.272 -21.998 -11.988 1.00 0.00 H new ATOM 464 N MET A 28 3.859 -21.844 -9.125 1.00 0.00 N ATOM 465 CA MET A 28 4.250 -20.673 -8.290 1.00 0.00 C ATOM 466 C MET A 28 3.034 -19.768 -8.074 1.00 0.00 C ATOM 467 O MET A 28 1.912 -20.141 -8.353 1.00 0.00 O ATOM 468 CB MET A 28 5.352 -19.884 -9.002 1.00 0.00 C ATOM 469 CG MET A 28 6.714 -20.283 -8.434 1.00 0.00 C ATOM 470 SD MET A 28 7.624 -18.795 -7.949 1.00 0.00 S ATOM 471 CE MET A 28 7.908 -19.255 -6.222 1.00 0.00 C ATOM 0 H MET A 28 3.964 -22.753 -8.675 1.00 0.00 H new ATOM 0 HA MET A 28 4.617 -21.023 -7.325 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.321 -20.082 -10.073 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.191 -18.814 -8.871 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.583 -20.939 -7.573 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.281 -20.843 -9.178 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.465 -18.463 -5.721 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.950 -19.397 -5.721 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.480 -20.182 -6.182 1.00 0.00 H new ATOM 481 N ASP A 29 3.250 -18.580 -7.576 1.00 0.00 N ATOM 482 CA ASP A 29 2.108 -17.651 -7.340 1.00 0.00 C ATOM 483 C ASP A 29 1.916 -16.760 -8.568 1.00 0.00 C ATOM 484 O ASP A 29 1.816 -15.554 -8.461 1.00 0.00 O ATOM 485 CB ASP A 29 2.403 -16.777 -6.119 1.00 0.00 C ATOM 486 CG ASP A 29 1.870 -17.462 -4.860 1.00 0.00 C ATOM 487 OD1 ASP A 29 1.354 -18.561 -4.980 1.00 0.00 O ATOM 488 OD2 ASP A 29 1.986 -16.875 -3.797 1.00 0.00 O ATOM 0 H ASP A 29 4.167 -18.213 -7.323 1.00 0.00 H new ATOM 0 HA ASP A 29 1.201 -18.229 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.476 -16.611 -6.028 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.938 -15.799 -6.238 1.00 0.00 H new ATOM 493 N LEU A 30 1.865 -17.343 -9.734 1.00 0.00 N ATOM 494 CA LEU A 30 1.679 -16.527 -10.966 1.00 0.00 C ATOM 495 C LEU A 30 2.903 -15.634 -11.174 1.00 0.00 C ATOM 496 O LEU A 30 3.337 -14.939 -10.276 1.00 0.00 O ATOM 497 CB LEU A 30 0.432 -15.655 -10.819 1.00 0.00 C ATOM 498 CG LEU A 30 -0.600 -16.065 -11.868 1.00 0.00 C ATOM 499 CD1 LEU A 30 0.015 -15.942 -13.263 1.00 0.00 C ATOM 500 CD2 LEU A 30 -1.023 -17.516 -11.625 1.00 0.00 C ATOM 0 H LEU A 30 1.944 -18.348 -9.886 1.00 0.00 H new ATOM 0 HA LEU A 30 1.560 -17.188 -11.824 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.014 -15.765 -9.819 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.693 -14.604 -10.941 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.471 -15.414 -11.796 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.721 -16.234 -14.012 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.319 -14.910 -13.437 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.885 -16.594 -13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.760 -17.810 -12.373 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.151 -18.166 -11.699 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.460 -17.606 -10.630 1.00 0.00 H new ATOM 512 N SER A 31 3.463 -15.644 -12.353 1.00 0.00 N ATOM 513 CA SER A 31 4.657 -14.795 -12.617 1.00 0.00 C ATOM 514 C SER A 31 4.207 -13.355 -12.893 1.00 0.00 C ATOM 515 O SER A 31 3.178 -13.137 -13.499 1.00 0.00 O ATOM 516 CB SER A 31 5.404 -15.335 -13.835 1.00 0.00 C ATOM 517 OG SER A 31 4.479 -15.563 -14.890 1.00 0.00 O ATOM 0 H SER A 31 3.145 -16.204 -13.144 1.00 0.00 H new ATOM 0 HA SER A 31 5.315 -14.811 -11.748 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.167 -14.625 -14.152 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.918 -16.262 -13.580 1.00 0.00 H new ATOM 0 HG SER A 31 4.955 -15.908 -15.674 1.00 0.00 H new ATOM 523 N PRO A 32 4.996 -12.415 -12.436 1.00 0.00 N ATOM 524 CA PRO A 32 4.708 -10.980 -12.616 1.00 0.00 C ATOM 525 C PRO A 32 5.072 -10.536 -14.037 1.00 0.00 C ATOM 526 O PRO A 32 6.197 -10.680 -14.473 1.00 0.00 O ATOM 527 CB PRO A 32 5.612 -10.301 -11.584 1.00 0.00 C ATOM 528 CG PRO A 32 6.754 -11.300 -11.279 1.00 0.00 C ATOM 529 CD PRO A 32 6.245 -12.692 -11.698 1.00 0.00 C ATOM 0 HA PRO A 32 3.655 -10.733 -12.481 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.010 -9.364 -11.973 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.055 -10.060 -10.679 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.657 -11.036 -11.829 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.010 -11.284 -10.220 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.971 -13.209 -12.325 1.00 0.00 H new ATOM 0 HD3 PRO A 32 6.063 -13.327 -10.831 1.00 0.00 H new ATOM 537 N GLY A 33 4.129 -9.995 -14.759 1.00 0.00 N ATOM 538 CA GLY A 33 4.422 -9.542 -16.148 1.00 0.00 C ATOM 539 C GLY A 33 3.572 -10.339 -17.139 1.00 0.00 C ATOM 540 O GLY A 33 3.953 -10.545 -18.274 1.00 0.00 O ATOM 0 H GLY A 33 3.169 -9.847 -14.447 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.210 -8.477 -16.246 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.480 -9.678 -16.370 1.00 0.00 H new ATOM 544 N SER A 34 2.420 -10.788 -16.718 1.00 0.00 N ATOM 545 CA SER A 34 1.546 -11.571 -17.637 1.00 0.00 C ATOM 546 C SER A 34 0.358 -10.709 -18.067 1.00 0.00 C ATOM 547 O SER A 34 0.076 -9.685 -17.479 1.00 0.00 O ATOM 548 CB SER A 34 1.036 -12.818 -16.915 1.00 0.00 C ATOM 549 OG SER A 34 2.141 -13.541 -16.388 1.00 0.00 O ATOM 0 H SER A 34 2.047 -10.646 -15.779 1.00 0.00 H new ATOM 0 HA SER A 34 2.117 -11.868 -18.517 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.356 -12.535 -16.112 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.471 -13.446 -17.604 1.00 0.00 H new ATOM 0 HG SER A 34 2.303 -13.262 -15.463 1.00 0.00 H new ATOM 555 N VAL A 35 -0.343 -11.116 -19.089 1.00 0.00 N ATOM 556 CA VAL A 35 -1.513 -10.321 -19.557 1.00 0.00 C ATOM 557 C VAL A 35 -2.807 -11.059 -19.202 1.00 0.00 C ATOM 558 O VAL A 35 -2.891 -12.266 -19.307 1.00 0.00 O ATOM 559 CB VAL A 35 -1.428 -10.136 -21.073 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.385 -9.065 -21.399 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.015 -11.459 -21.723 1.00 0.00 C ATOM 0 H VAL A 35 -0.156 -11.966 -19.621 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.508 -9.345 -19.071 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.400 -9.826 -21.457 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.324 -8.933 -22.479 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.674 -8.122 -20.934 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.587 -9.375 -21.016 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.954 -11.330 -22.804 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.042 -11.765 -21.338 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.755 -12.225 -21.491 1.00 0.00 H new ATOM 571 N HIS A 36 -3.816 -10.345 -18.781 1.00 0.00 N ATOM 572 CA HIS A 36 -5.100 -11.011 -18.420 1.00 0.00 C ATOM 573 C HIS A 36 -6.251 -10.008 -18.537 1.00 0.00 C ATOM 574 O HIS A 36 -6.041 -8.818 -18.666 1.00 0.00 O ATOM 575 CB HIS A 36 -5.019 -11.529 -16.982 1.00 0.00 C ATOM 576 CG HIS A 36 -4.463 -12.927 -16.981 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.123 -13.985 -17.584 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.311 -13.454 -16.452 1.00 0.00 C ATOM 579 CE1 HIS A 36 -4.370 -15.086 -17.406 1.00 0.00 C ATOM 580 NE2 HIS A 36 -3.255 -14.819 -16.722 1.00 0.00 N ATOM 0 H HIS A 36 -3.807 -9.331 -18.672 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.278 -11.845 -19.099 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.385 -10.874 -16.384 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.008 -11.520 -16.525 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.563 -12.895 -15.909 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.635 -16.067 -17.772 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.520 -15.474 -16.455 1.00 0.00 H new ATOM 588 N GLU A 37 -7.467 -10.481 -18.491 1.00 0.00 N ATOM 589 CA GLU A 37 -8.634 -9.558 -18.598 1.00 0.00 C ATOM 590 C GLU A 37 -9.209 -9.304 -17.203 1.00 0.00 C ATOM 591 O GLU A 37 -9.240 -10.184 -16.367 1.00 0.00 O ATOM 592 CB GLU A 37 -9.707 -10.196 -19.484 1.00 0.00 C ATOM 593 CG GLU A 37 -9.966 -11.631 -19.017 1.00 0.00 C ATOM 594 CD GLU A 37 -11.242 -12.160 -19.674 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.220 -11.431 -19.693 1.00 0.00 O ATOM 596 OE2 GLU A 37 -11.219 -13.284 -20.148 1.00 0.00 O ATOM 0 H GLU A 37 -7.703 -11.467 -18.384 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.314 -8.613 -19.038 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.628 -9.614 -19.435 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.383 -10.194 -20.525 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.120 -12.267 -19.277 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.065 -11.659 -17.932 1.00 0.00 H new ATOM 603 N GLY A 38 -9.662 -8.106 -16.940 1.00 0.00 N ATOM 604 CA GLY A 38 -10.228 -7.809 -15.593 1.00 0.00 C ATOM 605 C GLY A 38 -11.238 -6.664 -15.691 1.00 0.00 C ATOM 606 O GLY A 38 -11.425 -6.072 -16.735 1.00 0.00 O ATOM 0 H GLY A 38 -9.664 -7.325 -17.596 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.712 -8.698 -15.189 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.427 -7.541 -14.904 1.00 0.00 H new ATOM 610 N ILE A 39 -11.888 -6.345 -14.602 1.00 0.00 N ATOM 611 CA ILE A 39 -12.885 -5.237 -14.620 1.00 0.00 C ATOM 612 C ILE A 39 -12.218 -3.966 -14.088 1.00 0.00 C ATOM 613 O ILE A 39 -11.271 -4.028 -13.329 1.00 0.00 O ATOM 614 CB ILE A 39 -14.072 -5.609 -13.725 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.760 -6.855 -14.287 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.073 -4.454 -13.686 1.00 0.00 C ATOM 617 CD1 ILE A 39 -14.258 -8.095 -13.543 1.00 0.00 C ATOM 0 H ILE A 39 -11.770 -6.806 -13.700 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.241 -5.069 -15.637 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.713 -5.810 -12.716 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.841 -6.766 -14.179 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.552 -6.949 -15.353 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -15.915 -4.724 -13.048 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.586 -3.564 -13.287 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.432 -4.250 -14.695 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.748 -8.983 -13.943 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -13.180 -8.186 -13.673 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -14.488 -8.001 -12.482 1.00 0.00 H new ATOM 629 N VAL A 40 -12.687 -2.815 -14.485 1.00 0.00 N ATOM 630 CA VAL A 40 -12.052 -1.556 -14.000 1.00 0.00 C ATOM 631 C VAL A 40 -12.927 -0.896 -12.932 1.00 0.00 C ATOM 632 O VAL A 40 -14.138 -0.957 -12.979 1.00 0.00 O ATOM 633 CB VAL A 40 -11.870 -0.592 -15.174 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.416 0.771 -14.650 1.00 0.00 C ATOM 635 CG2 VAL A 40 -10.811 -1.148 -16.128 1.00 0.00 C ATOM 0 H VAL A 40 -13.476 -2.691 -15.119 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.082 -1.796 -13.564 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.816 -0.481 -15.703 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.286 1.458 -15.487 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.168 1.168 -13.968 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.469 0.661 -14.121 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.680 -0.463 -16.965 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.865 -1.258 -15.597 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.133 -2.120 -16.502 1.00 0.00 H new ATOM 645 N TYR A 41 -12.316 -0.259 -11.971 1.00 0.00 N ATOM 646 CA TYR A 41 -13.101 0.419 -10.900 1.00 0.00 C ATOM 647 C TYR A 41 -12.344 1.671 -10.447 1.00 0.00 C ATOM 648 O TYR A 41 -11.343 2.042 -11.026 1.00 0.00 O ATOM 649 CB TYR A 41 -13.281 -0.531 -9.713 1.00 0.00 C ATOM 650 CG TYR A 41 -14.601 -0.246 -9.036 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.804 -0.500 -9.708 1.00 0.00 C ATOM 652 CD2 TYR A 41 -14.623 0.273 -7.734 1.00 0.00 C ATOM 653 CE1 TYR A 41 -17.029 -0.237 -9.079 1.00 0.00 C ATOM 654 CE2 TYR A 41 -15.847 0.537 -7.105 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.050 0.283 -7.778 1.00 0.00 C ATOM 656 OH TYR A 41 -18.255 0.543 -7.158 1.00 0.00 O ATOM 0 H TYR A 41 -11.303 -0.178 -11.881 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.082 0.699 -11.283 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.251 -1.566 -10.054 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.462 -0.405 -9.005 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.788 -0.899 -10.712 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.696 0.469 -7.215 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.956 -0.435 -9.597 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.863 0.936 -6.102 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.091 0.899 -6.260 1.00 0.00 H new ATOM 666 N PHE A 42 -12.812 2.328 -9.422 1.00 0.00 N ATOM 667 CA PHE A 42 -12.111 3.554 -8.945 1.00 0.00 C ATOM 668 C PHE A 42 -11.997 3.517 -7.420 1.00 0.00 C ATOM 669 O PHE A 42 -12.860 3.004 -6.737 1.00 0.00 O ATOM 670 CB PHE A 42 -12.905 4.791 -9.365 1.00 0.00 C ATOM 671 CG PHE A 42 -11.997 5.996 -9.369 1.00 0.00 C ATOM 672 CD1 PHE A 42 -11.073 6.175 -10.408 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.077 6.937 -8.334 1.00 0.00 C ATOM 674 CE1 PHE A 42 -10.230 7.293 -10.412 1.00 0.00 C ATOM 675 CE2 PHE A 42 -11.234 8.057 -8.339 1.00 0.00 C ATOM 676 CZ PHE A 42 -10.311 8.235 -9.377 1.00 0.00 C ATOM 0 H PHE A 42 -13.647 2.070 -8.895 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.114 3.595 -9.383 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.333 4.642 -10.356 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -13.737 4.952 -8.679 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.011 5.450 -11.206 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.788 6.800 -7.533 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -9.518 7.430 -11.212 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.296 8.783 -7.542 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.662 9.098 -9.380 1.00 0.00 H new ATOM 686 N LYS A 43 -10.938 4.056 -6.881 1.00 0.00 N ATOM 687 CA LYS A 43 -10.780 4.047 -5.397 1.00 0.00 C ATOM 688 C LYS A 43 -9.493 4.776 -5.001 1.00 0.00 C ATOM 689 O LYS A 43 -8.469 4.647 -5.641 1.00 0.00 O ATOM 690 CB LYS A 43 -10.714 2.599 -4.904 1.00 0.00 C ATOM 691 CG LYS A 43 -11.700 2.407 -3.751 1.00 0.00 C ATOM 692 CD LYS A 43 -11.169 1.335 -2.797 1.00 0.00 C ATOM 693 CE LYS A 43 -10.628 2.000 -1.531 1.00 0.00 C ATOM 694 NZ LYS A 43 -11.498 1.647 -0.374 1.00 0.00 N ATOM 0 H LYS A 43 -10.179 4.500 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.632 4.555 -4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.953 1.915 -5.718 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.702 2.362 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.839 3.347 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.676 2.113 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.964 0.635 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.381 0.759 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.605 1.673 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.598 3.082 -1.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.130 2.099 0.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.467 1.980 -0.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.505 0.615 -0.247 1.00 0.00 H new ATOM 708 N ASP A 44 -9.540 5.533 -3.937 1.00 0.00 N ATOM 709 CA ASP A 44 -8.325 6.267 -3.481 1.00 0.00 C ATOM 710 C ASP A 44 -7.813 7.181 -4.596 1.00 0.00 C ATOM 711 O ASP A 44 -6.683 7.624 -4.576 1.00 0.00 O ATOM 712 CB ASP A 44 -7.235 5.260 -3.108 1.00 0.00 C ATOM 713 CG ASP A 44 -7.441 4.796 -1.665 1.00 0.00 C ATOM 714 OD1 ASP A 44 -8.534 4.349 -1.358 1.00 0.00 O ATOM 715 OD2 ASP A 44 -6.503 4.897 -0.891 1.00 0.00 O ATOM 0 H ASP A 44 -10.371 5.675 -3.363 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.580 6.874 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.268 4.406 -3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.251 5.716 -3.218 1.00 0.00 H new ATOM 720 N GLY A 45 -8.632 7.467 -5.570 1.00 0.00 N ATOM 721 CA GLY A 45 -8.183 8.354 -6.682 1.00 0.00 C ATOM 722 C GLY A 45 -7.524 7.513 -7.776 1.00 0.00 C ATOM 723 O GLY A 45 -7.623 7.818 -8.949 1.00 0.00 O ATOM 0 H GLY A 45 -9.591 7.126 -5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -9.033 8.899 -7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.479 9.097 -6.307 1.00 0.00 H new ATOM 727 N ILE A 46 -6.854 6.456 -7.407 1.00 0.00 N ATOM 728 CA ILE A 46 -6.192 5.598 -8.428 1.00 0.00 C ATOM 729 C ILE A 46 -7.241 4.703 -9.092 1.00 0.00 C ATOM 730 O ILE A 46 -8.405 5.042 -9.155 1.00 0.00 O ATOM 731 CB ILE A 46 -5.126 4.733 -7.752 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.800 3.738 -6.806 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.176 5.629 -6.955 1.00 0.00 C ATOM 734 CD1 ILE A 46 -4.834 2.594 -6.497 1.00 0.00 C ATOM 0 H ILE A 46 -6.737 6.150 -6.441 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.719 6.224 -9.185 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.564 4.189 -8.511 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.094 4.239 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.710 3.347 -7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.416 5.015 -6.472 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.696 6.339 -7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.739 6.172 -6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.314 1.885 -5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.562 2.087 -7.423 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.936 2.993 -6.025 1.00 0.00 H new ATOM 746 N PHE A 47 -6.843 3.563 -9.587 1.00 0.00 N ATOM 747 CA PHE A 47 -7.829 2.660 -10.240 1.00 0.00 C ATOM 748 C PHE A 47 -7.868 1.323 -9.502 1.00 0.00 C ATOM 749 O PHE A 47 -6.958 0.980 -8.773 1.00 0.00 O ATOM 750 CB PHE A 47 -7.425 2.428 -11.696 1.00 0.00 C ATOM 751 CG PHE A 47 -8.193 3.372 -12.589 1.00 0.00 C ATOM 752 CD1 PHE A 47 -8.222 4.742 -12.299 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.878 2.877 -13.706 1.00 0.00 C ATOM 754 CE1 PHE A 47 -8.936 5.618 -13.128 1.00 0.00 C ATOM 755 CE2 PHE A 47 -9.592 3.753 -14.535 1.00 0.00 C ATOM 756 CZ PHE A 47 -9.621 5.123 -14.246 1.00 0.00 C ATOM 0 H PHE A 47 -5.883 3.220 -9.567 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.817 3.120 -10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.353 2.587 -11.817 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.628 1.396 -11.981 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.694 5.123 -11.437 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.856 1.820 -13.928 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.958 6.675 -12.905 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.120 3.372 -15.397 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.171 5.798 -14.885 1.00 0.00 H new ATOM 766 N LYS A 48 -8.913 0.564 -9.684 1.00 0.00 N ATOM 767 CA LYS A 48 -9.008 -0.749 -8.992 1.00 0.00 C ATOM 768 C LYS A 48 -9.385 -1.835 -10.003 1.00 0.00 C ATOM 769 O LYS A 48 -10.417 -1.772 -10.639 1.00 0.00 O ATOM 770 CB LYS A 48 -10.081 -0.674 -7.903 1.00 0.00 C ATOM 771 CG LYS A 48 -9.561 -1.335 -6.625 1.00 0.00 C ATOM 772 CD LYS A 48 -10.637 -2.258 -6.052 1.00 0.00 C ATOM 773 CE LYS A 48 -10.159 -2.833 -4.718 1.00 0.00 C ATOM 774 NZ LYS A 48 -9.860 -1.719 -3.775 1.00 0.00 N ATOM 0 H LYS A 48 -9.705 0.798 -10.283 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.046 -0.991 -8.541 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.342 0.366 -7.706 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.990 -1.173 -8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.656 -1.904 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.293 -0.574 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.566 -1.706 -5.910 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.849 -3.065 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.924 -3.485 -4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.269 -3.443 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.650 -2.108 -2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.038 -1.183 -4.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.683 -1.087 -3.712 1.00 0.00 H new ATOM 788 N VAL A 49 -8.555 -2.832 -10.154 1.00 0.00 N ATOM 789 CA VAL A 49 -8.868 -3.922 -11.120 1.00 0.00 C ATOM 790 C VAL A 49 -9.414 -5.129 -10.356 1.00 0.00 C ATOM 791 O VAL A 49 -8.806 -5.609 -9.419 1.00 0.00 O ATOM 792 CB VAL A 49 -7.596 -4.325 -11.869 1.00 0.00 C ATOM 793 CG1 VAL A 49 -7.965 -5.191 -13.074 1.00 0.00 C ATOM 794 CG2 VAL A 49 -6.870 -3.068 -12.352 1.00 0.00 C ATOM 0 H VAL A 49 -7.675 -2.938 -9.650 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.612 -3.573 -11.836 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.945 -4.889 -11.201 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.059 -5.478 -13.607 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.484 -6.087 -12.733 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.616 -4.627 -13.742 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.964 -3.354 -12.886 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.522 -2.505 -13.020 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.606 -2.448 -11.495 1.00 0.00 H new ATOM 804 N ARG A 50 -10.557 -5.624 -10.743 1.00 0.00 N ATOM 805 CA ARG A 50 -11.137 -6.796 -10.030 1.00 0.00 C ATOM 806 C ARG A 50 -10.971 -8.056 -10.884 1.00 0.00 C ATOM 807 O ARG A 50 -11.143 -8.030 -12.087 1.00 0.00 O ATOM 808 CB ARG A 50 -12.625 -6.550 -9.771 1.00 0.00 C ATOM 809 CG ARG A 50 -12.959 -6.928 -8.327 1.00 0.00 C ATOM 810 CD ARG A 50 -13.268 -5.661 -7.526 1.00 0.00 C ATOM 811 NE ARG A 50 -14.674 -5.711 -7.039 1.00 0.00 N ATOM 812 CZ ARG A 50 -14.918 -5.879 -5.768 1.00 0.00 C ATOM 813 NH1 ARG A 50 -14.652 -7.022 -5.198 1.00 0.00 N ATOM 814 NH2 ARG A 50 -15.427 -4.902 -5.066 1.00 0.00 N ATOM 0 H ARG A 50 -11.113 -5.268 -11.520 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.618 -6.932 -9.081 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.868 -5.503 -9.950 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.228 -7.140 -10.462 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.815 -7.603 -8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.122 -7.461 -7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.583 -5.575 -6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.119 -4.779 -8.149 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.446 -5.614 -7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -14.253 -7.784 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -14.843 -7.153 -4.205 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.634 -4.008 -5.511 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.618 -5.033 -4.073 1.00 0.00 H new ATOM 828 N LEU A 51 -10.642 -9.160 -10.271 1.00 0.00 N ATOM 829 CA LEU A 51 -10.470 -10.420 -11.047 1.00 0.00 C ATOM 830 C LEU A 51 -11.699 -11.310 -10.850 1.00 0.00 C ATOM 831 O LEU A 51 -11.650 -12.308 -10.160 1.00 0.00 O ATOM 832 CB LEU A 51 -9.224 -11.158 -10.552 1.00 0.00 C ATOM 833 CG LEU A 51 -8.217 -11.285 -11.697 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.990 -9.915 -12.335 1.00 0.00 C ATOM 835 CD2 LEU A 51 -6.889 -11.815 -11.149 1.00 0.00 C ATOM 0 H LEU A 51 -10.485 -9.244 -9.267 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.356 -10.183 -12.105 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.776 -10.618 -9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.497 -12.146 -10.182 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.606 -11.974 -12.446 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.272 -10.008 -13.150 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.934 -9.534 -12.724 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.601 -9.225 -11.586 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.170 -11.906 -11.963 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.503 -11.124 -10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.048 -12.793 -10.694 1.00 0.00 H new ATOM 847 N LEU A 52 -12.804 -10.956 -11.450 1.00 0.00 N ATOM 848 CA LEU A 52 -14.034 -11.783 -11.295 1.00 0.00 C ATOM 849 C LEU A 52 -13.724 -13.233 -11.676 1.00 0.00 C ATOM 850 O LEU A 52 -12.684 -13.532 -12.226 1.00 0.00 O ATOM 851 CB LEU A 52 -15.136 -11.239 -12.208 1.00 0.00 C ATOM 852 CG LEU A 52 -16.501 -11.489 -11.566 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.302 -10.186 -11.542 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.262 -12.539 -12.380 1.00 0.00 C ATOM 0 H LEU A 52 -12.907 -10.130 -12.040 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.370 -11.743 -10.259 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.991 -10.172 -12.375 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.087 -11.723 -13.183 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.362 -11.848 -10.546 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.275 -10.365 -11.084 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.761 -9.437 -10.963 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.442 -9.826 -12.561 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.235 -12.718 -11.923 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.400 -12.179 -13.399 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.693 -13.468 -12.398 1.00 0.00 H new ATOM 866 N GLY A 53 -14.620 -14.136 -11.385 1.00 0.00 N ATOM 867 CA GLY A 53 -14.376 -15.566 -11.729 1.00 0.00 C ATOM 868 C GLY A 53 -13.657 -16.254 -10.566 1.00 0.00 C ATOM 869 O GLY A 53 -13.905 -17.404 -10.265 1.00 0.00 O ATOM 0 H GLY A 53 -15.510 -13.946 -10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.321 -16.068 -11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.774 -15.636 -12.635 1.00 0.00 H new ATOM 873 N TYR A 54 -12.772 -15.557 -9.909 1.00 0.00 N ATOM 874 CA TYR A 54 -12.041 -16.169 -8.764 1.00 0.00 C ATOM 875 C TYR A 54 -12.712 -15.752 -7.455 1.00 0.00 C ATOM 876 O TYR A 54 -12.643 -16.446 -6.461 1.00 0.00 O ATOM 877 CB TYR A 54 -10.588 -15.690 -8.768 1.00 0.00 C ATOM 878 CG TYR A 54 -9.715 -16.722 -8.096 1.00 0.00 C ATOM 879 CD1 TYR A 54 -9.641 -16.774 -6.698 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.981 -17.630 -8.872 1.00 0.00 C ATOM 881 CE1 TYR A 54 -8.831 -17.733 -6.075 1.00 0.00 C ATOM 882 CE2 TYR A 54 -8.172 -18.589 -8.248 1.00 0.00 C ATOM 883 CZ TYR A 54 -8.096 -18.640 -6.849 1.00 0.00 C ATOM 884 OH TYR A 54 -7.299 -19.585 -6.236 1.00 0.00 O ATOM 0 H TYR A 54 -12.523 -14.590 -10.115 1.00 0.00 H new ATOM 0 HA TYR A 54 -12.063 -17.255 -8.857 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.251 -15.525 -9.791 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.507 -14.736 -8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -10.208 -16.075 -6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.039 -17.590 -9.950 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.773 -17.773 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.607 -19.289 -8.845 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.860 -20.135 -6.918 1.00 0.00 H new ATOM 894 N GLU A 55 -13.364 -14.620 -7.448 1.00 0.00 N ATOM 895 CA GLU A 55 -14.040 -14.156 -6.205 1.00 0.00 C ATOM 896 C GLU A 55 -13.029 -14.116 -5.059 1.00 0.00 C ATOM 897 O GLU A 55 -13.379 -14.234 -3.902 1.00 0.00 O ATOM 898 CB GLU A 55 -15.176 -15.118 -5.853 1.00 0.00 C ATOM 899 CG GLU A 55 -16.258 -15.046 -6.932 1.00 0.00 C ATOM 900 CD GLU A 55 -16.437 -16.425 -7.570 1.00 0.00 C ATOM 901 OE1 GLU A 55 -15.657 -16.756 -8.448 1.00 0.00 O ATOM 902 OE2 GLU A 55 -17.351 -17.126 -7.170 1.00 0.00 O ATOM 0 H GLU A 55 -13.457 -13.997 -8.251 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.447 -13.157 -6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.794 -16.136 -5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.598 -14.859 -4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.199 -14.711 -6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.980 -14.316 -7.692 1.00 0.00 H new ATOM 909 N GLY A 56 -11.775 -13.948 -5.373 1.00 0.00 N ATOM 910 CA GLY A 56 -10.736 -13.897 -4.309 1.00 0.00 C ATOM 911 C GLY A 56 -9.483 -13.223 -4.864 1.00 0.00 C ATOM 912 O GLY A 56 -8.382 -13.459 -4.404 1.00 0.00 O ATOM 0 H GLY A 56 -11.424 -13.843 -6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.109 -13.345 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.500 -14.904 -3.966 1.00 0.00 H new ATOM 916 N HIS A 57 -9.640 -12.386 -5.852 1.00 0.00 N ATOM 917 CA HIS A 57 -8.457 -11.697 -6.441 1.00 0.00 C ATOM 918 C HIS A 57 -8.737 -10.198 -6.548 1.00 0.00 C ATOM 919 O HIS A 57 -9.382 -9.739 -7.471 1.00 0.00 O ATOM 920 CB HIS A 57 -8.181 -12.264 -7.834 1.00 0.00 C ATOM 921 CG HIS A 57 -7.465 -13.581 -7.705 1.00 0.00 C ATOM 922 ND1 HIS A 57 -6.551 -14.041 -6.790 1.00 0.00 N flip ATOM 923 CD2 HIS A 57 -7.665 -14.622 -8.597 1.00 0.00 C flip ATOM 924 CE1 HIS A 57 -6.187 -15.347 -7.109 1.00 0.00 C flip ATOM 925 NE2 HIS A 57 -6.887 -15.647 -8.206 1.00 0.00 N flip ATOM 0 H HIS A 57 -10.536 -12.149 -6.277 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.589 -11.858 -5.802 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.117 -12.398 -8.376 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.576 -11.564 -8.410 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.326 -14.612 -9.451 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.489 -15.981 -6.582 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -6.838 -16.544 -8.689 1.00 0.00 H new ATOM 933 N GLU A 58 -8.251 -9.428 -5.611 1.00 0.00 N ATOM 934 CA GLU A 58 -8.483 -7.958 -5.659 1.00 0.00 C ATOM 935 C GLU A 58 -7.206 -7.264 -6.138 1.00 0.00 C ATOM 936 O GLU A 58 -6.227 -7.177 -5.422 1.00 0.00 O ATOM 937 CB GLU A 58 -8.848 -7.453 -4.261 1.00 0.00 C ATOM 938 CG GLU A 58 -9.129 -5.950 -4.317 1.00 0.00 C ATOM 939 CD GLU A 58 -9.496 -5.448 -2.919 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.081 -6.214 -2.171 1.00 0.00 O ATOM 941 OE2 GLU A 58 -9.185 -4.306 -2.620 1.00 0.00 O ATOM 0 H GLU A 58 -7.703 -9.755 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.300 -7.737 -6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.724 -7.984 -3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.033 -7.656 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.252 -5.419 -4.687 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.943 -5.747 -5.013 1.00 0.00 H new ATOM 948 N CYS A 59 -7.207 -6.773 -7.346 1.00 0.00 N ATOM 949 CA CYS A 59 -5.993 -6.090 -7.871 1.00 0.00 C ATOM 950 C CYS A 59 -6.243 -4.584 -7.945 1.00 0.00 C ATOM 951 O CYS A 59 -7.370 -4.132 -7.984 1.00 0.00 O ATOM 952 CB CYS A 59 -5.674 -6.622 -9.269 1.00 0.00 C ATOM 953 SG CYS A 59 -5.897 -8.417 -9.300 1.00 0.00 S ATOM 0 H CYS A 59 -7.996 -6.815 -7.992 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.152 -6.285 -7.205 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.325 -6.152 -10.006 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.650 -6.368 -9.541 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.628 -8.867 -10.489 1.00 0.00 H new ATOM 959 N ILE A 60 -5.198 -3.807 -7.969 1.00 0.00 N ATOM 960 CA ILE A 60 -5.365 -2.331 -8.047 1.00 0.00 C ATOM 961 C ILE A 60 -4.525 -1.797 -9.206 1.00 0.00 C ATOM 962 O ILE A 60 -3.401 -2.213 -9.413 1.00 0.00 O ATOM 963 CB ILE A 60 -4.896 -1.694 -6.738 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.511 -2.238 -6.381 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.882 -2.041 -5.622 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.805 -1.260 -5.439 1.00 0.00 C ATOM 0 H ILE A 60 -4.232 -4.132 -7.938 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.415 -2.086 -8.209 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.846 -0.611 -6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.604 -3.214 -5.906 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.920 -2.379 -7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.549 -1.588 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.870 -1.660 -5.878 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.930 -3.123 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.818 -1.648 -5.185 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.699 -0.293 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.394 -1.142 -4.529 1.00 0.00 H new ATOM 978 N LEU A 61 -5.058 -0.885 -9.970 1.00 0.00 N ATOM 979 CA LEU A 61 -4.283 -0.339 -11.117 1.00 0.00 C ATOM 980 C LEU A 61 -3.648 0.996 -10.728 1.00 0.00 C ATOM 981 O LEU A 61 -4.296 1.875 -10.191 1.00 0.00 O ATOM 982 CB LEU A 61 -5.214 -0.130 -12.311 1.00 0.00 C ATOM 983 CG LEU A 61 -4.405 0.406 -13.492 1.00 0.00 C ATOM 984 CD1 LEU A 61 -3.965 -0.758 -14.381 1.00 0.00 C ATOM 985 CD2 LEU A 61 -5.274 1.369 -14.306 1.00 0.00 C ATOM 0 H LEU A 61 -5.993 -0.496 -9.850 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.498 -1.046 -11.385 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.695 -1.070 -12.581 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.007 0.571 -12.050 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.525 0.931 -13.122 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.388 -0.375 -15.223 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.349 -1.446 -13.802 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.844 -1.284 -14.753 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.700 1.753 -15.149 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.153 0.842 -14.676 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.588 2.199 -13.673 1.00 0.00 H new ATOM 997 N LEU A 62 -2.383 1.150 -11.001 1.00 0.00 N ATOM 998 CA LEU A 62 -1.690 2.424 -10.659 1.00 0.00 C ATOM 999 C LEU A 62 -0.338 2.466 -11.370 1.00 0.00 C ATOM 1000 O LEU A 62 0.106 3.502 -11.823 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.470 2.499 -9.148 1.00 0.00 C ATOM 1002 CG LEU A 62 -0.695 3.773 -8.809 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.568 4.688 -7.949 1.00 0.00 C ATOM 1004 CD2 LEU A 62 0.575 3.408 -8.038 1.00 0.00 C ATOM 0 H LEU A 62 -1.796 0.446 -11.448 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.301 3.268 -10.977 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.429 2.495 -8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.919 1.623 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.425 4.289 -9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.016 5.596 -7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.473 4.949 -8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.839 4.172 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.128 4.316 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.306 2.891 -7.117 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.198 2.756 -8.651 1.00 0.00 H new ATOM 1016 N ASP A 63 0.319 1.343 -11.475 1.00 0.00 N ATOM 1017 CA ASP A 63 1.640 1.317 -12.160 1.00 0.00 C ATOM 1018 C ASP A 63 1.520 2.037 -13.502 1.00 0.00 C ATOM 1019 O ASP A 63 2.285 2.930 -13.809 1.00 0.00 O ATOM 1020 CB ASP A 63 2.066 -0.134 -12.394 1.00 0.00 C ATOM 1021 CG ASP A 63 3.091 -0.543 -11.334 1.00 0.00 C ATOM 1022 OD1 ASP A 63 2.714 -0.633 -10.177 1.00 0.00 O ATOM 1023 OD2 ASP A 63 4.236 -0.758 -11.697 1.00 0.00 O ATOM 0 H ASP A 63 -0.003 0.444 -11.116 1.00 0.00 H new ATOM 0 HA ASP A 63 2.386 1.815 -11.541 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.197 -0.791 -12.348 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.495 -0.242 -13.390 1.00 0.00 H new ATOM 1028 N TYR A 64 0.562 1.659 -14.302 1.00 0.00 N ATOM 1029 CA TYR A 64 0.391 2.327 -15.621 1.00 0.00 C ATOM 1030 C TYR A 64 -0.994 2.976 -15.685 1.00 0.00 C ATOM 1031 O TYR A 64 -1.681 2.900 -16.684 1.00 0.00 O ATOM 1032 CB TYR A 64 0.527 1.294 -16.740 1.00 0.00 C ATOM 1033 CG TYR A 64 1.839 1.507 -17.458 1.00 0.00 C ATOM 1034 CD1 TYR A 64 1.912 2.404 -18.532 1.00 0.00 C ATOM 1035 CD2 TYR A 64 2.983 0.810 -17.048 1.00 0.00 C ATOM 1036 CE1 TYR A 64 3.129 2.603 -19.197 1.00 0.00 C ATOM 1037 CE2 TYR A 64 4.200 1.009 -17.713 1.00 0.00 C ATOM 1038 CZ TYR A 64 4.273 1.905 -18.787 1.00 0.00 C ATOM 1039 OH TYR A 64 5.472 2.101 -19.442 1.00 0.00 O ATOM 0 H TYR A 64 -0.109 0.918 -14.099 1.00 0.00 H new ATOM 0 HA TYR A 64 1.157 3.093 -15.744 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.484 0.286 -16.327 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -0.303 1.387 -17.440 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.030 2.942 -18.847 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.927 0.119 -16.220 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.185 3.294 -20.025 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.082 0.471 -17.397 1.00 0.00 H new ATOM 0 HH TYR A 64 6.164 1.542 -19.032 1.00 0.00 H new ATOM 1049 N LEU A 65 -1.406 3.618 -14.625 1.00 0.00 N ATOM 1050 CA LEU A 65 -2.743 4.275 -14.623 1.00 0.00 C ATOM 1051 C LEU A 65 -2.833 5.246 -15.802 1.00 0.00 C ATOM 1052 O LEU A 65 -3.360 4.922 -16.847 1.00 0.00 O ATOM 1053 CB LEU A 65 -2.929 5.040 -13.310 1.00 0.00 C ATOM 1054 CG LEU A 65 -4.241 5.826 -13.352 1.00 0.00 C ATOM 1055 CD1 LEU A 65 -5.348 5.012 -12.680 1.00 0.00 C ATOM 1056 CD2 LEU A 65 -4.061 7.151 -12.606 1.00 0.00 C ATOM 0 H LEU A 65 -0.874 3.715 -13.760 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.524 3.520 -14.716 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.937 4.344 -12.471 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.092 5.720 -13.152 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.514 6.022 -14.389 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.282 5.573 -12.711 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.475 4.066 -13.207 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.077 4.816 -11.643 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.994 7.714 -12.634 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.789 6.951 -11.570 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.272 7.733 -13.083 1.00 0.00 H new ATOM 1068 N ASN A 66 -2.322 6.437 -15.641 1.00 0.00 N ATOM 1069 CA ASN A 66 -2.378 7.428 -16.753 1.00 0.00 C ATOM 1070 C ASN A 66 -1.693 8.724 -16.316 1.00 0.00 C ATOM 1071 O ASN A 66 -0.782 8.716 -15.512 1.00 0.00 O ATOM 1072 CB ASN A 66 -3.840 7.718 -17.105 1.00 0.00 C ATOM 1073 CG ASN A 66 -4.513 8.438 -15.936 1.00 0.00 C ATOM 1074 OD1 ASN A 66 -3.895 8.677 -14.917 1.00 0.00 O ATOM 1075 ND2 ASN A 66 -5.764 8.797 -16.039 1.00 0.00 N ATOM 0 H ASN A 66 -1.869 6.766 -14.788 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.867 7.023 -17.626 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.894 8.332 -18.004 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.364 6.787 -17.323 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.222 9.278 -15.265 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.283 8.597 -16.894 1.00 0.00 H new ATOM 1082 N TYR A 67 -2.125 9.838 -16.838 1.00 0.00 N ATOM 1083 CA TYR A 67 -1.498 11.134 -16.452 1.00 0.00 C ATOM 1084 C TYR A 67 -2.422 11.875 -15.483 1.00 0.00 C ATOM 1085 O TYR A 67 -3.614 11.647 -15.450 1.00 0.00 O ATOM 1086 CB TYR A 67 -1.277 11.984 -17.705 1.00 0.00 C ATOM 1087 CG TYR A 67 -0.024 11.521 -18.408 1.00 0.00 C ATOM 1088 CD1 TYR A 67 -0.091 10.488 -19.352 1.00 0.00 C ATOM 1089 CD2 TYR A 67 1.207 12.123 -18.115 1.00 0.00 C ATOM 1090 CE1 TYR A 67 1.073 10.056 -20.004 1.00 0.00 C ATOM 1091 CE2 TYR A 67 2.371 11.692 -18.766 1.00 0.00 C ATOM 1092 CZ TYR A 67 2.304 10.658 -19.711 1.00 0.00 C ATOM 1093 OH TYR A 67 3.449 10.233 -20.351 1.00 0.00 O ATOM 0 H TYR A 67 -2.885 9.908 -17.515 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.539 10.949 -15.968 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.135 11.898 -18.372 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.188 13.036 -17.434 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.040 10.024 -19.578 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.259 12.919 -17.387 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.021 9.260 -20.732 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.320 12.156 -18.540 1.00 0.00 H new ATOM 0 HH TYR A 67 4.215 10.756 -20.033 1.00 0.00 H new ATOM 1103 N ARG A 68 -1.879 12.759 -14.691 1.00 0.00 N ATOM 1104 CA ARG A 68 -2.726 13.511 -13.724 1.00 0.00 C ATOM 1105 C ARG A 68 -3.338 14.730 -14.417 1.00 0.00 C ATOM 1106 O ARG A 68 -3.329 15.825 -13.889 1.00 0.00 O ATOM 1107 CB ARG A 68 -1.867 13.973 -12.545 1.00 0.00 C ATOM 1108 CG ARG A 68 -1.332 12.751 -11.794 1.00 0.00 C ATOM 1109 CD ARG A 68 -0.213 13.183 -10.845 1.00 0.00 C ATOM 1110 NE ARG A 68 0.119 12.058 -9.926 1.00 0.00 N ATOM 1111 CZ ARG A 68 1.101 11.248 -10.214 1.00 0.00 C ATOM 1112 NH1 ARG A 68 0.944 10.330 -11.127 1.00 0.00 N ATOM 1113 NH2 ARG A 68 2.241 11.356 -9.586 1.00 0.00 N ATOM 0 H ARG A 68 -0.886 12.992 -14.672 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.524 12.862 -13.362 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.039 14.585 -12.902 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.457 14.596 -11.873 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.136 12.276 -11.232 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.957 12.012 -12.502 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.670 13.474 -11.415 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.525 14.056 -10.271 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.421 11.921 -9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.053 10.245 -11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.712 9.697 -11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.363 12.073 -8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.009 10.723 -9.811 1.00 0.00 H new ATOM 1127 N GLN A 69 -3.871 14.551 -15.594 1.00 0.00 N ATOM 1128 CA GLN A 69 -4.486 15.701 -16.315 1.00 0.00 C ATOM 1129 C GLN A 69 -5.507 16.381 -15.402 1.00 0.00 C ATOM 1130 O GLN A 69 -6.206 15.735 -14.647 1.00 0.00 O ATOM 1131 CB GLN A 69 -5.184 15.198 -17.580 1.00 0.00 C ATOM 1132 CG GLN A 69 -4.278 15.429 -18.791 1.00 0.00 C ATOM 1133 CD GLN A 69 -4.543 14.347 -19.839 1.00 0.00 C ATOM 1134 OE1 GLN A 69 -4.651 13.181 -19.513 1.00 0.00 O ATOM 1135 NE2 GLN A 69 -4.654 14.685 -21.095 1.00 0.00 N ATOM 0 H GLN A 69 -3.907 13.659 -16.087 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.711 16.416 -16.592 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -5.415 14.137 -17.483 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.131 15.719 -17.717 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -4.465 16.415 -19.216 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.232 15.406 -18.486 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.564 15.663 -21.370 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.831 13.971 -21.802 1.00 0.00 H new ATOM 1144 N ASP A 70 -5.600 17.682 -15.459 1.00 0.00 N ATOM 1145 CA ASP A 70 -6.575 18.398 -14.589 1.00 0.00 C ATOM 1146 C ASP A 70 -7.959 18.376 -15.240 1.00 0.00 C ATOM 1147 O ASP A 70 -8.398 19.347 -15.823 1.00 0.00 O ATOM 1148 CB ASP A 70 -6.121 19.846 -14.400 1.00 0.00 C ATOM 1149 CG ASP A 70 -5.071 19.908 -13.290 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -4.230 19.025 -13.247 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -5.124 20.838 -12.502 1.00 0.00 O ATOM 0 H ASP A 70 -5.043 18.279 -16.070 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.626 17.903 -13.619 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.706 20.233 -15.331 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.973 20.476 -14.145 1.00 0.00 H new ATOM 1156 N THR A 71 -8.650 17.272 -15.143 1.00 0.00 N ATOM 1157 CA THR A 71 -10.005 17.184 -15.753 1.00 0.00 C ATOM 1158 C THR A 71 -10.782 16.042 -15.094 1.00 0.00 C ATOM 1159 O THR A 71 -10.355 14.905 -15.100 1.00 0.00 O ATOM 1160 CB THR A 71 -9.875 16.911 -17.254 1.00 0.00 C ATOM 1161 OG1 THR A 71 -8.822 17.701 -17.787 1.00 0.00 O ATOM 1162 CG2 THR A 71 -11.186 17.266 -17.955 1.00 0.00 C ATOM 0 H THR A 71 -8.333 16.427 -14.667 1.00 0.00 H new ATOM 0 HA THR A 71 -10.535 18.124 -15.601 1.00 0.00 H new ATOM 0 HB THR A 71 -9.655 15.855 -17.414 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.813 18.575 -17.345 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.092 17.071 -19.023 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.994 16.659 -17.545 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.409 18.321 -17.797 1.00 0.00 H new ATOM 1170 N LEU A 72 -11.918 16.336 -14.522 1.00 0.00 N ATOM 1171 CA LEU A 72 -12.716 15.265 -13.862 1.00 0.00 C ATOM 1172 C LEU A 72 -13.056 14.180 -14.886 1.00 0.00 C ATOM 1173 O LEU A 72 -13.150 13.014 -14.560 1.00 0.00 O ATOM 1174 CB LEU A 72 -14.009 15.861 -13.301 1.00 0.00 C ATOM 1175 CG LEU A 72 -14.068 15.619 -11.792 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -14.764 16.799 -11.110 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -14.853 14.335 -11.513 1.00 0.00 C ATOM 0 H LEU A 72 -12.327 17.270 -14.483 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.136 14.829 -13.048 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.051 16.930 -13.511 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.872 15.407 -13.787 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.055 15.520 -11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.805 16.625 -10.035 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.206 17.714 -11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -15.777 16.899 -11.500 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -14.896 14.161 -10.438 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.865 14.435 -11.905 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -14.358 13.493 -11.997 1.00 0.00 H new ATOM 1189 N ASP A 73 -13.241 14.554 -16.122 1.00 0.00 N ATOM 1190 CA ASP A 73 -13.574 13.545 -17.164 1.00 0.00 C ATOM 1191 C ASP A 73 -14.832 12.781 -16.746 1.00 0.00 C ATOM 1192 O ASP A 73 -14.761 11.683 -16.230 1.00 0.00 O ATOM 1193 CB ASP A 73 -12.406 12.567 -17.317 1.00 0.00 C ATOM 1194 CG ASP A 73 -11.433 13.097 -18.372 1.00 0.00 C ATOM 1195 OD1 ASP A 73 -10.720 14.041 -18.071 1.00 0.00 O ATOM 1196 OD2 ASP A 73 -11.414 12.548 -19.461 1.00 0.00 O ATOM 0 H ASP A 73 -13.176 15.516 -16.455 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.753 14.046 -18.115 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.893 12.444 -16.363 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.776 11.584 -17.609 1.00 0.00 H new ATOM 1201 N ARG A 74 -15.983 13.355 -16.962 1.00 0.00 N ATOM 1202 CA ARG A 74 -17.248 12.667 -16.574 1.00 0.00 C ATOM 1203 C ARG A 74 -17.461 11.440 -17.463 1.00 0.00 C ATOM 1204 O ARG A 74 -17.941 10.417 -17.018 1.00 0.00 O ATOM 1205 CB ARG A 74 -18.422 13.632 -16.745 1.00 0.00 C ATOM 1206 CG ARG A 74 -19.653 13.069 -16.034 1.00 0.00 C ATOM 1207 CD ARG A 74 -20.917 13.684 -16.639 1.00 0.00 C ATOM 1208 NE ARG A 74 -21.567 14.571 -15.635 1.00 0.00 N ATOM 1209 CZ ARG A 74 -21.422 15.865 -15.716 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -21.814 16.499 -16.788 1.00 0.00 N ATOM 1211 NH2 ARG A 74 -20.884 16.525 -14.728 1.00 0.00 N ATOM 0 H ARG A 74 -16.103 14.272 -17.391 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.184 12.350 -15.533 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.167 14.609 -16.334 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -18.635 13.778 -17.804 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -19.680 11.984 -16.134 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -19.603 13.289 -14.968 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.665 14.253 -17.534 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.606 12.897 -16.945 1.00 0.00 H new ATOM 0 HE ARG A 74 -22.126 14.167 -14.884 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.233 15.983 -17.561 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -21.701 17.511 -16.852 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.576 16.029 -13.891 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -20.771 17.537 -14.792 1.00 0.00 H new ATOM 1225 N LEU A 75 -17.110 11.532 -18.717 1.00 0.00 N ATOM 1226 CA LEU A 75 -17.297 10.370 -19.631 1.00 0.00 C ATOM 1227 C LEU A 75 -16.603 9.139 -19.044 1.00 0.00 C ATOM 1228 O LEU A 75 -17.172 8.067 -18.977 1.00 0.00 O ATOM 1229 CB LEU A 75 -16.692 10.694 -20.999 1.00 0.00 C ATOM 1230 CG LEU A 75 -17.075 9.601 -21.998 1.00 0.00 C ATOM 1231 CD1 LEU A 75 -18.258 10.073 -22.845 1.00 0.00 C ATOM 1232 CD2 LEU A 75 -15.883 9.305 -22.909 1.00 0.00 C ATOM 0 H LEU A 75 -16.702 12.362 -19.148 1.00 0.00 H new ATOM 0 HA LEU A 75 -18.362 10.166 -19.744 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.052 11.662 -21.347 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.607 10.766 -20.921 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.355 8.697 -21.457 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.530 9.293 -23.557 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -19.108 10.285 -22.197 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.980 10.977 -23.386 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.154 8.526 -23.622 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.604 10.210 -23.449 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.040 8.968 -22.307 1.00 0.00 H new ATOM 1244 N LYS A 76 -15.377 9.281 -18.619 1.00 0.00 N ATOM 1245 CA LYS A 76 -14.650 8.116 -18.037 1.00 0.00 C ATOM 1246 C LYS A 76 -15.384 7.633 -16.785 1.00 0.00 C ATOM 1247 O LYS A 76 -15.305 6.480 -16.415 1.00 0.00 O ATOM 1248 CB LYS A 76 -13.227 8.535 -17.662 1.00 0.00 C ATOM 1249 CG LYS A 76 -12.221 7.655 -18.405 1.00 0.00 C ATOM 1250 CD LYS A 76 -12.496 6.184 -18.087 1.00 0.00 C ATOM 1251 CE LYS A 76 -11.415 5.656 -17.141 1.00 0.00 C ATOM 1252 NZ LYS A 76 -10.495 4.754 -17.890 1.00 0.00 N ATOM 0 H LYS A 76 -14.848 10.152 -18.649 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.609 7.311 -18.771 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.067 9.583 -17.916 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.081 8.442 -16.586 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.296 7.826 -19.479 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.205 7.918 -18.111 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.479 6.078 -17.629 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.508 5.598 -19.006 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.856 6.487 -16.711 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.874 5.117 -16.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.926 4.202 -17.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.051 4.107 -18.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.865 5.322 -18.492 1.00 0.00 H new ATOM 1266 N GLU A 77 -16.095 8.508 -16.130 1.00 0.00 N ATOM 1267 CA GLU A 77 -16.832 8.098 -14.901 1.00 0.00 C ATOM 1268 C GLU A 77 -17.750 6.917 -15.227 1.00 0.00 C ATOM 1269 O GLU A 77 -17.754 5.914 -14.542 1.00 0.00 O ATOM 1270 CB GLU A 77 -17.671 9.274 -14.396 1.00 0.00 C ATOM 1271 CG GLU A 77 -17.924 9.116 -12.895 1.00 0.00 C ATOM 1272 CD GLU A 77 -17.700 10.458 -12.195 1.00 0.00 C ATOM 1273 OE1 GLU A 77 -18.291 11.434 -12.626 1.00 0.00 O ATOM 1274 OE2 GLU A 77 -16.942 10.485 -11.241 1.00 0.00 O ATOM 0 H GLU A 77 -16.198 9.488 -16.392 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.120 7.802 -14.130 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.154 10.213 -14.591 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -18.619 9.315 -14.933 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -18.943 8.769 -12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.256 8.362 -12.480 1.00 0.00 H new ATOM 1281 N ARG A 78 -18.529 7.028 -16.268 1.00 0.00 N ATOM 1282 CA ARG A 78 -19.448 5.914 -16.636 1.00 0.00 C ATOM 1283 C ARG A 78 -18.657 4.799 -17.329 1.00 0.00 C ATOM 1284 O ARG A 78 -19.008 3.638 -17.253 1.00 0.00 O ATOM 1285 CB ARG A 78 -20.530 6.436 -17.583 1.00 0.00 C ATOM 1286 CG ARG A 78 -21.910 6.085 -17.022 1.00 0.00 C ATOM 1287 CD ARG A 78 -22.974 6.312 -18.096 1.00 0.00 C ATOM 1288 NE ARG A 78 -23.197 7.774 -18.277 1.00 0.00 N ATOM 1289 CZ ARG A 78 -24.187 8.199 -19.014 1.00 0.00 C ATOM 1290 NH1 ARG A 78 -24.136 8.071 -20.312 1.00 0.00 N ATOM 1291 NH2 ARG A 78 -25.230 8.748 -18.453 1.00 0.00 N ATOM 0 H ARG A 78 -18.569 7.843 -16.880 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.914 5.518 -15.733 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.437 7.516 -17.699 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.405 5.997 -18.573 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -21.926 5.046 -16.694 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -22.125 6.699 -16.147 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -22.657 5.863 -19.037 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -23.906 5.825 -17.808 1.00 0.00 H new ATOM 0 HE ARG A 78 -22.575 8.444 -17.824 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -23.323 7.639 -20.750 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -24.910 8.403 -20.888 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -25.272 8.845 -17.438 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -26.003 9.080 -19.029 1.00 0.00 H new ATOM 1305 N LEU A 79 -17.597 5.142 -18.007 1.00 0.00 N ATOM 1306 CA LEU A 79 -16.793 4.099 -18.708 1.00 0.00 C ATOM 1307 C LEU A 79 -16.193 3.134 -17.682 1.00 0.00 C ATOM 1308 O LEU A 79 -15.981 1.970 -17.965 1.00 0.00 O ATOM 1309 CB LEU A 79 -15.667 4.768 -19.501 1.00 0.00 C ATOM 1310 CG LEU A 79 -15.692 4.264 -20.945 1.00 0.00 C ATOM 1311 CD1 LEU A 79 -16.244 5.360 -21.859 1.00 0.00 C ATOM 1312 CD2 LEU A 79 -14.270 3.904 -21.382 1.00 0.00 C ATOM 0 H LEU A 79 -17.252 6.097 -18.107 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.438 3.545 -19.390 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.787 5.851 -19.480 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.703 4.545 -19.043 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.328 3.382 -21.012 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.262 5.001 -22.888 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.256 5.618 -21.547 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -15.608 6.243 -21.794 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.286 3.545 -22.411 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -13.634 4.787 -21.316 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.876 3.124 -20.731 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.918 3.603 -16.494 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.332 2.703 -15.461 1.00 0.00 C ATOM 1326 C VAL A 80 -16.078 1.371 -15.476 1.00 0.00 C ATOM 1327 O VAL A 80 -17.140 1.248 -16.054 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.462 3.341 -14.078 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.846 2.415 -13.027 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.729 4.684 -14.061 1.00 0.00 C ATOM 0 H VAL A 80 -16.073 4.566 -16.196 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.277 2.541 -15.681 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.517 3.499 -13.852 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.939 2.871 -12.041 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.367 1.458 -13.035 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.792 2.256 -13.255 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.823 5.137 -13.074 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.675 4.526 -14.289 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.166 5.347 -14.808 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.530 0.372 -14.847 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.206 -0.955 -14.828 1.00 0.00 C ATOM 1342 C GLY A 81 -15.829 -1.736 -16.089 1.00 0.00 C ATOM 1343 O GLY A 81 -15.514 -2.908 -16.027 1.00 0.00 O ATOM 0 H GLY A 81 -14.643 0.415 -14.345 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.911 -1.513 -13.939 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.287 -0.824 -14.778 1.00 0.00 H new ATOM 1347 N ARG A 82 -15.864 -1.091 -17.229 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.517 -1.777 -18.510 1.00 0.00 C ATOM 1349 C ARG A 82 -14.395 -2.793 -18.283 1.00 0.00 C ATOM 1350 O ARG A 82 -13.556 -2.627 -17.420 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.059 -0.734 -19.531 1.00 0.00 C ATOM 1352 CG ARG A 82 -15.071 -1.350 -20.932 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.106 -0.630 -21.798 1.00 0.00 C ATOM 1354 NE ARG A 82 -16.895 -1.635 -22.564 1.00 0.00 N ATOM 1355 CZ ARG A 82 -17.737 -1.245 -23.482 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -17.312 -0.565 -24.512 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -19.004 -1.537 -23.370 1.00 0.00 N ATOM 0 H ARG A 82 -16.121 -0.109 -17.326 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.397 -2.302 -18.882 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.716 0.135 -19.499 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.056 -0.384 -19.285 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.083 -1.269 -21.385 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -15.308 -2.412 -20.872 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.768 -0.032 -21.172 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.609 0.057 -22.483 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.777 -2.630 -22.371 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.321 -0.338 -24.600 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.970 -0.261 -25.229 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -19.335 -2.069 -22.566 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.663 -1.233 -24.087 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.381 -3.848 -19.054 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.322 -4.882 -18.887 1.00 0.00 C ATOM 1373 C VAL A 83 -12.223 -4.661 -19.928 1.00 0.00 C ATOM 1374 O VAL A 83 -12.488 -4.296 -21.057 1.00 0.00 O ATOM 1375 CB VAL A 83 -13.935 -6.270 -19.082 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -12.850 -7.335 -18.917 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.033 -6.492 -18.040 1.00 0.00 C ATOM 0 H VAL A 83 -15.059 -4.037 -19.793 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.895 -4.807 -17.887 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.363 -6.342 -20.082 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.287 -8.324 -19.056 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.068 -7.176 -19.660 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.421 -7.265 -17.918 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.471 -7.481 -18.178 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.605 -6.421 -17.040 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.806 -5.733 -18.159 1.00 0.00 H new ATOM 1387 N ILE A 84 -10.990 -4.879 -19.559 1.00 0.00 N ATOM 1388 CA ILE A 84 -9.876 -4.682 -20.529 1.00 0.00 C ATOM 1389 C ILE A 84 -8.736 -5.652 -20.206 1.00 0.00 C ATOM 1390 O ILE A 84 -8.733 -6.304 -19.180 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.355 -3.244 -20.432 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.559 -3.072 -19.133 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.530 -2.262 -20.449 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.446 -3.404 -17.931 1.00 0.00 C ATOM 0 H ILE A 84 -10.706 -5.185 -18.628 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.243 -4.870 -21.538 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.707 -3.040 -21.284 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.685 -3.724 -19.142 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.192 -2.049 -19.054 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.153 -1.242 -20.380 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.089 -2.380 -21.377 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.186 -2.465 -19.602 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.874 -3.280 -17.011 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.306 -2.734 -17.917 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.791 -4.435 -18.007 1.00 0.00 H new ATOM 1406 N LYS A 85 -7.764 -5.747 -21.072 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.621 -6.666 -20.814 1.00 0.00 C ATOM 1408 C LYS A 85 -5.443 -5.859 -20.262 1.00 0.00 C ATOM 1409 O LYS A 85 -4.859 -5.045 -20.950 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.209 -7.349 -22.119 1.00 0.00 C ATOM 1411 CG LYS A 85 -7.099 -8.571 -22.359 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.313 -9.847 -22.048 1.00 0.00 C ATOM 1413 CE LYS A 85 -6.337 -10.770 -23.267 1.00 0.00 C ATOM 1414 NZ LYS A 85 -5.235 -10.392 -24.197 1.00 0.00 N ATOM 0 H LYS A 85 -7.713 -5.227 -21.948 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.916 -7.425 -20.090 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.299 -6.651 -22.951 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.163 -7.652 -22.069 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.987 -8.516 -21.729 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.442 -8.586 -23.393 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.284 -9.599 -21.787 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.747 -10.354 -21.186 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.223 -11.808 -22.953 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.298 -10.694 -23.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.250 -11.019 -25.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.363 -9.407 -24.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.321 -10.486 -23.709 1.00 0.00 H new ATOM 1428 N THR A 86 -5.094 -6.074 -19.023 1.00 0.00 N ATOM 1429 CA THR A 86 -3.960 -5.313 -18.425 1.00 0.00 C ATOM 1430 C THR A 86 -2.834 -6.278 -18.051 1.00 0.00 C ATOM 1431 O THR A 86 -2.970 -7.480 -18.168 1.00 0.00 O ATOM 1432 CB THR A 86 -4.445 -4.586 -17.168 1.00 0.00 C ATOM 1433 OG1 THR A 86 -4.968 -5.537 -16.250 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.537 -3.585 -17.547 1.00 0.00 C ATOM 0 H THR A 86 -5.545 -6.743 -18.399 1.00 0.00 H new ATOM 0 HA THR A 86 -3.589 -4.587 -19.148 1.00 0.00 H new ATOM 0 HB THR A 86 -3.613 -4.054 -16.708 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.590 -5.092 -15.637 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.882 -3.067 -16.652 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.136 -2.859 -18.254 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.372 -4.114 -18.005 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.721 -5.763 -17.601 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.591 -6.657 -17.221 1.00 0.00 C ATOM 1444 C ARG A 87 -0.536 -6.792 -15.697 1.00 0.00 C ATOM 1445 O ARG A 87 -1.088 -5.985 -14.970 1.00 0.00 O ATOM 1446 CB ARG A 87 0.725 -6.063 -17.730 1.00 0.00 C ATOM 1447 CG ARG A 87 0.913 -6.425 -19.205 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.260 -5.878 -20.021 1.00 0.00 C ATOM 1449 NE ARG A 87 0.242 -5.354 -21.322 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.069 -5.961 -22.436 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.322 -6.135 -22.757 1.00 0.00 N ATOM 1452 NH2 ARG A 87 0.873 -6.394 -23.228 1.00 0.00 N ATOM 0 H ARG A 87 -1.547 -4.765 -17.481 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.741 -7.640 -17.667 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.718 -4.980 -17.609 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.560 -6.444 -17.142 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.851 -6.011 -19.575 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.975 -7.507 -19.319 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.995 -6.664 -20.193 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.764 -5.086 -19.468 1.00 0.00 H new ATOM 0 HE ARG A 87 0.829 -4.520 -21.343 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.059 -5.797 -22.138 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.564 -6.609 -23.627 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.852 -6.259 -22.977 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.630 -6.868 -24.098 1.00 0.00 H new ATOM 1466 N VAL A 88 0.133 -7.802 -15.208 1.00 0.00 N ATOM 1467 CA VAL A 88 0.225 -7.992 -13.734 1.00 0.00 C ATOM 1468 C VAL A 88 1.538 -7.396 -13.238 1.00 0.00 C ATOM 1469 O VAL A 88 2.605 -7.728 -13.715 1.00 0.00 O ATOM 1470 CB VAL A 88 0.188 -9.486 -13.407 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.294 -9.682 -11.894 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.129 -10.085 -13.907 1.00 0.00 C ATOM 0 H VAL A 88 0.619 -8.503 -15.767 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.614 -7.496 -13.246 1.00 0.00 H new ATOM 0 HB VAL A 88 1.024 -9.985 -13.897 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.268 -10.747 -11.662 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.232 -9.256 -11.537 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.541 -9.183 -11.403 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.156 -11.150 -13.674 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.965 -9.585 -13.418 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.205 -9.947 -14.986 1.00 0.00 H new ATOM 1482 N VAL A 89 1.468 -6.501 -12.292 1.00 0.00 N ATOM 1483 CA VAL A 89 2.710 -5.869 -11.778 1.00 0.00 C ATOM 1484 C VAL A 89 3.333 -6.742 -10.685 1.00 0.00 C ATOM 1485 O VAL A 89 4.538 -6.866 -10.593 1.00 0.00 O ATOM 1486 CB VAL A 89 2.376 -4.495 -11.202 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.632 -3.878 -10.582 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.862 -3.587 -12.318 1.00 0.00 C ATOM 0 H VAL A 89 0.604 -6.182 -11.854 1.00 0.00 H new ATOM 0 HA VAL A 89 3.422 -5.764 -12.597 1.00 0.00 H new ATOM 0 HB VAL A 89 1.609 -4.601 -10.435 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.391 -2.897 -10.172 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.000 -4.525 -9.785 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.401 -3.772 -11.347 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.623 -2.606 -11.908 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.630 -3.483 -13.085 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.966 -4.024 -12.759 1.00 0.00 H new ATOM 1498 N ARG A 90 2.527 -7.344 -9.853 1.00 0.00 N ATOM 1499 CA ARG A 90 3.088 -8.199 -8.769 1.00 0.00 C ATOM 1500 C ARG A 90 1.952 -8.725 -7.889 1.00 0.00 C ATOM 1501 O ARG A 90 1.411 -8.013 -7.066 1.00 0.00 O ATOM 1502 CB ARG A 90 4.048 -7.369 -7.915 1.00 0.00 C ATOM 1503 CG ARG A 90 5.176 -8.264 -7.397 1.00 0.00 C ATOM 1504 CD ARG A 90 6.272 -7.396 -6.775 1.00 0.00 C ATOM 1505 NE ARG A 90 6.424 -7.743 -5.335 1.00 0.00 N ATOM 1506 CZ ARG A 90 6.441 -6.798 -4.433 1.00 0.00 C ATOM 1507 NH1 ARG A 90 5.341 -6.161 -4.135 1.00 0.00 N ATOM 1508 NH2 ARG A 90 7.557 -6.490 -3.830 1.00 0.00 N ATOM 0 H ARG A 90 1.509 -7.281 -9.877 1.00 0.00 H new ATOM 0 HA ARG A 90 3.623 -9.040 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.461 -6.550 -8.505 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.512 -6.921 -7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 90 4.788 -8.964 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.587 -8.858 -8.213 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.215 -7.552 -7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.019 -6.341 -6.881 1.00 0.00 H new ATOM 0 HE ARG A 90 6.515 -8.719 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.469 -6.401 -4.606 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.354 -5.423 -3.431 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.417 -6.987 -4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.569 -5.752 -3.126 1.00 0.00 H new ATOM 1522 N ALA A 91 1.592 -9.967 -8.052 1.00 0.00 N ATOM 1523 CA ALA A 91 0.498 -10.543 -7.221 1.00 0.00 C ATOM 1524 C ALA A 91 1.105 -11.350 -6.071 1.00 0.00 C ATOM 1525 O ALA A 91 1.883 -12.260 -6.283 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.371 -11.460 -8.083 1.00 0.00 C ATOM 0 H ALA A 91 2.009 -10.609 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.115 -9.737 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.171 -11.881 -7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.803 -10.887 -8.903 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.241 -12.267 -8.487 1.00 0.00 H new ATOM 1532 N ASP A 92 0.760 -11.025 -4.854 1.00 0.00 N ATOM 1533 CA ASP A 92 1.323 -11.775 -3.696 1.00 0.00 C ATOM 1534 C ASP A 92 0.199 -12.514 -2.966 1.00 0.00 C ATOM 1535 O ASP A 92 0.428 -13.495 -2.287 1.00 0.00 O ATOM 1536 CB ASP A 92 1.999 -10.796 -2.734 1.00 0.00 C ATOM 1537 CG ASP A 92 3.341 -10.353 -3.318 1.00 0.00 C ATOM 1538 OD1 ASP A 92 4.083 -11.211 -3.765 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.605 -9.162 -3.306 1.00 0.00 O ATOM 0 H ASP A 92 0.114 -10.274 -4.613 1.00 0.00 H new ATOM 0 HA ASP A 92 2.056 -12.497 -4.055 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.358 -9.930 -2.570 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.151 -11.269 -1.764 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.014 -12.052 -3.099 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.147 -12.731 -2.410 1.00 0.00 C ATOM 1546 C GLY A 93 -3.462 -12.045 -2.787 1.00 0.00 C ATOM 1547 O GLY A 93 -3.690 -11.703 -3.929 1.00 0.00 O ATOM 0 H GLY A 93 -1.269 -11.235 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.180 -13.783 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.003 -12.695 -1.330 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.329 -11.843 -1.833 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.630 -11.181 -2.135 1.00 0.00 C ATOM 1553 C LEU A 94 -5.375 -9.811 -2.768 1.00 0.00 C ATOM 1554 O LEU A 94 -6.131 -9.351 -3.601 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.423 -11.008 -0.838 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.520 -12.072 -0.766 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -6.890 -13.463 -0.872 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.262 -11.949 0.566 1.00 0.00 C ATOM 0 H LEU A 94 -4.193 -12.108 -0.857 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.199 -11.797 -2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.759 -11.096 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.864 -10.012 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.221 -11.927 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.671 -14.221 -0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.360 -13.551 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.189 -13.608 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.044 -12.707 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.561 -12.094 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.711 -10.959 0.642 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.315 -9.157 -2.382 1.00 0.00 N ATOM 1571 CA TYR A 95 -4.012 -7.818 -2.963 1.00 0.00 C ATOM 1572 C TYR A 95 -2.962 -7.969 -4.068 1.00 0.00 C ATOM 1573 O TYR A 95 -1.949 -8.616 -3.889 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.469 -6.899 -1.867 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.619 -6.288 -1.103 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.838 -6.974 -1.004 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.468 -5.037 -0.491 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.905 -6.406 -0.294 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.534 -4.470 0.219 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.753 -5.154 0.318 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.803 -4.596 1.017 1.00 0.00 O ATOM 0 H TYR A 95 -3.645 -9.491 -1.689 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.922 -7.387 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.828 -7.463 -1.190 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.854 -6.114 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.955 -7.939 -1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.529 -4.509 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.845 -6.933 -0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.416 -3.505 0.690 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.530 -3.727 1.379 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.197 -7.383 -5.210 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.209 -7.503 -6.321 1.00 0.00 C ATOM 1593 C VAL A 96 -1.995 -6.139 -6.983 1.00 0.00 C ATOM 1594 O VAL A 96 -2.822 -5.255 -6.892 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.736 -8.492 -7.362 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.736 -8.603 -8.513 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.919 -9.866 -6.713 1.00 0.00 C ATOM 0 H VAL A 96 -4.026 -6.828 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.260 -7.858 -5.918 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.694 -8.139 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.112 -9.308 -9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.604 -7.625 -8.976 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.778 -8.955 -8.130 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.295 -10.571 -7.454 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.961 -10.218 -6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.632 -9.789 -5.892 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.888 -5.968 -7.658 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.614 -4.670 -8.339 1.00 0.00 C ATOM 1609 C ASP A 97 -0.962 -4.811 -9.824 1.00 0.00 C ATOM 1610 O ASP A 97 -0.918 -5.894 -10.374 1.00 0.00 O ATOM 1611 CB ASP A 97 0.866 -4.315 -8.178 1.00 0.00 C ATOM 1612 CG ASP A 97 1.139 -2.937 -8.787 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.825 -2.751 -9.951 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.654 -2.090 -8.077 1.00 0.00 O ATOM 0 H ASP A 97 -0.160 -6.674 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.217 -3.877 -7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.137 -4.316 -7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.485 -5.068 -8.666 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.327 -3.739 -10.478 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.698 -3.851 -11.920 1.00 0.00 C ATOM 1621 C LEU A 98 -1.158 -2.664 -12.721 1.00 0.00 C ATOM 1622 O LEU A 98 -1.190 -1.531 -12.279 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.224 -3.867 -12.034 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.682 -5.111 -12.798 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.345 -4.947 -14.280 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -2.968 -6.345 -12.243 1.00 0.00 C ATOM 0 H LEU A 98 -1.384 -2.801 -10.082 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.266 -4.768 -12.321 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.671 -3.857 -11.040 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.567 -2.969 -12.547 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.759 -5.235 -12.681 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.670 -5.832 -14.827 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.856 -4.069 -14.674 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.268 -4.823 -14.397 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.295 -7.230 -12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.891 -6.225 -12.359 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.209 -6.460 -11.186 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.682 -2.920 -13.914 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.164 -1.813 -14.767 1.00 0.00 C ATOM 1640 C ARG A 99 -0.870 -1.854 -16.123 1.00 0.00 C ATOM 1641 O ARG A 99 -0.794 -2.832 -16.845 1.00 0.00 O ATOM 1642 CB ARG A 99 1.342 -1.976 -14.976 1.00 0.00 C ATOM 1643 CG ARG A 99 1.613 -3.273 -15.738 1.00 0.00 C ATOM 1644 CD ARG A 99 3.087 -3.651 -15.594 1.00 0.00 C ATOM 1645 NE ARG A 99 3.823 -3.256 -16.827 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.550 -4.133 -17.462 1.00 0.00 C ATOM 1647 NH1 ARG A 99 3.976 -5.060 -18.180 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.851 -4.084 -17.380 1.00 0.00 N ATOM 0 H ARG A 99 -0.631 -3.849 -14.332 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.355 -0.859 -14.276 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.737 -1.126 -15.532 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.854 -1.993 -14.014 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.982 -4.073 -15.351 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.360 -3.148 -16.791 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.518 -3.153 -14.725 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.184 -4.724 -15.428 1.00 0.00 H new ATOM 0 HE ARG A 99 3.758 -2.299 -17.175 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.959 -5.098 -18.244 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.545 -5.746 -18.677 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.300 -3.360 -16.819 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.420 -4.770 -17.877 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.559 -0.805 -16.475 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.271 -0.787 -17.784 1.00 0.00 C ATOM 1664 C ARG A 100 -1.252 -0.666 -18.918 1.00 0.00 C ATOM 1665 O ARG A 100 -0.109 -0.313 -18.704 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.226 0.409 -17.828 1.00 0.00 C ATOM 1667 CG ARG A 100 -4.463 0.044 -18.651 1.00 0.00 C ATOM 1668 CD ARG A 100 -5.659 0.861 -18.163 1.00 0.00 C ATOM 1669 NE ARG A 100 -6.865 0.501 -18.962 1.00 0.00 N ATOM 1670 CZ ARG A 100 -7.425 1.391 -19.735 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -6.817 1.789 -20.819 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -8.594 1.882 -19.424 1.00 0.00 N ATOM 0 H ARG A 100 -1.660 0.041 -15.914 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.838 -1.711 -17.902 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.519 0.691 -16.817 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.725 1.272 -18.267 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -4.281 0.241 -19.708 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.674 -1.021 -18.557 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.839 0.667 -17.106 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.450 1.926 -18.260 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.252 -0.441 -18.905 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.904 1.404 -21.062 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -7.255 2.485 -21.423 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.069 1.570 -18.577 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.032 2.578 -20.028 1.00 0.00 H new ATOM 1686 N PHE A 101 -1.655 -0.958 -20.124 1.00 0.00 N ATOM 1687 CA PHE A 101 -0.708 -0.862 -21.270 1.00 0.00 C ATOM 1688 C PHE A 101 -0.640 0.586 -21.755 1.00 0.00 C ATOM 1689 O PHE A 101 -1.404 1.430 -21.333 1.00 0.00 O ATOM 1690 CB PHE A 101 -1.190 -1.760 -22.410 1.00 0.00 C ATOM 1691 CG PHE A 101 -2.503 -1.236 -22.945 1.00 0.00 C ATOM 1692 CD1 PHE A 101 -2.510 -0.270 -23.959 1.00 0.00 C ATOM 1693 CD2 PHE A 101 -3.712 -1.718 -22.428 1.00 0.00 C ATOM 1694 CE1 PHE A 101 -3.727 0.215 -24.457 1.00 0.00 C ATOM 1695 CE2 PHE A 101 -4.930 -1.233 -22.925 1.00 0.00 C ATOM 1696 CZ PHE A 101 -4.936 -0.266 -23.939 1.00 0.00 C ATOM 0 H PHE A 101 -2.599 -1.259 -20.365 1.00 0.00 H new ATOM 0 HA PHE A 101 0.282 -1.185 -20.949 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.446 -1.786 -23.206 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.313 -2.783 -22.054 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.577 0.101 -24.357 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.706 -2.463 -21.646 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.732 0.959 -25.240 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.863 -1.604 -22.527 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.874 0.109 -24.321 1.00 0.00 H new ATOM 1706 N PHE A 102 0.272 0.880 -22.641 1.00 0.00 N ATOM 1707 CA PHE A 102 0.392 2.273 -23.154 1.00 0.00 C ATOM 1708 C PHE A 102 0.750 3.213 -22.001 1.00 0.00 C ATOM 1709 O PHE A 102 1.312 4.262 -22.271 1.00 0.00 O ATOM 1710 CB PHE A 102 -0.940 2.706 -23.771 1.00 0.00 C ATOM 1711 CG PHE A 102 -0.842 4.143 -24.224 1.00 0.00 C ATOM 1712 CD1 PHE A 102 0.204 4.539 -25.067 1.00 0.00 C ATOM 1713 CD2 PHE A 102 -1.795 5.078 -23.801 1.00 0.00 C ATOM 1714 CE1 PHE A 102 0.297 5.873 -25.488 1.00 0.00 C ATOM 1715 CE2 PHE A 102 -1.702 6.411 -24.222 1.00 0.00 C ATOM 1716 CZ PHE A 102 -0.656 6.808 -25.066 1.00 0.00 C ATOM 1717 OXT PHE A 102 0.457 2.867 -20.869 1.00 0.00 O ATOM 0 H PHE A 102 0.939 0.215 -23.032 1.00 0.00 H new ATOM 0 HA PHE A 102 1.174 2.315 -23.912 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -1.187 2.063 -24.616 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.743 2.597 -23.042 1.00 0.00 H new ATOM 0 HD1 PHE A 102 0.938 3.817 -25.393 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.601 4.772 -23.151 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.104 6.179 -26.138 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.436 7.133 -23.896 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.585 7.835 -25.391 1.00 0.00 H new TER 1727 PHE A 102