USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1090 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 GLN : amide:sc= -3.98! X(o=-4!,f=-3.7) USER MOD Set 1.2: A 11 LYS NZ :NH3+ -124:sc= 0.00746 (180deg=0) USER MOD Single : A 10 SER OG : rot 89:sc= 0.823 USER MOD Single : A 14 ASN : amide:sc= -9.42! C(o=-9.4!,f=-16!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot -134:sc= -1.76 USER MOD Single : A 25 CYS SG : rot 148:sc= 0.216 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -85:sc= 0.215 USER MOD Single : A 37 HIS : no HD1:sc= -0.343 X(o=-0.34,f=-0.69) USER MOD Single : A 41 GLN : amide:sc= -0.0326 K(o=-0.033,f=-0.76) USER MOD Single : A 42 THR OG1 : rot 89:sc= 0.152 USER MOD Single : A 45 GLN : amide:sc= -3.27! C(o=-3.3!,f=-2.5!) USER MOD Single : A 46 ASN : amide:sc= -9.08! C(o=-9.1!,f=-23!) USER MOD Single : A 48 CYS SG : rot 161:sc= -4.74! USER MOD Single : A 53 SER OG : rot 69:sc= 0.275! USER MOD Single : A 60 THR OG1 : rot -130:sc= 0 USER MOD Single : A 62 THR OG1 : rot 140:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.6) USER MOD Single : A 65 SER OG : rot 32:sc= 0.231 USER MOD Single : A 67 GLN : amide:sc= -4.52! C(o=-4.5!,f=-4.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0.593 K(o=0.59,f=-0.72) USER MOD Single : A 77 GLN : amide:sc= -3.69 X(o=-3.7,f=-3.2) USER MOD Single : A 79 GLN : amide:sc= -5.13! C(o=-5.1!,f=-3.1!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 22:sc= 0.0613! USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 148:sc= 1.81 (180deg=1.27) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 160:sc= -0.322 (180deg=-1.57) USER MOD Single : A 104 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.68) USER MOD Single : A 107 CYS SG : rot -143:sc= -5.87! USER MOD Single : A 111 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0699) USER MOD Single : A 117 HIS : no HD1:sc= -5.95! C(o=-5.9!,f=-7.6!) USER MOD Single : A 122 MET CE :methyl -119:sc= -0.0527 (180deg=-0.505) USER MOD Single : A 124 CYS SG : rot 180:sc= -1.08 USER MOD Single : A 133 GLN : amide:sc= -0.0329 K(o=-0.033,f=-1.7!) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 140 GLN : amide:sc= -7.37! C(o=-7.4!,f=-22!) USER MOD Single : A 141 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -15.683 -25.762 -3.064 1.00 0.00 N ATOM 2 CA VAL A 4 -14.284 -25.901 -3.549 1.00 0.00 C ATOM 3 C VAL A 4 -13.436 -24.810 -2.914 1.00 0.00 C ATOM 4 O VAL A 4 -12.381 -24.481 -3.390 1.00 0.00 O ATOM 5 CB VAL A 4 -14.249 -25.761 -5.082 1.00 0.00 C ATOM 6 CG1 VAL A 4 -13.023 -26.488 -5.636 1.00 0.00 C ATOM 7 CG2 VAL A 4 -15.523 -26.374 -5.674 1.00 0.00 C ATOM 0 HA VAL A 4 -13.893 -26.881 -3.275 1.00 0.00 H new ATOM 0 HB VAL A 4 -14.192 -24.706 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -13.000 -26.388 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.119 -26.051 -5.212 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.075 -27.544 -5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.503 -26.277 -6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -15.578 -27.429 -5.405 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.395 -25.853 -5.279 1.00 0.00 H new ATOM 17 N VAL A 5 -13.911 -24.239 -1.854 1.00 0.00 N ATOM 18 CA VAL A 5 -13.145 -23.147 -1.194 1.00 0.00 C ATOM 19 C VAL A 5 -11.879 -23.626 -0.463 1.00 0.00 C ATOM 20 O VAL A 5 -10.965 -22.847 -0.281 1.00 0.00 O ATOM 21 CB VAL A 5 -14.023 -22.363 -0.215 1.00 0.00 C ATOM 22 CG1 VAL A 5 -14.513 -23.272 0.916 1.00 0.00 C ATOM 23 CG2 VAL A 5 -13.190 -21.217 0.374 1.00 0.00 C ATOM 0 H VAL A 5 -14.798 -24.478 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.823 -22.499 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.893 -21.971 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -15.135 -22.697 1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -15.097 -24.092 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.656 -23.675 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.800 -20.647 1.075 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.325 -21.627 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -12.852 -20.562 -0.429 1.00 0.00 H new ATOM 33 N PRO A 6 -11.782 -24.859 -0.041 1.00 0.00 N ATOM 34 CA PRO A 6 -10.565 -25.328 0.668 1.00 0.00 C ATOM 35 C PRO A 6 -9.400 -25.298 -0.311 1.00 0.00 C ATOM 36 O PRO A 6 -8.283 -25.642 -0.004 1.00 0.00 O ATOM 37 CB PRO A 6 -10.917 -26.766 1.110 1.00 0.00 C ATOM 38 CG PRO A 6 -12.403 -26.858 0.975 1.00 0.00 C ATOM 39 CD PRO A 6 -12.760 -25.936 -0.181 1.00 0.00 C ATOM 0 HA PRO A 6 -10.276 -24.718 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.417 -27.505 0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -10.601 -26.952 2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.717 -27.882 0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -12.901 -26.548 1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.673 -26.440 -1.144 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.783 -25.567 -0.105 1.00 0.00 H new ATOM 47 N ASP A 7 -9.696 -24.890 -1.511 1.00 0.00 N ATOM 48 CA ASP A 7 -8.675 -24.827 -2.581 1.00 0.00 C ATOM 49 C ASP A 7 -7.936 -23.479 -2.512 1.00 0.00 C ATOM 50 O ASP A 7 -6.793 -23.365 -2.909 1.00 0.00 O ATOM 51 CB ASP A 7 -9.425 -24.977 -3.921 1.00 0.00 C ATOM 52 CG ASP A 7 -9.774 -23.610 -4.530 1.00 0.00 C ATOM 53 OD1 ASP A 7 -10.760 -23.028 -4.119 1.00 0.00 O ATOM 54 OD2 ASP A 7 -9.037 -23.171 -5.394 1.00 0.00 O ATOM 0 H ASP A 7 -10.628 -24.591 -1.798 1.00 0.00 H new ATOM 0 HA ASP A 7 -7.930 -25.615 -2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -8.810 -25.542 -4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.339 -25.550 -3.765 1.00 0.00 H new ATOM 59 N GLN A 8 -8.598 -22.457 -2.031 1.00 0.00 N ATOM 60 CA GLN A 8 -7.949 -21.111 -1.955 1.00 0.00 C ATOM 61 C GLN A 8 -6.928 -21.102 -0.825 1.00 0.00 C ATOM 62 O GLN A 8 -5.737 -20.977 -1.042 1.00 0.00 O ATOM 63 CB GLN A 8 -9.025 -20.068 -1.661 1.00 0.00 C ATOM 64 CG GLN A 8 -10.161 -20.234 -2.669 1.00 0.00 C ATOM 65 CD GLN A 8 -9.620 -20.082 -4.096 1.00 0.00 C ATOM 66 OE1 GLN A 8 -8.848 -19.188 -4.373 1.00 0.00 O ATOM 67 NE2 GLN A 8 -9.984 -20.938 -5.017 1.00 0.00 N ATOM 0 H GLN A 8 -9.558 -22.495 -1.688 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.450 -20.886 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.401 -20.190 -0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.606 -19.064 -1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.625 -21.213 -2.549 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.935 -19.490 -2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.633 -21.690 -4.786 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.619 -20.853 -5.966 1.00 0.00 H new ATOM 76 N ARG A 9 -7.380 -21.243 0.381 1.00 0.00 N ATOM 77 CA ARG A 9 -6.430 -21.259 1.520 1.00 0.00 C ATOM 78 C ARG A 9 -5.374 -22.348 1.328 1.00 0.00 C ATOM 79 O ARG A 9 -4.217 -22.157 1.635 1.00 0.00 O ATOM 80 CB ARG A 9 -7.207 -21.508 2.815 1.00 0.00 C ATOM 81 CG ARG A 9 -7.768 -22.931 2.814 1.00 0.00 C ATOM 82 CD ARG A 9 -8.751 -23.078 3.974 1.00 0.00 C ATOM 83 NE ARG A 9 -9.137 -24.506 4.128 1.00 0.00 N ATOM 84 CZ ARG A 9 -9.714 -24.898 5.228 1.00 0.00 C ATOM 85 NH1 ARG A 9 -9.968 -24.029 6.168 1.00 0.00 N ATOM 86 NH2 ARG A 9 -10.038 -26.152 5.386 1.00 0.00 N ATOM 0 H ARG A 9 -8.364 -21.348 0.630 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.921 -20.297 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.554 -21.365 3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.019 -20.787 2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.268 -23.138 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.959 -23.655 2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.298 -22.713 4.896 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.637 -22.470 3.792 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.951 -25.173 3.379 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.715 -23.049 6.039 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.420 -24.329 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.839 -26.827 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.490 -26.457 6.248 1.00 0.00 H new ATOM 100 N SER A 10 -5.761 -23.501 0.849 1.00 0.00 N ATOM 101 CA SER A 10 -4.758 -24.599 0.687 1.00 0.00 C ATOM 102 C SER A 10 -3.761 -24.305 -0.437 1.00 0.00 C ATOM 103 O SER A 10 -2.569 -24.414 -0.253 1.00 0.00 O ATOM 104 CB SER A 10 -5.462 -25.922 0.391 1.00 0.00 C ATOM 105 OG SER A 10 -6.478 -26.148 1.359 1.00 0.00 O ATOM 0 H SER A 10 -6.714 -23.730 0.566 1.00 0.00 H new ATOM 0 HA SER A 10 -4.208 -24.668 1.626 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.896 -25.899 -0.608 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.742 -26.740 0.407 1.00 0.00 H new ATOM 0 HG SER A 10 -7.316 -25.742 1.054 1.00 0.00 H new ATOM 111 N LYS A 11 -4.208 -23.967 -1.613 1.00 0.00 N ATOM 112 CA LYS A 11 -3.216 -23.718 -2.695 1.00 0.00 C ATOM 113 C LYS A 11 -2.372 -22.485 -2.350 1.00 0.00 C ATOM 114 O LYS A 11 -1.171 -22.469 -2.519 1.00 0.00 O ATOM 115 CB LYS A 11 -3.944 -23.518 -4.041 1.00 0.00 C ATOM 116 CG LYS A 11 -4.491 -22.087 -4.165 1.00 0.00 C ATOM 117 CD LYS A 11 -5.411 -21.996 -5.385 1.00 0.00 C ATOM 118 CE LYS A 11 -5.770 -20.532 -5.657 1.00 0.00 C ATOM 119 NZ LYS A 11 -6.863 -20.488 -6.666 1.00 0.00 N ATOM 0 H LYS A 11 -5.189 -23.854 -1.869 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.555 -24.580 -2.784 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.258 -23.721 -4.863 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.763 -24.233 -4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.039 -21.816 -3.262 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.668 -21.379 -4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.918 -22.427 -6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.318 -22.576 -5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.087 -20.043 -4.736 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.897 -19.990 -6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.566 -19.906 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.073 -21.453 -6.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.715 -20.075 -6.237 1.00 0.00 H new ATOM 133 N PHE A 12 -2.999 -21.441 -1.894 1.00 0.00 N ATOM 134 CA PHE A 12 -2.240 -20.201 -1.571 1.00 0.00 C ATOM 135 C PHE A 12 -1.230 -20.468 -0.439 1.00 0.00 C ATOM 136 O PHE A 12 -0.156 -19.898 -0.418 1.00 0.00 O ATOM 137 CB PHE A 12 -3.233 -19.088 -1.166 1.00 0.00 C ATOM 138 CG PHE A 12 -2.690 -17.733 -1.581 1.00 0.00 C ATOM 139 CD1 PHE A 12 -1.631 -17.141 -0.880 1.00 0.00 C ATOM 140 CD2 PHE A 12 -3.244 -17.074 -2.688 1.00 0.00 C ATOM 141 CE1 PHE A 12 -1.135 -15.895 -1.290 1.00 0.00 C ATOM 142 CE2 PHE A 12 -2.745 -15.832 -3.093 1.00 0.00 C ATOM 143 CZ PHE A 12 -1.690 -15.244 -2.393 1.00 0.00 C ATOM 0 H PHE A 12 -4.004 -21.391 -1.730 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.681 -19.879 -2.450 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.200 -19.262 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.396 -19.109 -0.089 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.198 -17.642 -0.027 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.060 -17.528 -3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.320 -15.437 -0.750 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.175 -15.328 -3.946 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.303 -14.285 -2.705 1.00 0.00 H new ATOM 153 N GLU A 13 -1.566 -21.301 0.520 1.00 0.00 N ATOM 154 CA GLU A 13 -0.606 -21.553 1.642 1.00 0.00 C ATOM 155 C GLU A 13 0.597 -22.383 1.179 1.00 0.00 C ATOM 156 O GLU A 13 1.675 -22.277 1.732 1.00 0.00 O ATOM 157 CB GLU A 13 -1.317 -22.245 2.830 1.00 0.00 C ATOM 158 CG GLU A 13 -1.436 -23.780 2.629 1.00 0.00 C ATOM 159 CD GLU A 13 -0.373 -24.522 3.450 1.00 0.00 C ATOM 160 OE1 GLU A 13 0.800 -24.223 3.280 1.00 0.00 O ATOM 161 OE2 GLU A 13 -0.754 -25.384 4.229 1.00 0.00 O ATOM 0 H GLU A 13 -2.449 -21.809 0.574 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.234 -20.585 1.977 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.767 -22.042 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.312 -21.818 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.430 -24.114 2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.321 -24.023 1.573 1.00 0.00 H new ATOM 168 N ASN A 14 0.421 -23.234 0.198 1.00 0.00 N ATOM 169 CA ASN A 14 1.558 -24.101 -0.257 1.00 0.00 C ATOM 170 C ASN A 14 2.270 -23.503 -1.482 1.00 0.00 C ATOM 171 O ASN A 14 3.305 -23.992 -1.895 1.00 0.00 O ATOM 172 CB ASN A 14 1.009 -25.493 -0.581 1.00 0.00 C ATOM 173 CG ASN A 14 -0.192 -25.370 -1.516 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.181 -24.583 -2.438 1.00 0.00 O ATOM 175 ND2 ASN A 14 -1.241 -26.124 -1.317 1.00 0.00 N ATOM 0 H ASN A 14 -0.455 -23.367 -0.307 1.00 0.00 H new ATOM 0 HA ASN A 14 2.298 -24.166 0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.784 -26.100 -1.048 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.716 -26.001 0.338 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.048 -26.049 -1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.253 -26.787 -0.542 1.00 0.00 H new ATOM 182 N GLU A 15 1.752 -22.444 -2.056 1.00 0.00 N ATOM 183 CA GLU A 15 2.445 -21.828 -3.234 1.00 0.00 C ATOM 184 C GLU A 15 3.655 -21.012 -2.734 1.00 0.00 C ATOM 185 O GLU A 15 3.626 -20.433 -1.665 1.00 0.00 O ATOM 186 CB GLU A 15 1.455 -20.922 -4.014 1.00 0.00 C ATOM 187 CG GLU A 15 0.895 -21.667 -5.239 1.00 0.00 C ATOM 188 CD GLU A 15 0.155 -22.928 -4.797 1.00 0.00 C ATOM 189 OE1 GLU A 15 0.821 -23.892 -4.458 1.00 0.00 O ATOM 190 OE2 GLU A 15 -1.062 -22.913 -4.816 1.00 0.00 O ATOM 0 H GLU A 15 0.890 -21.983 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 15 2.796 -22.608 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.637 -20.619 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.961 -20.011 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.219 -21.015 -5.792 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.708 -21.932 -5.915 1.00 0.00 H new ATOM 197 N GLU A 16 4.721 -20.980 -3.498 1.00 0.00 N ATOM 198 CA GLU A 16 5.940 -20.223 -3.075 1.00 0.00 C ATOM 199 C GLU A 16 5.768 -18.738 -3.409 1.00 0.00 C ATOM 200 O GLU A 16 6.696 -17.961 -3.334 1.00 0.00 O ATOM 201 CB GLU A 16 7.171 -20.762 -3.809 1.00 0.00 C ATOM 202 CG GLU A 16 7.307 -22.270 -3.573 1.00 0.00 C ATOM 203 CD GLU A 16 7.532 -22.551 -2.085 1.00 0.00 C ATOM 204 OE1 GLU A 16 6.558 -22.588 -1.358 1.00 0.00 O ATOM 205 OE2 GLU A 16 8.677 -22.724 -1.697 1.00 0.00 O ATOM 0 H GLU A 16 4.798 -21.448 -4.401 1.00 0.00 H new ATOM 0 HA GLU A 16 6.075 -20.345 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.085 -20.560 -4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.067 -20.249 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.408 -22.782 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.140 -22.664 -4.155 1.00 0.00 H new ATOM 212 N PHE A 17 4.592 -18.344 -3.792 1.00 0.00 N ATOM 213 CA PHE A 17 4.354 -16.915 -4.149 1.00 0.00 C ATOM 214 C PHE A 17 4.853 -15.996 -3.030 1.00 0.00 C ATOM 215 O PHE A 17 5.000 -14.803 -3.231 1.00 0.00 O ATOM 216 CB PHE A 17 2.849 -16.700 -4.386 1.00 0.00 C ATOM 217 CG PHE A 17 2.501 -15.215 -4.395 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.047 -14.355 -5.363 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.625 -14.702 -3.428 1.00 0.00 C ATOM 220 CE1 PHE A 17 2.711 -12.989 -5.357 1.00 0.00 C ATOM 221 CE2 PHE A 17 1.292 -13.343 -3.424 1.00 0.00 C ATOM 222 CZ PHE A 17 1.834 -12.486 -4.387 1.00 0.00 C ATOM 0 H PHE A 17 3.776 -18.951 -3.875 1.00 0.00 H new ATOM 0 HA PHE A 17 4.903 -16.672 -5.059 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.559 -17.150 -5.335 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.279 -17.205 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.724 -14.742 -6.110 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.205 -15.360 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.130 -12.327 -6.101 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.616 -12.956 -2.676 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.577 -11.437 -4.383 1.00 0.00 H new ATOM 232 N PHE A 18 5.115 -16.503 -1.850 1.00 0.00 N ATOM 233 CA PHE A 18 5.579 -15.574 -0.792 1.00 0.00 C ATOM 234 C PHE A 18 7.010 -15.133 -1.097 1.00 0.00 C ATOM 235 O PHE A 18 7.265 -13.966 -1.336 1.00 0.00 O ATOM 236 CB PHE A 18 5.556 -16.252 0.581 1.00 0.00 C ATOM 237 CG PHE A 18 4.226 -16.931 0.809 1.00 0.00 C ATOM 238 CD1 PHE A 18 3.042 -16.185 0.771 1.00 0.00 C ATOM 239 CD2 PHE A 18 4.173 -18.310 1.067 1.00 0.00 C ATOM 240 CE1 PHE A 18 1.816 -16.815 0.991 1.00 0.00 C ATOM 241 CE2 PHE A 18 2.940 -18.937 1.287 1.00 0.00 C ATOM 242 CZ PHE A 18 1.763 -18.186 1.248 1.00 0.00 C ATOM 0 H PHE A 18 5.030 -17.484 -1.586 1.00 0.00 H new ATOM 0 HA PHE A 18 4.909 -14.714 -0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.361 -16.984 0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.733 -15.513 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.077 -15.124 0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.085 -18.888 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.903 -16.238 0.962 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.899 -19.998 1.486 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.811 -18.667 1.417 1.00 0.00 H new ATOM 252 N ARG A 19 7.945 -16.045 -1.105 1.00 0.00 N ATOM 253 CA ARG A 19 9.362 -15.659 -1.396 1.00 0.00 C ATOM 254 C ARG A 19 9.521 -15.072 -2.813 1.00 0.00 C ATOM 255 O ARG A 19 10.382 -14.243 -3.048 1.00 0.00 O ATOM 256 CB ARG A 19 10.300 -16.873 -1.210 1.00 0.00 C ATOM 257 CG ARG A 19 9.589 -18.182 -1.623 1.00 0.00 C ATOM 258 CD ARG A 19 8.944 -18.844 -0.394 1.00 0.00 C ATOM 259 NE ARG A 19 10.006 -19.492 0.444 1.00 0.00 N ATOM 260 CZ ARG A 19 10.771 -20.434 -0.034 1.00 0.00 C ATOM 261 NH1 ARG A 19 10.499 -20.979 -1.188 1.00 0.00 N ATOM 262 NH2 ARG A 19 11.782 -20.871 0.667 1.00 0.00 N ATOM 0 H ARG A 19 7.793 -17.037 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 19 9.640 -14.880 -0.686 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.201 -16.738 -1.809 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.616 -16.938 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.827 -17.970 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 19 10.305 -18.865 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.407 -18.099 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.212 -19.587 -0.711 1.00 0.00 H new ATOM 0 HE ARG A 19 10.133 -19.189 1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.686 -20.669 -1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.100 -21.715 -1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.973 -20.476 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.381 -21.608 0.294 1.00 0.00 H new ATOM 276 N LYS A 20 8.743 -15.515 -3.765 1.00 0.00 N ATOM 277 CA LYS A 20 8.902 -14.991 -5.156 1.00 0.00 C ATOM 278 C LYS A 20 8.700 -13.473 -5.199 1.00 0.00 C ATOM 279 O LYS A 20 9.405 -12.776 -5.898 1.00 0.00 O ATOM 280 CB LYS A 20 7.890 -15.679 -6.070 1.00 0.00 C ATOM 281 CG LYS A 20 8.204 -17.178 -6.125 1.00 0.00 C ATOM 282 CD LYS A 20 7.197 -17.904 -7.034 1.00 0.00 C ATOM 283 CE LYS A 20 7.601 -17.762 -8.506 1.00 0.00 C ATOM 284 NZ LYS A 20 6.673 -18.567 -9.349 1.00 0.00 N ATOM 0 H LYS A 20 8.009 -16.212 -3.643 1.00 0.00 H new ATOM 0 HA LYS A 20 9.915 -15.205 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.878 -15.520 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.933 -15.249 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 20 9.217 -17.330 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.168 -17.601 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.150 -18.959 -6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.199 -17.491 -6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.567 -16.714 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.627 -18.101 -8.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.943 -18.474 -10.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.727 -19.567 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.700 -18.223 -9.220 1.00 0.00 H new ATOM 298 N LEU A 21 7.743 -12.943 -4.476 1.00 0.00 N ATOM 299 CA LEU A 21 7.528 -11.451 -4.501 1.00 0.00 C ATOM 300 C LEU A 21 7.031 -10.955 -3.148 1.00 0.00 C ATOM 301 O LEU A 21 7.442 -9.919 -2.667 1.00 0.00 O ATOM 302 CB LEU A 21 6.468 -11.086 -5.551 1.00 0.00 C ATOM 303 CG LEU A 21 7.011 -11.283 -6.971 1.00 0.00 C ATOM 304 CD1 LEU A 21 5.879 -11.023 -7.968 1.00 0.00 C ATOM 305 CD2 LEU A 21 8.173 -10.299 -7.242 1.00 0.00 C ATOM 0 H LEU A 21 7.106 -13.466 -3.875 1.00 0.00 H new ATOM 0 HA LEU A 21 8.483 -10.985 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.581 -11.704 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.159 -10.049 -5.416 1.00 0.00 H new ATOM 0 HG LEU A 21 7.384 -12.301 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.250 -11.159 -8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.063 -11.722 -7.783 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.516 -10.002 -7.848 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.549 -10.450 -8.254 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.815 -9.275 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.975 -10.478 -6.526 1.00 0.00 H new ATOM 317 N SER A 22 6.118 -11.662 -2.553 1.00 0.00 N ATOM 318 CA SER A 22 5.560 -11.212 -1.255 1.00 0.00 C ATOM 319 C SER A 22 6.502 -11.567 -0.105 1.00 0.00 C ATOM 320 O SER A 22 6.302 -12.522 0.624 1.00 0.00 O ATOM 321 CB SER A 22 4.173 -11.838 -1.076 1.00 0.00 C ATOM 322 OG SER A 22 4.098 -13.025 -1.839 1.00 0.00 O ATOM 0 H SER A 22 5.733 -12.536 -2.912 1.00 0.00 H new ATOM 0 HA SER A 22 5.460 -10.127 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.992 -12.056 -0.023 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.401 -11.138 -1.394 1.00 0.00 H new ATOM 0 HG SER A 22 3.251 -13.044 -2.331 1.00 0.00 H new ATOM 328 N ARG A 23 7.519 -10.777 0.055 1.00 0.00 N ATOM 329 CA ARG A 23 8.505 -10.990 1.146 1.00 0.00 C ATOM 330 C ARG A 23 9.058 -9.598 1.499 1.00 0.00 C ATOM 331 O ARG A 23 8.549 -8.602 1.015 1.00 0.00 O ATOM 332 CB ARG A 23 9.624 -11.911 0.635 1.00 0.00 C ATOM 333 CG ARG A 23 10.250 -12.691 1.799 1.00 0.00 C ATOM 334 CD ARG A 23 11.529 -13.390 1.327 1.00 0.00 C ATOM 335 NE ARG A 23 11.820 -14.562 2.214 1.00 0.00 N ATOM 336 CZ ARG A 23 11.930 -14.429 3.507 1.00 0.00 C ATOM 337 NH1 ARG A 23 11.954 -13.245 4.055 1.00 0.00 N ATOM 338 NH2 ARG A 23 12.070 -15.492 4.252 1.00 0.00 N ATOM 0 H ARG A 23 7.714 -9.971 -0.539 1.00 0.00 H new ATOM 0 HA ARG A 23 8.061 -11.460 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.223 -12.606 -0.103 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.389 -11.319 0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.477 -12.014 2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.541 -13.427 2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.414 -13.722 0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.365 -12.691 1.346 1.00 0.00 H new ATOM 0 HE ARG A 23 11.935 -15.486 1.797 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.886 -12.411 3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.040 -13.153 5.067 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.093 -16.417 3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.157 -15.398 5.264 1.00 0.00 H new ATOM 352 N GLU A 24 10.090 -9.495 2.303 1.00 0.00 N ATOM 353 CA GLU A 24 10.647 -8.140 2.594 1.00 0.00 C ATOM 354 C GLU A 24 11.222 -7.591 1.284 1.00 0.00 C ATOM 355 O GLU A 24 12.172 -8.137 0.757 1.00 0.00 O ATOM 356 CB GLU A 24 11.753 -8.234 3.657 1.00 0.00 C ATOM 357 CG GLU A 24 12.847 -9.214 3.209 1.00 0.00 C ATOM 358 CD GLU A 24 13.676 -9.655 4.416 1.00 0.00 C ATOM 359 OE1 GLU A 24 13.874 -8.838 5.300 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.101 -10.800 4.435 1.00 0.00 O ATOM 0 H GLU A 24 10.561 -10.275 2.761 1.00 0.00 H new ATOM 0 HA GLU A 24 9.868 -7.482 2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.187 -7.249 3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.328 -8.563 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.395 -10.083 2.730 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.491 -8.740 2.468 1.00 0.00 H new ATOM 367 N CYS A 25 10.655 -6.543 0.719 1.00 0.00 N ATOM 368 CA CYS A 25 11.196 -6.019 -0.586 1.00 0.00 C ATOM 369 C CYS A 25 11.389 -4.494 -0.545 1.00 0.00 C ATOM 370 O CYS A 25 10.748 -3.795 0.215 1.00 0.00 O ATOM 371 CB CYS A 25 10.211 -6.383 -1.695 1.00 0.00 C ATOM 372 SG CYS A 25 10.050 -8.184 -1.795 1.00 0.00 S ATOM 0 H CYS A 25 9.855 -6.035 1.097 1.00 0.00 H new ATOM 0 HA CYS A 25 12.171 -6.469 -0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.239 -5.931 -1.495 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.558 -5.985 -2.649 1.00 0.00 H new ATOM 0 HG CYS A 25 8.841 -8.492 -2.161 1.00 0.00 H new ATOM 378 N GLU A 26 12.263 -3.977 -1.391 1.00 0.00 N ATOM 379 CA GLU A 26 12.496 -2.497 -1.444 1.00 0.00 C ATOM 380 C GLU A 26 11.346 -1.849 -2.223 1.00 0.00 C ATOM 381 O GLU A 26 10.860 -2.416 -3.185 1.00 0.00 O ATOM 382 CB GLU A 26 13.827 -2.190 -2.144 1.00 0.00 C ATOM 383 CG GLU A 26 14.982 -2.781 -1.330 1.00 0.00 C ATOM 384 CD GLU A 26 16.312 -2.456 -2.014 1.00 0.00 C ATOM 385 OE1 GLU A 26 16.280 -1.883 -3.089 1.00 0.00 O ATOM 386 OE2 GLU A 26 17.343 -2.789 -1.451 1.00 0.00 O ATOM 0 H GLU A 26 12.823 -4.523 -2.046 1.00 0.00 H new ATOM 0 HA GLU A 26 12.538 -2.099 -0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.826 -2.609 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.955 -1.113 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.973 -2.374 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 26 14.862 -3.861 -1.241 1.00 0.00 H new ATOM 393 N ILE A 27 10.876 -0.687 -1.809 1.00 0.00 N ATOM 394 CA ILE A 27 9.723 -0.053 -2.535 1.00 0.00 C ATOM 395 C ILE A 27 9.937 1.454 -2.765 1.00 0.00 C ATOM 396 O ILE A 27 10.647 2.131 -2.025 1.00 0.00 O ATOM 397 CB ILE A 27 8.446 -0.282 -1.706 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.417 0.590 -0.432 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.414 -1.742 -1.271 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.053 0.456 0.272 1.00 0.00 C ATOM 0 H ILE A 27 11.235 -0.160 -1.013 1.00 0.00 H new ATOM 0 HA ILE A 27 9.636 -0.514 -3.519 1.00 0.00 H new ATOM 0 HB ILE A 27 7.590 -0.017 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.215 0.285 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 27 8.600 1.633 -0.692 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.516 -1.926 -0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.408 -2.384 -2.152 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.295 -1.961 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.044 1.075 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.262 0.783 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.887 -0.585 0.548 1.00 0.00 H new ATOM 412 N LYS A 28 9.288 1.989 -3.782 1.00 0.00 N ATOM 413 CA LYS A 28 9.395 3.445 -4.080 1.00 0.00 C ATOM 414 C LYS A 28 8.075 3.934 -4.704 1.00 0.00 C ATOM 415 O LYS A 28 7.508 3.297 -5.571 1.00 0.00 O ATOM 416 CB LYS A 28 10.563 3.695 -5.043 1.00 0.00 C ATOM 417 CG LYS A 28 10.318 2.963 -6.364 1.00 0.00 C ATOM 418 CD LYS A 28 11.585 3.033 -7.225 1.00 0.00 C ATOM 419 CE LYS A 28 11.377 2.260 -8.530 1.00 0.00 C ATOM 420 NZ LYS A 28 12.451 2.633 -9.494 1.00 0.00 N ATOM 0 H LYS A 28 8.686 1.466 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 28 9.581 3.995 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.673 4.764 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.495 3.351 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.051 1.924 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.479 3.415 -6.893 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.828 4.073 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.430 2.616 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.399 1.187 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.398 2.489 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.316 2.111 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.409 3.655 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.379 2.393 -9.090 1.00 0.00 H new ATOM 434 N TYR A 29 7.588 5.056 -4.242 1.00 0.00 N ATOM 435 CA TYR A 29 6.298 5.624 -4.752 1.00 0.00 C ATOM 436 C TYR A 29 6.436 6.108 -6.203 1.00 0.00 C ATOM 437 O TYR A 29 7.494 6.517 -6.634 1.00 0.00 O ATOM 438 CB TYR A 29 5.895 6.791 -3.843 1.00 0.00 C ATOM 439 CG TYR A 29 4.533 7.308 -4.232 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.416 8.327 -5.183 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.387 6.770 -3.634 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.153 8.807 -5.539 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.123 7.250 -3.989 1.00 0.00 C ATOM 444 CZ TYR A 29 2.004 8.269 -4.942 1.00 0.00 C ATOM 445 OH TYR A 29 0.758 8.742 -5.296 1.00 0.00 O ATOM 0 H TYR A 29 8.037 5.616 -3.518 1.00 0.00 H new ATOM 0 HA TYR A 29 5.533 4.848 -4.739 1.00 0.00 H new ATOM 0 HB2 TYR A 29 5.885 6.465 -2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 29 6.631 7.591 -3.919 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.301 8.742 -5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.480 5.984 -2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.062 9.593 -6.274 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.239 6.835 -3.528 1.00 0.00 H new ATOM 0 HH TYR A 29 0.070 8.262 -4.790 1.00 0.00 H new ATOM 455 N THR A 30 5.363 6.057 -6.958 1.00 0.00 N ATOM 456 CA THR A 30 5.417 6.505 -8.381 1.00 0.00 C ATOM 457 C THR A 30 5.205 8.017 -8.450 1.00 0.00 C ATOM 458 O THR A 30 4.191 8.526 -8.023 1.00 0.00 O ATOM 459 CB THR A 30 4.309 5.815 -9.176 1.00 0.00 C ATOM 460 OG1 THR A 30 3.115 5.841 -8.417 1.00 0.00 O ATOM 461 CG2 THR A 30 4.703 4.365 -9.468 1.00 0.00 C ATOM 0 H THR A 30 4.451 5.723 -6.646 1.00 0.00 H new ATOM 0 HA THR A 30 6.390 6.248 -8.800 1.00 0.00 H new ATOM 0 HB THR A 30 4.158 6.336 -10.121 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.103 5.079 -7.800 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.909 3.879 -10.035 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.625 4.348 -10.048 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.856 3.833 -8.529 1.00 0.00 H new ATOM 469 N GLY A 31 6.141 8.739 -8.998 1.00 0.00 N ATOM 470 CA GLY A 31 5.967 10.213 -9.092 1.00 0.00 C ATOM 471 C GLY A 31 7.068 10.808 -9.967 1.00 0.00 C ATOM 472 O GLY A 31 7.949 10.116 -10.433 1.00 0.00 O ATOM 0 H GLY A 31 7.013 8.375 -9.382 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.989 10.447 -9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.001 10.657 -8.097 1.00 0.00 H new ATOM 476 N PHE A 32 7.020 12.092 -10.191 1.00 0.00 N ATOM 477 CA PHE A 32 8.060 12.746 -11.034 1.00 0.00 C ATOM 478 C PHE A 32 9.289 13.065 -10.170 1.00 0.00 C ATOM 479 O PHE A 32 9.679 14.205 -10.004 1.00 0.00 O ATOM 480 CB PHE A 32 7.474 14.021 -11.639 1.00 0.00 C ATOM 481 CG PHE A 32 6.157 13.695 -12.316 1.00 0.00 C ATOM 482 CD1 PHE A 32 6.137 12.881 -13.459 1.00 0.00 C ATOM 483 CD2 PHE A 32 4.954 14.211 -11.808 1.00 0.00 C ATOM 484 CE1 PHE A 32 4.922 12.586 -14.088 1.00 0.00 C ATOM 485 CE2 PHE A 32 3.739 13.915 -12.442 1.00 0.00 C ATOM 486 CZ PHE A 32 3.724 13.104 -13.581 1.00 0.00 C ATOM 0 H PHE A 32 6.303 12.718 -9.825 1.00 0.00 H new ATOM 0 HA PHE A 32 8.370 12.082 -11.841 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.321 14.769 -10.861 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.171 14.449 -12.360 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.060 12.482 -13.854 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.965 14.837 -10.928 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.908 11.958 -14.966 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.815 14.313 -12.051 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.788 12.877 -14.070 1.00 0.00 H new ATOM 496 N ARG A 33 9.894 12.038 -9.622 1.00 0.00 N ATOM 497 CA ARG A 33 11.105 12.199 -8.755 1.00 0.00 C ATOM 498 C ARG A 33 12.142 13.084 -9.464 1.00 0.00 C ATOM 499 O ARG A 33 13.155 13.448 -8.895 1.00 0.00 O ATOM 500 CB ARG A 33 11.694 10.803 -8.482 1.00 0.00 C ATOM 501 CG ARG A 33 12.750 10.854 -7.366 1.00 0.00 C ATOM 502 CD ARG A 33 13.301 9.439 -7.121 1.00 0.00 C ATOM 503 NE ARG A 33 14.350 9.478 -6.058 1.00 0.00 N ATOM 504 CZ ARG A 33 14.748 8.371 -5.487 1.00 0.00 C ATOM 505 NH1 ARG A 33 14.216 7.229 -5.830 1.00 0.00 N ATOM 506 NH2 ARG A 33 15.687 8.400 -4.577 1.00 0.00 N ATOM 0 H ARG A 33 9.591 11.071 -9.743 1.00 0.00 H new ATOM 0 HA ARG A 33 10.833 12.677 -7.814 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.895 10.117 -8.199 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.144 10.410 -9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.559 11.528 -7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.309 11.248 -6.450 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.493 8.771 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.721 9.038 -8.044 1.00 0.00 H new ATOM 0 HE ARG A 33 14.757 10.370 -5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.489 7.199 -6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.528 6.367 -5.383 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.112 9.288 -4.310 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.995 7.534 -4.134 1.00 0.00 H new ATOM 520 N ASP A 34 11.909 13.424 -10.706 1.00 0.00 N ATOM 521 CA ASP A 34 12.891 14.269 -11.447 1.00 0.00 C ATOM 522 C ASP A 34 12.806 15.709 -10.948 1.00 0.00 C ATOM 523 O ASP A 34 13.636 16.536 -11.267 1.00 0.00 O ATOM 524 CB ASP A 34 12.568 14.236 -12.946 1.00 0.00 C ATOM 525 CG ASP A 34 13.744 14.822 -13.732 1.00 0.00 C ATOM 526 OD1 ASP A 34 14.678 15.292 -13.102 1.00 0.00 O ATOM 527 OD2 ASP A 34 13.692 14.785 -14.951 1.00 0.00 O ATOM 0 H ASP A 34 11.082 13.153 -11.238 1.00 0.00 H new ATOM 0 HA ASP A 34 13.896 13.882 -11.280 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.377 13.212 -13.266 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.661 14.807 -13.147 1.00 0.00 H new ATOM 532 N ARG A 35 11.821 16.011 -10.154 1.00 0.00 N ATOM 533 CA ARG A 35 11.690 17.395 -9.616 1.00 0.00 C ATOM 534 C ARG A 35 12.618 17.554 -8.403 1.00 0.00 C ATOM 535 O ARG A 35 12.890 16.597 -7.709 1.00 0.00 O ATOM 536 CB ARG A 35 10.228 17.624 -9.196 1.00 0.00 C ATOM 537 CG ARG A 35 9.429 18.235 -10.349 1.00 0.00 C ATOM 538 CD ARG A 35 9.429 17.287 -11.555 1.00 0.00 C ATOM 539 NE ARG A 35 8.726 17.931 -12.711 1.00 0.00 N ATOM 540 CZ ARG A 35 7.525 18.441 -12.597 1.00 0.00 C ATOM 541 NH1 ARG A 35 6.771 18.177 -11.561 1.00 0.00 N ATOM 542 NH2 ARG A 35 7.045 19.160 -13.573 1.00 0.00 N ATOM 0 H ARG A 35 11.097 15.359 -9.852 1.00 0.00 H new ATOM 0 HA ARG A 35 11.969 18.126 -10.375 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.778 16.678 -8.895 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.191 18.285 -8.330 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.405 18.428 -10.029 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.861 19.195 -10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.453 17.039 -11.834 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.935 16.352 -11.293 1.00 0.00 H new ATOM 0 HE ARG A 35 9.197 17.974 -13.615 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.116 17.564 -10.823 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.839 18.585 -11.492 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.603 19.319 -14.412 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.111 19.563 -13.498 1.00 0.00 H new ATOM 556 N PRO A 36 13.099 18.753 -8.142 1.00 0.00 N ATOM 557 CA PRO A 36 13.991 19.013 -6.975 1.00 0.00 C ATOM 558 C PRO A 36 13.491 18.318 -5.701 1.00 0.00 C ATOM 559 O PRO A 36 12.475 17.651 -5.698 1.00 0.00 O ATOM 560 CB PRO A 36 13.930 20.538 -6.807 1.00 0.00 C ATOM 561 CG PRO A 36 13.648 21.076 -8.176 1.00 0.00 C ATOM 562 CD PRO A 36 12.862 19.988 -8.927 1.00 0.00 C ATOM 0 HA PRO A 36 14.998 18.630 -7.139 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.149 20.825 -6.103 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.870 20.929 -6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.071 21.999 -8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.576 21.312 -8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.800 20.229 -8.978 1.00 0.00 H new ATOM 0 HD3 PRO A 36 13.214 19.880 -9.953 1.00 0.00 H new ATOM 570 N HIS A 37 14.187 18.490 -4.613 1.00 0.00 N ATOM 571 CA HIS A 37 13.746 17.852 -3.341 1.00 0.00 C ATOM 572 C HIS A 37 12.355 18.363 -2.980 1.00 0.00 C ATOM 573 O HIS A 37 11.687 17.807 -2.152 1.00 0.00 O ATOM 574 CB HIS A 37 14.728 18.200 -2.220 1.00 0.00 C ATOM 575 CG HIS A 37 14.891 19.690 -2.128 1.00 0.00 C ATOM 576 ND1 HIS A 37 14.025 20.483 -1.395 1.00 0.00 N ATOM 577 CD2 HIS A 37 15.829 20.543 -2.648 1.00 0.00 C ATOM 578 CE1 HIS A 37 14.457 21.754 -1.492 1.00 0.00 C ATOM 579 NE2 HIS A 37 15.555 21.847 -2.246 1.00 0.00 N ATOM 0 H HIS A 37 15.041 19.044 -4.549 1.00 0.00 H new ATOM 0 HA HIS A 37 13.718 16.770 -3.467 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.365 17.806 -1.271 1.00 0.00 H new ATOM 0 HB3 HIS A 37 15.693 17.731 -2.411 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.657 20.248 -3.276 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.974 22.596 -1.018 1.00 0.00 H new ATOM 0 HE2 HIS A 37 16.079 22.691 -2.477 1.00 0.00 H new ATOM 587 N GLU A 38 11.911 19.413 -3.599 1.00 0.00 N ATOM 588 CA GLU A 38 10.551 19.943 -3.283 1.00 0.00 C ATOM 589 C GLU A 38 9.503 18.882 -3.596 1.00 0.00 C ATOM 590 O GLU A 38 8.370 18.963 -3.166 1.00 0.00 O ATOM 591 CB GLU A 38 10.283 21.204 -4.116 1.00 0.00 C ATOM 592 CG GLU A 38 10.094 20.837 -5.595 1.00 0.00 C ATOM 593 CD GLU A 38 10.075 22.114 -6.439 1.00 0.00 C ATOM 594 OE1 GLU A 38 11.145 22.589 -6.788 1.00 0.00 O ATOM 595 OE2 GLU A 38 8.991 22.593 -6.724 1.00 0.00 O ATOM 0 H GLU A 38 12.426 19.932 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 38 10.498 20.196 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.393 21.711 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.115 21.901 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.901 20.183 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.163 20.286 -5.728 1.00 0.00 H new ATOM 602 N GLU A 39 9.868 17.906 -4.368 1.00 0.00 N ATOM 603 CA GLU A 39 8.896 16.856 -4.751 1.00 0.00 C ATOM 604 C GLU A 39 8.552 15.983 -3.542 1.00 0.00 C ATOM 605 O GLU A 39 7.481 15.417 -3.473 1.00 0.00 O ATOM 606 CB GLU A 39 9.528 16.002 -5.853 1.00 0.00 C ATOM 607 CG GLU A 39 10.675 15.161 -5.278 1.00 0.00 C ATOM 608 CD GLU A 39 11.584 14.699 -6.420 1.00 0.00 C ATOM 609 OE1 GLU A 39 11.226 14.930 -7.564 1.00 0.00 O ATOM 610 OE2 GLU A 39 12.621 14.127 -6.133 1.00 0.00 O ATOM 0 H GLU A 39 10.805 17.790 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 39 7.974 17.314 -5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.775 15.350 -6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.902 16.643 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.246 15.747 -4.558 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.277 14.299 -4.743 1.00 0.00 H new ATOM 617 N ARG A 40 9.449 15.856 -2.596 1.00 0.00 N ATOM 618 CA ARG A 40 9.156 15.000 -1.407 1.00 0.00 C ATOM 619 C ARG A 40 7.964 15.542 -0.598 1.00 0.00 C ATOM 620 O ARG A 40 7.055 14.806 -0.269 1.00 0.00 O ATOM 621 CB ARG A 40 10.402 14.908 -0.506 1.00 0.00 C ATOM 622 CG ARG A 40 10.883 16.316 -0.047 1.00 0.00 C ATOM 623 CD ARG A 40 10.752 16.464 1.474 1.00 0.00 C ATOM 624 NE ARG A 40 11.239 17.810 1.907 1.00 0.00 N ATOM 625 CZ ARG A 40 10.980 18.223 3.119 1.00 0.00 C ATOM 626 NH1 ARG A 40 10.202 17.517 3.880 1.00 0.00 N ATOM 627 NH2 ARG A 40 11.469 19.352 3.560 1.00 0.00 N ATOM 0 H ARG A 40 10.365 16.305 -2.595 1.00 0.00 H new ATOM 0 HA ARG A 40 8.891 14.006 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.175 14.298 0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.205 14.406 -1.045 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.921 16.466 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.295 17.087 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 40 9.711 16.333 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 40 11.326 15.684 1.973 1.00 0.00 H new ATOM 0 HE ARG A 40 11.767 18.399 1.263 1.00 0.00 H new ATOM 0 HH11 ARG A 40 9.799 16.648 3.531 1.00 0.00 H new ATOM 0 HH12 ARG A 40 9.994 17.831 4.828 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.061 19.922 2.956 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.259 19.663 4.508 1.00 0.00 H new ATOM 641 N GLN A 41 7.944 16.809 -0.269 1.00 0.00 N ATOM 642 CA GLN A 41 6.792 17.338 0.521 1.00 0.00 C ATOM 643 C GLN A 41 5.559 17.455 -0.367 1.00 0.00 C ATOM 644 O GLN A 41 4.476 17.069 0.014 1.00 0.00 O ATOM 645 CB GLN A 41 7.166 18.710 1.095 1.00 0.00 C ATOM 646 CG GLN A 41 7.487 19.675 -0.051 1.00 0.00 C ATOM 647 CD GLN A 41 8.178 20.925 0.498 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.046 20.835 1.347 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.827 22.098 0.047 1.00 0.00 N ATOM 0 H GLN A 41 8.664 17.491 -0.509 1.00 0.00 H new ATOM 0 HA GLN A 41 6.564 16.654 1.338 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.344 19.101 1.694 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.027 18.616 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.130 19.185 -0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.570 19.954 -0.570 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.100 22.174 -0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.280 22.939 0.406 1.00 0.00 H new ATOM 658 N THR A 42 5.704 17.985 -1.546 1.00 0.00 N ATOM 659 CA THR A 42 4.523 18.119 -2.433 1.00 0.00 C ATOM 660 C THR A 42 3.937 16.735 -2.717 1.00 0.00 C ATOM 661 O THR A 42 2.741 16.567 -2.850 1.00 0.00 O ATOM 662 CB THR A 42 4.920 18.815 -3.738 1.00 0.00 C ATOM 663 OG1 THR A 42 5.481 20.089 -3.440 1.00 0.00 O ATOM 664 CG2 THR A 42 3.677 18.999 -4.611 1.00 0.00 C ATOM 0 H THR A 42 6.584 18.329 -1.931 1.00 0.00 H new ATOM 0 HA THR A 42 3.766 18.728 -1.938 1.00 0.00 H new ATOM 0 HB THR A 42 5.653 18.208 -4.269 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.447 19.997 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.956 19.494 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.242 18.025 -4.835 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.946 19.609 -4.080 1.00 0.00 H new ATOM 672 N ARG A 43 4.773 15.746 -2.826 1.00 0.00 N ATOM 673 CA ARG A 43 4.278 14.370 -3.108 1.00 0.00 C ATOM 674 C ARG A 43 3.324 13.901 -2.007 1.00 0.00 C ATOM 675 O ARG A 43 2.246 13.438 -2.276 1.00 0.00 O ATOM 676 CB ARG A 43 5.515 13.440 -3.200 1.00 0.00 C ATOM 677 CG ARG A 43 5.190 11.949 -2.924 1.00 0.00 C ATOM 678 CD ARG A 43 4.208 11.372 -3.961 1.00 0.00 C ATOM 679 NE ARG A 43 3.305 10.385 -3.288 1.00 0.00 N ATOM 680 CZ ARG A 43 3.774 9.471 -2.474 1.00 0.00 C ATOM 681 NH1 ARG A 43 5.054 9.225 -2.415 1.00 0.00 N ATOM 682 NH2 ARG A 43 2.947 8.754 -1.759 1.00 0.00 N ATOM 0 H ARG A 43 5.785 15.830 -2.732 1.00 0.00 H new ATOM 0 HA ARG A 43 3.719 14.351 -4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.954 13.530 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.267 13.778 -2.487 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.112 11.368 -2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.763 11.849 -1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.621 12.174 -4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.757 10.889 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 43 2.302 10.425 -3.467 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.701 9.746 -3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.407 8.511 -1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.941 8.907 -1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.307 8.042 -1.124 1.00 0.00 H new ATOM 696 N PHE A 44 3.711 13.981 -0.777 1.00 0.00 N ATOM 697 CA PHE A 44 2.805 13.499 0.299 1.00 0.00 C ATOM 698 C PHE A 44 1.473 14.249 0.313 1.00 0.00 C ATOM 699 O PHE A 44 0.419 13.649 0.401 1.00 0.00 O ATOM 700 CB PHE A 44 3.479 13.686 1.650 1.00 0.00 C ATOM 701 CG PHE A 44 4.684 12.782 1.730 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.519 11.395 1.716 1.00 0.00 C ATOM 703 CD2 PHE A 44 5.967 13.334 1.796 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.640 10.558 1.773 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.084 12.500 1.848 1.00 0.00 C ATOM 706 CZ PHE A 44 6.922 11.110 1.838 1.00 0.00 C ATOM 0 H PHE A 44 4.607 14.355 -0.465 1.00 0.00 H new ATOM 0 HA PHE A 44 2.602 12.446 0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.780 14.726 1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.781 13.454 2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.528 10.969 1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.093 14.407 1.807 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.514 9.485 1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.075 12.927 1.896 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.787 10.465 1.880 1.00 0.00 H new ATOM 716 N GLN A 45 1.499 15.551 0.267 1.00 0.00 N ATOM 717 CA GLN A 45 0.211 16.301 0.323 1.00 0.00 C ATOM 718 C GLN A 45 -0.610 16.075 -0.947 1.00 0.00 C ATOM 719 O GLN A 45 -1.732 15.627 -0.888 1.00 0.00 O ATOM 720 CB GLN A 45 0.488 17.803 0.534 1.00 0.00 C ATOM 721 CG GLN A 45 1.580 18.315 -0.438 1.00 0.00 C ATOM 722 CD GLN A 45 2.537 19.277 0.280 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.554 20.460 0.000 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.346 18.803 1.193 1.00 0.00 N ATOM 0 H GLN A 45 2.341 16.122 0.194 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.372 15.928 1.165 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.431 18.369 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.804 17.976 1.563 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.140 17.471 -0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.113 18.821 -1.283 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.328 17.810 1.424 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.995 19.427 1.673 1.00 0.00 H new ATOM 733 N ASN A 46 -0.066 16.372 -2.094 1.00 0.00 N ATOM 734 CA ASN A 46 -0.834 16.165 -3.363 1.00 0.00 C ATOM 735 C ASN A 46 -1.200 14.686 -3.529 1.00 0.00 C ATOM 736 O ASN A 46 -2.216 14.345 -4.108 1.00 0.00 O ATOM 737 CB ASN A 46 0.001 16.632 -4.560 1.00 0.00 C ATOM 738 CG ASN A 46 1.170 15.677 -4.791 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.505 14.897 -3.933 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.801 15.706 -5.933 1.00 0.00 N ATOM 0 H ASN A 46 0.875 16.748 -2.212 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.752 16.750 -3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.623 16.677 -5.453 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.375 17.640 -4.381 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.579 15.069 -6.102 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.516 16.366 -6.657 1.00 0.00 H new ATOM 747 N ALA A 47 -0.388 13.794 -3.028 1.00 0.00 N ATOM 748 CA ALA A 47 -0.709 12.351 -3.187 1.00 0.00 C ATOM 749 C ALA A 47 -1.721 11.949 -2.121 1.00 0.00 C ATOM 750 O ALA A 47 -2.564 11.100 -2.339 1.00 0.00 O ATOM 751 CB ALA A 47 0.557 11.518 -3.021 1.00 0.00 C ATOM 0 H ALA A 47 0.473 14.001 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.124 12.177 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.315 10.462 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.286 11.810 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.976 11.686 -2.029 1.00 0.00 H new ATOM 757 N CYS A 48 -1.649 12.557 -0.975 1.00 0.00 N ATOM 758 CA CYS A 48 -2.612 12.217 0.096 1.00 0.00 C ATOM 759 C CYS A 48 -4.036 12.619 -0.306 1.00 0.00 C ATOM 760 O CYS A 48 -4.977 11.901 -0.033 1.00 0.00 O ATOM 761 CB CYS A 48 -2.223 12.909 1.386 1.00 0.00 C ATOM 762 SG CYS A 48 -3.469 12.521 2.628 1.00 0.00 S ATOM 0 H CYS A 48 -0.964 13.274 -0.736 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.588 11.138 0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.240 12.574 1.716 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.159 13.987 1.235 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.981 12.736 3.814 1.00 0.00 H new ATOM 768 N ARG A 49 -4.231 13.753 -0.938 1.00 0.00 N ATOM 769 CA ARG A 49 -5.628 14.115 -1.318 1.00 0.00 C ATOM 770 C ARG A 49 -6.154 13.007 -2.234 1.00 0.00 C ATOM 771 O ARG A 49 -7.234 12.491 -2.035 1.00 0.00 O ATOM 772 CB ARG A 49 -5.660 15.478 -2.013 1.00 0.00 C ATOM 773 CG ARG A 49 -4.453 15.608 -2.927 1.00 0.00 C ATOM 774 CD ARG A 49 -4.616 16.848 -3.803 1.00 0.00 C ATOM 775 NE ARG A 49 -4.596 18.057 -2.944 1.00 0.00 N ATOM 776 CZ ARG A 49 -4.405 19.229 -3.476 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.194 19.337 -4.759 1.00 0.00 N ATOM 778 NH2 ARG A 49 -4.423 20.289 -2.718 1.00 0.00 N ATOM 0 H ARG A 49 -3.507 14.422 -1.199 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.261 14.199 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.579 15.583 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.656 16.277 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.541 15.684 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.356 14.719 -3.550 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.813 16.896 -4.539 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.553 16.796 -4.357 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.732 17.970 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.179 18.503 -5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.044 20.256 -5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.586 20.196 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.274 21.211 -3.127 1.00 0.00 H new ATOM 792 N ASP A 50 -5.352 12.572 -3.172 1.00 0.00 N ATOM 793 CA ASP A 50 -5.750 11.415 -4.029 1.00 0.00 C ATOM 794 C ASP A 50 -5.049 10.209 -3.408 1.00 0.00 C ATOM 795 O ASP A 50 -3.967 9.825 -3.805 1.00 0.00 O ATOM 796 CB ASP A 50 -5.286 11.613 -5.476 1.00 0.00 C ATOM 797 CG ASP A 50 -3.870 12.166 -5.481 1.00 0.00 C ATOM 798 OD1 ASP A 50 -3.331 12.326 -4.409 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.348 12.420 -6.554 1.00 0.00 O ATOM 0 H ASP A 50 -4.436 12.969 -3.382 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.833 11.295 -4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.320 10.665 -6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.957 12.298 -5.994 1.00 0.00 H new ATOM 804 N GLY A 51 -5.651 9.647 -2.400 1.00 0.00 N ATOM 805 CA GLY A 51 -5.036 8.496 -1.679 1.00 0.00 C ATOM 806 C GLY A 51 -4.950 7.274 -2.586 1.00 0.00 C ATOM 807 O GLY A 51 -4.842 6.151 -2.126 1.00 0.00 O ATOM 0 H GLY A 51 -6.558 9.940 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.039 8.769 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.627 8.257 -0.794 1.00 0.00 H new ATOM 811 N ARG A 52 -4.950 7.479 -3.875 1.00 0.00 N ATOM 812 CA ARG A 52 -4.813 6.326 -4.805 1.00 0.00 C ATOM 813 C ARG A 52 -3.323 6.177 -5.081 1.00 0.00 C ATOM 814 O ARG A 52 -2.792 6.698 -6.040 1.00 0.00 O ATOM 815 CB ARG A 52 -5.553 6.625 -6.112 1.00 0.00 C ATOM 816 CG ARG A 52 -7.036 6.864 -5.829 1.00 0.00 C ATOM 817 CD ARG A 52 -7.812 6.926 -7.146 1.00 0.00 C ATOM 818 NE ARG A 52 -7.248 7.994 -8.016 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.573 8.041 -9.281 1.00 0.00 C ATOM 820 NH1 ARG A 52 -8.416 7.171 -9.763 1.00 0.00 N ATOM 821 NH2 ARG A 52 -7.068 8.961 -10.058 1.00 0.00 N ATOM 0 H ARG A 52 -5.039 8.392 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.234 5.416 -4.378 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.120 7.502 -6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.436 5.792 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.429 6.064 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.165 7.795 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.759 5.964 -7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.866 7.124 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.610 8.687 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.818 6.459 -9.154 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.673 7.203 -10.749 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.416 9.648 -9.678 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.325 8.993 -11.045 1.00 0.00 H new ATOM 835 N SER A 53 -2.647 5.497 -4.210 1.00 0.00 N ATOM 836 CA SER A 53 -1.180 5.322 -4.353 1.00 0.00 C ATOM 837 C SER A 53 -0.836 4.238 -5.359 1.00 0.00 C ATOM 838 O SER A 53 -1.434 3.178 -5.369 1.00 0.00 O ATOM 839 CB SER A 53 -0.590 4.920 -3.003 1.00 0.00 C ATOM 840 OG SER A 53 0.761 4.525 -3.188 1.00 0.00 O ATOM 0 H SER A 53 -3.054 5.046 -3.390 1.00 0.00 H new ATOM 0 HA SER A 53 -0.767 6.268 -4.703 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.646 5.755 -2.304 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.165 4.102 -2.569 1.00 0.00 H new ATOM 0 HG SER A 53 1.300 5.306 -3.431 1.00 0.00 H new ATOM 846 N GLU A 54 0.187 4.465 -6.145 1.00 0.00 N ATOM 847 CA GLU A 54 0.668 3.420 -7.088 1.00 0.00 C ATOM 848 C GLU A 54 2.122 3.191 -6.701 1.00 0.00 C ATOM 849 O GLU A 54 2.852 4.135 -6.477 1.00 0.00 O ATOM 850 CB GLU A 54 0.562 3.893 -8.542 1.00 0.00 C ATOM 851 CG GLU A 54 -0.906 4.094 -8.912 1.00 0.00 C ATOM 852 CD GLU A 54 -1.002 4.561 -10.364 1.00 0.00 C ATOM 853 OE1 GLU A 54 -0.746 3.755 -11.243 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.319 5.719 -10.574 1.00 0.00 O ATOM 0 H GLU A 54 0.711 5.339 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 54 0.072 2.509 -7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.111 4.826 -8.672 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.018 3.160 -9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.457 3.163 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.362 4.830 -8.250 1.00 0.00 H new ATOM 861 N ILE A 55 2.551 1.968 -6.562 1.00 0.00 N ATOM 862 CA ILE A 55 3.960 1.730 -6.120 1.00 0.00 C ATOM 863 C ILE A 55 4.511 0.460 -6.734 1.00 0.00 C ATOM 864 O ILE A 55 3.776 -0.389 -7.206 1.00 0.00 O ATOM 865 CB ILE A 55 3.971 1.626 -4.600 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.355 1.192 -4.094 1.00 0.00 C ATOM 867 CG2 ILE A 55 2.920 0.618 -4.141 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.493 1.465 -2.581 1.00 0.00 C ATOM 0 H ILE A 55 1.997 1.129 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 55 4.591 2.556 -6.448 1.00 0.00 H new ATOM 0 HB ILE A 55 3.740 2.608 -4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.504 0.131 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.132 1.730 -4.638 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.933 0.548 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.934 0.944 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.142 -0.359 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.480 1.150 -2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.367 2.531 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.729 0.907 -2.039 1.00 0.00 H new ATOM 880 N ALA A 56 5.814 0.331 -6.740 1.00 0.00 N ATOM 881 CA ALA A 56 6.428 -0.890 -7.345 1.00 0.00 C ATOM 882 C ALA A 56 7.650 -1.360 -6.555 1.00 0.00 C ATOM 883 O ALA A 56 8.285 -0.607 -5.838 1.00 0.00 O ATOM 884 CB ALA A 56 6.838 -0.575 -8.783 1.00 0.00 C ATOM 0 H ALA A 56 6.472 1.009 -6.357 1.00 0.00 H new ATOM 0 HA ALA A 56 5.691 -1.693 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.288 -1.459 -9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.958 -0.282 -9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.561 0.241 -8.785 1.00 0.00 H new ATOM 890 N PHE A 57 7.978 -2.621 -6.705 1.00 0.00 N ATOM 891 CA PHE A 57 9.158 -3.194 -5.995 1.00 0.00 C ATOM 892 C PHE A 57 10.402 -3.007 -6.870 1.00 0.00 C ATOM 893 O PHE A 57 10.393 -3.311 -8.044 1.00 0.00 O ATOM 894 CB PHE A 57 8.936 -4.692 -5.758 1.00 0.00 C ATOM 895 CG PHE A 57 7.785 -4.908 -4.801 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.971 -4.684 -3.437 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.544 -5.346 -5.276 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.916 -4.894 -2.536 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.491 -5.558 -4.381 1.00 0.00 C ATOM 900 CZ PHE A 57 5.675 -5.331 -3.011 1.00 0.00 C ATOM 0 H PHE A 57 7.472 -3.281 -7.295 1.00 0.00 H new ATOM 0 HA PHE A 57 9.291 -2.689 -5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 57 8.728 -5.190 -6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 57 9.843 -5.141 -5.354 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.931 -4.348 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.400 -5.520 -6.332 1.00 0.00 H new ATOM 0 HE1 PHE A 57 7.062 -4.719 -1.480 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.533 -5.898 -4.747 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.859 -5.493 -2.322 1.00 0.00 H new ATOM 910 N VAL A 58 11.464 -2.490 -6.328 1.00 0.00 N ATOM 911 CA VAL A 58 12.692 -2.294 -7.147 1.00 0.00 C ATOM 912 C VAL A 58 13.182 -3.633 -7.707 1.00 0.00 C ATOM 913 O VAL A 58 13.649 -3.722 -8.822 1.00 0.00 O ATOM 914 CB VAL A 58 13.789 -1.664 -6.298 1.00 0.00 C ATOM 915 CG1 VAL A 58 15.045 -1.461 -7.150 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.306 -0.316 -5.769 1.00 0.00 C ATOM 0 H VAL A 58 11.537 -2.194 -5.355 1.00 0.00 H new ATOM 0 HA VAL A 58 12.451 -1.631 -7.978 1.00 0.00 H new ATOM 0 HB VAL A 58 14.025 -2.321 -5.461 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.829 -1.010 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.388 -2.424 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.814 -0.804 -7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.089 0.138 -5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.071 0.341 -6.607 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.413 -0.462 -5.161 1.00 0.00 H new ATOM 926 N ALA A 59 13.133 -4.666 -6.911 1.00 0.00 N ATOM 927 CA ALA A 59 13.642 -5.995 -7.372 1.00 0.00 C ATOM 928 C ALA A 59 12.906 -6.486 -8.625 1.00 0.00 C ATOM 929 O ALA A 59 13.514 -7.032 -9.523 1.00 0.00 O ATOM 930 CB ALA A 59 13.446 -7.017 -6.252 1.00 0.00 C ATOM 0 H ALA A 59 12.763 -4.650 -5.961 1.00 0.00 H new ATOM 0 HA ALA A 59 14.697 -5.884 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 59 13.814 -7.990 -6.578 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.998 -6.698 -5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.386 -7.093 -6.010 1.00 0.00 H new ATOM 936 N THR A 60 11.611 -6.313 -8.692 1.00 0.00 N ATOM 937 CA THR A 60 10.835 -6.792 -9.886 1.00 0.00 C ATOM 938 C THR A 60 9.967 -5.665 -10.432 1.00 0.00 C ATOM 939 O THR A 60 9.617 -4.735 -9.734 1.00 0.00 O ATOM 940 CB THR A 60 9.924 -7.957 -9.481 1.00 0.00 C ATOM 941 OG1 THR A 60 10.687 -8.941 -8.801 1.00 0.00 O ATOM 942 CG2 THR A 60 9.272 -8.583 -10.724 1.00 0.00 C ATOM 0 H THR A 60 11.051 -5.859 -7.970 1.00 0.00 H new ATOM 0 HA THR A 60 11.541 -7.118 -10.650 1.00 0.00 H new ATOM 0 HB THR A 60 9.141 -7.579 -8.824 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.510 -9.821 -9.194 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.628 -9.409 -10.420 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.677 -7.830 -11.241 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.048 -8.955 -11.393 1.00 0.00 H new ATOM 950 N GLY A 61 9.610 -5.746 -11.682 1.00 0.00 N ATOM 951 CA GLY A 61 8.750 -4.691 -12.281 1.00 0.00 C ATOM 952 C GLY A 61 7.307 -4.892 -11.808 1.00 0.00 C ATOM 953 O GLY A 61 6.378 -4.332 -12.357 1.00 0.00 O ATOM 0 H GLY A 61 9.878 -6.499 -12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.107 -3.704 -11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.799 -4.739 -13.369 1.00 0.00 H new ATOM 957 N THR A 62 7.114 -5.684 -10.786 1.00 0.00 N ATOM 958 CA THR A 62 5.734 -5.905 -10.277 1.00 0.00 C ATOM 959 C THR A 62 5.227 -4.576 -9.720 1.00 0.00 C ATOM 960 O THR A 62 5.953 -3.865 -9.055 1.00 0.00 O ATOM 961 CB THR A 62 5.763 -6.956 -9.159 1.00 0.00 C ATOM 962 OG1 THR A 62 6.176 -8.207 -9.692 1.00 0.00 O ATOM 963 CG2 THR A 62 4.373 -7.097 -8.533 1.00 0.00 C ATOM 0 H THR A 62 7.849 -6.184 -10.286 1.00 0.00 H new ATOM 0 HA THR A 62 5.081 -6.259 -11.075 1.00 0.00 H new ATOM 0 HB THR A 62 6.467 -6.638 -8.390 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.779 -8.649 -9.059 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.405 -7.845 -7.741 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.063 -6.139 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.660 -7.407 -9.297 1.00 0.00 H new ATOM 971 N ASN A 63 3.994 -4.220 -9.997 1.00 0.00 N ATOM 972 CA ASN A 63 3.446 -2.917 -9.494 1.00 0.00 C ATOM 973 C ASN A 63 2.086 -3.153 -8.843 1.00 0.00 C ATOM 974 O ASN A 63 1.200 -3.730 -9.437 1.00 0.00 O ATOM 975 CB ASN A 63 3.275 -1.952 -10.673 1.00 0.00 C ATOM 976 CG ASN A 63 2.975 -0.539 -10.154 1.00 0.00 C ATOM 977 OD1 ASN A 63 3.824 0.326 -10.194 1.00 0.00 O ATOM 978 ND2 ASN A 63 1.796 -0.268 -9.663 1.00 0.00 N ATOM 0 H ASN A 63 3.342 -4.776 -10.550 1.00 0.00 H new ATOM 0 HA ASN A 63 4.134 -2.492 -8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 63 4.181 -1.941 -11.279 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.464 -2.292 -11.317 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.592 0.669 -9.315 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.079 -0.993 -9.628 1.00 0.00 H new ATOM 985 N LEU A 64 1.914 -2.699 -7.626 1.00 0.00 N ATOM 986 CA LEU A 64 0.606 -2.878 -6.918 1.00 0.00 C ATOM 987 C LEU A 64 0.010 -1.490 -6.621 1.00 0.00 C ATOM 988 O LEU A 64 0.706 -0.592 -6.183 1.00 0.00 O ATOM 989 CB LEU A 64 0.855 -3.617 -5.592 1.00 0.00 C ATOM 990 CG LEU A 64 1.485 -4.996 -5.857 1.00 0.00 C ATOM 991 CD1 LEU A 64 1.736 -5.701 -4.519 1.00 0.00 C ATOM 992 CD2 LEU A 64 0.538 -5.853 -6.713 1.00 0.00 C ATOM 0 H LEU A 64 2.628 -2.208 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.083 -3.453 -7.537 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.514 -3.025 -4.957 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.085 -3.737 -5.053 1.00 0.00 H new ATOM 0 HG LEU A 64 2.426 -4.864 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.182 -6.679 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.414 -5.100 -3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.791 -5.826 -3.991 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.993 -6.827 -6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.407 -5.987 -6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.356 -5.354 -7.665 1.00 0.00 H new ATOM 1004 N SER A 65 -1.276 -1.310 -6.843 1.00 0.00 N ATOM 1005 CA SER A 65 -1.935 0.016 -6.562 1.00 0.00 C ATOM 1006 C SER A 65 -3.021 -0.182 -5.508 1.00 0.00 C ATOM 1007 O SER A 65 -3.739 -1.162 -5.528 1.00 0.00 O ATOM 1008 CB SER A 65 -2.586 0.569 -7.831 1.00 0.00 C ATOM 1009 OG SER A 65 -3.193 1.821 -7.533 1.00 0.00 O ATOM 0 H SER A 65 -1.902 -2.028 -7.209 1.00 0.00 H new ATOM 0 HA SER A 65 -1.178 0.717 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.839 0.690 -8.615 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.332 -0.131 -8.207 1.00 0.00 H new ATOM 0 HG SER A 65 -2.676 2.278 -6.837 1.00 0.00 H new ATOM 1015 N LEU A 66 -3.156 0.732 -4.581 1.00 0.00 N ATOM 1016 CA LEU A 66 -4.209 0.575 -3.529 1.00 0.00 C ATOM 1017 C LEU A 66 -4.819 1.931 -3.177 1.00 0.00 C ATOM 1018 O LEU A 66 -4.309 2.971 -3.539 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.609 -0.070 -2.263 1.00 0.00 C ATOM 1020 CG LEU A 66 -2.205 0.501 -1.976 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.781 0.122 -0.545 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -1.165 -0.037 -3.001 1.00 0.00 C ATOM 0 H LEU A 66 -2.587 1.575 -4.506 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.992 -0.073 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.263 0.113 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.549 -1.151 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.243 1.586 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.789 0.525 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.494 0.536 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.759 -0.963 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.183 0.381 -2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.120 -1.124 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.462 0.255 -4.008 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.936 1.915 -2.485 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.623 3.190 -2.112 1.00 0.00 C ATOM 1036 C GLN A 67 -7.065 3.132 -0.647 1.00 0.00 C ATOM 1037 O GLN A 67 -7.911 2.347 -0.272 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.864 3.345 -2.996 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.487 3.091 -4.463 1.00 0.00 C ATOM 1040 CD GLN A 67 -7.425 1.583 -4.732 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -8.244 0.833 -4.246 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -6.477 1.107 -5.485 1.00 0.00 N ATOM 0 H GLN A 67 -6.402 1.067 -2.162 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.942 4.030 -2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.637 2.643 -2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.279 4.347 -2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.220 3.557 -5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.523 3.549 -4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.787 1.736 -5.895 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.424 0.104 -5.665 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.493 3.963 0.182 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.867 3.976 1.637 1.00 0.00 C ATOM 1053 C PHE A 68 -8.027 4.960 1.879 1.00 0.00 C ATOM 1054 O PHE A 68 -9.168 4.570 2.024 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.635 4.386 2.473 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.727 5.252 1.632 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.937 4.653 0.652 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.673 6.640 1.831 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -3.091 5.434 -0.137 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.817 7.423 1.044 1.00 0.00 C ATOM 1061 CZ PHE A 68 -3.027 6.814 0.057 1.00 0.00 C ATOM 0 H PHE A 68 -5.777 4.640 -0.082 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.193 2.980 1.937 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.950 4.928 3.365 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.099 3.499 2.812 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.980 3.584 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.289 7.103 2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.484 4.969 -0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.766 8.491 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.369 7.414 -0.553 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.735 6.239 1.921 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.803 7.268 2.146 1.00 0.00 C ATOM 1073 C PHE A 69 -8.494 8.508 1.290 1.00 0.00 C ATOM 1074 O PHE A 69 -7.882 9.448 1.756 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.829 7.668 3.634 1.00 0.00 C ATOM 1076 CG PHE A 69 -10.042 8.542 3.928 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -11.345 8.063 3.689 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.864 9.841 4.444 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -12.452 8.880 3.960 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.976 10.647 4.713 1.00 0.00 C ATOM 1081 CZ PHE A 69 -12.267 10.170 4.469 1.00 0.00 C ATOM 0 H PHE A 69 -6.795 6.618 1.808 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.773 6.857 1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.857 6.774 4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.915 8.205 3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.491 7.067 3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.868 10.215 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.451 8.512 3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -10.836 11.641 5.111 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.122 10.797 4.673 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.910 8.514 0.046 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.665 9.657 -0.879 1.00 0.00 C ATOM 1093 C PRO A 70 -9.742 10.746 -0.745 1.00 0.00 C ATOM 1094 O PRO A 70 -10.878 10.458 -0.431 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.728 8.989 -2.258 1.00 0.00 C ATOM 1096 CG PRO A 70 -9.698 7.854 -2.103 1.00 0.00 C ATOM 1097 CD PRO A 70 -9.662 7.436 -0.623 1.00 0.00 C ATOM 0 HA PRO A 70 -7.724 10.170 -0.680 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.063 9.692 -3.021 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.746 8.629 -2.566 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -10.703 8.162 -2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.422 7.019 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.667 7.340 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.172 6.471 -0.495 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.402 11.991 -0.976 1.00 0.00 N ATOM 1106 CA ALA A 71 -10.426 13.072 -0.850 1.00 0.00 C ATOM 1107 C ALA A 71 -11.645 12.732 -1.721 1.00 0.00 C ATOM 1108 O ALA A 71 -12.773 12.902 -1.312 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.829 14.401 -1.311 1.00 0.00 C ATOM 0 H ALA A 71 -8.468 12.302 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.735 13.154 0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.578 15.188 -1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.966 14.646 -0.692 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.517 14.318 -2.352 1.00 0.00 H new ATOM 1115 N SER A 72 -11.429 12.234 -2.910 1.00 0.00 N ATOM 1116 CA SER A 72 -12.579 11.858 -3.795 1.00 0.00 C ATOM 1117 C SER A 72 -12.046 11.066 -4.991 1.00 0.00 C ATOM 1118 O SER A 72 -10.971 11.334 -5.494 1.00 0.00 O ATOM 1119 CB SER A 72 -13.320 13.103 -4.293 1.00 0.00 C ATOM 1120 OG SER A 72 -14.588 12.714 -4.813 1.00 0.00 O ATOM 0 H SER A 72 -10.505 12.070 -3.310 1.00 0.00 H new ATOM 0 HA SER A 72 -13.281 11.252 -3.222 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.450 13.814 -3.477 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.735 13.605 -5.064 1.00 0.00 H new ATOM 0 HG SER A 72 -15.068 13.507 -5.132 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.779 10.087 -5.448 1.00 0.00 N ATOM 1127 CA TRP A 73 -12.297 9.274 -6.602 1.00 0.00 C ATOM 1128 C TRP A 73 -12.577 10.006 -7.918 1.00 0.00 C ATOM 1129 O TRP A 73 -11.816 10.853 -8.346 1.00 0.00 O ATOM 1130 CB TRP A 73 -13.022 7.925 -6.603 1.00 0.00 C ATOM 1131 CG TRP A 73 -12.606 7.091 -7.786 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -11.483 7.269 -8.533 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -13.287 5.934 -8.357 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -11.444 6.297 -9.520 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -12.528 5.454 -9.454 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -14.478 5.263 -8.035 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -12.936 4.350 -10.200 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -14.893 4.149 -8.786 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -14.122 3.695 -9.865 1.00 0.00 C ATOM 0 H TRP A 73 -13.688 9.815 -5.074 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.222 9.118 -6.507 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.802 7.389 -5.680 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -14.100 8.087 -6.628 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.743 8.041 -8.382 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.700 6.217 -10.213 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -15.079 5.605 -7.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.339 4.004 -11.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -15.811 3.640 -8.530 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -14.446 2.838 -10.437 1.00 0.00 H new ATOM 1150 N GLN A 74 -13.665 9.679 -8.568 1.00 0.00 N ATOM 1151 CA GLN A 74 -14.001 10.348 -9.859 1.00 0.00 C ATOM 1152 C GLN A 74 -14.727 11.670 -9.594 1.00 0.00 C ATOM 1153 O GLN A 74 -15.095 12.375 -10.512 1.00 0.00 O ATOM 1154 CB GLN A 74 -14.926 9.443 -10.682 1.00 0.00 C ATOM 1155 CG GLN A 74 -14.186 8.183 -11.147 1.00 0.00 C ATOM 1156 CD GLN A 74 -13.078 8.562 -12.132 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -13.277 9.390 -12.993 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -11.915 7.973 -12.048 1.00 0.00 N ATOM 0 H GLN A 74 -14.336 8.976 -8.259 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.076 10.538 -10.403 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -15.792 9.161 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.301 9.990 -11.547 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -13.759 7.664 -10.289 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -14.885 7.494 -11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.748 7.276 -11.323 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.174 8.210 -12.708 1.00 0.00 H new ATOM 1167 N GLY A 75 -14.950 12.013 -8.353 1.00 0.00 N ATOM 1168 CA GLY A 75 -15.673 13.287 -8.055 1.00 0.00 C ATOM 1169 C GLY A 75 -14.667 14.430 -7.961 1.00 0.00 C ATOM 1170 O GLY A 75 -13.503 14.274 -8.273 1.00 0.00 O ATOM 0 H GLY A 75 -14.666 11.471 -7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.404 13.495 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.224 13.195 -7.119 1.00 0.00 H new ATOM 1174 N GLU A 76 -15.099 15.579 -7.514 1.00 0.00 N ATOM 1175 CA GLU A 76 -14.155 16.716 -7.380 1.00 0.00 C ATOM 1176 C GLU A 76 -13.458 16.593 -6.025 1.00 0.00 C ATOM 1177 O GLU A 76 -14.089 16.577 -4.987 1.00 0.00 O ATOM 1178 CB GLU A 76 -14.919 18.043 -7.460 1.00 0.00 C ATOM 1179 CG GLU A 76 -15.871 18.182 -6.267 1.00 0.00 C ATOM 1180 CD GLU A 76 -16.940 19.230 -6.591 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -17.613 19.071 -7.595 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -17.058 20.175 -5.833 1.00 0.00 O ATOM 0 H GLU A 76 -16.061 15.775 -7.238 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.421 16.696 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.215 18.875 -7.471 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.483 18.090 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.340 17.223 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.316 18.476 -5.376 1.00 0.00 H new ATOM 1189 N GLN A 77 -12.161 16.471 -6.024 1.00 0.00 N ATOM 1190 CA GLN A 77 -11.441 16.314 -4.734 1.00 0.00 C ATOM 1191 C GLN A 77 -11.501 17.610 -3.926 1.00 0.00 C ATOM 1192 O GLN A 77 -11.639 18.693 -4.454 1.00 0.00 O ATOM 1193 CB GLN A 77 -9.970 15.908 -4.980 1.00 0.00 C ATOM 1194 CG GLN A 77 -9.463 16.506 -6.293 1.00 0.00 C ATOM 1195 CD GLN A 77 -9.746 18.006 -6.316 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -10.446 18.491 -7.188 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -9.223 18.770 -5.394 1.00 0.00 N ATOM 0 H GLN A 77 -11.572 16.473 -6.857 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.930 15.524 -4.164 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.348 16.251 -4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -9.887 14.822 -5.012 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -8.393 16.326 -6.397 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.951 16.021 -7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -8.638 18.362 -4.665 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.400 19.774 -5.403 1.00 0.00 H new ATOM 1206 N ARG A 78 -11.375 17.487 -2.635 1.00 0.00 N ATOM 1207 CA ARG A 78 -11.389 18.675 -1.739 1.00 0.00 C ATOM 1208 C ARG A 78 -9.930 19.059 -1.481 1.00 0.00 C ATOM 1209 O ARG A 78 -9.036 18.255 -1.659 1.00 0.00 O ATOM 1210 CB ARG A 78 -12.074 18.313 -0.410 1.00 0.00 C ATOM 1211 CG ARG A 78 -13.601 18.207 -0.581 1.00 0.00 C ATOM 1212 CD ARG A 78 -13.994 16.833 -1.138 1.00 0.00 C ATOM 1213 NE ARG A 78 -15.480 16.696 -1.103 1.00 0.00 N ATOM 1214 CZ ARG A 78 -16.075 15.758 -1.793 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -15.380 14.967 -2.567 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -17.371 15.623 -1.721 1.00 0.00 N ATOM 0 H ARG A 78 -11.261 16.595 -2.154 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.935 19.502 -2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.680 17.366 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.841 19.069 0.340 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -14.091 18.368 0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.951 18.990 -1.253 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.631 16.724 -2.160 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.530 16.042 -0.549 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.035 17.338 -0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.369 15.080 -2.635 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.849 14.237 -3.103 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -17.917 16.248 -1.128 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -17.838 14.892 -2.258 1.00 0.00 H new ATOM 1230 N GLN A 79 -9.665 20.267 -1.081 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.249 20.662 -0.844 1.00 0.00 C ATOM 1232 C GLN A 79 -7.781 20.132 0.513 1.00 0.00 C ATOM 1233 O GLN A 79 -6.635 20.291 0.896 1.00 0.00 O ATOM 1234 CB GLN A 79 -8.133 22.190 -0.905 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.923 22.846 0.237 1.00 0.00 C ATOM 1236 CD GLN A 79 -10.426 22.713 -0.024 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -11.199 22.527 0.896 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -10.877 22.792 -1.250 1.00 0.00 N ATOM 0 H GLN A 79 -10.359 20.994 -0.908 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.611 20.231 -1.615 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.085 22.482 -0.842 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.507 22.549 -1.864 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.667 22.374 1.186 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.652 23.898 0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.230 22.948 -2.023 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.876 22.698 -1.433 1.00 0.00 H new ATOM 1247 N THR A 80 -8.664 19.491 1.235 1.00 0.00 N ATOM 1248 CA THR A 80 -8.288 18.926 2.563 1.00 0.00 C ATOM 1249 C THR A 80 -7.773 17.487 2.361 1.00 0.00 C ATOM 1250 O THR A 80 -8.440 16.683 1.737 1.00 0.00 O ATOM 1251 CB THR A 80 -9.518 18.905 3.477 1.00 0.00 C ATOM 1252 OG1 THR A 80 -9.115 18.563 4.794 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.536 17.878 2.973 1.00 0.00 C ATOM 0 H THR A 80 -9.633 19.335 0.959 1.00 0.00 H new ATOM 0 HA THR A 80 -7.511 19.538 3.021 1.00 0.00 H new ATOM 0 HB THR A 80 -9.981 19.892 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.898 18.550 5.383 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.405 17.873 3.631 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.848 18.141 1.962 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.081 16.888 2.966 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.609 17.146 2.866 1.00 0.00 N ATOM 1262 CA PRO A 81 -6.046 15.772 2.706 1.00 0.00 C ATOM 1263 C PRO A 81 -6.628 14.778 3.714 1.00 0.00 C ATOM 1264 O PRO A 81 -7.508 15.101 4.485 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.557 15.988 2.975 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.519 17.088 3.982 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.691 18.012 3.638 1.00 0.00 C ATOM 0 HA PRO A 81 -6.271 15.345 1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.087 15.082 3.358 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.024 16.264 2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.616 16.695 4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.572 17.625 3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.170 18.402 4.536 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.364 18.871 3.052 1.00 0.00 H new ATOM 1275 N SER A 82 -6.115 13.579 3.737 1.00 0.00 N ATOM 1276 CA SER A 82 -6.615 12.582 4.720 1.00 0.00 C ATOM 1277 C SER A 82 -5.938 12.897 6.045 1.00 0.00 C ATOM 1278 O SER A 82 -4.732 12.897 6.160 1.00 0.00 O ATOM 1279 CB SER A 82 -6.262 11.160 4.257 1.00 0.00 C ATOM 1280 OG SER A 82 -6.616 10.235 5.276 1.00 0.00 O ATOM 0 H SER A 82 -5.374 13.249 3.119 1.00 0.00 H new ATOM 0 HA SER A 82 -7.699 12.633 4.818 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.792 10.923 3.334 1.00 0.00 H new ATOM 0 HB3 SER A 82 -5.196 11.090 4.040 1.00 0.00 H new ATOM 0 HG SER A 82 -7.289 10.637 5.863 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.704 13.193 7.039 1.00 0.00 N ATOM 1287 CA ARG A 83 -6.106 13.538 8.352 1.00 0.00 C ATOM 1288 C ARG A 83 -5.265 12.364 8.838 1.00 0.00 C ATOM 1289 O ARG A 83 -4.243 12.534 9.479 1.00 0.00 O ATOM 1290 CB ARG A 83 -7.234 13.818 9.338 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.651 14.233 10.694 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.794 14.504 11.673 1.00 0.00 C ATOM 1293 NE ARG A 83 -7.222 14.979 12.962 1.00 0.00 N ATOM 1294 CZ ARG A 83 -7.991 15.492 13.886 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -9.263 15.683 13.658 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -7.472 15.830 15.034 1.00 0.00 N ATOM 0 H ARG A 83 -7.723 13.213 7.005 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.470 14.419 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.878 14.608 8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.855 12.930 9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.004 13.446 11.081 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.035 15.125 10.580 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.472 15.252 11.263 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.378 13.597 11.831 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.218 14.903 13.126 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.662 15.431 12.754 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.857 16.084 14.384 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.476 15.693 15.203 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.063 16.231 15.762 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.691 11.174 8.532 1.00 0.00 N ATOM 1311 CA GLU A 84 -4.929 9.971 8.968 1.00 0.00 C ATOM 1312 C GLU A 84 -3.509 10.021 8.400 1.00 0.00 C ATOM 1313 O GLU A 84 -2.581 9.502 8.977 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.625 8.711 8.445 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.044 8.615 9.016 1.00 0.00 C ATOM 1316 CD GLU A 84 -7.983 9.546 8.244 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.995 9.467 7.026 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.673 10.323 8.884 1.00 0.00 O ATOM 0 H GLU A 84 -6.537 10.980 7.997 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.888 9.952 10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.664 8.734 7.356 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.052 7.827 8.725 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.402 7.588 8.951 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.039 8.884 10.072 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.335 10.615 7.258 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.979 10.665 6.643 1.00 0.00 C ATOM 1327 C TYR A 85 -0.998 11.443 7.538 1.00 0.00 C ATOM 1328 O TYR A 85 0.133 11.039 7.711 1.00 0.00 O ATOM 1329 CB TYR A 85 -2.123 11.276 5.224 1.00 0.00 C ATOM 1330 CG TYR A 85 -1.100 12.360 4.924 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.260 12.051 4.904 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.528 13.666 4.624 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.200 13.045 4.584 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.591 14.654 4.307 1.00 0.00 C ATOM 1335 CZ TYR A 85 0.772 14.342 4.284 1.00 0.00 C ATOM 1336 OH TYR A 85 1.699 15.317 3.975 1.00 0.00 O ATOM 0 H TYR A 85 -4.073 11.070 6.720 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.556 9.664 6.551 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.027 10.482 4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.124 11.693 5.116 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.590 11.049 5.134 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.581 13.906 4.639 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.253 12.807 4.570 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.920 15.657 4.080 1.00 0.00 H new ATOM 0 HH TYR A 85 1.237 16.161 3.791 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.407 12.530 8.126 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.459 13.296 9.003 1.00 0.00 C ATOM 1348 C VAL A 86 -0.577 12.813 10.446 1.00 0.00 C ATOM 1349 O VAL A 86 0.006 13.385 11.349 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.756 14.803 8.898 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.445 15.618 9.402 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -1.011 15.158 7.432 1.00 0.00 C ATOM 0 H VAL A 86 -2.344 12.924 8.044 1.00 0.00 H new ATOM 0 HA VAL A 86 0.564 13.123 8.670 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.630 15.037 9.506 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.222 16.682 9.322 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.644 15.366 10.444 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.322 15.385 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.222 16.224 7.347 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.129 14.915 6.840 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.864 14.588 7.063 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.289 11.738 10.672 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.399 11.196 12.066 1.00 0.00 C ATOM 1364 C ASP A 87 -0.322 10.120 12.228 1.00 0.00 C ATOM 1365 O ASP A 87 -0.091 9.602 13.301 1.00 0.00 O ATOM 1366 CB ASP A 87 -2.817 10.621 12.314 1.00 0.00 C ATOM 1367 CG ASP A 87 -2.974 9.181 11.789 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.090 8.698 11.105 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -3.996 8.585 12.087 1.00 0.00 O ATOM 0 H ASP A 87 -1.796 11.214 9.959 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.246 11.986 12.802 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.030 10.639 13.383 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.554 11.262 11.831 1.00 0.00 H new ATOM 1374 N LEU A 88 0.368 9.820 11.147 1.00 0.00 N ATOM 1375 CA LEU A 88 1.480 8.818 11.183 1.00 0.00 C ATOM 1376 C LEU A 88 2.752 9.532 10.761 1.00 0.00 C ATOM 1377 O LEU A 88 3.847 9.037 10.934 1.00 0.00 O ATOM 1378 CB LEU A 88 1.193 7.606 10.257 1.00 0.00 C ATOM 1379 CG LEU A 88 0.282 8.001 9.063 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.127 8.493 7.888 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.526 6.781 8.611 1.00 0.00 C ATOM 0 H LEU A 88 0.202 10.235 10.230 1.00 0.00 H new ATOM 0 HA LEU A 88 1.581 8.416 12.191 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.134 7.205 9.880 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.716 6.813 10.833 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.387 8.799 9.386 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.474 8.766 7.059 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.706 9.364 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.805 7.701 7.570 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.165 7.058 7.773 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.155 5.988 8.301 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.143 6.427 9.437 1.00 0.00 H new ATOM 1393 N GLU A 89 2.614 10.706 10.228 1.00 0.00 N ATOM 1394 CA GLU A 89 3.812 11.468 9.819 1.00 0.00 C ATOM 1395 C GLU A 89 4.421 12.080 11.078 1.00 0.00 C ATOM 1396 O GLU A 89 5.614 12.159 11.238 1.00 0.00 O ATOM 1397 CB GLU A 89 3.397 12.582 8.865 1.00 0.00 C ATOM 1398 CG GLU A 89 4.644 13.196 8.243 1.00 0.00 C ATOM 1399 CD GLU A 89 4.261 14.412 7.401 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.278 14.327 6.688 1.00 0.00 O ATOM 1401 OE2 GLU A 89 4.963 15.409 7.486 1.00 0.00 O ATOM 0 H GLU A 89 1.722 11.170 10.058 1.00 0.00 H new ATOM 0 HA GLU A 89 4.532 10.820 9.319 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.744 12.187 8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.830 13.344 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.344 13.490 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.152 12.458 7.622 1.00 0.00 H new ATOM 1408 N ARG A 90 3.581 12.506 11.976 1.00 0.00 N ATOM 1409 CA ARG A 90 4.059 13.113 13.244 1.00 0.00 C ATOM 1410 C ARG A 90 4.849 12.083 14.068 1.00 0.00 C ATOM 1411 O ARG A 90 5.712 12.435 14.847 1.00 0.00 O ATOM 1412 CB ARG A 90 2.837 13.628 14.026 1.00 0.00 C ATOM 1413 CG ARG A 90 3.247 14.384 15.307 1.00 0.00 C ATOM 1414 CD ARG A 90 3.633 15.839 14.990 1.00 0.00 C ATOM 1415 NE ARG A 90 2.400 16.681 14.935 1.00 0.00 N ATOM 1416 CZ ARG A 90 2.500 17.984 14.922 1.00 0.00 C ATOM 1417 NH1 ARG A 90 3.675 18.546 15.006 1.00 0.00 N ATOM 1418 NH2 ARG A 90 1.427 18.725 14.832 1.00 0.00 N ATOM 0 H ARG A 90 2.566 12.458 11.882 1.00 0.00 H new ATOM 0 HA ARG A 90 4.731 13.944 13.032 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.250 14.288 13.388 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.195 12.787 14.291 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.423 14.370 16.021 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.087 13.876 15.780 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.313 16.220 15.752 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.162 15.887 14.038 1.00 0.00 H new ATOM 0 HE ARG A 90 1.481 16.239 14.908 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.512 17.968 15.082 1.00 0.00 H new ATOM 0 HH12 ARG A 90 3.756 19.563 14.996 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.508 18.287 14.772 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.509 19.742 14.822 1.00 0.00 H new ATOM 1432 N GLU A 91 4.545 10.818 13.936 1.00 0.00 N ATOM 1433 CA GLU A 91 5.274 9.790 14.756 1.00 0.00 C ATOM 1434 C GLU A 91 6.693 9.517 14.222 1.00 0.00 C ATOM 1435 O GLU A 91 7.603 10.289 14.439 1.00 0.00 O ATOM 1436 CB GLU A 91 4.469 8.483 14.775 1.00 0.00 C ATOM 1437 CG GLU A 91 5.088 7.507 15.789 1.00 0.00 C ATOM 1438 CD GLU A 91 4.882 8.043 17.208 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.773 8.439 17.517 1.00 0.00 O ATOM 1440 OE2 GLU A 91 5.840 8.050 17.961 1.00 0.00 O ATOM 0 H GLU A 91 3.833 10.450 13.305 1.00 0.00 H new ATOM 0 HA GLU A 91 5.375 10.186 15.766 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.432 8.688 15.039 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.462 8.034 13.782 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.628 6.524 15.690 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.152 7.383 15.587 1.00 0.00 H new ATOM 1447 N ALA A 92 6.893 8.403 13.558 1.00 0.00 N ATOM 1448 CA ALA A 92 8.248 8.047 13.043 1.00 0.00 C ATOM 1449 C ALA A 92 8.786 9.162 12.166 1.00 0.00 C ATOM 1450 O ALA A 92 9.933 9.145 11.766 1.00 0.00 O ATOM 1451 CB ALA A 92 8.154 6.767 12.198 1.00 0.00 C ATOM 0 H ALA A 92 6.165 7.720 13.350 1.00 0.00 H new ATOM 0 HA ALA A 92 8.914 7.895 13.892 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.143 6.506 11.821 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.773 5.952 12.813 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.479 6.934 11.359 1.00 0.00 H new ATOM 1457 N GLY A 93 7.970 10.099 11.800 1.00 0.00 N ATOM 1458 CA GLY A 93 8.473 11.152 10.890 1.00 0.00 C ATOM 1459 C GLY A 93 8.470 10.517 9.511 1.00 0.00 C ATOM 1460 O GLY A 93 9.178 10.919 8.612 1.00 0.00 O ATOM 0 H GLY A 93 6.994 10.183 12.085 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.835 12.035 10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.475 11.473 11.174 1.00 0.00 H new ATOM 1464 N LYS A 94 7.674 9.483 9.365 1.00 0.00 N ATOM 1465 CA LYS A 94 7.599 8.742 8.074 1.00 0.00 C ATOM 1466 C LYS A 94 6.137 8.624 7.655 1.00 0.00 C ATOM 1467 O LYS A 94 5.251 8.590 8.484 1.00 0.00 O ATOM 1468 CB LYS A 94 8.163 7.334 8.287 1.00 0.00 C ATOM 1469 CG LYS A 94 9.602 7.432 8.798 1.00 0.00 C ATOM 1470 CD LYS A 94 10.186 6.033 9.041 1.00 0.00 C ATOM 1471 CE LYS A 94 10.622 5.400 7.718 1.00 0.00 C ATOM 1472 NZ LYS A 94 11.283 4.100 8.002 1.00 0.00 N ATOM 0 H LYS A 94 7.066 9.120 10.099 1.00 0.00 H new ATOM 0 HA LYS A 94 8.167 9.267 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.548 6.789 9.003 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.135 6.774 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.215 7.967 8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.627 8.008 9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.038 6.100 9.718 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.442 5.401 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.759 5.250 7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.307 6.064 7.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.103 3.440 7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.308 4.246 8.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.902 3.702 8.884 1.00 0.00 H new ATOM 1486 N VAL A 95 5.880 8.546 6.373 1.00 0.00 N ATOM 1487 CA VAL A 95 4.469 8.413 5.886 1.00 0.00 C ATOM 1488 C VAL A 95 4.298 7.015 5.295 1.00 0.00 C ATOM 1489 O VAL A 95 5.072 6.594 4.459 1.00 0.00 O ATOM 1490 CB VAL A 95 4.211 9.474 4.804 1.00 0.00 C ATOM 1491 CG1 VAL A 95 2.753 9.408 4.343 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.495 10.872 5.364 1.00 0.00 C ATOM 0 H VAL A 95 6.588 8.569 5.639 1.00 0.00 H new ATOM 0 HA VAL A 95 3.763 8.558 6.703 1.00 0.00 H new ATOM 0 HB VAL A 95 4.871 9.277 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.579 10.163 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.546 8.420 3.932 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.094 9.594 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.310 11.618 4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.842 11.062 6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.535 10.931 5.684 1.00 0.00 H new ATOM 1502 N TYR A 96 3.294 6.282 5.712 1.00 0.00 N ATOM 1503 CA TYR A 96 3.106 4.909 5.145 1.00 0.00 C ATOM 1504 C TYR A 96 1.623 4.558 5.044 1.00 0.00 C ATOM 1505 O TYR A 96 0.783 5.161 5.686 1.00 0.00 O ATOM 1506 CB TYR A 96 3.860 3.882 5.999 1.00 0.00 C ATOM 1507 CG TYR A 96 3.303 3.764 7.406 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.654 4.705 8.391 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.484 2.677 7.741 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.179 4.559 9.703 1.00 0.00 C ATOM 1511 CE2 TYR A 96 2.018 2.525 9.046 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.360 3.465 10.032 1.00 0.00 C ATOM 1513 OH TYR A 96 1.895 3.309 11.328 1.00 0.00 O ATOM 0 H TYR A 96 2.607 6.568 6.409 1.00 0.00 H new ATOM 0 HA TYR A 96 3.517 4.889 4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.814 2.908 5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.912 4.163 6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.290 5.540 8.137 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.213 1.955 6.985 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.442 5.285 10.458 1.00 0.00 H new ATOM 0 HE2 TYR A 96 1.392 1.682 9.300 1.00 0.00 H new ATOM 0 HH TYR A 96 1.342 2.502 11.382 1.00 0.00 H new ATOM 1523 N LEU A 97 1.297 3.593 4.215 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.129 3.192 4.030 1.00 0.00 C ATOM 1525 C LEU A 97 -0.262 1.668 4.196 1.00 0.00 C ATOM 1526 O LEU A 97 0.588 0.885 3.773 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.601 3.619 2.622 1.00 0.00 C ATOM 1528 CG LEU A 97 0.596 3.615 1.634 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.109 3.300 0.212 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.291 4.992 1.629 1.00 0.00 C ATOM 0 H LEU A 97 1.966 3.064 3.656 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.750 3.683 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.377 2.940 2.268 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.044 4.614 2.665 1.00 0.00 H new ATOM 0 HG LEU A 97 1.302 2.851 1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.958 3.300 -0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.367 2.320 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.610 4.057 -0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.129 4.974 0.932 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.579 5.758 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.657 5.218 2.630 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.331 1.268 4.829 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.611 -0.160 5.095 1.00 0.00 C ATOM 1544 C LYS A 98 -3.012 -0.488 4.601 1.00 0.00 C ATOM 1545 O LYS A 98 -3.963 0.194 4.930 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.550 -0.349 6.609 1.00 0.00 C ATOM 1547 CG LYS A 98 -1.935 -1.776 6.971 1.00 0.00 C ATOM 1548 CD LYS A 98 -1.875 -1.952 8.485 1.00 0.00 C ATOM 1549 CE LYS A 98 -2.017 -3.435 8.821 1.00 0.00 C ATOM 1550 NZ LYS A 98 -1.910 -3.632 10.295 1.00 0.00 N ATOM 0 H LYS A 98 -2.046 1.904 5.184 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.895 -0.808 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.545 -0.132 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.224 0.354 7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.939 -1.996 6.608 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.259 -2.480 6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.931 -1.568 8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.671 -1.380 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.977 -3.808 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.243 -4.008 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.007 -4.643 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -0.984 -3.292 10.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.664 -3.098 10.772 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.172 -1.535 3.832 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.554 -1.867 3.364 1.00 0.00 C ATOM 1566 C ALA A 99 -4.653 -3.348 2.934 1.00 0.00 C ATOM 1567 O ALA A 99 -3.710 -3.897 2.395 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.911 -0.960 2.184 1.00 0.00 C ATOM 0 H ALA A 99 -2.430 -2.159 3.515 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.252 -1.707 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.917 -1.195 1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.871 0.082 2.501 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.200 -1.121 1.374 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.796 -3.984 3.136 1.00 0.00 N ATOM 1575 CA PRO A 100 -6.025 -5.407 2.719 1.00 0.00 C ATOM 1576 C PRO A 100 -6.402 -5.517 1.232 1.00 0.00 C ATOM 1577 O PRO A 100 -7.521 -5.244 0.853 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.208 -5.827 3.591 1.00 0.00 C ATOM 1579 CG PRO A 100 -8.012 -4.577 3.727 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.996 -3.436 3.803 1.00 0.00 C ATOM 0 HA PRO A 100 -5.135 -6.025 2.841 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.785 -6.625 3.124 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.878 -6.198 4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.682 -4.448 2.877 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.634 -4.607 4.622 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.361 -2.542 3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.786 -3.156 4.835 1.00 0.00 H new ATOM 1588 N MET A 101 -5.479 -5.903 0.384 1.00 0.00 N ATOM 1589 CA MET A 101 -5.794 -6.011 -1.088 1.00 0.00 C ATOM 1590 C MET A 101 -6.086 -7.468 -1.478 1.00 0.00 C ATOM 1591 O MET A 101 -5.406 -8.385 -1.062 1.00 0.00 O ATOM 1592 CB MET A 101 -4.588 -5.499 -1.893 1.00 0.00 C ATOM 1593 CG MET A 101 -4.892 -5.541 -3.400 1.00 0.00 C ATOM 1594 SD MET A 101 -6.292 -4.457 -3.788 1.00 0.00 S ATOM 1595 CE MET A 101 -5.507 -2.882 -3.381 1.00 0.00 C ATOM 0 H MET A 101 -4.523 -6.149 0.640 1.00 0.00 H new ATOM 0 HA MET A 101 -6.678 -5.412 -1.306 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.349 -4.479 -1.592 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.712 -6.110 -1.675 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.013 -5.228 -3.964 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.119 -6.563 -3.704 1.00 0.00 H new ATOM 0 HE1 MET A 101 -6.046 -2.070 -3.869 1.00 0.00 H new ATOM 0 HE2 MET A 101 -5.527 -2.734 -2.301 1.00 0.00 H new ATOM 0 HE3 MET A 101 -4.473 -2.891 -3.727 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.086 -7.695 -2.301 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.387 -9.094 -2.740 1.00 0.00 C ATOM 1607 C ILE A 102 -6.604 -9.400 -4.012 1.00 0.00 C ATOM 1608 O ILE A 102 -6.643 -8.677 -4.985 1.00 0.00 O ATOM 1609 CB ILE A 102 -8.919 -9.353 -2.928 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -9.687 -8.067 -3.412 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.503 -9.887 -1.598 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -10.877 -7.716 -2.492 1.00 0.00 C ATOM 0 H ILE A 102 -7.701 -6.977 -2.684 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.071 -9.774 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.052 -10.098 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -8.996 -7.225 -3.446 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -10.049 -8.223 -4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.571 -10.071 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -9.002 -10.817 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.348 -9.150 -0.810 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -11.375 -6.822 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.583 -8.546 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -10.513 -7.532 -1.481 1.00 0.00 H new ATOM 1624 N LEU A 103 -5.884 -10.488 -3.986 1.00 0.00 N ATOM 1625 CA LEU A 103 -5.068 -10.921 -5.152 1.00 0.00 C ATOM 1626 C LEU A 103 -5.836 -12.047 -5.826 1.00 0.00 C ATOM 1627 O LEU A 103 -6.905 -12.397 -5.379 1.00 0.00 O ATOM 1628 CB LEU A 103 -3.706 -11.449 -4.662 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.055 -10.447 -3.696 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -1.602 -10.862 -3.419 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -3.091 -9.034 -4.303 1.00 0.00 C ATOM 0 H LEU A 103 -5.827 -11.111 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.891 -10.094 -5.840 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.840 -12.409 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.048 -11.621 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.610 -10.443 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.144 -10.149 -2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.586 -11.856 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.043 -10.876 -4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.628 -8.329 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.545 -9.029 -5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.126 -8.741 -4.481 1.00 0.00 H new ATOM 1643 N ASN A 104 -5.323 -12.617 -6.882 1.00 0.00 N ATOM 1644 CA ASN A 104 -6.056 -13.738 -7.538 1.00 0.00 C ATOM 1645 C ASN A 104 -6.122 -14.893 -6.534 1.00 0.00 C ATOM 1646 O ASN A 104 -5.635 -15.978 -6.777 1.00 0.00 O ATOM 1647 CB ASN A 104 -5.296 -14.189 -8.789 1.00 0.00 C ATOM 1648 CG ASN A 104 -6.032 -15.366 -9.433 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -5.536 -16.478 -9.442 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -7.201 -15.170 -9.976 1.00 0.00 N ATOM 0 H ASN A 104 -4.437 -12.359 -7.316 1.00 0.00 H new ATOM 0 HA ASN A 104 -7.057 -13.423 -7.833 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -5.216 -13.364 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.280 -14.482 -8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.700 -15.948 -10.408 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.617 -14.239 -9.969 1.00 0.00 H new ATOM 1657 N GLY A 105 -6.710 -14.642 -5.394 1.00 0.00 N ATOM 1658 CA GLY A 105 -6.810 -15.680 -4.333 1.00 0.00 C ATOM 1659 C GLY A 105 -7.669 -15.146 -3.179 1.00 0.00 C ATOM 1660 O GLY A 105 -8.858 -15.392 -3.106 1.00 0.00 O ATOM 0 H GLY A 105 -7.131 -13.745 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.252 -16.590 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.816 -15.942 -3.970 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.062 -14.423 -2.268 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.809 -13.868 -1.094 1.00 0.00 C ATOM 1666 C VAL A 106 -7.134 -12.551 -0.655 1.00 0.00 C ATOM 1667 O VAL A 106 -6.210 -12.086 -1.292 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.804 -14.887 0.074 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -9.154 -14.853 0.801 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.547 -16.314 -0.456 1.00 0.00 C ATOM 0 H VAL A 106 -6.069 -14.191 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.845 -13.675 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 106 -7.007 -14.615 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.144 -15.571 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.329 -13.853 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.950 -15.111 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.547 -17.017 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.332 -16.587 -1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.580 -16.347 -0.959 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.587 -11.947 0.417 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.976 -10.659 0.869 1.00 0.00 C ATOM 1682 C CYS A 107 -5.521 -10.857 1.286 1.00 0.00 C ATOM 1683 O CYS A 107 -5.100 -11.929 1.676 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.783 -10.108 2.049 1.00 0.00 C ATOM 1685 SG CYS A 107 -8.397 -11.482 3.028 1.00 0.00 S ATOM 0 H CYS A 107 -8.352 -12.290 0.997 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.996 -9.952 0.039 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.158 -9.458 2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.614 -9.502 1.687 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.587 -11.202 3.470 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.764 -9.796 1.198 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.324 -9.822 1.577 1.00 0.00 C ATOM 1693 C VAL A 108 -3.036 -8.525 2.340 1.00 0.00 C ATOM 1694 O VAL A 108 -3.652 -7.518 2.070 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.474 -9.894 0.307 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.513 -8.557 -0.471 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -1.049 -10.226 0.707 1.00 0.00 C ATOM 0 H VAL A 108 -5.095 -8.889 0.870 1.00 0.00 H new ATOM 0 HA VAL A 108 -3.088 -10.686 2.198 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.874 -10.665 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.899 -8.640 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.541 -8.331 -0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.126 -7.757 0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.425 -10.282 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.667 -9.449 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.030 -11.185 1.224 1.00 0.00 H new ATOM 1707 N ILE A 109 -2.134 -8.522 3.293 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.875 -7.254 4.061 1.00 0.00 C ATOM 1709 C ILE A 109 -0.616 -6.555 3.517 1.00 0.00 C ATOM 1710 O ILE A 109 0.506 -6.923 3.777 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.742 -7.606 5.563 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -2.035 -6.384 6.446 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.337 -8.122 5.895 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -2.307 -6.865 7.875 1.00 0.00 C ATOM 0 H ILE A 109 -1.572 -9.327 3.572 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.704 -6.556 3.941 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.472 -8.389 5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.189 -5.697 6.433 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.896 -5.837 6.061 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.278 -8.360 6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -0.131 -9.019 5.311 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.399 -7.355 5.654 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.517 -6.007 8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -3.166 -7.537 7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -1.432 -7.394 8.254 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.828 -5.534 2.744 1.00 0.00 N ATOM 1727 CA TRP A 110 0.287 -4.761 2.142 1.00 0.00 C ATOM 1728 C TRP A 110 0.542 -3.527 3.009 1.00 0.00 C ATOM 1729 O TRP A 110 -0.374 -2.806 3.344 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.164 -4.338 0.742 1.00 0.00 C ATOM 1731 CG TRP A 110 0.978 -3.806 -0.050 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.711 -4.531 -0.925 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.523 -2.459 -0.074 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.669 -3.714 -1.487 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.594 -2.429 -0.995 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.193 -1.270 0.600 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.316 -1.270 -1.233 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 1.923 -0.097 0.361 1.00 0.00 C ATOM 1739 CH2 TRP A 110 2.980 -0.097 -0.557 1.00 0.00 C ATOM 0 H TRP A 110 -1.757 -5.192 2.497 1.00 0.00 H new ATOM 0 HA TRP A 110 1.204 -5.347 2.082 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.603 -5.191 0.225 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.941 -3.578 0.821 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.569 -5.578 -1.147 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.349 -4.023 -2.181 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.374 -1.260 1.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.134 -1.275 -1.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.669 0.811 0.888 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.535 0.811 -0.742 1.00 0.00 H new ATOM 1750 N LYS A 111 1.766 -3.276 3.393 1.00 0.00 N ATOM 1751 CA LYS A 111 2.046 -2.083 4.252 1.00 0.00 C ATOM 1752 C LYS A 111 3.407 -1.498 3.915 1.00 0.00 C ATOM 1753 O LYS A 111 4.360 -1.603 4.657 1.00 0.00 O ATOM 1754 CB LYS A 111 2.002 -2.494 5.718 1.00 0.00 C ATOM 1755 CG LYS A 111 2.762 -3.800 5.899 1.00 0.00 C ATOM 1756 CD LYS A 111 2.703 -4.205 7.365 1.00 0.00 C ATOM 1757 CE LYS A 111 3.664 -5.369 7.611 1.00 0.00 C ATOM 1758 NZ LYS A 111 3.180 -6.591 6.905 1.00 0.00 N ATOM 0 H LYS A 111 2.581 -3.840 3.152 1.00 0.00 H new ATOM 0 HA LYS A 111 1.288 -1.322 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 111 2.443 -1.714 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.968 -2.614 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.326 -4.580 5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.798 -3.680 5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.970 -3.359 7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.687 -4.495 7.633 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.662 -5.107 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 111 3.744 -5.565 8.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.761 -7.407 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.187 -6.769 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.254 -6.450 5.877 1.00 0.00 H new ATOM 1772 N GLY A 112 3.485 -0.862 2.794 1.00 0.00 N ATOM 1773 CA GLY A 112 4.760 -0.228 2.373 1.00 0.00 C ATOM 1774 C GLY A 112 4.965 1.074 3.135 1.00 0.00 C ATOM 1775 O GLY A 112 4.015 1.746 3.492 1.00 0.00 O ATOM 0 H GLY A 112 2.712 -0.750 2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.593 -0.905 2.561 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.743 -0.034 1.301 1.00 0.00 H new ATOM 1779 N TRP A 113 6.198 1.461 3.363 1.00 0.00 N ATOM 1780 CA TRP A 113 6.461 2.750 4.077 1.00 0.00 C ATOM 1781 C TRP A 113 7.592 3.514 3.387 1.00 0.00 C ATOM 1782 O TRP A 113 8.360 2.958 2.630 1.00 0.00 O ATOM 1783 CB TRP A 113 6.812 2.488 5.552 1.00 0.00 C ATOM 1784 CG TRP A 113 7.944 1.514 5.689 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.803 0.203 5.995 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.378 1.752 5.566 1.00 0.00 C ATOM 1787 NE1 TRP A 113 9.064 -0.378 6.067 1.00 0.00 N ATOM 1788 CE2 TRP A 113 10.064 0.539 5.809 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.140 2.894 5.270 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.457 0.466 5.762 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.539 2.825 5.218 1.00 0.00 C ATOM 1792 CH2 TRP A 113 12.197 1.612 5.467 1.00 0.00 C ATOM 0 H TRP A 113 7.031 0.941 3.086 1.00 0.00 H new ATOM 0 HA TRP A 113 5.557 3.357 4.042 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.080 3.428 6.035 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.935 2.102 6.072 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.865 -0.308 6.157 1.00 0.00 H new ATOM 0 HE1 TRP A 113 9.230 -1.361 6.284 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.643 3.834 5.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.959 -0.471 5.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.113 3.710 4.985 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.275 1.565 5.431 1.00 0.00 H new ATOM 1803 N ILE A 114 7.684 4.794 3.642 1.00 0.00 N ATOM 1804 CA ILE A 114 8.744 5.629 3.012 1.00 0.00 C ATOM 1805 C ILE A 114 8.982 6.839 3.918 1.00 0.00 C ATOM 1806 O ILE A 114 8.074 7.329 4.559 1.00 0.00 O ATOM 1807 CB ILE A 114 8.303 6.097 1.606 1.00 0.00 C ATOM 1808 CG1 ILE A 114 6.886 6.683 1.670 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.334 4.927 0.603 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.356 6.933 0.251 1.00 0.00 C ATOM 0 H ILE A 114 7.059 5.301 4.269 1.00 0.00 H new ATOM 0 HA ILE A 114 9.660 5.049 2.897 1.00 0.00 H new ATOM 0 HB ILE A 114 9.000 6.864 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.224 5.997 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 114 6.895 7.616 2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.020 5.281 -0.379 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.347 4.530 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.657 4.142 0.939 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.350 7.349 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.011 7.636 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.330 5.992 -0.299 1.00 0.00 H new ATOM 1822 N ASP A 115 10.192 7.309 4.009 1.00 0.00 N ATOM 1823 CA ASP A 115 10.469 8.460 4.908 1.00 0.00 C ATOM 1824 C ASP A 115 10.005 9.755 4.244 1.00 0.00 C ATOM 1825 O ASP A 115 9.677 9.786 3.075 1.00 0.00 O ATOM 1826 CB ASP A 115 11.973 8.490 5.214 1.00 0.00 C ATOM 1827 CG ASP A 115 12.230 9.142 6.580 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.329 9.792 7.086 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.323 8.970 7.098 1.00 0.00 O ATOM 0 H ASP A 115 10.999 6.947 3.501 1.00 0.00 H new ATOM 0 HA ASP A 115 9.923 8.356 5.845 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.372 7.476 5.208 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.498 9.044 4.435 1.00 0.00 H new ATOM 1834 N LEU A 116 9.938 10.811 4.996 1.00 0.00 N ATOM 1835 CA LEU A 116 9.449 12.100 4.443 1.00 0.00 C ATOM 1836 C LEU A 116 10.468 12.684 3.438 1.00 0.00 C ATOM 1837 O LEU A 116 10.152 13.588 2.693 1.00 0.00 O ATOM 1838 CB LEU A 116 9.182 13.057 5.624 1.00 0.00 C ATOM 1839 CG LEU A 116 8.096 14.103 5.268 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.614 14.786 6.558 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.653 15.162 4.294 1.00 0.00 C ATOM 0 H LEU A 116 10.204 10.838 5.980 1.00 0.00 H new ATOM 0 HA LEU A 116 8.522 11.952 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.865 12.483 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.106 13.567 5.897 1.00 0.00 H new ATOM 0 HG LEU A 116 7.263 13.596 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.849 15.524 6.315 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.196 14.038 7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.455 15.281 7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.873 15.886 4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.496 15.675 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.985 14.674 3.377 1.00 0.00 H new ATOM 1853 N HIS A 117 11.685 12.178 3.390 1.00 0.00 N ATOM 1854 CA HIS A 117 12.697 12.720 2.418 1.00 0.00 C ATOM 1855 C HIS A 117 12.984 11.700 1.309 1.00 0.00 C ATOM 1856 O HIS A 117 12.778 11.974 0.143 1.00 0.00 O ATOM 1857 CB HIS A 117 14.000 13.047 3.154 1.00 0.00 C ATOM 1858 CG HIS A 117 14.487 11.848 3.916 1.00 0.00 C ATOM 1859 ND1 HIS A 117 15.723 11.274 3.664 1.00 0.00 N ATOM 1860 CD2 HIS A 117 13.931 11.112 4.929 1.00 0.00 C ATOM 1861 CE1 HIS A 117 15.870 10.238 4.510 1.00 0.00 C ATOM 1862 NE2 HIS A 117 14.805 10.096 5.304 1.00 0.00 N ATOM 0 H HIS A 117 12.019 11.416 3.980 1.00 0.00 H new ATOM 0 HA HIS A 117 12.290 13.625 1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.759 13.364 2.439 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.839 13.880 3.838 1.00 0.00 H new ATOM 0 HD2 HIS A 117 12.962 11.293 5.370 1.00 0.00 H new ATOM 0 HE1 HIS A 117 16.741 9.600 4.543 1.00 0.00 H new ATOM 0 HE2 HIS A 117 14.663 9.393 6.030 1.00 0.00 H new ATOM 1870 N ARG A 118 13.464 10.526 1.647 1.00 0.00 N ATOM 1871 CA ARG A 118 13.766 9.516 0.581 1.00 0.00 C ATOM 1872 C ARG A 118 12.544 8.630 0.320 1.00 0.00 C ATOM 1873 O ARG A 118 11.994 8.015 1.212 1.00 0.00 O ATOM 1874 CB ARG A 118 14.963 8.644 1.002 1.00 0.00 C ATOM 1875 CG ARG A 118 14.589 7.707 2.165 1.00 0.00 C ATOM 1876 CD ARG A 118 15.863 7.045 2.715 1.00 0.00 C ATOM 1877 NE ARG A 118 15.523 6.129 3.851 1.00 0.00 N ATOM 1878 CZ ARG A 118 16.386 5.221 4.243 1.00 0.00 C ATOM 1879 NH1 ARG A 118 17.499 5.058 3.588 1.00 0.00 N ATOM 1880 NH2 ARG A 118 16.132 4.471 5.285 1.00 0.00 N ATOM 0 H ARG A 118 13.658 10.226 2.602 1.00 0.00 H new ATOM 0 HA ARG A 118 14.016 10.047 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.303 8.054 0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.795 9.283 1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.088 8.269 2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 118 13.889 6.945 1.822 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.361 6.485 1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.562 7.810 3.052 1.00 0.00 H new ATOM 0 HE ARG A 118 14.621 6.211 4.320 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.699 5.635 2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 118 18.171 4.353 3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 118 15.259 4.590 5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.807 3.767 5.584 1.00 0.00 H new ATOM 1894 N LEU A 119 12.120 8.568 -0.914 1.00 0.00 N ATOM 1895 CA LEU A 119 10.944 7.724 -1.284 1.00 0.00 C ATOM 1896 C LEU A 119 11.399 6.317 -1.688 1.00 0.00 C ATOM 1897 O LEU A 119 10.793 5.696 -2.524 1.00 0.00 O ATOM 1898 CB LEU A 119 10.181 8.351 -2.449 1.00 0.00 C ATOM 1899 CG LEU A 119 9.837 9.817 -2.154 1.00 0.00 C ATOM 1900 CD1 LEU A 119 8.815 10.294 -3.185 1.00 0.00 C ATOM 1901 CD2 LEU A 119 9.253 9.968 -0.741 1.00 0.00 C ATOM 0 H LEU A 119 12.544 9.073 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 119 10.291 7.660 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 119 10.781 8.290 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 119 9.266 7.789 -2.634 1.00 0.00 H new ATOM 0 HG LEU A 119 10.745 10.417 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.560 11.335 -2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.239 10.206 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 119 7.916 9.681 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 119 9.017 11.016 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 119 8.345 9.371 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 119 9.982 9.625 -0.007 1.00 0.00 H new ATOM 1913 N ASP A 120 12.472 5.822 -1.130 1.00 0.00 N ATOM 1914 CA ASP A 120 12.977 4.447 -1.498 1.00 0.00 C ATOM 1915 C ASP A 120 12.871 3.548 -0.264 1.00 0.00 C ATOM 1916 O ASP A 120 13.797 2.858 0.103 1.00 0.00 O ATOM 1917 CB ASP A 120 14.442 4.554 -1.948 1.00 0.00 C ATOM 1918 CG ASP A 120 15.296 5.090 -0.797 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.740 5.346 0.258 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.492 5.238 -0.995 1.00 0.00 O ATOM 0 H ASP A 120 13.031 6.308 -0.429 1.00 0.00 H new ATOM 0 HA ASP A 120 12.386 4.025 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 120 14.809 3.577 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.520 5.216 -2.811 1.00 0.00 H new ATOM 1925 N GLY A 121 11.747 3.581 0.391 1.00 0.00 N ATOM 1926 CA GLY A 121 11.550 2.771 1.624 1.00 0.00 C ATOM 1927 C GLY A 121 11.508 1.284 1.305 1.00 0.00 C ATOM 1928 O GLY A 121 12.024 0.826 0.310 1.00 0.00 O ATOM 0 H GLY A 121 10.942 4.145 0.120 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.358 2.972 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.622 3.067 2.112 1.00 0.00 H new ATOM 1932 N MET A 122 10.862 0.542 2.158 1.00 0.00 N ATOM 1933 CA MET A 122 10.723 -0.925 1.960 1.00 0.00 C ATOM 1934 C MET A 122 9.286 -1.302 2.284 1.00 0.00 C ATOM 1935 O MET A 122 8.569 -0.558 2.922 1.00 0.00 O ATOM 1936 CB MET A 122 11.650 -1.678 2.911 1.00 0.00 C ATOM 1937 CG MET A 122 13.109 -1.291 2.660 1.00 0.00 C ATOM 1938 SD MET A 122 14.194 -2.382 3.618 1.00 0.00 S ATOM 1939 CE MET A 122 14.065 -3.869 2.583 1.00 0.00 C ATOM 0 H MET A 122 10.415 0.899 3.002 1.00 0.00 H new ATOM 0 HA MET A 122 10.982 -1.185 0.934 1.00 0.00 H new ATOM 0 HB2 MET A 122 11.381 -1.454 3.943 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.525 -2.752 2.775 1.00 0.00 H new ATOM 0 HG2 MET A 122 13.340 -1.371 1.598 1.00 0.00 H new ATOM 0 HG3 MET A 122 13.276 -0.252 2.945 1.00 0.00 H new ATOM 0 HE1 MET A 122 13.641 -4.684 3.169 1.00 0.00 H new ATOM 0 HE2 MET A 122 13.420 -3.663 1.729 1.00 0.00 H new ATOM 0 HE3 MET A 122 15.056 -4.153 2.230 1.00 0.00 H new ATOM 1949 N GLY A 123 8.851 -2.445 1.852 1.00 0.00 N ATOM 1950 CA GLY A 123 7.455 -2.858 2.138 1.00 0.00 C ATOM 1951 C GLY A 123 7.367 -4.374 2.105 1.00 0.00 C ATOM 1952 O GLY A 123 7.451 -5.001 1.063 1.00 0.00 O ATOM 0 H GLY A 123 9.401 -3.113 1.312 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.145 -2.485 3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.777 -2.426 1.402 1.00 0.00 H new ATOM 1956 N CYS A 124 7.208 -4.971 3.248 1.00 0.00 N ATOM 1957 CA CYS A 124 7.104 -6.450 3.311 1.00 0.00 C ATOM 1958 C CYS A 124 5.655 -6.861 3.094 1.00 0.00 C ATOM 1959 O CYS A 124 4.741 -6.099 3.347 1.00 0.00 O ATOM 1960 CB CYS A 124 7.566 -6.934 4.686 1.00 0.00 C ATOM 1961 SG CYS A 124 9.128 -6.133 5.121 1.00 0.00 S ATOM 0 H CYS A 124 7.145 -4.495 4.148 1.00 0.00 H new ATOM 0 HA CYS A 124 7.732 -6.894 2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 124 6.808 -6.706 5.436 1.00 0.00 H new ATOM 0 HB3 CYS A 124 7.691 -8.017 4.678 1.00 0.00 H new ATOM 0 HG CYS A 124 9.516 -6.545 6.291 1.00 0.00 H new ATOM 1967 N LEU A 125 5.433 -8.070 2.649 1.00 0.00 N ATOM 1968 CA LEU A 125 4.031 -8.562 2.440 1.00 0.00 C ATOM 1969 C LEU A 125 3.828 -9.770 3.338 1.00 0.00 C ATOM 1970 O LEU A 125 4.751 -10.501 3.636 1.00 0.00 O ATOM 1971 CB LEU A 125 3.836 -8.936 0.960 1.00 0.00 C ATOM 1972 CG LEU A 125 2.370 -9.280 0.610 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.926 -10.636 1.223 1.00 0.00 C ATOM 1974 CD2 LEU A 125 1.442 -8.132 1.039 1.00 0.00 C ATOM 0 H LEU A 125 6.163 -8.744 2.419 1.00 0.00 H new ATOM 0 HA LEU A 125 3.301 -7.792 2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.168 -8.107 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.470 -9.789 0.720 1.00 0.00 H new ATOM 0 HG LEU A 125 2.299 -9.395 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.890 -10.836 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.562 -11.434 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.014 -10.591 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.412 -8.384 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.526 -7.979 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 125 1.729 -7.218 0.519 1.00 0.00 H new ATOM 1986 N GLU A 126 2.622 -9.999 3.761 1.00 0.00 N ATOM 1987 CA GLU A 126 2.350 -11.178 4.634 1.00 0.00 C ATOM 1988 C GLU A 126 0.916 -11.636 4.403 1.00 0.00 C ATOM 1989 O GLU A 126 -0.029 -11.047 4.886 1.00 0.00 O ATOM 1990 CB GLU A 126 2.540 -10.815 6.110 1.00 0.00 C ATOM 1991 CG GLU A 126 4.006 -10.460 6.374 1.00 0.00 C ATOM 1992 CD GLU A 126 4.229 -10.350 7.883 1.00 0.00 C ATOM 1993 OE1 GLU A 126 3.263 -10.494 8.612 1.00 0.00 O ATOM 1994 OE2 GLU A 126 5.363 -10.138 8.286 1.00 0.00 O ATOM 0 H GLU A 126 1.809 -9.423 3.543 1.00 0.00 H new ATOM 0 HA GLU A 126 3.048 -11.977 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 126 1.900 -9.973 6.372 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.240 -11.652 6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.660 -11.223 5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.259 -9.518 5.887 1.00 0.00 H new ATOM 2001 N PHE A 127 0.748 -12.677 3.654 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.619 -13.170 3.372 1.00 0.00 C ATOM 2003 C PHE A 127 -1.174 -13.904 4.600 1.00 0.00 C ATOM 2004 O PHE A 127 -0.938 -15.083 4.783 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.527 -14.117 2.170 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.821 -14.109 1.408 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -2.949 -14.682 1.987 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -1.890 -13.557 0.121 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -4.150 -14.712 1.289 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.096 -13.589 -0.583 1.00 0.00 C ATOM 2011 CZ PHE A 127 -4.228 -14.169 -0.002 1.00 0.00 C ATOM 0 H PHE A 127 1.501 -13.212 3.222 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.293 -12.343 3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.291 -13.811 1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.302 -15.128 2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -2.891 -15.104 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -1.014 -13.109 -0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -5.025 -15.154 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -3.154 -13.166 -1.575 1.00 0.00 H new ATOM 0 HZ PHE A 127 -5.160 -14.199 -0.546 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.913 -13.228 5.446 1.00 0.00 N ATOM 2022 CA ASP A 128 -2.469 -13.925 6.652 1.00 0.00 C ATOM 2023 C ASP A 128 -3.698 -13.195 7.199 1.00 0.00 C ATOM 2024 O ASP A 128 -3.903 -13.134 8.395 1.00 0.00 O ATOM 2025 CB ASP A 128 -1.400 -13.974 7.739 1.00 0.00 C ATOM 2026 CG ASP A 128 -1.931 -14.788 8.918 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.660 -15.735 8.678 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -1.601 -14.451 10.040 1.00 0.00 O ATOM 0 H ASP A 128 -2.153 -12.241 5.358 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.766 -14.932 6.358 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -0.487 -14.425 7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.144 -12.965 8.062 1.00 0.00 H new ATOM 2033 N GLU A 129 -4.504 -12.625 6.360 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.698 -11.886 6.866 1.00 0.00 C ATOM 2035 C GLU A 129 -6.780 -12.845 7.412 1.00 0.00 C ATOM 2036 O GLU A 129 -7.214 -13.786 6.753 1.00 0.00 O ATOM 2037 CB GLU A 129 -6.267 -11.042 5.731 1.00 0.00 C ATOM 2038 CG GLU A 129 -5.219 -10.049 5.243 1.00 0.00 C ATOM 2039 CD GLU A 129 -4.119 -10.804 4.505 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.426 -11.828 3.916 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -2.989 -10.351 4.536 1.00 0.00 O ATOM 0 H GLU A 129 -4.394 -12.635 5.346 1.00 0.00 H new ATOM 0 HA GLU A 129 -5.388 -11.249 7.694 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.580 -11.686 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.154 -10.508 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -5.678 -9.313 4.583 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -4.798 -9.502 6.087 1.00 0.00 H new ATOM 2048 N GLU A 130 -7.237 -12.605 8.615 1.00 0.00 N ATOM 2049 CA GLU A 130 -8.303 -13.479 9.185 1.00 0.00 C ATOM 2050 C GLU A 130 -9.549 -13.369 8.311 1.00 0.00 C ATOM 2051 O GLU A 130 -10.311 -14.305 8.154 1.00 0.00 O ATOM 2052 CB GLU A 130 -8.623 -13.041 10.621 1.00 0.00 C ATOM 2053 CG GLU A 130 -9.322 -11.677 10.614 1.00 0.00 C ATOM 2054 CD GLU A 130 -9.418 -11.142 12.047 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -9.981 -11.833 12.878 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -8.922 -10.052 12.287 1.00 0.00 O ATOM 0 H GLU A 130 -6.921 -11.848 9.221 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.962 -14.514 9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -9.261 -13.783 11.102 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -7.704 -12.984 11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.768 -10.976 9.990 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -10.318 -11.770 10.182 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.743 -12.242 7.697 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.909 -12.106 6.802 1.00 0.00 C ATOM 2065 C ARG A 131 -10.646 -12.996 5.595 1.00 0.00 C ATOM 2066 O ARG A 131 -11.538 -13.349 4.857 1.00 0.00 O ATOM 2067 CB ARG A 131 -11.120 -10.642 6.391 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.777 -9.977 6.124 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.986 -8.532 5.672 1.00 0.00 C ATOM 2070 NE ARG A 131 -8.684 -7.799 5.804 1.00 0.00 N ATOM 2071 CZ ARG A 131 -8.144 -7.593 6.975 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -8.785 -7.933 8.057 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -6.970 -7.034 7.066 1.00 0.00 N ATOM 0 H ARG A 131 -9.148 -11.417 7.777 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.825 -12.413 7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.743 -10.593 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -11.650 -10.107 7.179 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -9.166 -9.999 7.026 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.234 -10.531 5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -10.333 -8.505 4.639 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.754 -8.053 6.279 1.00 0.00 H new ATOM 0 HE ARG A 131 -8.213 -7.456 4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.709 -8.360 7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -8.363 -7.772 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -6.471 -6.756 6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -6.551 -6.874 7.982 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.415 -13.401 5.408 1.00 0.00 N ATOM 2088 CA ALA A 132 -9.104 -14.293 4.260 1.00 0.00 C ATOM 2089 C ALA A 132 -9.834 -15.606 4.427 1.00 0.00 C ATOM 2090 O ALA A 132 -10.453 -16.089 3.510 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.605 -14.586 4.186 1.00 0.00 C ATOM 0 H ALA A 132 -8.621 -13.153 5.998 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.420 -13.789 3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.404 -15.240 3.338 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.057 -13.652 4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.284 -15.075 5.106 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.759 -16.212 5.570 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.460 -17.524 5.697 1.00 0.00 C ATOM 2099 C GLN A 133 -11.982 -17.336 5.520 1.00 0.00 C ATOM 2100 O GLN A 133 -12.617 -18.017 4.724 1.00 0.00 O ATOM 2101 CB GLN A 133 -10.149 -18.162 7.074 1.00 0.00 C ATOM 2102 CG GLN A 133 -11.032 -17.540 8.167 1.00 0.00 C ATOM 2103 CD GLN A 133 -10.514 -17.925 9.553 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -9.352 -18.240 9.719 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -11.336 -17.881 10.563 1.00 0.00 N ATOM 0 H GLN A 133 -9.265 -15.878 6.397 1.00 0.00 H new ATOM 0 HA GLN A 133 -10.102 -18.193 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.319 -19.238 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -9.097 -18.015 7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -11.040 -16.455 8.063 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -12.061 -17.879 8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.310 -17.616 10.417 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -11.005 -18.112 11.500 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.584 -16.427 6.243 1.00 0.00 N ATOM 2115 CA GLN A 134 -14.061 -16.241 6.094 1.00 0.00 C ATOM 2116 C GLN A 134 -14.414 -15.551 4.765 1.00 0.00 C ATOM 2117 O GLN A 134 -15.394 -15.900 4.132 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.626 -15.448 7.282 1.00 0.00 C ATOM 2119 CG GLN A 134 -13.820 -14.170 7.484 1.00 0.00 C ATOM 2120 CD GLN A 134 -14.316 -13.429 8.730 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -14.567 -14.033 9.754 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -14.471 -12.133 8.685 1.00 0.00 N ATOM 0 H GLN A 134 -12.128 -15.815 6.919 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.520 -17.230 6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.673 -15.203 7.102 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -14.592 -16.056 8.186 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -12.762 -14.410 7.591 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -13.914 -13.529 6.608 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -14.261 -11.624 7.827 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -14.802 -11.630 9.508 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.647 -14.585 4.323 1.00 0.00 N ATOM 2132 CA GLU A 135 -14.000 -13.924 3.028 1.00 0.00 C ATOM 2133 C GLU A 135 -13.761 -14.893 1.872 1.00 0.00 C ATOM 2134 O GLU A 135 -14.385 -14.799 0.838 1.00 0.00 O ATOM 2135 CB GLU A 135 -13.180 -12.632 2.824 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.764 -12.933 2.273 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.732 -12.736 0.753 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -11.690 -11.596 0.321 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -11.741 -13.731 0.049 1.00 0.00 O ATOM 0 H GLU A 135 -12.811 -14.232 4.789 1.00 0.00 H new ATOM 0 HA GLU A 135 -15.055 -13.651 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.706 -11.972 2.134 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -13.096 -12.101 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -11.035 -12.276 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.480 -13.956 2.520 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.850 -15.821 2.021 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.614 -16.756 0.890 1.00 0.00 C ATOM 2148 C ASP A 136 -13.921 -17.487 0.633 1.00 0.00 C ATOM 2149 O ASP A 136 -14.274 -17.781 -0.491 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.455 -17.732 1.193 1.00 0.00 C ATOM 2151 CG ASP A 136 -11.792 -18.711 2.327 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.956 -18.936 2.583 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -10.858 -19.242 2.905 1.00 0.00 O ATOM 0 H ASP A 136 -12.277 -15.967 2.852 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.310 -16.208 -0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -11.213 -18.295 0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -10.565 -17.162 1.462 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.667 -17.738 1.673 1.00 0.00 N ATOM 2159 CA ALA A 137 -15.978 -18.408 1.494 1.00 0.00 C ATOM 2160 C ALA A 137 -16.912 -17.482 0.710 1.00 0.00 C ATOM 2161 O ALA A 137 -17.583 -17.901 -0.206 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.586 -18.697 2.867 1.00 0.00 C ATOM 0 H ALA A 137 -14.423 -17.507 2.636 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.845 -19.342 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.550 -19.190 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.917 -19.347 3.432 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.725 -17.761 3.408 1.00 0.00 H new ATOM 2168 N LEU A 138 -16.975 -16.229 1.085 1.00 0.00 N ATOM 2169 CA LEU A 138 -17.881 -15.263 0.381 1.00 0.00 C ATOM 2170 C LEU A 138 -17.197 -14.661 -0.864 1.00 0.00 C ATOM 2171 O LEU A 138 -17.763 -13.826 -1.543 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.233 -14.118 1.341 1.00 0.00 C ATOM 2173 CG LEU A 138 -18.804 -14.670 2.657 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -19.053 -13.506 3.622 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -20.130 -15.406 2.395 1.00 0.00 C ATOM 0 H LEU A 138 -16.436 -15.829 1.853 1.00 0.00 H new ATOM 0 HA LEU A 138 -18.775 -15.801 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -17.344 -13.522 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -18.960 -13.455 0.873 1.00 0.00 H new ATOM 0 HG LEU A 138 -18.090 -15.370 3.091 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -19.458 -13.890 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -18.114 -12.989 3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -19.764 -12.810 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -20.524 -15.792 3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -20.850 -14.714 1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -19.957 -16.234 1.707 1.00 0.00 H new ATOM 2187 N ALA A 139 -15.976 -15.036 -1.140 1.00 0.00 N ATOM 2188 CA ALA A 139 -15.235 -14.448 -2.307 1.00 0.00 C ATOM 2189 C ALA A 139 -15.925 -14.757 -3.647 1.00 0.00 C ATOM 2190 O ALA A 139 -15.626 -14.146 -4.652 1.00 0.00 O ATOM 2191 CB ALA A 139 -13.814 -15.026 -2.330 1.00 0.00 C ATOM 0 H ALA A 139 -15.452 -15.729 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 139 -15.218 -13.365 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -13.264 -14.607 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.303 -14.772 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.864 -16.110 -2.432 1.00 0.00 H new ATOM 2197 N GLN A 140 -16.821 -15.694 -3.690 1.00 0.00 N ATOM 2198 CA GLN A 140 -17.492 -16.018 -4.989 1.00 0.00 C ATOM 2199 C GLN A 140 -18.577 -14.975 -5.290 1.00 0.00 C ATOM 2200 O GLN A 140 -19.035 -14.277 -4.409 1.00 0.00 O ATOM 2201 CB GLN A 140 -18.122 -17.416 -4.892 1.00 0.00 C ATOM 2202 CG GLN A 140 -19.417 -17.373 -4.062 1.00 0.00 C ATOM 2203 CD GLN A 140 -19.190 -16.591 -2.767 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -18.201 -16.785 -2.093 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -20.074 -15.707 -2.392 1.00 0.00 N ATOM 0 H GLN A 140 -17.123 -16.252 -2.891 1.00 0.00 H new ATOM 0 HA GLN A 140 -16.758 -16.003 -5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -18.337 -17.793 -5.892 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -17.414 -18.108 -4.436 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -20.214 -16.907 -4.642 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -19.743 -18.387 -3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -20.906 -15.545 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -19.933 -15.178 -1.531 1.00 0.00 H new ATOM 2214 N GLN A 141 -19.006 -14.870 -6.525 1.00 0.00 N ATOM 2215 CA GLN A 141 -20.075 -13.881 -6.860 1.00 0.00 C ATOM 2216 C GLN A 141 -21.440 -14.553 -6.684 1.00 0.00 C ATOM 2217 O GLN A 141 -22.049 -14.350 -5.647 1.00 0.00 O ATOM 2218 CB GLN A 141 -19.948 -13.417 -8.315 1.00 0.00 C ATOM 2219 CG GLN A 141 -18.667 -12.601 -8.507 1.00 0.00 C ATOM 2220 CD GLN A 141 -18.597 -12.125 -9.960 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -19.345 -12.585 -10.797 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -17.737 -11.205 -10.297 1.00 0.00 N ATOM 2223 OXT GLN A 141 -21.851 -15.260 -7.589 1.00 0.00 O ATOM 0 H GLN A 141 -18.664 -15.424 -7.310 1.00 0.00 H new ATOM 0 HA GLN A 141 -19.975 -13.019 -6.201 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -19.939 -14.281 -8.979 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -20.814 -12.815 -8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -18.659 -11.747 -7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -17.794 -13.207 -8.266 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -17.106 -10.815 -9.597 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -17.695 -10.875 -11.261 1.00 0.00 H new TER 2232 GLN A 141