USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1032 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 114 LYS NZ :NH3+ 168:sc= -0.341 (180deg=-0.363) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= -0.303 USER MOD Set 2.1: A 35 ASN : amide:sc= -1.61 K(o=-4.7,f=-21!) USER MOD Set 2.2: A 57 HIS : no HD1:sc= -3.1! C(o=-4.7!,f=-14!) USER MOD Set 3.1: A 32 THR OG1 : rot -179:sc= 0.00177 USER MOD Set 3.2: A 44 THR OG1 : rot -35:sc= 0.875 USER MOD Set 4.1: A 10 MET CE :methyl -114:sc= -0.176 (180deg=0) USER MOD Set 4.2: A 76 GLN : amide:sc= -1.02 K(o=-1.2,f=-0.001) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0622 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -152:sc= -1.42 (180deg=-3.81!) USER MOD Single : A 15 THR OG1 : rot -22:sc= 0.896 USER MOD Single : A 19 HIS : no HE2:sc= -4.61! C(o=-4.6!,f=-9.6!) USER MOD Single : A 20 ASN : amide:sc= -4.3! C(o=-4.3!,f=-5.2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0131 K(o=-0.013,f=-1.3) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.286 USER MOD Single : A 36 MET CE :methyl -160:sc= -0.238 (180deg=-0.534) USER MOD Single : A 37 THR OG1 : rot -170:sc= -0.441 USER MOD Single : A 40 SER OG : rot 163:sc= 0.0283 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -39:sc= 1.03 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.11! C(o=-1.1!,f=-8.9!) USER MOD Single : A 60 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0317) USER MOD Single : A 61 SER OG : rot 67:sc= 0.463 USER MOD Single : A 63 SER OG : rot 180:sc= -0.0884 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 179:sc= -2.29! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -2.02! K(o=-2!,f=-1) USER MOD Single : A 70 GLN : amide:sc= -0.386 X(o=-0.39,f=-0.079) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.364 K(o=-0.36,f=-2.6!) USER MOD Single : A 80 ASN : amide:sc= -0.944 K(o=-0.94,f=-8.5!) USER MOD Single : A 83 CYS SG : rot -113:sc= -0.855 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.54 K(o=0.54,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 80:sc= 0.733 USER MOD Single : A 105 GLN : amide:sc= -0.475 K(o=-0.47,f=-2.3) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -1.78! C(o=-1.8!,f=-2.1!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 53:sc= 1.21 USER MOD Single : A 133 SER OG : rot 180:sc=-0.00347 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.886 -32.041 12.506 1.00 0.00 N ATOM 2 CA GLY A 1 -6.271 -30.947 11.635 1.00 0.00 C ATOM 3 C GLY A 1 -5.224 -30.649 10.580 1.00 0.00 C ATOM 4 O GLY A 1 -4.375 -31.489 10.283 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.637 -32.760 12.513 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.003 -32.467 12.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.741 -31.682 13.471 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.215 -31.190 11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.443 -30.053 12.234 1.00 0.00 H new ATOM 8 N SER A 2 -5.285 -29.449 10.010 1.00 0.00 N ATOM 9 CA SER A 2 -4.338 -29.044 8.978 1.00 0.00 C ATOM 10 C SER A 2 -3.108 -28.387 9.597 1.00 0.00 C ATOM 11 O SER A 2 -3.029 -27.163 9.698 1.00 0.00 O ATOM 12 CB SER A 2 -5.005 -28.080 7.994 1.00 0.00 C ATOM 13 OG SER A 2 -4.233 -27.942 6.814 1.00 0.00 O ATOM 0 H SER A 2 -5.980 -28.741 10.246 1.00 0.00 H new ATOM 0 HA SER A 2 -4.019 -29.937 8.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.000 -28.445 7.741 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.133 -27.105 8.465 1.00 0.00 H new ATOM 0 HG SER A 2 -4.681 -27.322 6.201 1.00 0.00 H new ATOM 19 N SER A 3 -2.150 -29.211 10.009 1.00 0.00 N ATOM 20 CA SER A 3 -0.924 -28.712 10.622 1.00 0.00 C ATOM 21 C SER A 3 0.003 -28.109 9.570 1.00 0.00 C ATOM 22 O SER A 3 0.013 -28.537 8.417 1.00 0.00 O ATOM 23 CB SER A 3 -0.205 -29.839 11.366 1.00 0.00 C ATOM 24 OG SER A 3 0.178 -30.874 10.477 1.00 0.00 O ATOM 0 H SER A 3 -2.199 -30.227 9.930 1.00 0.00 H new ATOM 0 HA SER A 3 -1.194 -27.932 11.333 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.677 -29.442 11.869 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.858 -30.243 12.140 1.00 0.00 H new ATOM 0 HG SER A 3 0.637 -31.581 10.977 1.00 0.00 H new ATOM 30 N GLY A 4 0.781 -27.111 9.978 1.00 0.00 N ATOM 31 CA GLY A 4 1.701 -26.465 9.060 1.00 0.00 C ATOM 32 C GLY A 4 1.332 -25.019 8.792 1.00 0.00 C ATOM 33 O GLY A 4 1.505 -24.158 9.655 1.00 0.00 O ATOM 0 H GLY A 4 0.791 -26.738 10.927 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.710 -26.509 9.470 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.715 -27.014 8.118 1.00 0.00 H new ATOM 37 N SER A 5 0.825 -24.752 7.593 1.00 0.00 N ATOM 38 CA SER A 5 0.437 -23.399 7.212 1.00 0.00 C ATOM 39 C SER A 5 1.620 -22.442 7.323 1.00 0.00 C ATOM 40 O SER A 5 1.530 -21.397 7.967 1.00 0.00 O ATOM 41 CB SER A 5 -0.714 -22.909 8.093 1.00 0.00 C ATOM 42 OG SER A 5 -1.621 -23.959 8.378 1.00 0.00 O ATOM 0 H SER A 5 0.673 -25.454 6.869 1.00 0.00 H new ATOM 0 HA SER A 5 0.107 -23.421 6.173 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.317 -22.505 9.024 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.240 -22.096 7.591 1.00 0.00 H new ATOM 0 HG SER A 5 -2.346 -23.620 8.944 1.00 0.00 H new ATOM 48 N SER A 6 2.730 -22.808 6.689 1.00 0.00 N ATOM 49 CA SER A 6 3.934 -21.986 6.719 1.00 0.00 C ATOM 50 C SER A 6 3.606 -20.531 6.395 1.00 0.00 C ATOM 51 O SER A 6 3.841 -19.635 7.205 1.00 0.00 O ATOM 52 CB SER A 6 4.967 -22.521 5.726 1.00 0.00 C ATOM 53 OG SER A 6 6.140 -21.725 5.732 1.00 0.00 O ATOM 0 H SER A 6 2.820 -23.668 6.149 1.00 0.00 H new ATOM 0 HA SER A 6 4.351 -22.031 7.725 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.221 -23.550 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.539 -22.536 4.724 1.00 0.00 H new ATOM 0 HG SER A 6 6.785 -22.089 5.090 1.00 0.00 H new ATOM 59 N GLY A 7 3.060 -20.305 5.204 1.00 0.00 N ATOM 60 CA GLY A 7 2.709 -18.958 4.793 1.00 0.00 C ATOM 61 C GLY A 7 1.987 -18.189 5.882 1.00 0.00 C ATOM 62 O GLY A 7 2.434 -17.119 6.296 1.00 0.00 O ATOM 0 H GLY A 7 2.855 -21.030 4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.614 -18.420 4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.077 -19.005 3.906 1.00 0.00 H new ATOM 66 N LEU A 8 0.868 -18.734 6.345 1.00 0.00 N ATOM 67 CA LEU A 8 0.081 -18.091 7.392 1.00 0.00 C ATOM 68 C LEU A 8 0.986 -17.512 8.475 1.00 0.00 C ATOM 69 O LEU A 8 0.985 -16.306 8.721 1.00 0.00 O ATOM 70 CB LEU A 8 -0.897 -19.092 8.010 1.00 0.00 C ATOM 71 CG LEU A 8 -2.164 -19.377 7.202 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.966 -18.101 6.998 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.812 -20.009 5.863 1.00 0.00 C ATOM 0 H LEU A 8 0.485 -19.619 6.013 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.482 -17.275 6.940 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.371 -20.034 8.168 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.192 -18.723 8.992 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.779 -20.081 7.763 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.864 -18.324 6.421 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.250 -17.691 7.967 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.360 -17.373 6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.726 -20.205 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.176 -19.329 5.296 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.282 -20.946 6.031 1.00 0.00 H new ATOM 85 N LYS A 9 1.759 -18.380 9.119 1.00 0.00 N ATOM 86 CA LYS A 9 2.672 -17.957 10.174 1.00 0.00 C ATOM 87 C LYS A 9 3.301 -16.608 9.840 1.00 0.00 C ATOM 88 O LYS A 9 3.265 -15.679 10.647 1.00 0.00 O ATOM 89 CB LYS A 9 3.768 -19.005 10.380 1.00 0.00 C ATOM 90 CG LYS A 9 3.348 -20.155 11.279 1.00 0.00 C ATOM 91 CD LYS A 9 4.422 -21.227 11.351 1.00 0.00 C ATOM 92 CE LYS A 9 5.589 -20.789 12.222 1.00 0.00 C ATOM 93 NZ LYS A 9 6.751 -21.712 12.098 1.00 0.00 N ATOM 0 H LYS A 9 1.771 -19.382 8.928 1.00 0.00 H new ATOM 0 HA LYS A 9 2.099 -17.854 11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.065 -19.403 9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.646 -18.521 10.809 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.141 -19.778 12.281 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.422 -20.591 10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.994 -22.146 11.750 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.781 -21.452 10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.894 -19.781 11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.269 -20.746 13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.525 -21.379 12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.467 -22.669 12.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.073 -21.734 11.109 1.00 0.00 H new ATOM 107 N MET A 10 3.876 -16.507 8.646 1.00 0.00 N ATOM 108 CA MET A 10 4.510 -15.270 8.205 1.00 0.00 C ATOM 109 C MET A 10 3.559 -14.087 8.359 1.00 0.00 C ATOM 110 O MET A 10 3.948 -13.024 8.846 1.00 0.00 O ATOM 111 CB MET A 10 4.958 -15.393 6.747 1.00 0.00 C ATOM 112 CG MET A 10 5.902 -16.558 6.498 1.00 0.00 C ATOM 113 SD MET A 10 7.416 -16.444 7.471 1.00 0.00 S ATOM 114 CE MET A 10 8.352 -15.261 6.505 1.00 0.00 C ATOM 0 H MET A 10 3.916 -17.267 7.967 1.00 0.00 H new ATOM 0 HA MET A 10 5.384 -15.095 8.832 1.00 0.00 H new ATOM 0 HB2 MET A 10 4.078 -15.507 6.113 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.449 -14.467 6.447 1.00 0.00 H new ATOM 0 HG2 MET A 10 5.392 -17.491 6.735 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.157 -16.594 5.439 1.00 0.00 H new ATOM 0 HE1 MET A 10 9.231 -15.749 6.083 1.00 0.00 H new ATOM 0 HE2 MET A 10 7.729 -14.876 5.698 1.00 0.00 H new ATOM 0 HE3 MET A 10 8.667 -14.437 7.145 1.00 0.00 H new ATOM 124 N LEU A 11 2.313 -14.277 7.942 1.00 0.00 N ATOM 125 CA LEU A 11 1.306 -13.225 8.033 1.00 0.00 C ATOM 126 C LEU A 11 1.401 -12.496 9.369 1.00 0.00 C ATOM 127 O LEU A 11 1.422 -11.266 9.416 1.00 0.00 O ATOM 128 CB LEU A 11 -0.094 -13.816 7.860 1.00 0.00 C ATOM 129 CG LEU A 11 -1.189 -12.834 7.440 1.00 0.00 C ATOM 130 CD1 LEU A 11 -1.211 -11.629 8.367 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.987 -12.396 5.997 1.00 0.00 C ATOM 0 H LEU A 11 1.975 -15.150 7.537 1.00 0.00 H new ATOM 0 HA LEU A 11 1.492 -12.507 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.042 -14.611 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.390 -14.279 8.801 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.152 -13.340 7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.996 -10.942 8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.405 -11.959 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.247 -11.121 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.775 -11.698 5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.017 -11.909 5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.024 -13.268 5.344 1.00 0.00 H new ATOM 143 N ARG A 12 1.461 -13.262 10.453 1.00 0.00 N ATOM 144 CA ARG A 12 1.555 -12.688 11.790 1.00 0.00 C ATOM 145 C ARG A 12 2.768 -11.770 11.904 1.00 0.00 C ATOM 146 O ARG A 12 2.639 -10.592 12.238 1.00 0.00 O ATOM 147 CB ARG A 12 1.641 -13.798 12.840 1.00 0.00 C ATOM 148 CG ARG A 12 0.433 -14.720 12.853 1.00 0.00 C ATOM 149 CD ARG A 12 0.328 -15.483 14.164 1.00 0.00 C ATOM 150 NE ARG A 12 1.189 -16.663 14.181 1.00 0.00 N ATOM 151 CZ ARG A 12 1.465 -17.355 15.280 1.00 0.00 C ATOM 152 NH1 ARG A 12 0.950 -16.988 16.446 1.00 0.00 N ATOM 153 NH2 ARG A 12 2.257 -18.418 15.215 1.00 0.00 N ATOM 0 H ARG A 12 1.446 -14.282 10.432 1.00 0.00 H new ATOM 0 HA ARG A 12 0.656 -12.097 11.968 1.00 0.00 H new ATOM 0 HB2 ARG A 12 2.537 -14.390 12.657 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.753 -13.346 13.826 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.474 -14.135 12.697 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.503 -15.425 12.025 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.599 -14.825 14.989 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.706 -15.787 14.325 1.00 0.00 H new ATOM 0 HE ARG A 12 1.601 -16.972 13.300 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.340 -16.172 16.500 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.164 -17.522 17.289 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.654 -18.704 14.320 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.468 -18.949 16.060 1.00 0.00 H new ATOM 167 N ASP A 13 3.946 -12.318 11.625 1.00 0.00 N ATOM 168 CA ASP A 13 5.183 -11.549 11.695 1.00 0.00 C ATOM 169 C ASP A 13 4.954 -10.110 11.244 1.00 0.00 C ATOM 170 O ASP A 13 5.381 -9.165 11.907 1.00 0.00 O ATOM 171 CB ASP A 13 6.264 -12.201 10.833 1.00 0.00 C ATOM 172 CG ASP A 13 7.311 -11.209 10.367 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.225 -10.895 11.159 1.00 0.00 O ATOM 174 OD2 ASP A 13 7.217 -10.746 9.211 1.00 0.00 O ATOM 0 H ASP A 13 4.070 -13.292 11.348 1.00 0.00 H new ATOM 0 HA ASP A 13 5.516 -11.537 12.733 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.748 -12.995 11.402 1.00 0.00 H new ATOM 0 HB3 ASP A 13 5.799 -12.669 9.965 1.00 0.00 H new ATOM 179 N MET A 14 4.279 -9.951 10.110 1.00 0.00 N ATOM 180 CA MET A 14 3.993 -8.627 9.570 1.00 0.00 C ATOM 181 C MET A 14 3.239 -7.776 10.587 1.00 0.00 C ATOM 182 O MET A 14 3.683 -6.687 10.953 1.00 0.00 O ATOM 183 CB MET A 14 3.179 -8.743 8.280 1.00 0.00 C ATOM 184 CG MET A 14 4.022 -9.063 7.056 1.00 0.00 C ATOM 185 SD MET A 14 4.182 -10.836 6.767 1.00 0.00 S ATOM 186 CE MET A 14 3.076 -11.053 5.375 1.00 0.00 C ATOM 0 H MET A 14 3.920 -10.722 9.548 1.00 0.00 H new ATOM 0 HA MET A 14 4.943 -8.140 9.348 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.425 -9.520 8.405 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.647 -7.807 8.110 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.575 -8.595 6.179 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.014 -8.628 7.179 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.675 -12.067 5.383 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.256 -10.338 5.447 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.622 -10.887 4.447 1.00 0.00 H new ATOM 196 N THR A 15 2.094 -8.279 11.039 1.00 0.00 N ATOM 197 CA THR A 15 1.277 -7.565 12.012 1.00 0.00 C ATOM 198 C THR A 15 2.105 -7.141 13.220 1.00 0.00 C ATOM 199 O THR A 15 1.885 -6.074 13.792 1.00 0.00 O ATOM 200 CB THR A 15 0.094 -8.426 12.492 1.00 0.00 C ATOM 201 OG1 THR A 15 0.578 -9.612 13.131 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.808 -8.803 11.327 1.00 0.00 C ATOM 0 H THR A 15 1.712 -9.178 10.746 1.00 0.00 H new ATOM 0 HA THR A 15 0.891 -6.678 11.510 1.00 0.00 H new ATOM 0 HB THR A 15 -0.486 -7.841 13.206 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.489 -9.801 12.823 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.637 -9.411 11.690 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.199 -7.898 10.862 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.236 -9.371 10.593 1.00 0.00 H new ATOM 210 N GLY A 16 3.060 -7.984 13.603 1.00 0.00 N ATOM 211 CA GLY A 16 3.907 -7.678 14.740 1.00 0.00 C ATOM 212 C GLY A 16 4.573 -6.321 14.620 1.00 0.00 C ATOM 213 O GLY A 16 4.506 -5.504 15.539 1.00 0.00 O ATOM 0 H GLY A 16 3.262 -8.873 13.146 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.310 -7.707 15.652 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.673 -8.448 14.836 1.00 0.00 H new ATOM 217 N LEU A 17 5.219 -6.080 13.484 1.00 0.00 N ATOM 218 CA LEU A 17 5.902 -4.813 13.246 1.00 0.00 C ATOM 219 C LEU A 17 5.135 -3.655 13.877 1.00 0.00 C ATOM 220 O LEU A 17 3.913 -3.692 14.021 1.00 0.00 O ATOM 221 CB LEU A 17 6.066 -4.574 11.744 1.00 0.00 C ATOM 222 CG LEU A 17 6.832 -5.649 10.973 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.600 -5.500 9.477 1.00 0.00 C ATOM 224 CD2 LEU A 17 8.318 -5.579 11.294 1.00 0.00 C ATOM 0 H LEU A 17 5.284 -6.745 12.714 1.00 0.00 H new ATOM 0 HA LEU A 17 6.888 -4.866 13.708 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.075 -4.475 11.302 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.575 -3.621 11.602 1.00 0.00 H new ATOM 0 HG LEU A 17 6.460 -6.626 11.282 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.153 -6.274 8.944 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.536 -5.601 9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.944 -4.518 9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.847 -6.351 10.736 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.705 -4.599 11.014 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.467 -5.736 12.362 1.00 0.00 H new ATOM 236 N PRO A 18 5.868 -2.599 14.260 1.00 0.00 N ATOM 237 CA PRO A 18 5.278 -1.408 14.879 1.00 0.00 C ATOM 238 C PRO A 18 4.445 -0.596 13.894 1.00 0.00 C ATOM 239 O PRO A 18 3.406 -0.040 14.254 1.00 0.00 O ATOM 240 CB PRO A 18 6.498 -0.605 15.337 1.00 0.00 C ATOM 241 CG PRO A 18 7.600 -1.041 14.433 1.00 0.00 C ATOM 242 CD PRO A 18 7.330 -2.486 14.119 1.00 0.00 C ATOM 0 HA PRO A 18 4.593 -1.665 15.686 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.320 0.467 15.255 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.738 -0.810 16.380 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.619 -0.441 13.523 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.570 -0.921 14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.658 -2.746 13.113 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.853 -3.151 14.807 1.00 0.00 H new ATOM 250 N HIS A 19 4.905 -0.531 12.649 1.00 0.00 N ATOM 251 CA HIS A 19 4.201 0.213 11.611 1.00 0.00 C ATOM 252 C HIS A 19 2.941 -0.527 11.172 1.00 0.00 C ATOM 253 O HIS A 19 2.014 0.074 10.630 1.00 0.00 O ATOM 254 CB HIS A 19 5.117 0.443 10.408 1.00 0.00 C ATOM 255 CG HIS A 19 6.089 -0.672 10.174 1.00 0.00 C ATOM 256 ND1 HIS A 19 7.311 -0.750 10.808 1.00 0.00 N ATOM 257 CD2 HIS A 19 6.013 -1.758 9.370 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.945 -1.836 10.403 1.00 0.00 C ATOM 259 NE2 HIS A 19 7.179 -2.466 9.531 1.00 0.00 N ATOM 0 H HIS A 19 5.763 -0.985 12.334 1.00 0.00 H new ATOM 0 HA HIS A 19 3.909 1.178 12.025 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.505 0.574 9.516 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.670 1.371 10.555 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.669 -0.075 11.484 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.189 -2.019 8.722 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.924 -2.155 10.730 1.00 0.00 H new ATOM 267 N ASN A 20 2.915 -1.834 11.410 1.00 0.00 N ATOM 268 CA ASN A 20 1.769 -2.656 11.038 1.00 0.00 C ATOM 269 C ASN A 20 0.957 -3.046 12.269 1.00 0.00 C ATOM 270 O ASN A 20 0.473 -4.173 12.374 1.00 0.00 O ATOM 271 CB ASN A 20 2.235 -3.913 10.301 1.00 0.00 C ATOM 272 CG ASN A 20 2.861 -3.597 8.956 1.00 0.00 C ATOM 273 OD1 ASN A 20 2.453 -2.657 8.275 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.859 -4.383 8.569 1.00 0.00 N ATOM 0 H ASN A 20 3.674 -2.347 11.859 1.00 0.00 H new ATOM 0 HA ASN A 20 1.132 -2.070 10.376 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.958 -4.446 10.919 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.386 -4.581 10.155 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.320 -4.218 7.674 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.164 -5.151 9.167 1.00 0.00 H new ATOM 281 N ARG A 21 0.811 -2.106 13.197 1.00 0.00 N ATOM 282 CA ARG A 21 0.058 -2.351 14.421 1.00 0.00 C ATOM 283 C ARG A 21 -1.375 -1.844 14.289 1.00 0.00 C ATOM 284 O ARG A 21 -2.288 -2.355 14.937 1.00 0.00 O ATOM 285 CB ARG A 21 0.743 -1.675 15.610 1.00 0.00 C ATOM 286 CG ARG A 21 2.186 -2.107 15.810 1.00 0.00 C ATOM 287 CD ARG A 21 2.273 -3.528 16.344 1.00 0.00 C ATOM 288 NE ARG A 21 1.745 -3.636 17.701 1.00 0.00 N ATOM 289 CZ ARG A 21 2.026 -4.642 18.522 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.827 -5.622 18.125 1.00 0.00 N ATOM 291 NH2 ARG A 21 1.507 -4.670 19.743 1.00 0.00 N ATOM 0 H ARG A 21 1.204 -1.168 13.124 1.00 0.00 H new ATOM 0 HA ARG A 21 0.029 -3.427 14.591 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.713 -0.595 15.469 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.178 -1.894 16.516 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.722 -2.040 14.863 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.678 -1.426 16.504 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.719 -4.197 15.685 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.312 -3.857 16.332 1.00 0.00 H new ATOM 0 HE ARG A 21 1.126 -2.898 18.037 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.229 -5.604 17.188 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.041 -6.393 18.757 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.891 -3.918 20.053 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.724 -5.443 20.372 1.00 0.00 H new ATOM 305 N LYS A 22 -1.564 -0.835 13.445 1.00 0.00 N ATOM 306 CA LYS A 22 -2.885 -0.258 13.226 1.00 0.00 C ATOM 307 C LYS A 22 -3.261 -0.304 11.749 1.00 0.00 C ATOM 308 O LYS A 22 -2.460 -0.712 10.906 1.00 0.00 O ATOM 309 CB LYS A 22 -2.923 1.187 13.729 1.00 0.00 C ATOM 310 CG LYS A 22 -3.065 1.303 15.236 1.00 0.00 C ATOM 311 CD LYS A 22 -3.054 2.754 15.687 1.00 0.00 C ATOM 312 CE LYS A 22 -1.639 3.244 15.953 1.00 0.00 C ATOM 313 NZ LYS A 22 -1.125 2.770 17.268 1.00 0.00 N ATOM 0 H LYS A 22 -0.819 -0.400 12.901 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.610 -0.850 13.785 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.010 1.695 13.418 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.755 1.707 13.253 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.995 0.830 15.552 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.252 0.764 15.722 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.518 3.377 14.923 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.653 2.860 16.592 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.979 2.896 15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.621 4.334 15.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.158 3.125 17.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.740 3.123 18.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.117 1.730 17.283 1.00 0.00 H new ATOM 327 N CYS A 23 -4.482 0.119 11.440 1.00 0.00 N ATOM 328 CA CYS A 23 -4.964 0.127 10.064 1.00 0.00 C ATOM 329 C CYS A 23 -4.185 1.134 9.221 1.00 0.00 C ATOM 330 O CYS A 23 -3.334 1.862 9.733 1.00 0.00 O ATOM 331 CB CYS A 23 -6.456 0.460 10.026 1.00 0.00 C ATOM 332 SG CYS A 23 -7.331 -0.207 8.574 1.00 0.00 S ATOM 0 H CYS A 23 -5.156 0.461 12.125 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.810 -0.868 9.645 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.927 0.073 10.930 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.576 1.543 10.043 1.00 0.00 H new ATOM 337 N PHE A 24 -4.483 1.170 7.927 1.00 0.00 N ATOM 338 CA PHE A 24 -3.812 2.086 7.013 1.00 0.00 C ATOM 339 C PHE A 24 -4.651 3.340 6.786 1.00 0.00 C ATOM 340 O PHE A 24 -4.115 4.423 6.547 1.00 0.00 O ATOM 341 CB PHE A 24 -3.536 1.395 5.675 1.00 0.00 C ATOM 342 CG PHE A 24 -2.552 2.131 4.812 1.00 0.00 C ATOM 343 CD1 PHE A 24 -1.252 2.341 5.245 1.00 0.00 C ATOM 344 CD2 PHE A 24 -2.925 2.612 3.568 1.00 0.00 C ATOM 345 CE1 PHE A 24 -0.344 3.018 4.453 1.00 0.00 C ATOM 346 CE2 PHE A 24 -2.022 3.290 2.771 1.00 0.00 C ATOM 347 CZ PHE A 24 -0.729 3.492 3.214 1.00 0.00 C ATOM 0 H PHE A 24 -5.185 0.575 7.487 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.865 2.380 7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.160 0.390 5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.474 1.286 5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.945 1.971 6.212 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.934 2.455 3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.666 3.176 4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.327 3.661 1.804 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.021 4.020 2.593 1.00 0.00 H new ATOM 357 N ASP A 25 -5.968 3.186 6.863 1.00 0.00 N ATOM 358 CA ASP A 25 -6.882 4.305 6.667 1.00 0.00 C ATOM 359 C ASP A 25 -7.455 4.778 8.000 1.00 0.00 C ATOM 360 O ASP A 25 -7.116 5.857 8.487 1.00 0.00 O ATOM 361 CB ASP A 25 -8.016 3.906 5.722 1.00 0.00 C ATOM 362 CG ASP A 25 -7.569 2.910 4.670 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.373 2.921 4.312 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.416 2.119 4.205 1.00 0.00 O ATOM 0 H ASP A 25 -6.427 2.297 7.060 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.321 5.127 6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.833 3.476 6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.407 4.797 5.231 1.00 0.00 H new ATOM 369 N CYS A 26 -8.328 3.963 8.584 1.00 0.00 N ATOM 370 CA CYS A 26 -8.951 4.297 9.859 1.00 0.00 C ATOM 371 C CYS A 26 -7.930 4.247 10.993 1.00 0.00 C ATOM 372 O CYS A 26 -8.242 4.576 12.138 1.00 0.00 O ATOM 373 CB CYS A 26 -10.105 3.337 10.154 1.00 0.00 C ATOM 374 SG CYS A 26 -9.575 1.693 10.732 1.00 0.00 S ATOM 0 H CYS A 26 -8.620 3.067 8.194 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.341 5.312 9.789 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.752 3.784 10.909 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.704 3.217 9.251 1.00 0.00 H new ATOM 379 N ASP A 27 -6.711 3.833 10.666 1.00 0.00 N ATOM 380 CA ASP A 27 -5.644 3.740 11.656 1.00 0.00 C ATOM 381 C ASP A 27 -6.158 3.122 12.952 1.00 0.00 C ATOM 382 O ASP A 27 -5.795 3.558 14.044 1.00 0.00 O ATOM 383 CB ASP A 27 -5.056 5.124 11.934 1.00 0.00 C ATOM 384 CG ASP A 27 -3.655 5.053 12.508 1.00 0.00 C ATOM 385 OD1 ASP A 27 -2.886 4.164 12.088 1.00 0.00 O ATOM 386 OD2 ASP A 27 -3.327 5.888 13.377 1.00 0.00 O ATOM 0 H ASP A 27 -6.437 3.556 9.723 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.862 3.096 11.253 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.038 5.700 11.009 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.704 5.658 12.629 1.00 0.00 H new ATOM 391 N GLN A 28 -7.004 2.105 12.822 1.00 0.00 N ATOM 392 CA GLN A 28 -7.568 1.429 13.984 1.00 0.00 C ATOM 393 C GLN A 28 -6.575 0.429 14.568 1.00 0.00 C ATOM 394 O GLN A 28 -5.604 0.049 13.913 1.00 0.00 O ATOM 395 CB GLN A 28 -8.866 0.713 13.604 1.00 0.00 C ATOM 396 CG GLN A 28 -9.445 -0.133 14.726 1.00 0.00 C ATOM 397 CD GLN A 28 -10.883 -0.538 14.468 1.00 0.00 C ATOM 398 OE1 GLN A 28 -11.462 -0.195 13.437 1.00 0.00 O ATOM 399 NE2 GLN A 28 -11.469 -1.272 15.407 1.00 0.00 N ATOM 0 H GLN A 28 -7.313 1.732 11.925 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.785 2.183 14.741 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.605 1.455 13.301 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.680 0.076 12.739 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.836 -1.028 14.852 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.390 0.424 15.661 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.952 -1.534 16.246 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.436 -1.574 15.289 1.00 0.00 H new ATOM 408 N ARG A 29 -6.824 0.008 15.804 1.00 0.00 N ATOM 409 CA ARG A 29 -5.951 -0.946 16.476 1.00 0.00 C ATOM 410 C ARG A 29 -6.463 -2.372 16.297 1.00 0.00 C ATOM 411 O ARG A 29 -7.504 -2.742 16.838 1.00 0.00 O ATOM 412 CB ARG A 29 -5.848 -0.613 17.966 1.00 0.00 C ATOM 413 CG ARG A 29 -5.133 -1.679 18.780 1.00 0.00 C ATOM 414 CD ARG A 29 -5.270 -1.425 20.273 1.00 0.00 C ATOM 415 NE ARG A 29 -6.664 -1.465 20.709 1.00 0.00 N ATOM 416 CZ ARG A 29 -7.109 -0.858 21.803 1.00 0.00 C ATOM 417 NH1 ARG A 29 -6.275 -0.169 22.569 1.00 0.00 N ATOM 418 NH2 ARG A 29 -8.391 -0.941 22.134 1.00 0.00 N ATOM 0 H ARG A 29 -7.623 0.313 16.360 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.961 -0.875 16.025 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.322 0.335 18.082 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.851 -0.472 18.368 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.543 -2.659 18.538 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.078 -1.699 18.509 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.697 -2.172 20.822 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.842 -0.453 20.516 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.332 -1.988 20.142 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.288 -0.104 22.319 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.620 0.296 23.409 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.036 -1.471 21.548 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.732 -0.474 22.975 1.00 0.00 H new ATOM 432 N GLY A 30 -5.723 -3.169 15.532 1.00 0.00 N ATOM 433 CA GLY A 30 -6.118 -4.545 15.294 1.00 0.00 C ATOM 434 C GLY A 30 -6.544 -4.787 13.859 1.00 0.00 C ATOM 435 O GLY A 30 -7.705 -5.079 13.574 1.00 0.00 O ATOM 0 H GLY A 30 -4.857 -2.886 15.073 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.287 -5.206 15.539 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.939 -4.805 15.962 1.00 0.00 H new ATOM 439 N PRO A 31 -5.588 -4.663 12.926 1.00 0.00 N ATOM 440 CA PRO A 31 -5.846 -4.864 11.497 1.00 0.00 C ATOM 441 C PRO A 31 -6.125 -6.324 11.158 1.00 0.00 C ATOM 442 O PRO A 31 -5.321 -7.207 11.461 1.00 0.00 O ATOM 443 CB PRO A 31 -4.548 -4.399 10.833 1.00 0.00 C ATOM 444 CG PRO A 31 -3.502 -4.579 11.878 1.00 0.00 C ATOM 445 CD PRO A 31 -4.182 -4.317 13.194 1.00 0.00 C ATOM 0 HA PRO A 31 -6.730 -4.321 11.162 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.325 -4.989 9.944 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.616 -3.358 10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.088 -5.587 11.846 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.673 -3.889 11.723 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.762 -4.930 13.992 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.076 -3.277 13.501 1.00 0.00 H new ATOM 453 N THR A 32 -7.268 -6.574 10.528 1.00 0.00 N ATOM 454 CA THR A 32 -7.653 -7.927 10.149 1.00 0.00 C ATOM 455 C THR A 32 -7.771 -8.062 8.635 1.00 0.00 C ATOM 456 O THR A 32 -8.469 -8.943 8.133 1.00 0.00 O ATOM 457 CB THR A 32 -8.991 -8.333 10.795 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.026 -7.433 10.383 1.00 0.00 O ATOM 459 CG2 THR A 32 -8.883 -8.329 12.312 1.00 0.00 C ATOM 0 H THR A 32 -7.944 -5.856 10.269 1.00 0.00 H new ATOM 0 HA THR A 32 -6.868 -8.591 10.510 1.00 0.00 H new ATOM 0 HB THR A 32 -9.236 -9.343 10.467 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.871 -7.689 10.809 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.840 -8.619 12.746 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.114 -9.036 12.624 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.617 -7.329 12.655 1.00 0.00 H new ATOM 467 N TYR A 33 -7.083 -7.184 7.913 1.00 0.00 N ATOM 468 CA TYR A 33 -7.112 -7.204 6.455 1.00 0.00 C ATOM 469 C TYR A 33 -5.797 -6.693 5.877 1.00 0.00 C ATOM 470 O TYR A 33 -4.981 -6.103 6.586 1.00 0.00 O ATOM 471 CB TYR A 33 -8.275 -6.356 5.936 1.00 0.00 C ATOM 472 CG TYR A 33 -9.560 -7.132 5.762 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.304 -7.537 6.864 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.031 -7.461 4.497 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.479 -8.248 6.710 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.206 -8.169 4.334 1.00 0.00 C ATOM 477 CZ TYR A 33 -11.926 -8.561 5.443 1.00 0.00 C ATOM 478 OH TYR A 33 -13.096 -9.268 5.285 1.00 0.00 O ATOM 0 H TYR A 33 -6.499 -6.450 8.313 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.252 -8.236 6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.449 -5.532 6.627 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.994 -5.916 4.979 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.958 -7.292 7.857 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.469 -7.158 3.626 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.044 -8.557 7.577 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.559 -8.414 3.343 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.269 -9.405 4.330 1.00 0.00 H new ATOM 488 N VAL A 34 -5.598 -6.922 4.583 1.00 0.00 N ATOM 489 CA VAL A 34 -4.382 -6.484 3.907 1.00 0.00 C ATOM 490 C VAL A 34 -4.639 -6.227 2.426 1.00 0.00 C ATOM 491 O VAL A 34 -5.080 -7.117 1.699 1.00 0.00 O ATOM 492 CB VAL A 34 -3.255 -7.524 4.048 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.753 -7.575 5.483 1.00 0.00 C ATOM 494 CG2 VAL A 34 -3.734 -8.894 3.593 1.00 0.00 C ATOM 0 H VAL A 34 -6.263 -7.408 3.982 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.071 -5.555 4.386 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.425 -7.224 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.957 -8.315 5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.369 -6.596 5.769 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.573 -7.850 6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.925 -9.616 3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.581 -9.205 4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.040 -8.844 2.548 1.00 0.00 H new ATOM 504 N ASN A 35 -4.360 -5.005 1.985 1.00 0.00 N ATOM 505 CA ASN A 35 -4.561 -4.631 0.590 1.00 0.00 C ATOM 506 C ASN A 35 -3.464 -5.217 -0.293 1.00 0.00 C ATOM 507 O ASN A 35 -2.303 -4.817 -0.206 1.00 0.00 O ATOM 508 CB ASN A 35 -4.587 -3.108 0.448 1.00 0.00 C ATOM 509 CG ASN A 35 -5.015 -2.664 -0.938 1.00 0.00 C ATOM 510 OD1 ASN A 35 -4.760 -3.350 -1.928 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.669 -1.511 -1.014 1.00 0.00 N ATOM 0 H ASN A 35 -3.994 -4.257 2.574 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.519 -5.036 0.265 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.269 -2.688 1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.596 -2.709 0.665 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.982 -1.161 -1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.859 -0.975 -0.167 1.00 0.00 H new ATOM 518 N MET A 36 -3.841 -6.166 -1.144 1.00 0.00 N ATOM 519 CA MET A 36 -2.890 -6.805 -2.046 1.00 0.00 C ATOM 520 C MET A 36 -2.467 -5.850 -3.157 1.00 0.00 C ATOM 521 O MET A 36 -1.373 -5.968 -3.709 1.00 0.00 O ATOM 522 CB MET A 36 -3.499 -8.072 -2.649 1.00 0.00 C ATOM 523 CG MET A 36 -3.922 -9.098 -1.610 1.00 0.00 C ATOM 524 SD MET A 36 -2.720 -9.274 -0.279 1.00 0.00 S ATOM 525 CE MET A 36 -1.264 -9.767 -1.199 1.00 0.00 C ATOM 0 H MET A 36 -4.798 -6.509 -1.228 1.00 0.00 H new ATOM 0 HA MET A 36 -2.006 -7.075 -1.469 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.366 -7.798 -3.250 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.774 -8.528 -3.324 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.885 -8.807 -1.189 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.065 -10.063 -2.095 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.555 -10.249 -0.526 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.550 -10.465 -1.986 1.00 0.00 H new ATOM 0 HE3 MET A 36 -0.800 -8.887 -1.645 1.00 0.00 H new ATOM 535 N THR A 37 -3.343 -4.904 -3.483 1.00 0.00 N ATOM 536 CA THR A 37 -3.061 -3.930 -4.530 1.00 0.00 C ATOM 537 C THR A 37 -1.989 -2.941 -4.087 1.00 0.00 C ATOM 538 O THR A 37 -0.988 -2.744 -4.776 1.00 0.00 O ATOM 539 CB THR A 37 -4.329 -3.150 -4.928 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.316 -4.051 -5.443 1.00 0.00 O ATOM 541 CG2 THR A 37 -4.008 -2.091 -5.971 1.00 0.00 C ATOM 0 H THR A 37 -4.253 -4.792 -3.037 1.00 0.00 H new ATOM 0 HA THR A 37 -2.701 -4.490 -5.393 1.00 0.00 H new ATOM 0 HB THR A 37 -4.718 -2.654 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.052 -3.539 -5.838 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.919 -1.554 -6.236 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.278 -1.390 -5.565 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.597 -2.569 -6.860 1.00 0.00 H new ATOM 549 N VAL A 38 -2.204 -2.320 -2.931 1.00 0.00 N ATOM 550 CA VAL A 38 -1.254 -1.353 -2.394 1.00 0.00 C ATOM 551 C VAL A 38 -0.150 -2.046 -1.604 1.00 0.00 C ATOM 552 O VAL A 38 0.988 -1.581 -1.569 1.00 0.00 O ATOM 553 CB VAL A 38 -1.953 -0.325 -1.485 1.00 0.00 C ATOM 554 CG1 VAL A 38 -0.970 0.743 -1.031 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.140 0.300 -2.202 1.00 0.00 C ATOM 0 H VAL A 38 -3.028 -2.470 -2.349 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.815 -0.834 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.324 -0.842 -0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.482 1.460 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.156 0.276 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.566 1.259 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.622 1.024 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.796 0.803 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.854 -0.479 -2.470 1.00 0.00 H new ATOM 565 N GLY A 39 -0.495 -3.163 -0.971 1.00 0.00 N ATOM 566 CA GLY A 39 0.479 -3.904 -0.190 1.00 0.00 C ATOM 567 C GLY A 39 0.540 -3.438 1.251 1.00 0.00 C ATOM 568 O GLY A 39 1.582 -3.540 1.900 1.00 0.00 O ATOM 0 H GLY A 39 -1.431 -3.568 -0.985 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.230 -4.965 -0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.463 -3.797 -0.646 1.00 0.00 H new ATOM 572 N SER A 40 -0.578 -2.924 1.754 1.00 0.00 N ATOM 573 CA SER A 40 -0.645 -2.436 3.126 1.00 0.00 C ATOM 574 C SER A 40 -1.552 -3.322 3.974 1.00 0.00 C ATOM 575 O SER A 40 -2.145 -4.279 3.477 1.00 0.00 O ATOM 576 CB SER A 40 -1.153 -0.993 3.152 1.00 0.00 C ATOM 577 OG SER A 40 -2.563 -0.946 3.023 1.00 0.00 O ATOM 0 H SER A 40 -1.450 -2.835 1.232 1.00 0.00 H new ATOM 0 HA SER A 40 0.360 -2.467 3.546 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.854 -0.516 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.692 -0.427 2.343 1.00 0.00 H new ATOM 0 HG SER A 40 -2.889 -0.068 3.313 1.00 0.00 H new ATOM 583 N PHE A 41 -1.656 -2.995 5.258 1.00 0.00 N ATOM 584 CA PHE A 41 -2.490 -3.761 6.177 1.00 0.00 C ATOM 585 C PHE A 41 -3.699 -2.944 6.624 1.00 0.00 C ATOM 586 O PHE A 41 -3.559 -1.925 7.300 1.00 0.00 O ATOM 587 CB PHE A 41 -1.675 -4.195 7.397 1.00 0.00 C ATOM 588 CG PHE A 41 -0.801 -5.389 7.140 1.00 0.00 C ATOM 589 CD1 PHE A 41 0.258 -5.311 6.251 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.039 -6.591 7.788 1.00 0.00 C ATOM 591 CE1 PHE A 41 1.064 -6.408 6.012 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.236 -7.691 7.554 1.00 0.00 C ATOM 593 CZ PHE A 41 0.816 -7.600 6.664 1.00 0.00 C ATOM 0 H PHE A 41 -1.173 -2.205 5.686 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.846 -4.647 5.652 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.052 -3.362 7.723 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.356 -4.423 8.217 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.456 -4.381 5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.861 -6.669 8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.887 -6.333 5.316 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.431 -8.621 8.067 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.443 -8.459 6.478 1.00 0.00 H new ATOM 603 N VAL A 42 -4.887 -3.399 6.240 1.00 0.00 N ATOM 604 CA VAL A 42 -6.122 -2.712 6.600 1.00 0.00 C ATOM 605 C VAL A 42 -7.033 -3.614 7.425 1.00 0.00 C ATOM 606 O VAL A 42 -6.664 -4.737 7.771 1.00 0.00 O ATOM 607 CB VAL A 42 -6.885 -2.236 5.349 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.083 -1.181 4.603 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.206 -3.414 4.442 1.00 0.00 C ATOM 0 H VAL A 42 -5.021 -4.241 5.679 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.839 -1.844 7.196 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.825 -1.785 5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.638 -0.857 3.723 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.909 -0.326 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.126 -1.602 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.745 -3.060 3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.279 -3.896 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.824 -4.131 4.982 1.00 0.00 H new ATOM 619 N CYS A 43 -8.224 -3.116 7.737 1.00 0.00 N ATOM 620 CA CYS A 43 -9.190 -3.877 8.521 1.00 0.00 C ATOM 621 C CYS A 43 -10.421 -4.217 7.687 1.00 0.00 C ATOM 622 O CYS A 43 -10.542 -3.796 6.536 1.00 0.00 O ATOM 623 CB CYS A 43 -9.604 -3.086 9.764 1.00 0.00 C ATOM 624 SG CYS A 43 -10.599 -1.603 9.404 1.00 0.00 S ATOM 0 H CYS A 43 -8.544 -2.188 7.459 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.716 -4.808 8.832 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.172 -3.740 10.425 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.707 -2.786 10.306 1.00 0.00 H new ATOM 629 N THR A 44 -11.335 -4.982 8.276 1.00 0.00 N ATOM 630 CA THR A 44 -12.557 -5.380 7.589 1.00 0.00 C ATOM 631 C THR A 44 -13.377 -4.163 7.176 1.00 0.00 C ATOM 632 O THR A 44 -13.923 -4.116 6.074 1.00 0.00 O ATOM 633 CB THR A 44 -13.427 -6.295 8.472 1.00 0.00 C ATOM 634 OG1 THR A 44 -12.593 -7.155 9.256 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.370 -7.131 7.621 1.00 0.00 C ATOM 0 H THR A 44 -11.252 -5.338 9.228 1.00 0.00 H new ATOM 0 HA THR A 44 -12.253 -5.930 6.698 1.00 0.00 H new ATOM 0 HB THR A 44 -14.023 -5.666 9.133 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.798 -7.400 8.738 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.974 -7.769 8.267 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.023 -6.473 7.048 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.790 -7.751 6.938 1.00 0.00 H new ATOM 643 N SER A 45 -13.458 -3.180 8.067 1.00 0.00 N ATOM 644 CA SER A 45 -14.214 -1.963 7.796 1.00 0.00 C ATOM 645 C SER A 45 -13.705 -1.277 6.532 1.00 0.00 C ATOM 646 O SER A 45 -14.426 -1.160 5.540 1.00 0.00 O ATOM 647 CB SER A 45 -14.121 -1.003 8.983 1.00 0.00 C ATOM 648 OG SER A 45 -15.212 -0.099 8.996 1.00 0.00 O ATOM 0 H SER A 45 -13.009 -3.203 8.983 1.00 0.00 H new ATOM 0 HA SER A 45 -15.257 -2.240 7.644 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.104 -1.571 9.913 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.185 -0.447 8.932 1.00 0.00 H new ATOM 0 HG SER A 45 -15.129 0.502 9.765 1.00 0.00 H new ATOM 654 N CYS A 46 -12.456 -0.824 6.575 1.00 0.00 N ATOM 655 CA CYS A 46 -11.848 -0.149 5.435 1.00 0.00 C ATOM 656 C CYS A 46 -11.872 -1.041 4.197 1.00 0.00 C ATOM 657 O CYS A 46 -12.377 -0.648 3.146 1.00 0.00 O ATOM 658 CB CYS A 46 -10.407 0.250 5.761 1.00 0.00 C ATOM 659 SG CYS A 46 -10.257 1.435 7.137 1.00 0.00 S ATOM 0 H CYS A 46 -11.846 -0.912 7.387 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.429 0.749 5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.839 -0.648 6.005 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.951 0.683 4.871 1.00 0.00 H new ATOM 664 N SER A 47 -11.323 -2.244 4.331 1.00 0.00 N ATOM 665 CA SER A 47 -11.278 -3.192 3.224 1.00 0.00 C ATOM 666 C SER A 47 -12.563 -3.129 2.403 1.00 0.00 C ATOM 667 O SER A 47 -12.542 -3.290 1.184 1.00 0.00 O ATOM 668 CB SER A 47 -11.064 -4.613 3.749 1.00 0.00 C ATOM 669 OG SER A 47 -12.248 -5.123 4.337 1.00 0.00 O ATOM 0 H SER A 47 -10.903 -2.585 5.196 1.00 0.00 H new ATOM 0 HA SER A 47 -10.441 -2.921 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.751 -5.263 2.932 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.259 -4.615 4.484 1.00 0.00 H new ATOM 0 HG SER A 47 -12.696 -4.411 4.841 1.00 0.00 H new ATOM 675 N GLY A 48 -13.681 -2.893 3.083 1.00 0.00 N ATOM 676 CA GLY A 48 -14.960 -2.813 2.402 1.00 0.00 C ATOM 677 C GLY A 48 -15.115 -1.532 1.606 1.00 0.00 C ATOM 678 O GLY A 48 -15.654 -1.542 0.500 1.00 0.00 O ATOM 0 H GLY A 48 -13.724 -2.756 4.093 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.066 -3.667 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.763 -2.881 3.136 1.00 0.00 H new ATOM 682 N SER A 49 -14.642 -0.426 2.172 1.00 0.00 N ATOM 683 CA SER A 49 -14.735 0.870 1.510 1.00 0.00 C ATOM 684 C SER A 49 -13.850 0.911 0.268 1.00 0.00 C ATOM 685 O SER A 49 -14.312 1.234 -0.827 1.00 0.00 O ATOM 686 CB SER A 49 -14.333 1.988 2.474 1.00 0.00 C ATOM 687 OG SER A 49 -15.448 2.443 3.222 1.00 0.00 O ATOM 0 H SER A 49 -14.191 -0.401 3.087 1.00 0.00 H new ATOM 0 HA SER A 49 -15.770 1.020 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.559 1.627 3.152 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.904 2.819 1.914 1.00 0.00 H new ATOM 0 HG SER A 49 -15.164 3.156 3.832 1.00 0.00 H new ATOM 693 N LEU A 50 -12.576 0.582 0.447 1.00 0.00 N ATOM 694 CA LEU A 50 -11.624 0.580 -0.659 1.00 0.00 C ATOM 695 C LEU A 50 -12.261 0.018 -1.925 1.00 0.00 C ATOM 696 O LEU A 50 -12.108 0.578 -3.011 1.00 0.00 O ATOM 697 CB LEU A 50 -10.385 -0.238 -0.290 1.00 0.00 C ATOM 698 CG LEU A 50 -9.255 0.528 0.398 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.472 -0.392 1.322 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.334 1.161 -0.634 1.00 0.00 C ATOM 0 H LEU A 50 -12.178 0.313 1.347 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.327 1.611 -0.852 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.694 -1.054 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.989 -0.691 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.695 1.324 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.672 0.171 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.139 -0.797 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.043 -1.210 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.536 1.702 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.902 0.382 -1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.904 1.853 -1.254 1.00 0.00 H new ATOM 712 N ARG A 51 -12.977 -1.092 -1.778 1.00 0.00 N ATOM 713 CA ARG A 51 -13.638 -1.730 -2.910 1.00 0.00 C ATOM 714 C ARG A 51 -14.453 -0.715 -3.706 1.00 0.00 C ATOM 715 O ARG A 51 -14.424 -0.709 -4.936 1.00 0.00 O ATOM 716 CB ARG A 51 -14.546 -2.862 -2.426 1.00 0.00 C ATOM 717 CG ARG A 51 -13.789 -4.102 -1.980 1.00 0.00 C ATOM 718 CD ARG A 51 -14.738 -5.230 -1.605 1.00 0.00 C ATOM 719 NE ARG A 51 -15.734 -4.805 -0.625 1.00 0.00 N ATOM 720 CZ ARG A 51 -16.860 -5.467 -0.387 1.00 0.00 C ATOM 721 NH1 ARG A 51 -17.132 -6.581 -1.053 1.00 0.00 N ATOM 722 NH2 ARG A 51 -17.717 -5.017 0.521 1.00 0.00 N ATOM 0 H ARG A 51 -13.114 -1.568 -0.886 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.869 -2.144 -3.562 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.153 -2.500 -1.597 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.232 -3.134 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.127 -4.433 -2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -13.158 -3.857 -1.126 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.243 -5.592 -2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.166 -6.066 -1.202 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.555 -3.953 -0.094 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.475 -6.932 -1.750 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.998 -7.087 -0.868 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.511 -4.162 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.582 -5.527 0.703 1.00 0.00 H new ATOM 736 N GLY A 52 -15.180 0.141 -2.995 1.00 0.00 N ATOM 737 CA GLY A 52 -15.993 1.148 -3.652 1.00 0.00 C ATOM 738 C GLY A 52 -15.211 1.948 -4.674 1.00 0.00 C ATOM 739 O GLY A 52 -15.767 2.405 -5.673 1.00 0.00 O ATOM 0 H GLY A 52 -15.221 0.155 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.838 0.665 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.404 1.825 -2.903 1.00 0.00 H new ATOM 743 N LEU A 53 -13.918 2.121 -4.424 1.00 0.00 N ATOM 744 CA LEU A 53 -13.057 2.874 -5.330 1.00 0.00 C ATOM 745 C LEU A 53 -13.116 2.298 -6.741 1.00 0.00 C ATOM 746 O LEU A 53 -13.719 1.251 -6.970 1.00 0.00 O ATOM 747 CB LEU A 53 -11.615 2.862 -4.821 1.00 0.00 C ATOM 748 CG LEU A 53 -11.396 3.407 -3.409 1.00 0.00 C ATOM 749 CD1 LEU A 53 -9.981 3.111 -2.936 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.673 4.902 -3.365 1.00 0.00 C ATOM 0 H LEU A 53 -13.442 1.750 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.416 3.903 -5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.248 1.836 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.002 3.442 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.094 2.909 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.844 3.506 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.818 2.033 -2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.266 3.581 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.512 5.272 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.000 5.417 -4.051 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.705 5.090 -3.660 1.00 0.00 H new ATOM 762 N ASN A 54 -12.484 2.991 -7.683 1.00 0.00 N ATOM 763 CA ASN A 54 -12.463 2.547 -9.073 1.00 0.00 C ATOM 764 C ASN A 54 -11.128 2.883 -9.731 1.00 0.00 C ATOM 765 O ASN A 54 -10.758 4.048 -9.883 1.00 0.00 O ATOM 766 CB ASN A 54 -13.607 3.196 -9.854 1.00 0.00 C ATOM 767 CG ASN A 54 -13.594 2.816 -11.322 1.00 0.00 C ATOM 768 OD1 ASN A 54 -12.655 2.179 -11.801 1.00 0.00 O ATOM 769 ND2 ASN A 54 -14.638 3.205 -12.044 1.00 0.00 N ATOM 0 H ASN A 54 -11.980 3.861 -7.510 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.592 1.465 -9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.559 2.899 -9.413 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.537 4.280 -9.762 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.684 2.978 -13.037 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.394 3.731 -11.605 1.00 0.00 H new ATOM 776 N PRO A 55 -10.387 1.840 -10.131 1.00 0.00 N ATOM 777 CA PRO A 55 -10.817 0.449 -9.955 1.00 0.00 C ATOM 778 C PRO A 55 -10.806 0.020 -8.491 1.00 0.00 C ATOM 779 O PRO A 55 -10.126 0.611 -7.651 1.00 0.00 O ATOM 780 CB PRO A 55 -9.780 -0.346 -10.752 1.00 0.00 C ATOM 781 CG PRO A 55 -8.568 0.520 -10.768 1.00 0.00 C ATOM 782 CD PRO A 55 -9.072 1.937 -10.787 1.00 0.00 C ATOM 0 HA PRO A 55 -11.843 0.294 -10.289 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.573 -1.308 -10.283 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.132 -0.553 -11.763 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.947 0.338 -9.891 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.952 0.313 -11.643 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.403 2.609 -10.249 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.157 2.320 -11.804 1.00 0.00 H new ATOM 790 N PRO A 56 -11.577 -1.031 -8.176 1.00 0.00 N ATOM 791 CA PRO A 56 -11.672 -1.563 -6.814 1.00 0.00 C ATOM 792 C PRO A 56 -10.385 -2.248 -6.367 1.00 0.00 C ATOM 793 O PRO A 56 -9.933 -3.209 -6.990 1.00 0.00 O ATOM 794 CB PRO A 56 -12.813 -2.579 -6.908 1.00 0.00 C ATOM 795 CG PRO A 56 -12.834 -2.993 -8.339 1.00 0.00 C ATOM 796 CD PRO A 56 -12.414 -1.783 -9.127 1.00 0.00 C ATOM 0 HA PRO A 56 -11.844 -0.775 -6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.639 -3.432 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.763 -2.136 -6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.155 -3.827 -8.514 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.829 -3.325 -8.635 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.856 -2.060 -10.022 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.274 -1.199 -9.455 1.00 0.00 H new ATOM 804 N HIS A 57 -9.799 -1.747 -5.284 1.00 0.00 N ATOM 805 CA HIS A 57 -8.563 -2.312 -4.753 1.00 0.00 C ATOM 806 C HIS A 57 -8.753 -3.779 -4.378 1.00 0.00 C ATOM 807 O HIS A 57 -9.868 -4.300 -4.420 1.00 0.00 O ATOM 808 CB HIS A 57 -8.097 -1.518 -3.533 1.00 0.00 C ATOM 809 CG HIS A 57 -7.568 -0.157 -3.870 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.664 0.516 -3.077 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.821 0.655 -4.923 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.384 1.685 -3.627 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.073 1.793 -4.748 1.00 0.00 N ATOM 0 H HIS A 57 -10.160 -0.952 -4.757 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.801 -2.250 -5.530 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.930 -1.413 -2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.321 -2.083 -3.017 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.487 0.447 -5.747 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.707 2.426 -3.227 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.053 2.592 -5.381 1.00 0.00 H new ATOM 821 N ARG A 58 -7.659 -4.438 -4.013 1.00 0.00 N ATOM 822 CA ARG A 58 -7.705 -5.844 -3.632 1.00 0.00 C ATOM 823 C ARG A 58 -7.443 -6.013 -2.138 1.00 0.00 C ATOM 824 O ARG A 58 -6.352 -5.714 -1.652 1.00 0.00 O ATOM 825 CB ARG A 58 -6.679 -6.646 -4.435 1.00 0.00 C ATOM 826 CG ARG A 58 -7.126 -6.960 -5.853 1.00 0.00 C ATOM 827 CD ARG A 58 -5.946 -7.323 -6.741 1.00 0.00 C ATOM 828 NE ARG A 58 -6.349 -7.529 -8.130 1.00 0.00 N ATOM 829 CZ ARG A 58 -6.651 -6.539 -8.963 1.00 0.00 C ATOM 830 NH1 ARG A 58 -6.595 -5.281 -8.549 1.00 0.00 N ATOM 831 NH2 ARG A 58 -7.009 -6.807 -10.212 1.00 0.00 N ATOM 0 H ARG A 58 -6.729 -4.021 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.704 -6.221 -3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.744 -6.088 -4.473 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.472 -7.580 -3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.838 -7.785 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.646 -6.098 -6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.200 -6.530 -6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.473 -8.229 -6.363 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.401 -8.486 -8.480 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.320 -5.072 -7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.827 -4.522 -9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.053 -7.774 -10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.241 -6.046 -10.851 1.00 0.00 H new ATOM 845 N VAL A 59 -8.450 -6.492 -1.416 1.00 0.00 N ATOM 846 CA VAL A 59 -8.328 -6.701 0.022 1.00 0.00 C ATOM 847 C VAL A 59 -8.647 -8.144 0.397 1.00 0.00 C ATOM 848 O VAL A 59 -9.540 -8.764 -0.180 1.00 0.00 O ATOM 849 CB VAL A 59 -9.262 -5.760 0.807 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.634 -4.382 0.949 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.619 -5.668 0.127 1.00 0.00 C ATOM 0 H VAL A 59 -9.360 -6.743 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.294 -6.480 0.287 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.409 -6.172 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.308 -3.731 1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.687 -4.467 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.456 -3.960 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.266 -4.999 0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.494 -5.280 -0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.071 -6.659 0.082 1.00 0.00 H new ATOM 861 N LYS A 60 -7.911 -8.673 1.368 1.00 0.00 N ATOM 862 CA LYS A 60 -8.114 -10.043 1.824 1.00 0.00 C ATOM 863 C LYS A 60 -7.949 -10.144 3.337 1.00 0.00 C ATOM 864 O LYS A 60 -6.945 -9.699 3.892 1.00 0.00 O ATOM 865 CB LYS A 60 -7.129 -10.985 1.128 1.00 0.00 C ATOM 866 CG LYS A 60 -7.612 -11.481 -0.224 1.00 0.00 C ATOM 867 CD LYS A 60 -6.449 -11.819 -1.142 1.00 0.00 C ATOM 868 CE LYS A 60 -5.867 -13.187 -0.822 1.00 0.00 C ATOM 869 NZ LYS A 60 -6.729 -14.290 -1.329 1.00 0.00 N ATOM 0 H LYS A 60 -7.167 -8.173 1.855 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.132 -10.337 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.177 -10.470 0.998 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.941 -11.843 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.237 -12.364 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.236 -10.718 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.784 -11.798 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.673 -11.060 -1.043 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.874 -13.271 -1.263 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.747 -13.287 0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.732 -15.072 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.700 -13.940 -1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.358 -14.630 -2.239 1.00 0.00 H new ATOM 883 N SER A 61 -8.941 -10.733 3.998 1.00 0.00 N ATOM 884 CA SER A 61 -8.906 -10.890 5.447 1.00 0.00 C ATOM 885 C SER A 61 -7.624 -11.590 5.887 1.00 0.00 C ATOM 886 O SER A 61 -6.978 -12.280 5.097 1.00 0.00 O ATOM 887 CB SER A 61 -10.124 -11.683 5.925 1.00 0.00 C ATOM 888 OG SER A 61 -10.481 -11.322 7.247 1.00 0.00 O ATOM 0 H SER A 61 -9.778 -11.109 3.553 1.00 0.00 H new ATOM 0 HA SER A 61 -8.929 -9.897 5.896 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.965 -11.502 5.256 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.907 -12.750 5.882 1.00 0.00 H new ATOM 0 HG SER A 61 -10.809 -10.398 7.257 1.00 0.00 H new ATOM 894 N ILE A 62 -7.261 -11.407 7.152 1.00 0.00 N ATOM 895 CA ILE A 62 -6.057 -12.021 7.698 1.00 0.00 C ATOM 896 C ILE A 62 -6.355 -13.406 8.263 1.00 0.00 C ATOM 897 O ILE A 62 -5.546 -14.325 8.137 1.00 0.00 O ATOM 898 CB ILE A 62 -5.433 -11.150 8.804 1.00 0.00 C ATOM 899 CG1 ILE A 62 -5.019 -9.790 8.240 1.00 0.00 C ATOM 900 CG2 ILE A 62 -4.238 -11.859 9.425 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.631 -8.787 9.304 1.00 0.00 C ATOM 0 H ILE A 62 -7.784 -10.838 7.818 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.347 -12.112 6.876 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.179 -10.987 9.582 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.179 -9.929 7.559 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.842 -9.384 7.652 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.807 -11.231 10.205 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.561 -12.805 9.858 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.488 -12.049 8.657 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.349 -7.846 8.832 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.476 -8.619 9.971 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.788 -9.172 9.877 1.00 0.00 H new ATOM 913 N SER A 63 -7.521 -13.547 8.885 1.00 0.00 N ATOM 914 CA SER A 63 -7.925 -14.820 9.471 1.00 0.00 C ATOM 915 C SER A 63 -8.954 -15.522 8.590 1.00 0.00 C ATOM 916 O SER A 63 -8.806 -16.698 8.260 1.00 0.00 O ATOM 917 CB SER A 63 -8.500 -14.600 10.872 1.00 0.00 C ATOM 918 OG SER A 63 -9.633 -13.749 10.830 1.00 0.00 O ATOM 0 H SER A 63 -8.202 -12.796 8.996 1.00 0.00 H new ATOM 0 HA SER A 63 -7.042 -15.455 9.544 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.777 -15.559 11.309 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.737 -14.164 11.517 1.00 0.00 H new ATOM 0 HG SER A 63 -9.983 -13.625 11.737 1.00 0.00 H new ATOM 924 N MET A 64 -9.998 -14.790 8.214 1.00 0.00 N ATOM 925 CA MET A 64 -11.052 -15.342 7.370 1.00 0.00 C ATOM 926 C MET A 64 -10.488 -15.813 6.033 1.00 0.00 C ATOM 927 O MET A 64 -11.062 -16.683 5.377 1.00 0.00 O ATOM 928 CB MET A 64 -12.146 -14.297 7.136 1.00 0.00 C ATOM 929 CG MET A 64 -13.085 -14.125 8.319 1.00 0.00 C ATOM 930 SD MET A 64 -13.904 -15.662 8.785 1.00 0.00 S ATOM 931 CE MET A 64 -15.525 -15.413 8.064 1.00 0.00 C ATOM 0 H MET A 64 -10.137 -13.815 8.480 1.00 0.00 H new ATOM 0 HA MET A 64 -11.483 -16.201 7.884 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.679 -13.338 6.911 1.00 0.00 H new ATOM 0 HB3 MET A 64 -12.728 -14.582 6.259 1.00 0.00 H new ATOM 0 HG2 MET A 64 -12.523 -13.744 9.172 1.00 0.00 H new ATOM 0 HG3 MET A 64 -13.838 -13.376 8.074 1.00 0.00 H new ATOM 0 HE1 MET A 64 -16.151 -16.282 8.267 1.00 0.00 H new ATOM 0 HE2 MET A 64 -15.984 -14.525 8.499 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.427 -15.280 6.987 1.00 0.00 H new ATOM 941 N THR A 65 -9.361 -15.233 5.634 1.00 0.00 N ATOM 942 CA THR A 65 -8.720 -15.592 4.375 1.00 0.00 C ATOM 943 C THR A 65 -7.269 -16.004 4.595 1.00 0.00 C ATOM 944 O THR A 65 -6.600 -15.503 5.500 1.00 0.00 O ATOM 945 CB THR A 65 -8.765 -14.427 3.369 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.107 -13.946 3.235 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.239 -14.864 2.010 1.00 0.00 C ATOM 0 H THR A 65 -8.873 -14.512 6.165 1.00 0.00 H new ATOM 0 HA THR A 65 -9.276 -16.436 3.966 1.00 0.00 H new ATOM 0 HB THR A 65 -8.129 -13.626 3.746 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.126 -13.204 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.281 -14.024 1.316 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.207 -15.201 2.110 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.852 -15.681 1.628 1.00 0.00 H new ATOM 955 N THR A 66 -6.786 -16.919 3.760 1.00 0.00 N ATOM 956 CA THR A 66 -5.413 -17.399 3.863 1.00 0.00 C ATOM 957 C THR A 66 -4.514 -16.717 2.838 1.00 0.00 C ATOM 958 O THR A 66 -4.981 -15.932 2.013 1.00 0.00 O ATOM 959 CB THR A 66 -5.335 -18.924 3.665 1.00 0.00 C ATOM 960 OG1 THR A 66 -3.996 -19.379 3.891 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.777 -19.311 2.262 1.00 0.00 C ATOM 0 H THR A 66 -7.325 -17.343 3.005 1.00 0.00 H new ATOM 0 HA THR A 66 -5.066 -17.153 4.867 1.00 0.00 H new ATOM 0 HB THR A 66 -6.005 -19.396 4.383 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.958 -20.352 3.781 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.713 -20.393 2.146 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.806 -18.989 2.103 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.129 -18.829 1.530 1.00 0.00 H new ATOM 969 N PHE A 67 -3.222 -17.023 2.895 1.00 0.00 N ATOM 970 CA PHE A 67 -2.257 -16.439 1.971 1.00 0.00 C ATOM 971 C PHE A 67 -1.172 -17.449 1.608 1.00 0.00 C ATOM 972 O PHE A 67 -1.067 -18.512 2.220 1.00 0.00 O ATOM 973 CB PHE A 67 -1.622 -15.189 2.584 1.00 0.00 C ATOM 974 CG PHE A 67 -2.589 -14.055 2.768 1.00 0.00 C ATOM 975 CD1 PHE A 67 -2.955 -13.259 1.694 1.00 0.00 C ATOM 976 CD2 PHE A 67 -3.132 -13.784 4.014 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.844 -12.213 1.861 1.00 0.00 C ATOM 978 CE2 PHE A 67 -4.021 -12.740 4.186 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.378 -11.954 3.108 1.00 0.00 C ATOM 0 H PHE A 67 -2.819 -17.672 3.571 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.787 -16.159 1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.189 -15.448 3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.802 -14.857 1.946 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.541 -13.458 0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.857 -14.396 4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.121 -11.599 1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.436 -12.539 5.163 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.073 -11.138 3.240 1.00 0.00 H new ATOM 989 N THR A 68 -0.366 -17.108 0.607 1.00 0.00 N ATOM 990 CA THR A 68 0.710 -17.984 0.161 1.00 0.00 C ATOM 991 C THR A 68 2.048 -17.253 0.155 1.00 0.00 C ATOM 992 O THR A 68 2.106 -16.050 -0.100 1.00 0.00 O ATOM 993 CB THR A 68 0.435 -18.538 -1.250 1.00 0.00 C ATOM 994 OG1 THR A 68 1.515 -19.381 -1.665 1.00 0.00 O ATOM 995 CG2 THR A 68 0.255 -17.407 -2.250 1.00 0.00 C ATOM 0 H THR A 68 -0.438 -16.232 0.090 1.00 0.00 H new ATOM 0 HA THR A 68 0.755 -18.813 0.867 1.00 0.00 H new ATOM 0 HB THR A 68 -0.486 -19.120 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.331 -19.730 -2.562 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.062 -17.823 -3.239 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.587 -16.784 -1.948 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.161 -16.802 -2.282 1.00 0.00 H new ATOM 1003 N GLN A 69 3.119 -17.987 0.436 1.00 0.00 N ATOM 1004 CA GLN A 69 4.457 -17.406 0.462 1.00 0.00 C ATOM 1005 C GLN A 69 4.595 -16.309 -0.588 1.00 0.00 C ATOM 1006 O GLN A 69 4.979 -15.182 -0.275 1.00 0.00 O ATOM 1007 CB GLN A 69 5.511 -18.489 0.227 1.00 0.00 C ATOM 1008 CG GLN A 69 6.840 -18.202 0.906 1.00 0.00 C ATOM 1009 CD GLN A 69 7.662 -17.166 0.165 1.00 0.00 C ATOM 1010 OE1 GLN A 69 8.086 -17.388 -0.970 1.00 0.00 O ATOM 1011 NE2 GLN A 69 7.893 -16.026 0.804 1.00 0.00 N ATOM 0 H GLN A 69 3.087 -18.984 0.649 1.00 0.00 H new ATOM 0 HA GLN A 69 4.614 -16.964 1.446 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.127 -19.443 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.676 -18.597 -0.845 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.657 -17.855 1.923 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.412 -19.127 0.983 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.523 -15.884 1.744 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.441 -15.292 0.355 1.00 0.00 H new ATOM 1020 N GLN A 70 4.278 -16.646 -1.834 1.00 0.00 N ATOM 1021 CA GLN A 70 4.368 -15.688 -2.930 1.00 0.00 C ATOM 1022 C GLN A 70 3.788 -14.338 -2.523 1.00 0.00 C ATOM 1023 O GLN A 70 4.390 -13.294 -2.771 1.00 0.00 O ATOM 1024 CB GLN A 70 3.634 -16.221 -4.162 1.00 0.00 C ATOM 1025 CG GLN A 70 4.161 -17.560 -4.652 1.00 0.00 C ATOM 1026 CD GLN A 70 5.644 -17.525 -4.965 1.00 0.00 C ATOM 1027 OE1 GLN A 70 6.044 -17.297 -6.107 1.00 0.00 O ATOM 1028 NE2 GLN A 70 6.469 -17.750 -3.949 1.00 0.00 N ATOM 0 H GLN A 70 3.957 -17.574 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 70 5.422 -15.551 -3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.574 -16.321 -3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.716 -15.491 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.972 -18.320 -3.894 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.612 -17.857 -5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.094 -17.935 -3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.478 -17.738 -4.099 1.00 0.00 H new ATOM 1037 N GLU A 71 2.616 -14.368 -1.896 1.00 0.00 N ATOM 1038 CA GLU A 71 1.955 -13.145 -1.456 1.00 0.00 C ATOM 1039 C GLU A 71 2.612 -12.596 -0.193 1.00 0.00 C ATOM 1040 O GLU A 71 2.815 -11.388 -0.061 1.00 0.00 O ATOM 1041 CB GLU A 71 0.470 -13.406 -1.198 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.286 -13.886 -2.426 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.741 -14.195 -2.132 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -2.533 -13.241 -1.986 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.087 -15.392 -2.049 1.00 0.00 O ATOM 0 H GLU A 71 2.105 -15.225 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 71 2.054 -12.404 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.373 -14.150 -0.408 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.007 -12.490 -0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.230 -13.124 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.199 -14.779 -2.820 1.00 0.00 H new ATOM 1052 N ILE A 72 2.942 -13.490 0.733 1.00 0.00 N ATOM 1053 CA ILE A 72 3.576 -13.096 1.984 1.00 0.00 C ATOM 1054 C ILE A 72 4.754 -12.161 1.733 1.00 0.00 C ATOM 1055 O ILE A 72 4.780 -11.034 2.227 1.00 0.00 O ATOM 1056 CB ILE A 72 4.069 -14.322 2.776 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.900 -15.261 3.084 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.755 -13.882 4.061 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.758 -14.585 3.811 1.00 0.00 C ATOM 0 H ILE A 72 2.780 -14.493 0.640 1.00 0.00 H new ATOM 0 HA ILE A 72 2.819 -12.575 2.570 1.00 0.00 H new ATOM 0 HB ILE A 72 4.794 -14.862 2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.527 -15.682 2.150 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.262 -16.093 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.098 -14.759 4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.609 -13.249 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.051 -13.322 4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.965 -15.310 3.996 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.116 -14.188 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.369 -13.770 3.200 1.00 0.00 H new ATOM 1071 N GLU A 73 5.725 -12.635 0.960 1.00 0.00 N ATOM 1072 CA GLU A 73 6.906 -11.840 0.642 1.00 0.00 C ATOM 1073 C GLU A 73 6.510 -10.503 0.022 1.00 0.00 C ATOM 1074 O GLU A 73 6.891 -9.441 0.514 1.00 0.00 O ATOM 1075 CB GLU A 73 7.822 -12.607 -0.314 1.00 0.00 C ATOM 1076 CG GLU A 73 7.086 -13.596 -1.201 1.00 0.00 C ATOM 1077 CD GLU A 73 7.760 -13.788 -2.546 1.00 0.00 C ATOM 1078 OE1 GLU A 73 8.995 -13.973 -2.568 1.00 0.00 O ATOM 1079 OE2 GLU A 73 7.054 -13.754 -3.575 1.00 0.00 O ATOM 0 H GLU A 73 5.718 -13.565 0.542 1.00 0.00 H new ATOM 0 HA GLU A 73 7.443 -11.646 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.355 -11.894 -0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.573 -13.142 0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.021 -14.557 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.065 -13.248 -1.357 1.00 0.00 H new ATOM 1086 N PHE A 74 5.743 -10.564 -1.062 1.00 0.00 N ATOM 1087 CA PHE A 74 5.296 -9.359 -1.751 1.00 0.00 C ATOM 1088 C PHE A 74 4.772 -8.327 -0.757 1.00 0.00 C ATOM 1089 O PHE A 74 4.933 -7.121 -0.954 1.00 0.00 O ATOM 1090 CB PHE A 74 4.206 -9.702 -2.769 1.00 0.00 C ATOM 1091 CG PHE A 74 3.372 -8.522 -3.174 1.00 0.00 C ATOM 1092 CD1 PHE A 74 2.414 -8.006 -2.316 1.00 0.00 C ATOM 1093 CD2 PHE A 74 3.544 -7.927 -4.414 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.644 -6.920 -2.687 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.777 -6.840 -4.790 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.827 -6.336 -3.925 1.00 0.00 C ATOM 0 H PHE A 74 5.418 -11.435 -1.482 1.00 0.00 H new ATOM 0 HA PHE A 74 6.151 -8.932 -2.275 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.671 -10.130 -3.657 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.556 -10.469 -2.349 1.00 0.00 H new ATOM 0 HD1 PHE A 74 2.267 -8.458 -1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 74 4.286 -8.317 -5.095 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.900 -6.528 -2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.921 -6.386 -5.759 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.228 -5.486 -4.216 1.00 0.00 H new ATOM 1106 N LEU A 75 4.145 -8.807 0.311 1.00 0.00 N ATOM 1107 CA LEU A 75 3.596 -7.927 1.336 1.00 0.00 C ATOM 1108 C LEU A 75 4.692 -7.439 2.278 1.00 0.00 C ATOM 1109 O LEU A 75 4.572 -6.376 2.887 1.00 0.00 O ATOM 1110 CB LEU A 75 2.510 -8.654 2.132 1.00 0.00 C ATOM 1111 CG LEU A 75 1.094 -8.576 1.561 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.194 -9.608 2.222 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.524 -7.176 1.739 1.00 0.00 C ATOM 0 H LEU A 75 4.004 -9.801 0.490 1.00 0.00 H new ATOM 0 HA LEU A 75 3.156 -7.062 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.790 -9.704 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.495 -8.248 3.143 1.00 0.00 H new ATOM 0 HG LEU A 75 1.140 -8.795 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.810 -9.537 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.593 -10.607 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.153 -9.421 3.295 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.484 -7.139 1.327 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.492 -6.928 2.800 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.156 -6.457 1.218 1.00 0.00 H new ATOM 1125 N GLN A 76 5.760 -8.222 2.391 1.00 0.00 N ATOM 1126 CA GLN A 76 6.878 -7.868 3.258 1.00 0.00 C ATOM 1127 C GLN A 76 7.797 -6.860 2.576 1.00 0.00 C ATOM 1128 O GLN A 76 8.194 -5.861 3.176 1.00 0.00 O ATOM 1129 CB GLN A 76 7.669 -9.120 3.642 1.00 0.00 C ATOM 1130 CG GLN A 76 6.995 -9.961 4.714 1.00 0.00 C ATOM 1131 CD GLN A 76 7.968 -10.869 5.440 1.00 0.00 C ATOM 1132 OE1 GLN A 76 8.836 -10.404 6.180 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.827 -12.173 5.233 1.00 0.00 N ATOM 0 H GLN A 76 5.875 -9.105 1.894 1.00 0.00 H new ATOM 0 HA GLN A 76 6.475 -7.411 4.162 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.819 -9.732 2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.657 -8.822 3.994 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.510 -9.303 5.435 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.211 -10.565 4.257 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.094 -12.514 4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.452 -12.833 5.695 1.00 0.00 H new ATOM 1142 N LYS A 77 8.134 -7.129 1.319 1.00 0.00 N ATOM 1143 CA LYS A 77 9.006 -6.246 0.554 1.00 0.00 C ATOM 1144 C LYS A 77 8.431 -4.834 0.492 1.00 0.00 C ATOM 1145 O LYS A 77 9.131 -3.883 0.143 1.00 0.00 O ATOM 1146 CB LYS A 77 9.202 -6.791 -0.862 1.00 0.00 C ATOM 1147 CG LYS A 77 7.989 -6.608 -1.758 1.00 0.00 C ATOM 1148 CD LYS A 77 8.391 -6.457 -3.216 1.00 0.00 C ATOM 1149 CE LYS A 77 8.636 -7.808 -3.870 1.00 0.00 C ATOM 1150 NZ LYS A 77 9.382 -7.678 -5.151 1.00 0.00 N ATOM 0 H LYS A 77 7.816 -7.953 0.808 1.00 0.00 H new ATOM 0 HA LYS A 77 9.972 -6.204 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.058 -6.294 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.443 -7.852 -0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.323 -7.464 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.430 -5.728 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.608 -5.926 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.293 -5.850 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.197 -8.446 -3.187 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.681 -8.300 -4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.528 -8.621 -5.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.836 -7.091 -5.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.304 -7.231 -4.972 1.00 0.00 H new ATOM 1164 N HIS A 78 7.153 -4.705 0.833 1.00 0.00 N ATOM 1165 CA HIS A 78 6.485 -3.408 0.817 1.00 0.00 C ATOM 1166 C HIS A 78 6.150 -2.953 2.234 1.00 0.00 C ATOM 1167 O HIS A 78 6.819 -2.083 2.792 1.00 0.00 O ATOM 1168 CB HIS A 78 5.210 -3.478 -0.023 1.00 0.00 C ATOM 1169 CG HIS A 78 5.457 -3.374 -1.497 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.454 -4.465 -2.339 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.714 -2.299 -2.277 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.700 -4.066 -3.574 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.861 -2.755 -3.564 1.00 0.00 N ATOM 0 H HIS A 78 6.559 -5.482 1.124 1.00 0.00 H new ATOM 0 HA HIS A 78 7.165 -2.682 0.372 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.698 -4.417 0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.539 -2.675 0.282 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.288 -5.430 -2.053 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.790 -1.273 -1.949 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.759 -4.703 -4.444 1.00 0.00 H new ATOM 1181 N GLY A 79 5.110 -3.546 2.812 1.00 0.00 N ATOM 1182 CA GLY A 79 4.704 -3.187 4.158 1.00 0.00 C ATOM 1183 C GLY A 79 4.411 -1.707 4.300 1.00 0.00 C ATOM 1184 O GLY A 79 4.865 -0.898 3.493 1.00 0.00 O ATOM 0 H GLY A 79 4.541 -4.269 2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.816 -3.758 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.491 -3.467 4.858 1.00 0.00 H new ATOM 1188 N ASN A 80 3.649 -1.352 5.330 1.00 0.00 N ATOM 1189 CA ASN A 80 3.294 0.041 5.573 1.00 0.00 C ATOM 1190 C ASN A 80 4.540 0.884 5.825 1.00 0.00 C ATOM 1191 O ASN A 80 4.484 2.113 5.804 1.00 0.00 O ATOM 1192 CB ASN A 80 2.344 0.145 6.768 1.00 0.00 C ATOM 1193 CG ASN A 80 1.087 -0.683 6.582 1.00 0.00 C ATOM 1194 OD1 ASN A 80 1.014 -1.529 5.690 1.00 0.00 O ATOM 1195 ND2 ASN A 80 0.090 -0.443 7.425 1.00 0.00 N ATOM 0 H ASN A 80 3.266 -2.010 6.009 1.00 0.00 H new ATOM 0 HA ASN A 80 2.793 0.423 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.862 -0.183 7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.069 1.189 6.920 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.780 -0.969 7.348 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.194 0.268 8.149 1.00 0.00 H new ATOM 1202 N GLU A 81 5.663 0.214 6.063 1.00 0.00 N ATOM 1203 CA GLU A 81 6.923 0.902 6.319 1.00 0.00 C ATOM 1204 C GLU A 81 7.225 1.913 5.216 1.00 0.00 C ATOM 1205 O GLU A 81 7.296 3.117 5.464 1.00 0.00 O ATOM 1206 CB GLU A 81 8.068 -0.107 6.428 1.00 0.00 C ATOM 1207 CG GLU A 81 9.421 0.534 6.688 1.00 0.00 C ATOM 1208 CD GLU A 81 9.628 0.887 8.147 1.00 0.00 C ATOM 1209 OE1 GLU A 81 9.258 2.012 8.544 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.161 0.039 8.893 1.00 0.00 O ATOM 0 H GLU A 81 5.726 -0.804 6.084 1.00 0.00 H new ATOM 0 HA GLU A 81 6.829 1.438 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.847 -0.809 7.232 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.121 -0.685 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.209 -0.147 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.514 1.436 6.083 1.00 0.00 H new ATOM 1217 N VAL A 82 7.402 1.414 3.997 1.00 0.00 N ATOM 1218 CA VAL A 82 7.695 2.272 2.855 1.00 0.00 C ATOM 1219 C VAL A 82 6.415 2.698 2.144 1.00 0.00 C ATOM 1220 O VAL A 82 6.291 3.840 1.700 1.00 0.00 O ATOM 1221 CB VAL A 82 8.619 1.566 1.845 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.958 1.235 2.487 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.954 0.311 1.302 1.00 0.00 C ATOM 0 H VAL A 82 7.348 0.420 3.775 1.00 0.00 H new ATOM 0 HA VAL A 82 8.202 3.155 3.245 1.00 0.00 H new ATOM 0 HB VAL A 82 8.801 2.243 1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.598 0.737 1.758 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.438 2.154 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.799 0.576 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.621 -0.175 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.740 -0.372 2.124 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.023 0.580 0.802 1.00 0.00 H new ATOM 1233 N CYS A 83 5.467 1.774 2.042 1.00 0.00 N ATOM 1234 CA CYS A 83 4.195 2.054 1.384 1.00 0.00 C ATOM 1235 C CYS A 83 3.654 3.416 1.805 1.00 0.00 C ATOM 1236 O CYS A 83 3.597 4.349 1.003 1.00 0.00 O ATOM 1237 CB CYS A 83 3.176 0.962 1.715 1.00 0.00 C ATOM 1238 SG CYS A 83 3.186 -0.430 0.562 1.00 0.00 S ATOM 0 H CYS A 83 5.554 0.825 2.406 1.00 0.00 H new ATOM 0 HA CYS A 83 4.365 2.068 0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.373 0.589 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.179 1.402 1.728 1.00 0.00 H new ATOM 0 HG CYS A 83 2.071 -0.448 -0.106 1.00 0.00 H new ATOM 1244 N LYS A 84 3.254 3.524 3.067 1.00 0.00 N ATOM 1245 CA LYS A 84 2.716 4.772 3.596 1.00 0.00 C ATOM 1246 C LYS A 84 3.502 5.969 3.070 1.00 0.00 C ATOM 1247 O LYS A 84 2.972 6.789 2.321 1.00 0.00 O ATOM 1248 CB LYS A 84 2.751 4.759 5.126 1.00 0.00 C ATOM 1249 CG LYS A 84 1.852 5.804 5.764 1.00 0.00 C ATOM 1250 CD LYS A 84 1.293 5.323 7.093 1.00 0.00 C ATOM 1251 CE LYS A 84 0.795 6.484 7.940 1.00 0.00 C ATOM 1252 NZ LYS A 84 0.530 6.070 9.346 1.00 0.00 N ATOM 0 H LYS A 84 3.292 2.762 3.743 1.00 0.00 H new ATOM 0 HA LYS A 84 1.682 4.863 3.263 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.454 3.772 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.776 4.922 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.415 6.725 5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.031 6.041 5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.475 4.625 6.914 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.064 4.778 7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.535 7.284 7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.118 6.888 7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.192 6.889 9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.194 5.324 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.407 5.708 9.772 1.00 0.00 H new ATOM 1266 N GLN A 85 4.767 6.062 3.466 1.00 0.00 N ATOM 1267 CA GLN A 85 5.625 7.159 3.033 1.00 0.00 C ATOM 1268 C GLN A 85 5.451 7.430 1.543 1.00 0.00 C ATOM 1269 O GLN A 85 5.245 8.571 1.130 1.00 0.00 O ATOM 1270 CB GLN A 85 7.089 6.840 3.338 1.00 0.00 C ATOM 1271 CG GLN A 85 7.510 7.205 4.753 1.00 0.00 C ATOM 1272 CD GLN A 85 8.920 6.754 5.077 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.869 7.535 4.992 1.00 0.00 O ATOM 1274 NE2 GLN A 85 9.066 5.488 5.452 1.00 0.00 N ATOM 0 H GLN A 85 5.221 5.391 4.086 1.00 0.00 H new ATOM 0 HA GLN A 85 5.334 8.054 3.583 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.261 5.775 3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.723 7.373 2.630 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.440 8.285 4.882 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.816 6.754 5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.252 4.876 5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.992 5.128 5.683 1.00 0.00 H new ATOM 1283 N ILE A 86 5.535 6.374 0.740 1.00 0.00 N ATOM 1284 CA ILE A 86 5.386 6.499 -0.704 1.00 0.00 C ATOM 1285 C ILE A 86 4.106 7.246 -1.062 1.00 0.00 C ATOM 1286 O ILE A 86 4.075 8.022 -2.018 1.00 0.00 O ATOM 1287 CB ILE A 86 5.371 5.120 -1.390 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.727 4.430 -1.227 1.00 0.00 C ATOM 1289 CG2 ILE A 86 5.017 5.264 -2.862 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.685 2.943 -1.498 1.00 0.00 C ATOM 0 H ILE A 86 5.705 5.423 1.066 1.00 0.00 H new ATOM 0 HA ILE A 86 6.246 7.065 -1.062 1.00 0.00 H new ATOM 0 HB ILE A 86 4.611 4.502 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.445 4.894 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.090 4.596 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.011 4.281 -3.333 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.030 5.718 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.756 5.897 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.681 2.520 -1.364 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.992 2.466 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.352 2.769 -2.521 1.00 0.00 H new ATOM 1302 N TRP A 87 3.053 7.008 -0.289 1.00 0.00 N ATOM 1303 CA TRP A 87 1.770 7.661 -0.524 1.00 0.00 C ATOM 1304 C TRP A 87 1.712 9.015 0.174 1.00 0.00 C ATOM 1305 O TRP A 87 0.820 9.823 -0.088 1.00 0.00 O ATOM 1306 CB TRP A 87 0.626 6.772 -0.035 1.00 0.00 C ATOM 1307 CG TRP A 87 0.492 5.495 -0.809 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.966 4.266 -0.450 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.156 5.324 -2.074 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.652 3.340 -1.415 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.038 3.964 -2.422 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.827 6.186 -2.945 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.565 3.450 -3.603 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.349 5.674 -4.118 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.217 4.317 -4.438 1.00 0.00 C ATOM 0 H TRP A 87 3.062 6.368 0.505 1.00 0.00 H new ATOM 0 HA TRP A 87 1.663 7.822 -1.597 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.784 6.536 1.017 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.309 7.328 -0.100 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.508 4.053 0.459 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.893 2.349 -1.387 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.936 7.234 -2.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.463 2.404 -3.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.868 6.332 -4.800 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.638 3.947 -5.361 1.00 0.00 H new ATOM 1326 N LEU A 88 2.668 9.258 1.064 1.00 0.00 N ATOM 1327 CA LEU A 88 2.726 10.517 1.800 1.00 0.00 C ATOM 1328 C LEU A 88 3.981 11.304 1.436 1.00 0.00 C ATOM 1329 O LEU A 88 4.355 12.249 2.127 1.00 0.00 O ATOM 1330 CB LEU A 88 2.696 10.251 3.306 1.00 0.00 C ATOM 1331 CG LEU A 88 1.769 9.127 3.771 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.268 9.398 5.181 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.601 8.967 2.810 1.00 0.00 C ATOM 0 H LEU A 88 3.413 8.601 1.294 1.00 0.00 H new ATOM 0 HA LEU A 88 1.855 11.111 1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.709 10.018 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.401 11.171 3.811 1.00 0.00 H new ATOM 0 HG LEU A 88 2.335 8.196 3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.610 8.588 5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.116 9.462 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.718 10.339 5.197 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.048 8.163 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.035 9.897 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.978 8.726 1.816 1.00 0.00 H new ATOM 1345 N GLY A 89 4.626 10.907 0.343 1.00 0.00 N ATOM 1346 CA GLY A 89 5.830 11.587 -0.096 1.00 0.00 C ATOM 1347 C GLY A 89 5.618 13.075 -0.290 1.00 0.00 C ATOM 1348 O GLY A 89 6.468 13.885 0.083 1.00 0.00 O ATOM 0 H GLY A 89 4.336 10.126 -0.246 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.621 11.428 0.637 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.171 11.147 -1.033 1.00 0.00 H new ATOM 1352 N LEU A 90 4.482 13.438 -0.876 1.00 0.00 N ATOM 1353 CA LEU A 90 4.161 14.839 -1.121 1.00 0.00 C ATOM 1354 C LEU A 90 3.342 15.419 0.028 1.00 0.00 C ATOM 1355 O LEU A 90 3.350 16.627 0.263 1.00 0.00 O ATOM 1356 CB LEU A 90 3.391 14.985 -2.434 1.00 0.00 C ATOM 1357 CG LEU A 90 4.237 15.231 -3.684 1.00 0.00 C ATOM 1358 CD1 LEU A 90 3.356 15.290 -4.922 1.00 0.00 C ATOM 1359 CD2 LEU A 90 5.043 16.514 -3.539 1.00 0.00 C ATOM 0 H LEU A 90 3.768 12.781 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 90 5.097 15.393 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.803 14.081 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.686 15.809 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 90 4.933 14.400 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.976 15.466 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.824 14.345 -5.036 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.636 16.101 -4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.639 16.673 -4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.365 17.356 -3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.703 16.433 -2.676 1.00 0.00 H new ATOM 1371 N PHE A 91 2.636 14.549 0.743 1.00 0.00 N ATOM 1372 CA PHE A 91 1.813 14.973 1.869 1.00 0.00 C ATOM 1373 C PHE A 91 2.537 16.024 2.706 1.00 0.00 C ATOM 1374 O PHE A 91 3.447 15.705 3.471 1.00 0.00 O ATOM 1375 CB PHE A 91 1.447 13.772 2.743 1.00 0.00 C ATOM 1376 CG PHE A 91 0.307 14.040 3.684 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.452 14.934 4.732 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -0.909 13.397 3.520 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -0.595 15.182 5.599 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -1.960 13.641 4.384 1.00 0.00 C ATOM 1381 CZ PHE A 91 -1.803 14.535 5.425 1.00 0.00 C ATOM 0 H PHE A 91 2.618 13.545 0.562 1.00 0.00 H new ATOM 0 HA PHE A 91 0.899 15.416 1.472 1.00 0.00 H new ATOM 0 HB2 PHE A 91 1.187 12.931 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 91 2.322 13.473 3.321 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.394 15.443 4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.037 12.697 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.469 15.881 6.412 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.903 13.133 4.245 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.623 14.728 6.101 1.00 0.00 H new ATOM 1391 N ASP A 92 2.126 17.278 2.555 1.00 0.00 N ATOM 1392 CA ASP A 92 2.733 18.377 3.296 1.00 0.00 C ATOM 1393 C ASP A 92 1.688 19.118 4.124 1.00 0.00 C ATOM 1394 O ASP A 92 0.628 19.487 3.618 1.00 0.00 O ATOM 1395 CB ASP A 92 3.424 19.348 2.337 1.00 0.00 C ATOM 1396 CG ASP A 92 4.871 18.976 2.080 1.00 0.00 C ATOM 1397 OD1 ASP A 92 5.546 18.529 3.030 1.00 0.00 O ATOM 1398 OD2 ASP A 92 5.329 19.135 0.929 1.00 0.00 O ATOM 0 H ASP A 92 1.374 17.559 1.925 1.00 0.00 H new ATOM 0 HA ASP A 92 3.476 17.957 3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.883 19.366 1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.379 20.356 2.750 1.00 0.00 H new ATOM 1403 N ASP A 93 1.993 19.331 5.400 1.00 0.00 N ATOM 1404 CA ASP A 93 1.080 20.027 6.298 1.00 0.00 C ATOM 1405 C ASP A 93 0.304 21.109 5.553 1.00 0.00 C ATOM 1406 O ASP A 93 -0.905 20.992 5.351 1.00 0.00 O ATOM 1407 CB ASP A 93 1.852 20.647 7.464 1.00 0.00 C ATOM 1408 CG ASP A 93 2.943 19.734 7.987 1.00 0.00 C ATOM 1409 OD1 ASP A 93 3.929 19.509 7.255 1.00 0.00 O ATOM 1410 OD2 ASP A 93 2.811 19.243 9.128 1.00 0.00 O ATOM 0 H ASP A 93 2.866 19.031 5.835 1.00 0.00 H new ATOM 0 HA ASP A 93 0.369 19.299 6.689 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.295 21.590 7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.159 20.880 8.272 1.00 0.00 H new ATOM 1415 N ARG A 94 1.007 22.161 5.148 1.00 0.00 N ATOM 1416 CA ARG A 94 0.384 23.265 4.427 1.00 0.00 C ATOM 1417 C ARG A 94 -1.030 23.521 4.942 1.00 0.00 C ATOM 1418 O ARG A 94 -1.953 23.751 4.161 1.00 0.00 O ATOM 1419 CB ARG A 94 0.346 22.966 2.928 1.00 0.00 C ATOM 1420 CG ARG A 94 1.654 23.267 2.214 1.00 0.00 C ATOM 1421 CD ARG A 94 1.528 23.062 0.712 1.00 0.00 C ATOM 1422 NE ARG A 94 1.029 24.257 0.037 1.00 0.00 N ATOM 1423 CZ ARG A 94 1.793 25.298 -0.277 1.00 0.00 C ATOM 1424 NH1 ARG A 94 3.085 25.290 0.023 1.00 0.00 N ATOM 1425 NH2 ARG A 94 1.265 26.349 -0.891 1.00 0.00 N ATOM 0 H ARG A 94 2.008 22.273 5.307 1.00 0.00 H new ATOM 0 HA ARG A 94 0.982 24.161 4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.095 21.915 2.782 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.451 23.551 2.469 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.953 24.295 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.441 22.622 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.500 22.792 0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.856 22.227 0.515 1.00 0.00 H new ATOM 0 HE ARG A 94 0.039 24.295 -0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.494 24.484 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.670 26.090 -0.219 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.272 26.359 -1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.852 27.147 -1.131 1.00 0.00 H new ATOM 1439 N SER A 95 -1.191 23.478 6.261 1.00 0.00 N ATOM 1440 CA SER A 95 -2.492 23.701 6.879 1.00 0.00 C ATOM 1441 C SER A 95 -3.440 22.542 6.584 1.00 0.00 C ATOM 1442 O SER A 95 -4.610 22.748 6.264 1.00 0.00 O ATOM 1443 CB SER A 95 -3.101 25.012 6.378 1.00 0.00 C ATOM 1444 OG SER A 95 -4.027 25.536 7.315 1.00 0.00 O ATOM 0 H SER A 95 -0.437 23.291 6.922 1.00 0.00 H new ATOM 0 HA SER A 95 -2.347 23.764 7.958 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.309 25.739 6.199 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.600 24.843 5.424 1.00 0.00 H new ATOM 0 HG SER A 95 -4.401 26.374 6.972 1.00 0.00 H new ATOM 1450 N SER A 96 -2.924 21.322 6.695 1.00 0.00 N ATOM 1451 CA SER A 96 -3.721 20.129 6.437 1.00 0.00 C ATOM 1452 C SER A 96 -3.781 19.237 7.674 1.00 0.00 C ATOM 1453 O SER A 96 -2.849 19.207 8.476 1.00 0.00 O ATOM 1454 CB SER A 96 -3.140 19.346 5.258 1.00 0.00 C ATOM 1455 OG SER A 96 -3.115 20.138 4.083 1.00 0.00 O ATOM 0 H SER A 96 -1.958 21.134 6.962 1.00 0.00 H new ATOM 0 HA SER A 96 -4.734 20.446 6.189 1.00 0.00 H new ATOM 0 HB2 SER A 96 -2.130 19.016 5.499 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.735 18.450 5.084 1.00 0.00 H new ATOM 0 HG SER A 96 -2.340 20.738 4.109 1.00 0.00 H new ATOM 1461 N ALA A 97 -4.886 18.512 7.820 1.00 0.00 N ATOM 1462 CA ALA A 97 -5.068 17.619 8.957 1.00 0.00 C ATOM 1463 C ALA A 97 -5.702 16.301 8.523 1.00 0.00 C ATOM 1464 O ALA A 97 -6.359 16.230 7.484 1.00 0.00 O ATOM 1465 CB ALA A 97 -5.918 18.290 10.025 1.00 0.00 C ATOM 0 H ALA A 97 -5.668 18.526 7.165 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.086 17.399 9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.046 17.611 10.868 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.424 19.201 10.364 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.894 18.540 9.609 1.00 0.00 H new ATOM 1471 N ILE A 98 -5.501 15.261 9.325 1.00 0.00 N ATOM 1472 CA ILE A 98 -6.054 13.947 9.024 1.00 0.00 C ATOM 1473 C ILE A 98 -7.554 13.907 9.294 1.00 0.00 C ATOM 1474 O ILE A 98 -8.042 14.411 10.305 1.00 0.00 O ATOM 1475 CB ILE A 98 -5.366 12.844 9.849 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -3.867 12.809 9.545 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -6.002 11.492 9.561 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -3.552 12.556 8.087 1.00 0.00 C ATOM 0 H ILE A 98 -4.959 15.303 10.188 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.873 13.764 7.965 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.498 13.067 10.908 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.421 13.757 9.845 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.400 12.032 10.150 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.505 10.723 10.152 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.059 11.524 9.823 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.898 11.259 8.501 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.471 12.544 7.945 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.968 11.594 7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.990 13.347 7.478 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.306 13.291 8.369 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.762 13.167 8.485 1.00 0.00 C ATOM 1492 C PRO A 99 -10.175 12.211 9.599 1.00 0.00 C ATOM 1493 O PRO A 99 -9.333 11.546 10.203 1.00 0.00 O ATOM 1494 CB PRO A 99 -10.181 12.613 7.121 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.975 11.901 6.615 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.791 12.667 7.138 1.00 0.00 C ATOM 0 HA PRO A 99 -10.233 14.117 8.737 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -11.031 11.937 7.213 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.482 13.413 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.957 10.868 6.964 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.969 11.870 5.525 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.946 12.010 7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.447 13.414 6.422 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.475 12.147 9.865 1.00 0.00 N ATOM 1505 CA ASP A 100 -12.000 11.271 10.905 1.00 0.00 C ATOM 1506 C ASP A 100 -12.104 9.834 10.404 1.00 0.00 C ATOM 1507 O ASP A 100 -12.134 9.587 9.198 1.00 0.00 O ATOM 1508 CB ASP A 100 -13.372 11.762 11.371 1.00 0.00 C ATOM 1509 CG ASP A 100 -14.072 10.760 12.268 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -13.582 10.525 13.392 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -15.110 10.210 11.845 1.00 0.00 O ATOM 0 H ASP A 100 -12.184 12.692 9.375 1.00 0.00 H new ATOM 0 HA ASP A 100 -11.309 11.294 11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.255 12.704 11.906 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.997 11.965 10.501 1.00 0.00 H new ATOM 1516 N PHE A 101 -12.158 8.889 11.337 1.00 0.00 N ATOM 1517 CA PHE A 101 -12.256 7.476 10.990 1.00 0.00 C ATOM 1518 C PHE A 101 -13.617 6.912 11.388 1.00 0.00 C ATOM 1519 O PHE A 101 -14.211 6.120 10.655 1.00 0.00 O ATOM 1520 CB PHE A 101 -11.143 6.682 11.676 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.804 7.362 11.627 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -9.228 7.701 10.413 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -9.122 7.662 12.795 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.997 8.327 10.365 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.891 8.289 12.753 1.00 0.00 C ATOM 1526 CZ PHE A 101 -7.327 8.620 11.537 1.00 0.00 C ATOM 0 H PHE A 101 -12.136 9.076 12.339 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.145 7.384 9.910 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.417 6.512 12.717 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -11.062 5.703 11.204 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.747 7.473 9.494 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.557 7.403 13.749 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.559 8.587 9.412 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.371 8.520 13.671 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.364 9.107 11.502 1.00 0.00 H new ATOM 1536 N ARG A 102 -14.105 7.326 12.553 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.395 6.861 13.049 1.00 0.00 C ATOM 1538 C ARG A 102 -16.439 6.864 11.936 1.00 0.00 C ATOM 1539 O ARG A 102 -17.404 6.101 11.975 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.866 7.741 14.208 1.00 0.00 C ATOM 1541 CG ARG A 102 -15.013 7.610 15.459 1.00 0.00 C ATOM 1542 CD ARG A 102 -15.203 6.255 16.123 1.00 0.00 C ATOM 1543 NE ARG A 102 -14.628 6.218 17.465 1.00 0.00 N ATOM 1544 CZ ARG A 102 -15.246 6.689 18.542 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -16.452 7.231 18.436 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -14.658 6.620 19.730 1.00 0.00 N ATOM 0 H ARG A 102 -13.627 7.982 13.171 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.272 5.838 13.405 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.865 8.782 13.886 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.897 7.484 14.453 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.963 7.746 15.201 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -15.273 8.401 16.163 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -16.267 6.024 16.178 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -14.740 5.482 15.509 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.701 5.808 17.581 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.908 7.287 17.525 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -16.924 7.592 19.265 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -13.730 6.205 19.817 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.134 6.982 20.556 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.238 7.727 10.947 1.00 0.00 N ATOM 1561 CA ASP A 103 -17.162 7.829 9.822 1.00 0.00 C ATOM 1562 C ASP A 103 -16.489 7.392 8.525 1.00 0.00 C ATOM 1563 O ASP A 103 -15.484 7.960 8.097 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.677 9.263 9.687 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.667 9.628 10.776 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -19.706 8.943 10.887 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -18.403 10.597 11.516 1.00 0.00 O ATOM 0 H ASP A 103 -15.444 8.366 10.901 1.00 0.00 H new ATOM 0 HA ASP A 103 -18.005 7.165 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.834 9.953 9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -18.151 9.385 8.713 1.00 0.00 H new ATOM 1572 N PRO A 104 -17.054 6.359 7.883 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.525 5.823 6.626 1.00 0.00 C ATOM 1574 C PRO A 104 -16.723 6.782 5.458 1.00 0.00 C ATOM 1575 O PRO A 104 -16.045 6.677 4.436 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.342 4.546 6.413 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.614 4.783 7.151 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.253 5.634 8.336 1.00 0.00 C ATOM 0 HA PRO A 104 -15.449 5.654 6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.526 4.366 5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -16.818 3.672 6.798 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.345 5.286 6.518 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -19.062 3.841 7.469 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -19.060 6.318 8.601 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -18.047 5.028 9.218 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.654 7.717 5.617 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.940 8.695 4.574 1.00 0.00 C ATOM 1588 C GLN A 105 -16.775 9.665 4.403 1.00 0.00 C ATOM 1589 O GLN A 105 -16.366 9.969 3.283 1.00 0.00 O ATOM 1590 CB GLN A 105 -19.218 9.468 4.907 1.00 0.00 C ATOM 1591 CG GLN A 105 -20.487 8.774 4.439 1.00 0.00 C ATOM 1592 CD GLN A 105 -20.529 7.310 4.829 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -19.846 6.477 4.233 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -21.334 6.988 5.835 1.00 0.00 N ATOM 0 H GLN A 105 -18.223 7.818 6.458 1.00 0.00 H new ATOM 0 HA GLN A 105 -18.082 8.158 3.636 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.272 9.618 5.985 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -19.165 10.456 4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -21.353 9.284 4.862 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -20.565 8.860 3.355 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -21.882 7.711 6.301 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -21.404 6.018 6.142 1.00 0.00 H new ATOM 1603 N LYS A 106 -16.245 10.148 5.522 1.00 0.00 N ATOM 1604 CA LYS A 106 -15.126 11.083 5.497 1.00 0.00 C ATOM 1605 C LYS A 106 -13.863 10.407 4.974 1.00 0.00 C ATOM 1606 O LYS A 106 -13.184 10.934 4.093 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.874 11.646 6.898 1.00 0.00 C ATOM 1608 CG LYS A 106 -16.020 12.488 7.430 1.00 0.00 C ATOM 1609 CD LYS A 106 -15.523 13.586 8.355 1.00 0.00 C ATOM 1610 CE LYS A 106 -16.550 13.921 9.426 1.00 0.00 C ATOM 1611 NZ LYS A 106 -17.719 14.652 8.863 1.00 0.00 N ATOM 0 H LYS A 106 -16.572 9.907 6.458 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.383 11.901 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.692 10.820 7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.968 12.251 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.564 12.932 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -16.723 11.850 7.966 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.593 13.271 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.298 14.480 7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.891 13.002 9.902 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.082 14.527 10.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -18.396 14.862 9.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.397 15.541 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.181 14.064 8.141 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.554 9.236 5.522 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.374 8.486 5.109 1.00 0.00 C ATOM 1627 C VAL A 107 -12.437 8.134 3.627 1.00 0.00 C ATOM 1628 O VAL A 107 -11.426 8.166 2.926 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.218 7.190 5.927 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -11.071 6.351 5.385 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.006 7.511 7.399 1.00 0.00 C ATOM 0 H VAL A 107 -14.105 8.786 6.253 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.512 9.128 5.291 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.136 6.610 5.834 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.976 5.440 5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.270 6.091 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.144 6.920 5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.898 6.584 7.962 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.104 8.113 7.514 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.864 8.067 7.777 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.633 7.798 3.155 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.831 7.442 1.755 1.00 0.00 C ATOM 1643 C LYS A 108 -13.248 8.509 0.834 1.00 0.00 C ATOM 1644 O LYS A 108 -12.405 8.217 -0.014 1.00 0.00 O ATOM 1645 CB LYS A 108 -15.321 7.257 1.460 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.621 6.975 -0.002 1.00 0.00 C ATOM 1647 CD LYS A 108 -17.052 6.502 -0.196 1.00 0.00 C ATOM 1648 CE LYS A 108 -17.259 5.909 -1.582 1.00 0.00 C ATOM 1649 NZ LYS A 108 -18.701 5.859 -1.953 1.00 0.00 N ATOM 0 H LYS A 108 -14.480 7.765 3.722 1.00 0.00 H new ATOM 0 HA LYS A 108 -13.311 6.503 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.703 6.435 2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.858 8.155 1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.452 7.877 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.932 6.217 -0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -17.296 5.756 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.736 7.338 -0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.715 6.503 -2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.841 4.903 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.801 5.449 -2.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -19.216 5.271 -1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -19.094 6.822 -1.948 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.701 9.747 1.009 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.223 10.857 0.193 1.00 0.00 C ATOM 1665 C GLU A 109 -11.700 10.948 0.236 1.00 0.00 C ATOM 1666 O GLU A 109 -11.026 10.752 -0.775 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.837 12.173 0.673 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.356 12.186 0.637 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.911 11.734 -0.700 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.662 12.426 -1.710 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -16.594 10.690 -0.738 1.00 0.00 O ATOM 0 H GLU A 109 -14.397 10.006 1.708 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.530 10.676 -0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.505 12.368 1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.460 12.987 0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.740 11.537 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.712 13.193 0.852 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.164 11.246 1.416 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.722 11.364 1.592 1.00 0.00 C ATOM 1680 C PHE A 110 -8.993 10.220 0.894 1.00 0.00 C ATOM 1681 O PHE A 110 -8.016 10.437 0.176 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.368 11.377 3.080 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.890 11.423 3.345 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.104 10.297 3.160 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.287 12.593 3.779 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.744 10.336 3.402 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.927 12.638 4.022 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.155 11.508 3.835 1.00 0.00 C ATOM 0 H PHE A 110 -11.707 11.410 2.264 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.402 12.303 1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.840 12.240 3.550 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.786 10.488 3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.560 9.378 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.886 13.479 3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.143 9.451 3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.468 13.556 4.358 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.093 11.541 4.027 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.474 9.001 1.111 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.869 7.820 0.504 1.00 0.00 C ATOM 1700 C LEU A 111 -8.742 7.989 -1.007 1.00 0.00 C ATOM 1701 O LEU A 111 -7.660 7.824 -1.570 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.700 6.576 0.822 1.00 0.00 C ATOM 1703 CG LEU A 111 -9.367 5.863 2.133 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -10.338 4.719 2.380 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.934 5.354 2.114 1.00 0.00 C ATOM 0 H LEU A 111 -10.281 8.804 1.703 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.870 7.698 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.752 6.862 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.580 5.865 0.005 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.466 6.579 2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -10.085 4.223 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.354 5.110 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -10.272 4.002 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.715 4.849 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.808 4.654 1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -7.251 6.194 1.985 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.854 8.320 -1.655 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.866 8.512 -3.100 1.00 0.00 C ATOM 1719 C GLN A 112 -8.753 9.461 -3.533 1.00 0.00 C ATOM 1720 O GLN A 112 -7.952 9.135 -4.408 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.221 9.059 -3.552 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.372 8.091 -3.328 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.707 8.659 -3.771 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.842 9.865 -3.981 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.701 7.791 -3.915 1.00 0.00 N ATOM 0 H GLN A 112 -10.757 8.461 -1.203 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.697 7.543 -3.570 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.427 9.986 -3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.168 9.309 -4.612 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.176 7.167 -3.872 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.424 7.833 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.544 6.800 -3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.622 8.115 -4.211 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.709 10.636 -2.912 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.694 11.632 -3.235 1.00 0.00 C ATOM 1736 C GLU A 113 -6.291 11.066 -3.028 1.00 0.00 C ATOM 1737 O GLU A 113 -5.301 11.658 -3.458 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.883 12.883 -2.374 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.267 13.499 -2.491 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.632 13.843 -3.922 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -9.016 14.772 -4.485 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.535 13.183 -4.479 1.00 0.00 O ATOM 0 H GLU A 113 -9.364 10.921 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.807 11.902 -4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.695 12.628 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.138 13.626 -2.659 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -10.005 12.805 -2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.312 14.401 -1.881 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.215 9.917 -2.365 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.936 9.269 -2.100 1.00 0.00 C ATOM 1751 C LYS A 114 -4.603 8.256 -3.191 1.00 0.00 C ATOM 1752 O LYS A 114 -3.442 8.089 -3.563 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.965 8.575 -0.737 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.587 8.223 -0.204 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.587 8.109 1.311 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.246 7.617 1.833 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.052 6.162 1.580 1.00 0.00 N ATOM 0 H LYS A 114 -7.025 9.415 -2.001 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.163 10.037 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.468 9.223 -0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.559 7.664 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.257 7.280 -0.641 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.871 8.985 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.815 9.080 1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.374 7.424 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.443 8.179 1.356 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.179 7.811 2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.060 5.907 1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.671 5.614 2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.289 5.947 0.591 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.629 7.584 -3.701 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.445 6.587 -4.748 1.00 0.00 C ATOM 1773 C TYR A 115 -6.193 6.985 -6.017 1.00 0.00 C ATOM 1774 O TYR A 115 -5.603 7.088 -7.092 1.00 0.00 O ATOM 1775 CB TYR A 115 -5.927 5.217 -4.268 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.525 4.898 -2.846 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.205 5.024 -2.431 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.465 4.471 -1.916 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.833 4.734 -1.133 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.103 4.179 -0.615 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.785 4.312 -0.229 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.419 4.022 1.066 1.00 0.00 O ATOM 0 H TYR A 115 -6.597 7.712 -3.406 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.381 6.531 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.013 5.175 -4.348 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -5.529 4.448 -4.930 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.457 5.355 -3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.497 4.365 -2.216 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.802 4.837 -0.828 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.847 3.849 0.095 1.00 0.00 H new ATOM 0 HH TYR A 115 -5.208 3.740 1.574 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.497 7.208 -5.882 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.326 7.595 -7.018 1.00 0.00 C ATOM 1794 C GLU A 116 -7.727 8.795 -7.745 1.00 0.00 C ATOM 1795 O GLU A 116 -7.761 8.872 -8.974 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.746 7.924 -6.552 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.681 6.726 -6.555 1.00 0.00 C ATOM 1798 CD GLU A 116 -12.127 7.116 -6.790 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -12.365 8.131 -7.477 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -13.022 6.404 -6.287 1.00 0.00 O ATOM 0 H GLU A 116 -8.001 7.127 -4.999 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.364 6.754 -7.711 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.702 8.337 -5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.160 8.699 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.367 6.026 -7.330 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.600 6.204 -5.602 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.178 9.731 -6.978 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.570 10.928 -7.547 1.00 0.00 C ATOM 1809 C LYS A 117 -5.054 10.897 -7.385 1.00 0.00 C ATOM 1810 O LYS A 117 -4.328 11.580 -8.108 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.140 12.181 -6.879 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.644 12.131 -6.674 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.393 12.407 -7.967 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.855 12.736 -7.705 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.411 13.651 -8.740 1.00 0.00 N ATOM 0 H LYS A 117 -7.142 9.683 -5.960 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.803 10.953 -8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.655 12.320 -5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.894 13.051 -7.488 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.927 11.151 -6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.934 12.864 -5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.921 13.237 -8.492 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.326 11.537 -8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.437 11.814 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.953 13.197 -6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.409 13.851 -8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.872 14.541 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.341 13.201 -9.675 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.581 10.100 -6.433 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.151 9.977 -6.178 1.00 0.00 C ATOM 1831 C LYS A 118 -2.522 11.346 -5.936 1.00 0.00 C ATOM 1832 O LYS A 118 -1.478 11.668 -6.502 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.459 9.287 -7.355 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.411 7.774 -7.231 1.00 0.00 C ATOM 1835 CD LYS A 118 -1.878 7.127 -8.499 1.00 0.00 C ATOM 1836 CE LYS A 118 -1.842 5.612 -8.378 1.00 0.00 C ATOM 1837 NZ LYS A 118 -3.193 5.009 -8.552 1.00 0.00 N ATOM 0 H LYS A 118 -5.168 9.529 -5.825 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.018 9.372 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.978 9.551 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.442 9.668 -7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.779 7.497 -6.387 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.410 7.393 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.504 7.411 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -0.875 7.501 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.163 5.204 -9.127 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -1.444 5.335 -7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -3.126 3.975 -8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -3.835 5.379 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.563 5.252 -9.493 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.164 12.145 -5.090 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.667 13.479 -4.773 1.00 0.00 C ATOM 1853 C ARG A 119 -1.214 13.422 -4.309 1.00 0.00 C ATOM 1854 O ARG A 119 -0.310 13.872 -5.013 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.534 14.126 -3.691 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.203 15.588 -3.439 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.417 16.355 -2.938 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.044 17.621 -2.312 1.00 0.00 N ATOM 1859 CZ ARG A 119 -4.904 18.605 -2.077 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.179 18.471 -2.413 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -4.488 19.728 -1.504 1.00 0.00 N ATOM 0 H ARG A 119 -4.029 11.892 -4.612 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.718 14.083 -5.679 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.582 14.044 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.415 13.570 -2.761 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.399 15.659 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.838 16.044 -4.359 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.093 16.548 -3.771 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.962 15.742 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.070 17.756 -2.041 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.502 17.610 -2.854 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -6.837 19.229 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.507 19.835 -1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.149 20.484 -1.324 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.999 12.866 -3.122 1.00 0.00 N ATOM 1876 CA TRP A 120 0.344 12.751 -2.564 1.00 0.00 C ATOM 1877 C TRP A 120 1.003 11.447 -2.999 1.00 0.00 C ATOM 1878 O TRP A 120 1.563 10.720 -2.178 1.00 0.00 O ATOM 1879 CB TRP A 120 0.292 12.827 -1.038 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.718 13.808 -0.525 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.544 15.152 -0.359 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -2.059 13.521 -0.112 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.695 15.718 0.134 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.640 14.739 0.293 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.825 12.355 -0.046 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.950 14.820 0.758 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.125 12.437 0.416 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.677 13.663 0.812 1.00 0.00 C ATOM 0 H TRP A 120 -1.737 12.488 -2.528 1.00 0.00 H new ATOM 0 HA TRP A 120 0.941 13.581 -2.941 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.062 11.839 -0.640 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.278 13.101 -0.661 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.365 15.691 -0.582 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.825 16.707 0.347 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.409 11.406 -0.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.377 15.763 1.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.726 11.541 0.473 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.697 13.695 1.167 1.00 0.00 H new ATOM 1899 N TYR A 121 0.934 11.157 -4.294 1.00 0.00 N ATOM 1900 CA TYR A 121 1.524 9.939 -4.836 1.00 0.00 C ATOM 1901 C TYR A 121 2.963 10.181 -5.279 1.00 0.00 C ATOM 1902 O TYR A 121 3.213 10.864 -6.273 1.00 0.00 O ATOM 1903 CB TYR A 121 0.694 9.428 -6.015 1.00 0.00 C ATOM 1904 CG TYR A 121 1.392 8.362 -6.830 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.780 7.160 -6.251 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.663 8.557 -8.179 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.419 6.184 -6.992 1.00 0.00 C ATOM 1908 CE2 TYR A 121 2.300 7.586 -8.927 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.677 6.402 -8.329 1.00 0.00 C ATOM 1910 OH TYR A 121 3.311 5.432 -9.070 1.00 0.00 O ATOM 0 H TYR A 121 0.476 11.749 -4.987 1.00 0.00 H new ATOM 0 HA TYR A 121 1.528 9.185 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.248 9.028 -5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.447 10.267 -6.665 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.579 6.985 -5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.371 9.484 -8.651 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.715 5.255 -6.526 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.502 7.753 -9.975 1.00 0.00 H new ATOM 0 HH TYR A 121 3.416 5.742 -9.994 1.00 0.00 H new ATOM 1920 N VAL A 122 3.908 9.614 -4.535 1.00 0.00 N ATOM 1921 CA VAL A 122 5.323 9.766 -4.851 1.00 0.00 C ATOM 1922 C VAL A 122 6.023 8.412 -4.902 1.00 0.00 C ATOM 1923 O VAL A 122 6.253 7.765 -3.880 1.00 0.00 O ATOM 1924 CB VAL A 122 6.036 10.660 -3.819 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.544 10.595 -4.007 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.538 12.094 -3.924 1.00 0.00 C ATOM 0 H VAL A 122 3.719 9.045 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 122 5.379 10.239 -5.831 1.00 0.00 H new ATOM 0 HB VAL A 122 5.803 10.290 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.030 11.233 -3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.883 9.567 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.801 10.938 -5.009 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.052 12.712 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.740 12.477 -4.924 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.465 12.121 -3.735 1.00 0.00 H new ATOM 1936 N PRO A 123 6.369 7.971 -6.121 1.00 0.00 N ATOM 1937 CA PRO A 123 7.049 6.690 -6.335 1.00 0.00 C ATOM 1938 C PRO A 123 8.485 6.703 -5.824 1.00 0.00 C ATOM 1939 O PRO A 123 9.170 7.726 -5.850 1.00 0.00 O ATOM 1940 CB PRO A 123 7.025 6.527 -7.857 1.00 0.00 C ATOM 1941 CG PRO A 123 6.935 7.916 -8.386 1.00 0.00 C ATOM 1942 CD PRO A 123 6.126 8.690 -7.383 1.00 0.00 C ATOM 0 HA PRO A 123 6.564 5.876 -5.797 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.923 6.024 -8.215 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.174 5.926 -8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.927 8.352 -8.508 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.458 7.930 -9.366 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.449 9.729 -7.322 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.067 8.700 -7.642 1.00 0.00 H new ATOM 1950 N PRO A 124 8.955 5.541 -5.346 1.00 0.00 N ATOM 1951 CA PRO A 124 10.315 5.392 -4.820 1.00 0.00 C ATOM 1952 C PRO A 124 11.373 5.483 -5.915 1.00 0.00 C ATOM 1953 O PRO A 124 12.438 6.066 -5.714 1.00 0.00 O ATOM 1954 CB PRO A 124 10.305 3.993 -4.201 1.00 0.00 C ATOM 1955 CG PRO A 124 9.241 3.258 -4.941 1.00 0.00 C ATOM 1956 CD PRO A 124 8.194 4.281 -5.284 1.00 0.00 C ATOM 0 HA PRO A 124 10.568 6.183 -4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.273 3.505 -4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.088 4.034 -3.134 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.642 2.793 -5.842 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.821 2.459 -4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.710 4.057 -6.234 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.410 4.322 -4.528 1.00 0.00 H new ATOM 1964 N GLU A 125 11.071 4.903 -7.072 1.00 0.00 N ATOM 1965 CA GLU A 125 11.998 4.919 -8.198 1.00 0.00 C ATOM 1966 C GLU A 125 12.760 6.240 -8.257 1.00 0.00 C ATOM 1967 O GLU A 125 13.938 6.272 -8.611 1.00 0.00 O ATOM 1968 CB GLU A 125 11.245 4.694 -9.511 1.00 0.00 C ATOM 1969 CG GLU A 125 10.511 5.927 -10.011 1.00 0.00 C ATOM 1970 CD GLU A 125 10.047 5.787 -11.448 1.00 0.00 C ATOM 1971 OE1 GLU A 125 9.096 5.016 -11.692 1.00 0.00 O ATOM 1972 OE2 GLU A 125 10.635 6.449 -12.328 1.00 0.00 O ATOM 0 H GLU A 125 10.193 4.417 -7.254 1.00 0.00 H new ATOM 0 HA GLU A 125 12.716 4.111 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 125 11.952 4.368 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 125 10.528 3.885 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.649 6.116 -9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 125 11.166 6.794 -9.928 1.00 0.00 H new ATOM 1979 N GLN A 126 12.079 7.326 -7.907 1.00 0.00 N ATOM 1980 CA GLN A 126 12.691 8.649 -7.921 1.00 0.00 C ATOM 1981 C GLN A 126 13.284 8.989 -6.557 1.00 0.00 C ATOM 1982 O GLN A 126 14.404 9.490 -6.464 1.00 0.00 O ATOM 1983 CB GLN A 126 11.661 9.707 -8.320 1.00 0.00 C ATOM 1984 CG GLN A 126 12.197 11.128 -8.269 1.00 0.00 C ATOM 1985 CD GLN A 126 12.164 11.714 -6.871 1.00 0.00 C ATOM 1986 OE1 GLN A 126 13.206 12.007 -6.284 1.00 0.00 O ATOM 1987 NE2 GLN A 126 10.964 11.889 -6.330 1.00 0.00 N ATOM 0 H GLN A 126 11.103 7.316 -7.610 1.00 0.00 H new ATOM 0 HA GLN A 126 13.496 8.641 -8.656 1.00 0.00 H new ATOM 0 HB2 GLN A 126 11.309 9.496 -9.330 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.798 9.629 -7.659 1.00 0.00 H new ATOM 0 HG2 GLN A 126 13.222 11.139 -8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 126 11.610 11.758 -8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 126 10.127 11.632 -6.853 1.00 0.00 H new ATOM 0 HE22 GLN A 126 10.880 12.280 -5.392 1.00 0.00 H new ATOM 1996 N ALA A 127 12.525 8.712 -5.502 1.00 0.00 N ATOM 1997 CA ALA A 127 12.976 8.987 -4.144 1.00 0.00 C ATOM 1998 C ALA A 127 14.320 8.322 -3.866 1.00 0.00 C ATOM 1999 O ALA A 127 14.916 7.709 -4.752 1.00 0.00 O ATOM 2000 CB ALA A 127 11.936 8.519 -3.137 1.00 0.00 C ATOM 0 H ALA A 127 11.595 8.297 -5.562 1.00 0.00 H new ATOM 0 HA ALA A 127 13.105 10.065 -4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 127 12.286 8.731 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 127 10.997 9.044 -3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.778 7.446 -3.249 1.00 0.00 H new ATOM 2006 N LYS A 128 14.793 8.447 -2.631 1.00 0.00 N ATOM 2007 CA LYS A 128 16.067 7.857 -2.235 1.00 0.00 C ATOM 2008 C LYS A 128 15.849 6.560 -1.463 1.00 0.00 C ATOM 2009 O LYS A 128 15.373 6.575 -0.328 1.00 0.00 O ATOM 2010 CB LYS A 128 16.866 8.844 -1.381 1.00 0.00 C ATOM 2011 CG LYS A 128 18.316 8.441 -1.182 1.00 0.00 C ATOM 2012 CD LYS A 128 19.019 9.357 -0.194 1.00 0.00 C ATOM 2013 CE LYS A 128 18.856 8.865 1.236 1.00 0.00 C ATOM 2014 NZ LYS A 128 19.907 7.878 1.606 1.00 0.00 N ATOM 0 H LYS A 128 14.313 8.952 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 128 16.631 7.630 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 128 16.832 9.827 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.387 8.939 -0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 128 18.363 7.413 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 128 18.837 8.469 -2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 128 20.079 9.415 -0.441 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.615 10.366 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 128 18.898 9.713 1.919 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.873 8.410 1.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 19.761 7.567 2.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 19.851 7.057 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 20.844 8.320 1.519 1.00 0.00 H new ATOM 2028 N SER A 129 16.203 5.440 -2.085 1.00 0.00 N ATOM 2029 CA SER A 129 16.045 4.134 -1.456 1.00 0.00 C ATOM 2030 C SER A 129 17.343 3.335 -1.528 1.00 0.00 C ATOM 2031 O SER A 129 18.328 3.781 -2.115 1.00 0.00 O ATOM 2032 CB SER A 129 14.915 3.354 -2.131 1.00 0.00 C ATOM 2033 OG SER A 129 15.292 2.930 -3.429 1.00 0.00 O ATOM 0 H SER A 129 16.601 5.411 -3.024 1.00 0.00 H new ATOM 0 HA SER A 129 15.794 4.291 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 129 14.654 2.487 -1.524 1.00 0.00 H new ATOM 0 HB3 SER A 129 14.024 3.979 -2.194 1.00 0.00 H new ATOM 0 HG SER A 129 14.553 2.433 -3.838 1.00 0.00 H new ATOM 2039 N GLY A 130 17.335 2.150 -0.926 1.00 0.00 N ATOM 2040 CA GLY A 130 18.516 1.307 -0.932 1.00 0.00 C ATOM 2041 C GLY A 130 18.229 -0.090 -1.446 1.00 0.00 C ATOM 2042 O GLY A 130 18.223 -0.342 -2.651 1.00 0.00 O ATOM 0 H GLY A 130 16.532 1.759 -0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 130 19.285 1.768 -1.552 1.00 0.00 H new ATOM 0 HA3 GLY A 130 18.918 1.243 0.079 1.00 0.00 H new ATOM 2046 N PRO A 131 17.986 -1.028 -0.518 1.00 0.00 N ATOM 2047 CA PRO A 131 17.693 -2.423 -0.861 1.00 0.00 C ATOM 2048 C PRO A 131 16.329 -2.584 -1.522 1.00 0.00 C ATOM 2049 O PRO A 131 15.294 -2.514 -0.858 1.00 0.00 O ATOM 2050 CB PRO A 131 17.717 -3.133 0.495 1.00 0.00 C ATOM 2051 CG PRO A 131 17.392 -2.069 1.486 1.00 0.00 C ATOM 2052 CD PRO A 131 17.977 -0.798 0.936 1.00 0.00 C ATOM 0 HA PRO A 131 18.406 -2.824 -1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 131 16.988 -3.943 0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 131 18.694 -3.574 0.694 1.00 0.00 H new ATOM 0 HG2 PRO A 131 16.314 -1.977 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 131 17.816 -2.303 2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 131 17.374 0.070 1.202 1.00 0.00 H new ATOM 0 HD3 PRO A 131 18.981 -0.618 1.321 1.00 0.00 H new ATOM 2060 N SER A 132 16.333 -2.800 -2.833 1.00 0.00 N ATOM 2061 CA SER A 132 15.095 -2.967 -3.585 1.00 0.00 C ATOM 2062 C SER A 132 15.387 -3.323 -5.040 1.00 0.00 C ATOM 2063 O SER A 132 16.300 -2.772 -5.654 1.00 0.00 O ATOM 2064 CB SER A 132 14.257 -1.689 -3.519 1.00 0.00 C ATOM 2065 OG SER A 132 13.390 -1.705 -2.398 1.00 0.00 O ATOM 0 H SER A 132 17.180 -2.864 -3.397 1.00 0.00 H new ATOM 0 HA SER A 132 14.533 -3.785 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 132 14.915 -0.822 -3.462 1.00 0.00 H new ATOM 0 HB3 SER A 132 13.673 -1.586 -4.433 1.00 0.00 H new ATOM 0 HG SER A 132 13.908 -1.891 -1.587 1.00 0.00 H new ATOM 2071 N SER A 133 14.604 -4.248 -5.585 1.00 0.00 N ATOM 2072 CA SER A 133 14.779 -4.681 -6.966 1.00 0.00 C ATOM 2073 C SER A 133 13.591 -4.256 -7.824 1.00 0.00 C ATOM 2074 O SER A 133 12.690 -5.050 -8.093 1.00 0.00 O ATOM 2075 CB SER A 133 14.950 -6.200 -7.029 1.00 0.00 C ATOM 2076 OG SER A 133 14.940 -6.660 -8.369 1.00 0.00 O ATOM 0 H SER A 133 13.842 -4.712 -5.091 1.00 0.00 H new ATOM 0 HA SER A 133 15.677 -4.205 -7.359 1.00 0.00 H new ATOM 0 HB2 SER A 133 15.888 -6.483 -6.551 1.00 0.00 H new ATOM 0 HB3 SER A 133 14.149 -6.683 -6.470 1.00 0.00 H new ATOM 0 HG SER A 133 15.052 -7.633 -8.382 1.00 0.00 H new ATOM 2082 N GLY A 134 13.597 -2.997 -8.250 1.00 0.00 N ATOM 2083 CA GLY A 134 12.516 -2.487 -9.072 1.00 0.00 C ATOM 2084 C GLY A 134 12.186 -1.040 -8.764 1.00 0.00 C ATOM 2085 O GLY A 134 11.044 -0.748 -8.413 1.00 0.00 O ATOM 0 H GLY A 134 14.332 -2.321 -8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.789 -2.578 -10.123 1.00 0.00 H new ATOM 0 HA3 GLY A 134 11.627 -3.100 -8.919 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.503 0.308 8.946 1.00 0.00 ZN