USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1072 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 130 SER OG : rot -102:sc= 0.54 USER MOD Set 1.2: A 132 SER OG : rot 180:sc= 0.499 USER MOD Set 2.1: A 70 GLN : amide:sc= 0.738 K(o=1.7,f=-1.5) USER MOD Set 2.2: A 71 THR OG1 : rot 4:sc= 0.971 USER MOD Set 2.3: A 120 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 52 CYS SG : rot 118:sc= 1.54 USER MOD Set 3.2: A 54 HIS : no HD1:sc= 0.735 K(o=3.7,f=-1.6!) USER MOD Set 3.3: A 113 TYR OH : rot 43:sc= 1.47 USER MOD Set 4.1: A 29 ASN : amide:sc= -0.544! K(o=-4.4!,f=-5.7) USER MOD Set 4.2: A 129 HIS : no HD1:sc= -3.9! C(o=-4.4!,f=-2.6!) USER MOD Set 5.1: A 25 HIS : no HE2:sc= 0.47 K(o=-0.19,f=-3.7!) USER MOD Set 5.2: A 37 THR OG1 : rot 158:sc= -0.661 USER MOD Set 6.1: A 20 SER OG : rot 166:sc= 0.945 USER MOD Set 6.2: A 42 THR OG1 : rot 160:sc= 1.17 USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 0.547! (180deg=0.276) USER MOD Single : A 7 CYS SG : rot -112:sc= 0.883 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 51:sc= -0.823 USER MOD Single : A 13 SER OG : rot -167:sc= 0.726 USER MOD Single : A 19 THR OG1 : rot 56:sc= 2.05 USER MOD Single : A 21 SER OG : rot -76:sc= -3.9! USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= 1.23 (180deg=0.897) USER MOD Single : A 34 ASN : amide:sc= 0.522 K(o=0.52,f=-5.5!) USER MOD Single : A 40 THR OG1 : rot 29:sc= 0.397 USER MOD Single : A 41 THR OG1 : rot 20:sc= 1.54 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.1!) USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= 2.02 (180deg=1.49) USER MOD Single : A 56 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.00081) USER MOD Single : A 65 GLN : amide:sc= -1.58 K(o=-1.6,f=-0.99) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 21:sc= 1.25 USER MOD Single : A 73 LYS NZ :NH3+ -114:sc= 0.478 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -150:sc= -0.391 USER MOD Single : A 80 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.12) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 91 LYS NZ :NH3+ 141:sc= 1.16 (180deg=-1.01!) USER MOD Single : A 95 HIS : no HE2:sc= 0.601 K(o=0.6,f=-3.5!) USER MOD Single : A 96 THR OG1 : rot 111:sc= 1.27 USER MOD Single : A 99 GLN : amide:sc= -0.928 K(o=-0.93,f=-0.033) USER MOD Single : A 101 GLN : amide:sc= -6.22! C(o=-6.2!,f=-1.4!) USER MOD Single : A 102 ASN : amide:sc= -0.299 K(o=-0.3,f=-2.6!) USER MOD Single : A 108 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-0.71) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 134:sc= 1.27 USER MOD Single : A 124 HIS : no HD1:sc=-0.00113 X(o=-0.0011,f=-0.0011) USER MOD Single : A 127 SER OG : rot 107:sc= 0.753 USER MOD Single : A 136 THR OG1 : rot -120:sc= 0.218 USER MOD Single : A 139 SER OG : rot 180:sc= -0.17 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 3.304 -14.287 5.410 1.00 0.00 N ATOM 19 CA ARG A 2 2.151 -13.602 4.853 1.00 0.00 C ATOM 20 C ARG A 2 2.357 -12.090 4.927 1.00 0.00 C ATOM 21 O ARG A 2 3.123 -11.608 5.766 1.00 0.00 O ATOM 22 CB ARG A 2 0.887 -14.023 5.614 1.00 0.00 C ATOM 23 CG ARG A 2 -0.372 -13.273 5.212 1.00 0.00 C ATOM 24 CD ARG A 2 -1.565 -13.692 6.054 1.00 0.00 C ATOM 25 NE ARG A 2 -2.762 -12.925 5.716 1.00 0.00 N ATOM 26 CZ ARG A 2 -4.006 -13.382 5.845 1.00 0.00 C ATOM 27 NH1 ARG A 2 -4.231 -14.592 6.345 1.00 0.00 N ATOM 28 NH2 ARG A 2 -5.023 -12.615 5.490 1.00 0.00 N ATOM 0 HA ARG A 2 2.032 -13.877 3.805 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.724 -15.090 5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.056 -13.878 6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.208 -12.201 5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.586 -13.458 4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.760 -14.754 5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.331 -13.555 7.110 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.636 -11.978 5.358 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.448 -15.178 6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.187 -14.935 6.441 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.852 -11.680 5.120 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.979 -12.958 5.586 1.00 0.00 H new ATOM 42 N LYS A 3 1.686 -11.364 4.034 1.00 0.00 N ATOM 43 CA LYS A 3 1.784 -9.909 3.946 1.00 0.00 C ATOM 44 C LYS A 3 3.143 -9.488 3.414 1.00 0.00 C ATOM 45 O LYS A 3 4.101 -9.295 4.163 1.00 0.00 O ATOM 46 CB LYS A 3 1.479 -9.231 5.286 1.00 0.00 C ATOM 47 CG LYS A 3 0.036 -9.415 5.720 1.00 0.00 C ATOM 48 CD LYS A 3 -0.344 -8.471 6.844 1.00 0.00 C ATOM 49 CE LYS A 3 -1.851 -8.421 7.018 1.00 0.00 C ATOM 50 NZ LYS A 3 -2.528 -7.989 5.766 1.00 0.00 N ATOM 0 H LYS A 3 1.054 -11.773 3.346 1.00 0.00 H new ATOM 0 HA LYS A 3 1.024 -9.575 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.139 -9.637 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.698 -8.166 5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.623 -9.248 4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.117 -10.444 6.044 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.123 -8.797 7.773 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.035 -7.472 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.218 -9.405 7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.103 -7.734 7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.557 -8.094 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.300 -6.993 5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.201 -8.578 4.973 1.00 0.00 H new ATOM 64 N ILE A 4 3.215 -9.385 2.099 1.00 0.00 N ATOM 65 CA ILE A 4 4.437 -9.018 1.410 1.00 0.00 C ATOM 66 C ILE A 4 4.116 -8.045 0.278 1.00 0.00 C ATOM 67 O ILE A 4 3.045 -8.130 -0.328 1.00 0.00 O ATOM 68 CB ILE A 4 5.148 -10.279 0.858 1.00 0.00 C ATOM 69 CG1 ILE A 4 6.403 -9.906 0.063 1.00 0.00 C ATOM 70 CG2 ILE A 4 4.193 -11.106 0.005 1.00 0.00 C ATOM 71 CD1 ILE A 4 7.148 -11.104 -0.485 1.00 0.00 C ATOM 0 H ILE A 4 2.424 -9.554 1.478 1.00 0.00 H new ATOM 0 HA ILE A 4 5.110 -8.531 2.116 1.00 0.00 H new ATOM 0 HB ILE A 4 5.461 -10.885 1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.120 -9.255 -0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.073 -9.333 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.712 -11.987 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.342 -11.418 0.610 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.841 -10.505 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.025 -10.766 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 4 7.462 -11.745 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.494 -11.665 -1.152 1.00 0.00 H new ATOM 83 N ASP A 5 5.021 -7.105 0.023 1.00 0.00 N ATOM 84 CA ASP A 5 4.823 -6.113 -1.027 1.00 0.00 C ATOM 85 C ASP A 5 4.948 -6.762 -2.397 1.00 0.00 C ATOM 86 O ASP A 5 6.047 -7.040 -2.872 1.00 0.00 O ATOM 87 CB ASP A 5 5.834 -4.973 -0.897 1.00 0.00 C ATOM 88 CG ASP A 5 5.767 -4.289 0.451 1.00 0.00 C ATOM 89 OD1 ASP A 5 6.433 -4.764 1.393 1.00 0.00 O ATOM 90 OD2 ASP A 5 5.052 -3.277 0.578 1.00 0.00 O ATOM 0 H ASP A 5 5.900 -7.010 0.531 1.00 0.00 H new ATOM 0 HA ASP A 5 3.820 -5.700 -0.918 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.839 -5.364 -1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.652 -4.239 -1.682 1.00 0.00 H new ATOM 95 N LEU A 6 3.811 -6.999 -3.026 1.00 0.00 N ATOM 96 CA LEU A 6 3.765 -7.721 -4.288 1.00 0.00 C ATOM 97 C LEU A 6 4.033 -6.809 -5.479 1.00 0.00 C ATOM 98 O LEU A 6 3.958 -7.236 -6.627 1.00 0.00 O ATOM 99 CB LEU A 6 2.410 -8.422 -4.427 1.00 0.00 C ATOM 100 CG LEU A 6 2.075 -9.387 -3.283 1.00 0.00 C ATOM 101 CD1 LEU A 6 0.599 -9.753 -3.285 1.00 0.00 C ATOM 102 CD2 LEU A 6 2.930 -10.639 -3.380 1.00 0.00 C ATOM 0 H LEU A 6 2.899 -6.700 -2.681 1.00 0.00 H new ATOM 0 HA LEU A 6 4.559 -8.468 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.628 -7.665 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.395 -8.973 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 6 2.295 -8.882 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.393 -10.438 -2.463 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.000 -8.850 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.345 -10.233 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.681 -11.314 -2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.740 -11.136 -4.331 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.983 -10.366 -3.317 1.00 0.00 H new ATOM 114 N CYS A 7 4.359 -5.556 -5.206 1.00 0.00 N ATOM 115 CA CYS A 7 4.659 -4.607 -6.268 1.00 0.00 C ATOM 116 C CYS A 7 6.163 -4.547 -6.536 1.00 0.00 C ATOM 117 O CYS A 7 6.605 -3.901 -7.472 1.00 0.00 O ATOM 118 CB CYS A 7 4.133 -3.215 -5.906 1.00 0.00 C ATOM 119 SG CYS A 7 4.222 -2.008 -7.252 1.00 0.00 S ATOM 0 H CYS A 7 4.423 -5.173 -4.263 1.00 0.00 H new ATOM 0 HA CYS A 7 4.161 -4.947 -7.176 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.096 -3.305 -5.583 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.700 -2.835 -5.056 1.00 0.00 H new ATOM 0 HG CYS A 7 5.100 -1.095 -6.959 1.00 0.00 H new ATOM 125 N LEU A 8 6.946 -5.243 -5.722 1.00 0.00 N ATOM 126 CA LEU A 8 8.395 -5.152 -5.804 1.00 0.00 C ATOM 127 C LEU A 8 8.921 -5.818 -7.067 1.00 0.00 C ATOM 128 O LEU A 8 8.540 -6.941 -7.396 1.00 0.00 O ATOM 129 CB LEU A 8 9.033 -5.806 -4.578 1.00 0.00 C ATOM 130 CG LEU A 8 8.663 -5.177 -3.237 1.00 0.00 C ATOM 131 CD1 LEU A 8 9.376 -5.892 -2.100 1.00 0.00 C ATOM 132 CD2 LEU A 8 9.000 -3.697 -3.234 1.00 0.00 C ATOM 0 H LEU A 8 6.601 -5.875 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 8 8.661 -4.095 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.748 -6.858 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.117 -5.771 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 8 7.588 -5.284 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.101 -5.431 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.085 -6.942 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.454 -5.816 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.730 -3.264 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.069 -3.567 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.444 -3.196 -4.026 1.00 0.00 H new ATOM 144 N SER A 9 9.812 -5.126 -7.765 1.00 0.00 N ATOM 145 CA SER A 9 10.464 -5.686 -8.938 1.00 0.00 C ATOM 146 C SER A 9 11.365 -6.849 -8.535 1.00 0.00 C ATOM 147 O SER A 9 11.770 -7.658 -9.367 1.00 0.00 O ATOM 148 CB SER A 9 11.273 -4.609 -9.659 1.00 0.00 C ATOM 149 OG SER A 9 12.202 -3.986 -8.785 1.00 0.00 O ATOM 0 H SER A 9 10.099 -4.174 -7.537 1.00 0.00 H new ATOM 0 HA SER A 9 9.699 -6.059 -9.620 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.805 -5.054 -10.500 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.598 -3.858 -10.069 1.00 0.00 H new ATOM 0 HG SER A 9 12.705 -3.303 -9.276 1.00 0.00 H new ATOM 155 N SER A 10 11.649 -6.939 -7.242 1.00 0.00 N ATOM 156 CA SER A 10 12.451 -8.023 -6.704 1.00 0.00 C ATOM 157 C SER A 10 11.598 -9.279 -6.569 1.00 0.00 C ATOM 158 O SER A 10 12.111 -10.392 -6.455 1.00 0.00 O ATOM 159 CB SER A 10 13.024 -7.605 -5.353 1.00 0.00 C ATOM 160 OG SER A 10 12.035 -6.954 -4.573 1.00 0.00 O ATOM 0 H SER A 10 11.331 -6.267 -6.544 1.00 0.00 H new ATOM 0 HA SER A 10 13.277 -8.243 -7.381 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.395 -8.482 -4.822 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.874 -6.939 -5.502 1.00 0.00 H new ATOM 0 HG SER A 10 11.225 -7.505 -4.546 1.00 0.00 H new ATOM 166 N GLU A 11 10.288 -9.079 -6.595 1.00 0.00 N ATOM 167 CA GLU A 11 9.335 -10.176 -6.577 1.00 0.00 C ATOM 168 C GLU A 11 9.063 -10.670 -7.992 1.00 0.00 C ATOM 169 O GLU A 11 8.429 -11.708 -8.192 1.00 0.00 O ATOM 170 CB GLU A 11 8.029 -9.727 -5.913 1.00 0.00 C ATOM 171 CG GLU A 11 8.032 -9.886 -4.404 1.00 0.00 C ATOM 172 CD GLU A 11 8.261 -11.324 -3.991 1.00 0.00 C ATOM 173 OE1 GLU A 11 7.441 -12.187 -4.364 1.00 0.00 O ATOM 174 OE2 GLU A 11 9.268 -11.598 -3.303 1.00 0.00 O ATOM 0 H GLU A 11 9.858 -8.154 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 11 9.761 -10.997 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.846 -8.681 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.202 -10.302 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.810 -9.256 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.081 -9.539 -4.000 1.00 0.00 H new ATOM 181 N GLY A 12 9.558 -9.922 -8.969 1.00 0.00 N ATOM 182 CA GLY A 12 9.358 -10.282 -10.356 1.00 0.00 C ATOM 183 C GLY A 12 8.367 -9.370 -11.049 1.00 0.00 C ATOM 184 O GLY A 12 8.040 -9.574 -12.220 1.00 0.00 O ATOM 0 H GLY A 12 10.097 -9.068 -8.823 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.313 -10.243 -10.881 1.00 0.00 H new ATOM 0 HA3 GLY A 12 9.004 -11.311 -10.415 1.00 0.00 H new ATOM 188 N SER A 13 7.898 -8.360 -10.330 1.00 0.00 N ATOM 189 CA SER A 13 6.922 -7.432 -10.865 1.00 0.00 C ATOM 190 C SER A 13 7.588 -6.475 -11.849 1.00 0.00 C ATOM 191 O SER A 13 8.677 -5.958 -11.594 1.00 0.00 O ATOM 192 CB SER A 13 6.253 -6.672 -9.721 1.00 0.00 C ATOM 193 OG SER A 13 5.743 -7.582 -8.756 1.00 0.00 O ATOM 0 H SER A 13 8.182 -8.165 -9.370 1.00 0.00 H new ATOM 0 HA SER A 13 6.154 -7.985 -11.405 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.972 -6.000 -9.253 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.445 -6.053 -10.110 1.00 0.00 H new ATOM 0 HG SER A 13 5.145 -7.107 -8.142 1.00 0.00 H new ATOM 199 N GLU A 14 6.932 -6.268 -12.974 1.00 0.00 N ATOM 200 CA GLU A 14 7.485 -5.494 -14.070 1.00 0.00 C ATOM 201 C GLU A 14 6.412 -4.582 -14.656 1.00 0.00 C ATOM 202 O GLU A 14 5.279 -5.012 -14.878 1.00 0.00 O ATOM 203 CB GLU A 14 8.015 -6.464 -15.129 1.00 0.00 C ATOM 204 CG GLU A 14 8.609 -5.813 -16.363 1.00 0.00 C ATOM 205 CD GLU A 14 9.142 -6.844 -17.334 1.00 0.00 C ATOM 206 OE1 GLU A 14 8.334 -7.465 -18.055 1.00 0.00 O ATOM 207 OE2 GLU A 14 10.372 -7.061 -17.365 1.00 0.00 O ATOM 0 H GLU A 14 5.997 -6.633 -13.155 1.00 0.00 H new ATOM 0 HA GLU A 14 8.301 -4.865 -13.715 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.775 -7.097 -14.671 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.200 -7.118 -15.440 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.850 -5.206 -16.856 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.414 -5.139 -16.068 1.00 0.00 H new ATOM 214 N VAL A 15 6.757 -3.327 -14.895 1.00 0.00 N ATOM 215 CA VAL A 15 5.803 -2.376 -15.446 1.00 0.00 C ATOM 216 C VAL A 15 5.750 -2.486 -16.967 1.00 0.00 C ATOM 217 O VAL A 15 6.779 -2.492 -17.644 1.00 0.00 O ATOM 218 CB VAL A 15 6.115 -0.921 -15.024 1.00 0.00 C ATOM 219 CG1 VAL A 15 5.824 -0.721 -13.544 1.00 0.00 C ATOM 220 CG2 VAL A 15 7.559 -0.555 -15.331 1.00 0.00 C ATOM 0 H VAL A 15 7.685 -2.944 -14.717 1.00 0.00 H new ATOM 0 HA VAL A 15 4.826 -2.632 -15.036 1.00 0.00 H new ATOM 0 HB VAL A 15 5.469 -0.261 -15.602 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.049 0.308 -13.265 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.772 -0.928 -13.349 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.442 -1.400 -12.957 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.747 0.473 -15.023 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.227 -1.224 -14.789 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.739 -0.652 -16.402 1.00 0.00 H new ATOM 230 N ILE A 16 4.541 -2.587 -17.493 1.00 0.00 N ATOM 231 CA ILE A 16 4.332 -2.783 -18.915 1.00 0.00 C ATOM 232 C ILE A 16 3.306 -1.787 -19.452 1.00 0.00 C ATOM 233 O ILE A 16 2.254 -1.573 -18.843 1.00 0.00 O ATOM 234 CB ILE A 16 3.872 -4.234 -19.219 1.00 0.00 C ATOM 235 CG1 ILE A 16 3.556 -4.402 -20.711 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.668 -4.613 -18.364 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.073 -5.789 -21.081 1.00 0.00 C ATOM 0 H ILE A 16 3.681 -2.536 -16.948 1.00 0.00 H new ATOM 0 HA ILE A 16 5.285 -2.612 -19.416 1.00 0.00 H new ATOM 0 HB ILE A 16 4.690 -4.909 -18.967 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.796 -3.675 -20.996 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.450 -4.172 -21.290 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.364 -5.634 -18.595 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.934 -4.544 -17.309 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.843 -3.933 -18.575 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.870 -5.830 -22.151 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.840 -6.521 -20.829 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.160 -6.016 -20.530 1.00 0.00 H new ATOM 249 N LEU A 17 3.643 -1.162 -20.577 1.00 0.00 N ATOM 250 CA LEU A 17 2.736 -0.257 -21.271 1.00 0.00 C ATOM 251 C LEU A 17 2.389 0.940 -20.381 1.00 0.00 C ATOM 252 O LEU A 17 1.355 0.970 -19.712 1.00 0.00 O ATOM 253 CB LEU A 17 1.478 -1.027 -21.734 1.00 0.00 C ATOM 254 CG LEU A 17 0.576 -0.334 -22.769 1.00 0.00 C ATOM 255 CD1 LEU A 17 -0.489 0.508 -22.087 1.00 0.00 C ATOM 256 CD2 LEU A 17 1.400 0.521 -23.723 1.00 0.00 C ATOM 0 H LEU A 17 4.550 -1.269 -21.031 1.00 0.00 H new ATOM 0 HA LEU A 17 3.226 0.139 -22.160 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.799 -1.982 -22.150 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.874 -1.250 -20.854 1.00 0.00 H new ATOM 0 HG LEU A 17 0.077 -1.111 -23.348 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.113 0.987 -22.842 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.108 -0.130 -21.456 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.011 1.272 -21.473 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.739 1.000 -24.445 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.935 1.284 -23.158 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.117 -0.109 -24.250 1.00 0.00 H new ATOM 268 N ALA A 18 3.302 1.900 -20.336 1.00 0.00 N ATOM 269 CA ALA A 18 3.076 3.142 -19.616 1.00 0.00 C ATOM 270 C ALA A 18 2.830 4.279 -20.600 1.00 0.00 C ATOM 271 O ALA A 18 3.425 4.314 -21.677 1.00 0.00 O ATOM 272 CB ALA A 18 4.258 3.460 -18.708 1.00 0.00 C ATOM 0 H ALA A 18 4.212 1.840 -20.793 1.00 0.00 H new ATOM 0 HA ALA A 18 2.192 3.027 -18.989 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.069 4.394 -18.178 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.390 2.654 -17.987 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.162 3.561 -19.309 1.00 0.00 H new ATOM 278 N THR A 19 1.945 5.197 -20.231 1.00 0.00 N ATOM 279 CA THR A 19 1.591 6.317 -21.096 1.00 0.00 C ATOM 280 C THR A 19 2.752 7.302 -21.255 1.00 0.00 C ATOM 281 O THR A 19 2.974 7.839 -22.343 1.00 0.00 O ATOM 282 CB THR A 19 0.355 7.052 -20.544 1.00 0.00 C ATOM 283 OG1 THR A 19 -0.738 6.133 -20.436 1.00 0.00 O ATOM 284 CG2 THR A 19 -0.052 8.216 -21.436 1.00 0.00 C ATOM 0 H THR A 19 1.457 5.188 -19.335 1.00 0.00 H new ATOM 0 HA THR A 19 1.360 5.908 -22.080 1.00 0.00 H new ATOM 0 HB THR A 19 0.613 7.452 -19.563 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.469 5.368 -19.885 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.927 8.709 -21.014 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.770 8.929 -21.502 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.291 7.845 -22.433 1.00 0.00 H new ATOM 292 N SER A 20 3.490 7.531 -20.175 1.00 0.00 N ATOM 293 CA SER A 20 4.613 8.456 -20.195 1.00 0.00 C ATOM 294 C SER A 20 5.444 8.279 -18.934 1.00 0.00 C ATOM 295 O SER A 20 5.024 7.582 -18.010 1.00 0.00 O ATOM 296 CB SER A 20 4.108 9.900 -20.313 1.00 0.00 C ATOM 297 OG SER A 20 5.178 10.813 -20.497 1.00 0.00 O ATOM 0 H SER A 20 3.328 7.086 -19.272 1.00 0.00 H new ATOM 0 HA SER A 20 5.240 8.242 -21.061 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.415 9.977 -21.151 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.552 10.166 -19.414 1.00 0.00 H new ATOM 0 HG SER A 20 4.823 11.678 -20.791 1.00 0.00 H new ATOM 303 N SER A 21 6.618 8.898 -18.899 1.00 0.00 N ATOM 304 CA SER A 21 7.515 8.776 -17.763 1.00 0.00 C ATOM 305 C SER A 21 8.694 9.729 -17.914 1.00 0.00 C ATOM 306 O SER A 21 8.995 10.190 -19.016 1.00 0.00 O ATOM 307 CB SER A 21 8.025 7.333 -17.654 1.00 0.00 C ATOM 308 OG SER A 21 8.848 7.155 -16.515 1.00 0.00 O ATOM 0 H SER A 21 6.970 9.492 -19.650 1.00 0.00 H new ATOM 0 HA SER A 21 6.968 9.034 -16.856 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.177 6.650 -17.601 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.586 7.076 -18.553 1.00 0.00 H new ATOM 0 HG SER A 21 9.732 7.541 -16.687 1.00 0.00 H new ATOM 314 N ASP A 22 9.349 10.027 -16.801 1.00 0.00 N ATOM 315 CA ASP A 22 10.613 10.745 -16.831 1.00 0.00 C ATOM 316 C ASP A 22 11.744 9.733 -16.868 1.00 0.00 C ATOM 317 O ASP A 22 11.541 8.562 -16.541 1.00 0.00 O ATOM 318 CB ASP A 22 10.789 11.636 -15.597 1.00 0.00 C ATOM 319 CG ASP A 22 10.256 13.044 -15.764 1.00 0.00 C ATOM 320 OD1 ASP A 22 10.309 13.579 -16.889 1.00 0.00 O ATOM 321 OD2 ASP A 22 9.811 13.630 -14.750 1.00 0.00 O ATOM 0 H ASP A 22 9.025 9.782 -15.865 1.00 0.00 H new ATOM 0 HA ASP A 22 10.623 11.383 -17.715 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.287 11.168 -14.751 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.849 11.688 -15.349 1.00 0.00 H new ATOM 326 N GLU A 23 12.926 10.170 -17.262 1.00 0.00 N ATOM 327 CA GLU A 23 14.082 9.287 -17.269 1.00 0.00 C ATOM 328 C GLU A 23 14.611 9.087 -15.853 1.00 0.00 C ATOM 329 O GLU A 23 15.053 7.996 -15.492 1.00 0.00 O ATOM 330 CB GLU A 23 15.186 9.831 -18.177 1.00 0.00 C ATOM 331 CG GLU A 23 15.595 11.260 -17.870 1.00 0.00 C ATOM 332 CD GLU A 23 16.829 11.678 -18.632 1.00 0.00 C ATOM 333 OE1 GLU A 23 16.717 11.974 -19.840 1.00 0.00 O ATOM 334 OE2 GLU A 23 17.918 11.705 -18.024 1.00 0.00 O ATOM 0 H GLU A 23 13.112 11.121 -17.579 1.00 0.00 H new ATOM 0 HA GLU A 23 13.764 8.322 -17.663 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.062 9.188 -18.091 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.850 9.775 -19.212 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.773 11.932 -18.117 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.779 11.361 -16.800 1.00 0.00 H new ATOM 341 N LYS A 24 14.555 10.143 -15.049 1.00 0.00 N ATOM 342 CA LYS A 24 15.015 10.071 -13.669 1.00 0.00 C ATOM 343 C LYS A 24 13.833 9.897 -12.722 1.00 0.00 C ATOM 344 O LYS A 24 13.997 9.801 -11.505 1.00 0.00 O ATOM 345 CB LYS A 24 15.834 11.314 -13.315 1.00 0.00 C ATOM 346 CG LYS A 24 17.067 11.477 -14.191 1.00 0.00 C ATOM 347 CD LYS A 24 17.934 12.641 -13.741 1.00 0.00 C ATOM 348 CE LYS A 24 19.186 12.770 -14.597 1.00 0.00 C ATOM 349 NZ LYS A 24 18.872 13.148 -16.002 1.00 0.00 N ATOM 0 H LYS A 24 14.197 11.056 -15.329 1.00 0.00 H new ATOM 0 HA LYS A 24 15.662 9.201 -13.558 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.205 12.198 -13.414 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.141 11.256 -12.271 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.653 10.558 -14.167 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.759 11.632 -15.225 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.359 13.566 -13.794 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.218 12.502 -12.698 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.847 13.519 -14.160 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.728 11.824 -14.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.755 13.356 -16.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 18.379 12.362 -16.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.263 13.991 -16.007 1.00 0.00 H new ATOM 363 N HIS A 25 12.638 9.854 -13.297 1.00 0.00 N ATOM 364 CA HIS A 25 11.426 9.531 -12.549 1.00 0.00 C ATOM 365 C HIS A 25 10.672 8.431 -13.287 1.00 0.00 C ATOM 366 O HIS A 25 9.652 8.689 -13.926 1.00 0.00 O ATOM 367 CB HIS A 25 10.510 10.756 -12.387 1.00 0.00 C ATOM 368 CG HIS A 25 11.171 11.957 -11.786 1.00 0.00 C ATOM 369 ND1 HIS A 25 11.124 13.207 -12.367 1.00 0.00 N ATOM 370 CD2 HIS A 25 11.889 12.101 -10.647 1.00 0.00 C ATOM 371 CE1 HIS A 25 11.790 14.063 -11.615 1.00 0.00 C ATOM 372 NE2 HIS A 25 12.265 13.418 -10.563 1.00 0.00 N ATOM 0 H HIS A 25 12.480 10.040 -14.287 1.00 0.00 H new ATOM 0 HA HIS A 25 11.717 9.200 -11.552 1.00 0.00 H new ATOM 0 HB2 HIS A 25 10.114 11.028 -13.365 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.660 10.477 -11.765 1.00 0.00 H new ATOM 0 HD1 HIS A 25 10.649 13.434 -13.241 1.00 0.00 H new ATOM 0 HD2 HIS A 25 12.123 11.323 -9.936 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.924 15.114 -11.824 1.00 0.00 H new ATOM 380 N PRO A 26 11.195 7.195 -13.250 1.00 0.00 N ATOM 381 CA PRO A 26 10.654 6.083 -14.018 1.00 0.00 C ATOM 382 C PRO A 26 9.637 5.249 -13.236 1.00 0.00 C ATOM 383 O PRO A 26 9.590 5.303 -12.004 1.00 0.00 O ATOM 384 CB PRO A 26 11.914 5.267 -14.306 1.00 0.00 C ATOM 385 CG PRO A 26 12.794 5.477 -13.113 1.00 0.00 C ATOM 386 CD PRO A 26 12.365 6.775 -12.462 1.00 0.00 C ATOM 0 HA PRO A 26 10.103 6.410 -14.900 1.00 0.00 H new ATOM 0 HB2 PRO A 26 11.678 4.211 -14.441 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.402 5.604 -15.220 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.699 4.646 -12.414 1.00 0.00 H new ATOM 0 HG3 PRO A 26 13.841 5.524 -13.411 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.109 6.630 -11.412 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.159 7.521 -12.497 1.00 0.00 H new ATOM 394 N PRO A 27 8.824 4.439 -13.944 1.00 0.00 N ATOM 395 CA PRO A 27 7.844 3.551 -13.317 1.00 0.00 C ATOM 396 C PRO A 27 8.532 2.451 -12.518 1.00 0.00 C ATOM 397 O PRO A 27 7.902 1.746 -11.732 1.00 0.00 O ATOM 398 CB PRO A 27 7.066 2.954 -14.499 1.00 0.00 C ATOM 399 CG PRO A 27 7.409 3.809 -15.671 1.00 0.00 C ATOM 400 CD PRO A 27 8.791 4.329 -15.410 1.00 0.00 C ATOM 0 HA PRO A 27 7.201 4.078 -12.612 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.351 1.916 -14.673 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.993 2.962 -14.307 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.376 3.234 -16.597 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.698 4.628 -15.779 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.557 3.648 -15.782 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.959 5.292 -15.892 1.00 0.00 H new ATOM 408 N GLU A 28 9.839 2.327 -12.731 1.00 0.00 N ATOM 409 CA GLU A 28 10.677 1.418 -11.963 1.00 0.00 C ATOM 410 C GLU A 28 10.568 1.721 -10.473 1.00 0.00 C ATOM 411 O GLU A 28 10.675 0.828 -9.645 1.00 0.00 O ATOM 412 CB GLU A 28 12.135 1.546 -12.403 1.00 0.00 C ATOM 413 CG GLU A 28 12.405 1.026 -13.805 1.00 0.00 C ATOM 414 CD GLU A 28 12.376 -0.487 -13.878 1.00 0.00 C ATOM 415 OE1 GLU A 28 13.366 -1.123 -13.454 1.00 0.00 O ATOM 416 OE2 GLU A 28 11.374 -1.047 -14.363 1.00 0.00 O ATOM 0 H GLU A 28 10.345 2.855 -13.442 1.00 0.00 H new ATOM 0 HA GLU A 28 10.333 0.400 -12.145 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.428 2.595 -12.353 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.766 1.004 -11.698 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.662 1.434 -14.490 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.378 1.384 -14.141 1.00 0.00 H new ATOM 423 N ASN A 29 10.339 2.992 -10.145 1.00 0.00 N ATOM 424 CA ASN A 29 10.234 3.414 -8.752 1.00 0.00 C ATOM 425 C ASN A 29 8.956 2.881 -8.117 1.00 0.00 C ATOM 426 O ASN A 29 8.923 2.596 -6.920 1.00 0.00 O ATOM 427 CB ASN A 29 10.276 4.938 -8.641 1.00 0.00 C ATOM 428 CG ASN A 29 10.115 5.412 -7.210 1.00 0.00 C ATOM 429 OD1 ASN A 29 9.015 5.740 -6.767 1.00 0.00 O ATOM 430 ND2 ASN A 29 11.212 5.430 -6.469 1.00 0.00 N ATOM 0 H ASN A 29 10.223 3.744 -10.824 1.00 0.00 H new ATOM 0 HA ASN A 29 11.088 3.001 -8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 29 11.223 5.304 -9.039 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.485 5.367 -9.256 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.164 5.723 -5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.106 5.150 -6.874 1.00 0.00 H new ATOM 437 N ILE A 30 7.920 2.727 -8.933 1.00 0.00 N ATOM 438 CA ILE A 30 6.640 2.206 -8.467 1.00 0.00 C ATOM 439 C ILE A 30 6.802 0.767 -7.982 1.00 0.00 C ATOM 440 O ILE A 30 6.167 0.344 -7.015 1.00 0.00 O ATOM 441 CB ILE A 30 5.572 2.264 -9.586 1.00 0.00 C ATOM 442 CG1 ILE A 30 5.399 3.706 -10.080 1.00 0.00 C ATOM 443 CG2 ILE A 30 4.245 1.704 -9.093 1.00 0.00 C ATOM 444 CD1 ILE A 30 4.425 3.852 -11.233 1.00 0.00 C ATOM 0 H ILE A 30 7.942 2.957 -9.926 1.00 0.00 H new ATOM 0 HA ILE A 30 6.305 2.831 -7.639 1.00 0.00 H new ATOM 0 HB ILE A 30 5.911 1.649 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.058 4.325 -9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.371 4.092 -10.388 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.508 1.754 -9.895 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.379 0.666 -8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.896 2.290 -8.243 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.359 4.901 -11.523 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.774 3.262 -12.081 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.441 3.498 -10.925 1.00 0.00 H new ATOM 456 N ILE A 31 7.676 0.027 -8.652 1.00 0.00 N ATOM 457 CA ILE A 31 7.971 -1.343 -8.262 1.00 0.00 C ATOM 458 C ILE A 31 9.260 -1.403 -7.441 1.00 0.00 C ATOM 459 O ILE A 31 9.757 -2.480 -7.106 1.00 0.00 O ATOM 460 CB ILE A 31 8.086 -2.276 -9.491 1.00 0.00 C ATOM 461 CG1 ILE A 31 9.153 -1.778 -10.467 1.00 0.00 C ATOM 462 CG2 ILE A 31 6.740 -2.391 -10.195 1.00 0.00 C ATOM 463 CD1 ILE A 31 9.335 -2.683 -11.666 1.00 0.00 C ATOM 0 H ILE A 31 8.193 0.354 -9.468 1.00 0.00 H new ATOM 0 HA ILE A 31 7.139 -1.692 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 31 8.387 -3.262 -9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.883 -0.780 -10.811 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.103 -1.688 -9.941 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.836 -3.050 -11.058 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.002 -2.801 -9.505 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.417 -1.404 -10.527 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.106 -2.272 -12.318 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.635 -3.676 -11.330 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.396 -2.754 -12.214 1.00 0.00 H new ATOM 475 N ASP A 32 9.792 -0.233 -7.117 1.00 0.00 N ATOM 476 CA ASP A 32 11.015 -0.132 -6.324 1.00 0.00 C ATOM 477 C ASP A 32 10.692 0.205 -4.872 1.00 0.00 C ATOM 478 O ASP A 32 10.894 -0.615 -3.979 1.00 0.00 O ATOM 479 CB ASP A 32 11.953 0.926 -6.907 1.00 0.00 C ATOM 480 CG ASP A 32 13.289 0.972 -6.200 1.00 0.00 C ATOM 481 OD1 ASP A 32 14.209 0.237 -6.616 1.00 0.00 O ATOM 482 OD2 ASP A 32 13.429 1.745 -5.234 1.00 0.00 O ATOM 0 H ASP A 32 9.395 0.666 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 32 11.515 -1.100 -6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.113 0.721 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.477 1.904 -6.841 1.00 0.00 H new ATOM 487 N GLY A 33 10.192 1.415 -4.642 1.00 0.00 N ATOM 488 CA GLY A 33 9.782 1.803 -3.304 1.00 0.00 C ATOM 489 C GLY A 33 10.704 2.814 -2.636 1.00 0.00 C ATOM 490 O GLY A 33 10.554 3.089 -1.447 1.00 0.00 O ATOM 0 H GLY A 33 10.064 2.132 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.777 2.221 -3.351 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.727 0.911 -2.680 1.00 0.00 H new ATOM 494 N ASN A 34 11.644 3.382 -3.384 1.00 0.00 N ATOM 495 CA ASN A 34 12.560 4.377 -2.819 1.00 0.00 C ATOM 496 C ASN A 34 11.922 5.770 -2.840 1.00 0.00 C ATOM 497 O ASN A 34 11.632 6.310 -3.906 1.00 0.00 O ATOM 498 CB ASN A 34 13.884 4.389 -3.594 1.00 0.00 C ATOM 499 CG ASN A 34 14.903 5.353 -3.012 1.00 0.00 C ATOM 500 OD1 ASN A 34 14.872 5.672 -1.824 1.00 0.00 O ATOM 501 ND2 ASN A 34 15.831 5.806 -3.842 1.00 0.00 N ATOM 0 H ASN A 34 11.794 3.177 -4.372 1.00 0.00 H new ATOM 0 HA ASN A 34 12.764 4.104 -1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 34 14.305 3.384 -3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.689 4.658 -4.632 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.553 6.442 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.824 5.519 -4.821 1.00 0.00 H new ATOM 508 N PRO A 35 11.699 6.363 -1.650 1.00 0.00 N ATOM 509 CA PRO A 35 10.976 7.642 -1.495 1.00 0.00 C ATOM 510 C PRO A 35 11.668 8.839 -2.151 1.00 0.00 C ATOM 511 O PRO A 35 11.053 9.890 -2.324 1.00 0.00 O ATOM 512 CB PRO A 35 10.919 7.849 0.025 1.00 0.00 C ATOM 513 CG PRO A 35 11.209 6.513 0.618 1.00 0.00 C ATOM 514 CD PRO A 35 12.127 5.827 -0.348 1.00 0.00 C ATOM 0 HA PRO A 35 10.004 7.587 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.651 8.589 0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.939 8.212 0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.677 6.613 1.598 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.292 5.941 0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.173 6.055 -0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 35 12.022 4.743 -0.304 1.00 0.00 H new ATOM 522 N GLU A 36 12.934 8.678 -2.518 1.00 0.00 N ATOM 523 CA GLU A 36 13.717 9.779 -3.084 1.00 0.00 C ATOM 524 C GLU A 36 13.157 10.250 -4.424 1.00 0.00 C ATOM 525 O GLU A 36 13.319 11.414 -4.802 1.00 0.00 O ATOM 526 CB GLU A 36 15.171 9.355 -3.260 1.00 0.00 C ATOM 527 CG GLU A 36 15.814 8.881 -1.974 1.00 0.00 C ATOM 528 CD GLU A 36 17.287 8.598 -2.135 1.00 0.00 C ATOM 529 OE1 GLU A 36 17.638 7.640 -2.852 1.00 0.00 O ATOM 530 OE2 GLU A 36 18.104 9.338 -1.551 1.00 0.00 O ATOM 0 H GLU A 36 13.443 7.798 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 36 13.657 10.612 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.223 8.557 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.742 10.195 -3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.675 9.637 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.309 7.978 -1.630 1.00 0.00 H new ATOM 537 N THR A 37 12.503 9.350 -5.136 1.00 0.00 N ATOM 538 CA THR A 37 11.940 9.671 -6.433 1.00 0.00 C ATOM 539 C THR A 37 10.556 9.039 -6.568 1.00 0.00 C ATOM 540 O THR A 37 10.183 8.175 -5.771 1.00 0.00 O ATOM 541 CB THR A 37 12.878 9.211 -7.579 1.00 0.00 C ATOM 542 OG1 THR A 37 12.324 9.532 -8.862 1.00 0.00 O ATOM 543 CG2 THR A 37 13.153 7.717 -7.505 1.00 0.00 C ATOM 0 H THR A 37 12.349 8.388 -4.835 1.00 0.00 H new ATOM 0 HA THR A 37 11.839 10.753 -6.511 1.00 0.00 H new ATOM 0 HB THR A 37 13.819 9.747 -7.455 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.041 9.561 -9.530 1.00 0.00 H new ATOM 0 HG21 THR A 37 13.813 7.428 -8.322 1.00 0.00 H new ATOM 0 HG22 THR A 37 13.629 7.481 -6.553 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.214 7.170 -7.586 1.00 0.00 H new ATOM 551 N PHE A 38 9.789 9.507 -7.540 1.00 0.00 N ATOM 552 CA PHE A 38 8.439 9.012 -7.771 1.00 0.00 C ATOM 553 C PHE A 38 8.045 9.213 -9.228 1.00 0.00 C ATOM 554 O PHE A 38 8.737 9.912 -9.970 1.00 0.00 O ATOM 555 CB PHE A 38 7.441 9.723 -6.847 1.00 0.00 C ATOM 556 CG PHE A 38 7.604 11.221 -6.805 1.00 0.00 C ATOM 557 CD1 PHE A 38 7.179 12.013 -7.860 1.00 0.00 C ATOM 558 CD2 PHE A 38 8.185 11.832 -5.704 1.00 0.00 C ATOM 559 CE1 PHE A 38 7.331 13.386 -7.819 1.00 0.00 C ATOM 560 CE2 PHE A 38 8.340 13.205 -5.659 1.00 0.00 C ATOM 561 CZ PHE A 38 7.912 13.982 -6.716 1.00 0.00 C ATOM 0 H PHE A 38 10.082 10.237 -8.189 1.00 0.00 H new ATOM 0 HA PHE A 38 8.419 7.945 -7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.428 9.487 -7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.551 9.327 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.724 11.552 -8.724 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.520 11.229 -4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.996 13.992 -8.648 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.796 13.669 -4.797 1.00 0.00 H new ATOM 0 HZ PHE A 38 8.031 15.055 -6.681 1.00 0.00 H new ATOM 571 N TRP A 39 6.933 8.619 -9.632 1.00 0.00 N ATOM 572 CA TRP A 39 6.430 8.799 -10.983 1.00 0.00 C ATOM 573 C TRP A 39 5.406 9.926 -11.002 1.00 0.00 C ATOM 574 O TRP A 39 4.336 9.829 -10.393 1.00 0.00 O ATOM 575 CB TRP A 39 5.809 7.501 -11.517 1.00 0.00 C ATOM 576 CG TRP A 39 5.383 7.579 -12.958 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.177 7.421 -14.059 1.00 0.00 C ATOM 578 CD2 TRP A 39 4.059 7.830 -13.457 1.00 0.00 C ATOM 579 NE1 TRP A 39 5.430 7.557 -15.205 1.00 0.00 N ATOM 580 CE2 TRP A 39 4.129 7.808 -14.861 1.00 0.00 C ATOM 581 CE3 TRP A 39 2.822 8.068 -12.852 1.00 0.00 C ATOM 582 CZ2 TRP A 39 3.013 8.019 -15.668 1.00 0.00 C ATOM 583 CZ3 TRP A 39 1.716 8.276 -13.654 1.00 0.00 C ATOM 584 CH2 TRP A 39 1.817 8.247 -15.048 1.00 0.00 C ATOM 0 H TRP A 39 6.364 8.010 -9.045 1.00 0.00 H new ATOM 0 HA TRP A 39 7.265 9.061 -11.633 1.00 0.00 H new ATOM 0 HB2 TRP A 39 6.530 6.691 -11.404 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.944 7.245 -10.906 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.238 7.219 -14.033 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.787 7.483 -16.157 1.00 0.00 H new ATOM 0 HE3 TRP A 39 2.732 8.089 -11.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.091 8.003 -16.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.756 8.464 -13.196 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.933 8.408 -15.646 1.00 0.00 H new ATOM 595 N THR A 40 5.750 11.007 -11.674 1.00 0.00 N ATOM 596 CA THR A 40 4.846 12.129 -11.808 1.00 0.00 C ATOM 597 C THR A 40 4.235 12.125 -13.204 1.00 0.00 C ATOM 598 O THR A 40 4.877 11.716 -14.174 1.00 0.00 O ATOM 599 CB THR A 40 5.559 13.473 -11.527 1.00 0.00 C ATOM 600 OG1 THR A 40 4.622 14.558 -11.577 1.00 0.00 O ATOM 601 CG2 THR A 40 6.686 13.722 -12.523 1.00 0.00 C ATOM 0 H THR A 40 6.651 11.131 -12.136 1.00 0.00 H new ATOM 0 HA THR A 40 4.055 12.024 -11.066 1.00 0.00 H new ATOM 0 HB THR A 40 5.990 13.414 -10.527 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.735 14.236 -11.313 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.167 14.674 -12.298 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.420 12.919 -12.450 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.279 13.751 -13.534 1.00 0.00 H new ATOM 609 N THR A 41 2.993 12.562 -13.299 1.00 0.00 N ATOM 610 CA THR A 41 2.280 12.541 -14.559 1.00 0.00 C ATOM 611 C THR A 41 2.759 13.679 -15.447 1.00 0.00 C ATOM 612 O THR A 41 2.740 14.839 -15.041 1.00 0.00 O ATOM 613 CB THR A 41 0.766 12.667 -14.328 1.00 0.00 C ATOM 614 OG1 THR A 41 0.460 13.962 -13.796 1.00 0.00 O ATOM 615 CG2 THR A 41 0.283 11.597 -13.358 1.00 0.00 C ATOM 0 H THR A 41 2.457 12.936 -12.516 1.00 0.00 H new ATOM 0 HA THR A 41 2.480 11.589 -15.051 1.00 0.00 H new ATOM 0 HB THR A 41 0.259 12.534 -15.284 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.196 14.579 -13.992 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.791 11.702 -13.206 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.497 10.610 -13.769 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.797 11.712 -12.404 1.00 0.00 H new ATOM 623 N THR A 42 3.181 13.349 -16.658 1.00 0.00 N ATOM 624 CA THR A 42 3.746 14.338 -17.565 1.00 0.00 C ATOM 625 C THR A 42 2.655 15.191 -18.226 1.00 0.00 C ATOM 626 O THR A 42 2.921 15.939 -19.166 1.00 0.00 O ATOM 627 CB THR A 42 4.588 13.640 -18.645 1.00 0.00 C ATOM 628 OG1 THR A 42 4.920 12.314 -18.203 1.00 0.00 O ATOM 629 CG2 THR A 42 5.873 14.411 -18.916 1.00 0.00 C ATOM 0 H THR A 42 3.143 12.403 -17.036 1.00 0.00 H new ATOM 0 HA THR A 42 4.380 15.002 -16.978 1.00 0.00 H new ATOM 0 HB THR A 42 4.005 13.599 -19.565 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.164 11.763 -18.976 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.451 13.897 -19.684 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.629 15.417 -19.258 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.460 14.473 -18.000 1.00 0.00 H new ATOM 637 N GLY A 43 1.429 15.073 -17.726 1.00 0.00 N ATOM 638 CA GLY A 43 0.339 15.894 -18.219 1.00 0.00 C ATOM 639 C GLY A 43 -0.464 15.218 -19.309 1.00 0.00 C ATOM 640 O GLY A 43 -1.247 15.865 -20.002 1.00 0.00 O ATOM 0 H GLY A 43 1.171 14.421 -16.985 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.323 16.145 -17.390 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.742 16.832 -18.601 1.00 0.00 H new ATOM 644 N MET A 44 -0.284 13.915 -19.458 1.00 0.00 N ATOM 645 CA MET A 44 -0.985 13.165 -20.493 1.00 0.00 C ATOM 646 C MET A 44 -2.264 12.550 -19.935 1.00 0.00 C ATOM 647 O MET A 44 -2.248 11.438 -19.419 1.00 0.00 O ATOM 648 CB MET A 44 -0.083 12.068 -21.068 1.00 0.00 C ATOM 649 CG MET A 44 1.217 12.587 -21.666 1.00 0.00 C ATOM 650 SD MET A 44 0.950 13.709 -23.051 1.00 0.00 S ATOM 651 CE MET A 44 2.640 14.150 -23.457 1.00 0.00 C ATOM 0 H MET A 44 0.340 13.354 -18.878 1.00 0.00 H new ATOM 0 HA MET A 44 -1.249 13.856 -21.294 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.152 11.354 -20.279 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.633 11.525 -21.836 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.788 13.101 -20.893 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.821 11.743 -21.999 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.643 14.842 -24.299 1.00 0.00 H new ATOM 0 HE2 MET A 44 3.109 14.624 -22.595 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.196 13.252 -23.724 1.00 0.00 H new ATOM 661 N PHE A 45 -3.356 13.299 -19.998 1.00 0.00 N ATOM 662 CA PHE A 45 -4.650 12.817 -19.522 1.00 0.00 C ATOM 663 C PHE A 45 -5.579 12.497 -20.693 1.00 0.00 C ATOM 664 O PHE A 45 -5.721 13.302 -21.617 1.00 0.00 O ATOM 665 CB PHE A 45 -5.304 13.848 -18.599 1.00 0.00 C ATOM 666 CG PHE A 45 -4.667 13.933 -17.240 1.00 0.00 C ATOM 667 CD1 PHE A 45 -3.550 14.724 -17.028 1.00 0.00 C ATOM 668 CD2 PHE A 45 -5.192 13.221 -16.174 1.00 0.00 C ATOM 669 CE1 PHE A 45 -2.968 14.802 -15.777 1.00 0.00 C ATOM 670 CE2 PHE A 45 -4.614 13.295 -14.920 1.00 0.00 C ATOM 671 CZ PHE A 45 -3.500 14.087 -14.723 1.00 0.00 C ATOM 0 H PHE A 45 -3.374 14.247 -20.375 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.478 11.900 -18.958 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.258 14.828 -19.074 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.359 13.600 -18.481 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.129 15.286 -17.849 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.063 12.601 -16.324 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.097 15.422 -15.624 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.033 12.735 -14.097 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.045 14.147 -13.745 1.00 0.00 H new ATOM 681 N PRO A 46 -6.235 11.326 -20.670 1.00 0.00 N ATOM 682 CA PRO A 46 -6.074 10.337 -19.604 1.00 0.00 C ATOM 683 C PRO A 46 -4.846 9.454 -19.812 1.00 0.00 C ATOM 684 O PRO A 46 -4.294 9.388 -20.914 1.00 0.00 O ATOM 685 CB PRO A 46 -7.354 9.512 -19.712 1.00 0.00 C ATOM 686 CG PRO A 46 -7.714 9.561 -21.159 1.00 0.00 C ATOM 687 CD PRO A 46 -7.204 10.879 -21.688 1.00 0.00 C ATOM 0 HA PRO A 46 -5.924 10.799 -18.628 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.194 8.487 -19.378 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.148 9.929 -19.092 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.264 8.727 -21.698 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.793 9.482 -21.292 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.731 10.761 -22.663 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.013 11.599 -21.811 1.00 0.00 H new ATOM 695 N GLN A 47 -4.429 8.772 -18.759 1.00 0.00 N ATOM 696 CA GLN A 47 -3.220 7.965 -18.804 1.00 0.00 C ATOM 697 C GLN A 47 -3.445 6.600 -18.169 1.00 0.00 C ATOM 698 O GLN A 47 -4.261 6.454 -17.258 1.00 0.00 O ATOM 699 CB GLN A 47 -2.085 8.702 -18.093 1.00 0.00 C ATOM 700 CG GLN A 47 -2.433 9.106 -16.672 1.00 0.00 C ATOM 701 CD GLN A 47 -1.561 10.225 -16.148 1.00 0.00 C ATOM 702 OE1 GLN A 47 -0.394 10.359 -16.518 1.00 0.00 O ATOM 703 NE2 GLN A 47 -2.132 11.049 -15.286 1.00 0.00 N ATOM 0 H GLN A 47 -4.911 8.761 -17.860 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.950 7.805 -19.848 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.201 8.065 -18.077 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.825 9.593 -18.664 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.477 9.417 -16.633 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.334 8.239 -16.019 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.102 10.902 -15.006 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.603 11.832 -14.901 1.00 0.00 H new ATOM 712 N GLU A 48 -2.721 5.611 -18.660 1.00 0.00 N ATOM 713 CA GLU A 48 -2.814 4.257 -18.145 1.00 0.00 C ATOM 714 C GLU A 48 -1.422 3.659 -17.978 1.00 0.00 C ATOM 715 O GLU A 48 -0.484 4.029 -18.692 1.00 0.00 O ATOM 716 CB GLU A 48 -3.641 3.377 -19.094 1.00 0.00 C ATOM 717 CG GLU A 48 -2.983 3.157 -20.451 1.00 0.00 C ATOM 718 CD GLU A 48 -3.755 2.203 -21.339 1.00 0.00 C ATOM 719 OE1 GLU A 48 -3.981 1.044 -20.928 1.00 0.00 O ATOM 720 OE2 GLU A 48 -4.123 2.597 -22.465 1.00 0.00 O ATOM 0 H GLU A 48 -2.054 5.723 -19.424 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.308 4.294 -17.174 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.813 2.410 -18.622 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.618 3.837 -19.244 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.883 4.116 -20.959 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.975 2.769 -20.301 1.00 0.00 H new ATOM 727 N PHE A 49 -1.287 2.763 -17.018 1.00 0.00 N ATOM 728 CA PHE A 49 -0.074 1.978 -16.871 1.00 0.00 C ATOM 729 C PHE A 49 -0.419 0.616 -16.293 1.00 0.00 C ATOM 730 O PHE A 49 -1.197 0.510 -15.340 1.00 0.00 O ATOM 731 CB PHE A 49 0.976 2.704 -16.011 1.00 0.00 C ATOM 732 CG PHE A 49 0.514 3.107 -14.635 1.00 0.00 C ATOM 733 CD1 PHE A 49 -0.166 4.299 -14.439 1.00 0.00 C ATOM 734 CD2 PHE A 49 0.778 2.302 -13.537 1.00 0.00 C ATOM 735 CE1 PHE A 49 -0.577 4.679 -13.176 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.372 2.679 -12.272 1.00 0.00 C ATOM 737 CZ PHE A 49 -0.308 3.868 -12.091 1.00 0.00 C ATOM 0 H PHE A 49 -2.007 2.560 -16.324 1.00 0.00 H new ATOM 0 HA PHE A 49 0.373 1.842 -17.856 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.848 2.058 -15.909 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.302 3.598 -16.543 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.377 4.938 -15.284 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.307 1.370 -13.673 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.108 5.609 -13.037 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.586 2.045 -11.425 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.629 4.163 -11.103 1.00 0.00 H new ATOM 747 N ILE A 50 0.124 -0.428 -16.893 1.00 0.00 N ATOM 748 CA ILE A 50 -0.185 -1.780 -16.478 1.00 0.00 C ATOM 749 C ILE A 50 0.992 -2.370 -15.717 1.00 0.00 C ATOM 750 O ILE A 50 2.140 -2.215 -16.118 1.00 0.00 O ATOM 751 CB ILE A 50 -0.520 -2.672 -17.695 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.640 -2.033 -18.525 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.922 -4.068 -17.243 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.974 -2.795 -19.790 1.00 0.00 C ATOM 0 H ILE A 50 0.782 -0.363 -17.670 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.059 -1.745 -15.828 1.00 0.00 H new ATOM 0 HB ILE A 50 0.371 -2.759 -18.317 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.537 -1.957 -17.910 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.348 -1.017 -18.790 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.154 -4.680 -18.115 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.100 -4.522 -16.689 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.800 -4.004 -16.601 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.774 -2.282 -20.323 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.091 -2.849 -20.426 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.298 -3.803 -19.533 1.00 0.00 H new ATOM 766 N ILE A 51 0.718 -3.016 -14.603 1.00 0.00 N ATOM 767 CA ILE A 51 1.769 -3.668 -13.851 1.00 0.00 C ATOM 768 C ILE A 51 1.629 -5.177 -13.967 1.00 0.00 C ATOM 769 O ILE A 51 0.640 -5.760 -13.518 1.00 0.00 O ATOM 770 CB ILE A 51 1.769 -3.254 -12.367 1.00 0.00 C ATOM 771 CG1 ILE A 51 1.771 -1.727 -12.247 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.984 -3.843 -11.657 1.00 0.00 C ATOM 773 CD1 ILE A 51 1.733 -1.228 -10.820 1.00 0.00 C ATOM 0 H ILE A 51 -0.215 -3.103 -14.201 1.00 0.00 H new ATOM 0 HA ILE A 51 2.720 -3.350 -14.278 1.00 0.00 H new ATOM 0 HB ILE A 51 0.867 -3.641 -11.893 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.663 -1.334 -12.736 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.911 -1.328 -12.785 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.973 -3.544 -10.609 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.953 -4.930 -11.724 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.895 -3.476 -12.130 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.737 -0.138 -10.815 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.828 -1.590 -10.332 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.607 -1.596 -10.282 1.00 0.00 H new ATOM 785 N CYS A 52 2.610 -5.793 -14.597 1.00 0.00 N ATOM 786 CA CYS A 52 2.621 -7.228 -14.780 1.00 0.00 C ATOM 787 C CYS A 52 3.406 -7.886 -13.659 1.00 0.00 C ATOM 788 O CYS A 52 4.620 -7.723 -13.563 1.00 0.00 O ATOM 789 CB CYS A 52 3.246 -7.587 -16.132 1.00 0.00 C ATOM 790 SG CYS A 52 3.345 -9.363 -16.458 1.00 0.00 S ATOM 0 H CYS A 52 3.418 -5.314 -14.994 1.00 0.00 H new ATOM 0 HA CYS A 52 1.594 -7.591 -14.760 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.664 -7.116 -16.924 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.250 -7.164 -16.179 1.00 0.00 H new ATOM 0 HG CYS A 52 2.627 -9.653 -17.502 1.00 0.00 H new ATOM 796 N PHE A 53 2.711 -8.622 -12.810 1.00 0.00 N ATOM 797 CA PHE A 53 3.361 -9.335 -11.724 1.00 0.00 C ATOM 798 C PHE A 53 4.147 -10.516 -12.277 1.00 0.00 C ATOM 799 O PHE A 53 5.037 -11.050 -11.617 1.00 0.00 O ATOM 800 CB PHE A 53 2.326 -9.821 -10.709 1.00 0.00 C ATOM 801 CG PHE A 53 1.532 -8.709 -10.089 1.00 0.00 C ATOM 802 CD1 PHE A 53 2.082 -7.924 -9.089 1.00 0.00 C ATOM 803 CD2 PHE A 53 0.240 -8.446 -10.509 1.00 0.00 C ATOM 804 CE1 PHE A 53 1.357 -6.897 -8.519 1.00 0.00 C ATOM 805 CE2 PHE A 53 -0.491 -7.420 -9.943 1.00 0.00 C ATOM 806 CZ PHE A 53 0.069 -6.645 -8.946 1.00 0.00 C ATOM 0 H PHE A 53 1.699 -8.742 -12.851 1.00 0.00 H new ATOM 0 HA PHE A 53 4.047 -8.655 -11.220 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.644 -10.514 -11.201 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.834 -10.378 -9.922 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.089 -8.118 -8.751 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.202 -9.050 -11.288 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.797 -6.292 -7.740 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.498 -7.224 -10.279 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.501 -5.843 -8.501 1.00 0.00 H new ATOM 816 N HIS A 54 3.789 -10.914 -13.506 1.00 0.00 N ATOM 817 CA HIS A 54 4.390 -12.065 -14.190 1.00 0.00 C ATOM 818 C HIS A 54 4.024 -13.371 -13.501 1.00 0.00 C ATOM 819 O HIS A 54 4.371 -14.451 -13.967 1.00 0.00 O ATOM 820 CB HIS A 54 5.915 -11.933 -14.302 1.00 0.00 C ATOM 821 CG HIS A 54 6.355 -11.060 -15.434 1.00 0.00 C ATOM 822 ND1 HIS A 54 6.391 -11.498 -16.738 1.00 0.00 N ATOM 823 CD2 HIS A 54 6.770 -9.771 -15.462 1.00 0.00 C ATOM 824 CE1 HIS A 54 6.807 -10.522 -17.518 1.00 0.00 C ATOM 825 NE2 HIS A 54 7.044 -9.462 -16.774 1.00 0.00 N ATOM 0 H HIS A 54 3.070 -10.443 -14.055 1.00 0.00 H new ATOM 0 HA HIS A 54 3.980 -12.079 -15.200 1.00 0.00 H new ATOM 0 HB2 HIS A 54 6.307 -11.529 -13.368 1.00 0.00 H new ATOM 0 HB3 HIS A 54 6.350 -12.925 -14.428 1.00 0.00 H new ATOM 0 HD2 HIS A 54 6.867 -9.110 -14.614 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.933 -10.581 -18.589 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.376 -8.560 -17.115 1.00 0.00 H new ATOM 833 N LYS A 55 3.295 -13.262 -12.407 1.00 0.00 N ATOM 834 CA LYS A 55 2.898 -14.414 -11.633 1.00 0.00 C ATOM 835 C LYS A 55 1.542 -14.160 -11.002 1.00 0.00 C ATOM 836 O LYS A 55 0.984 -13.070 -11.130 1.00 0.00 O ATOM 837 CB LYS A 55 3.947 -14.719 -10.560 1.00 0.00 C ATOM 838 CG LYS A 55 4.168 -13.591 -9.561 1.00 0.00 C ATOM 839 CD LYS A 55 5.335 -13.901 -8.642 1.00 0.00 C ATOM 840 CE LYS A 55 5.496 -12.862 -7.545 1.00 0.00 C ATOM 841 NZ LYS A 55 6.635 -13.196 -6.648 1.00 0.00 N ATOM 0 H LYS A 55 2.964 -12.373 -12.033 1.00 0.00 H new ATOM 0 HA LYS A 55 2.823 -15.281 -12.290 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.645 -15.615 -10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.894 -14.946 -11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.358 -12.660 -10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.264 -13.441 -8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.189 -14.883 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.253 -13.953 -9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.657 -11.881 -7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.577 -12.800 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.542 -12.667 -5.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.631 -14.216 -6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.529 -12.938 -7.112 1.00 0.00 H new ATOM 855 N HIS A 56 1.019 -15.156 -10.317 1.00 0.00 N ATOM 856 CA HIS A 56 -0.288 -15.045 -9.699 1.00 0.00 C ATOM 857 C HIS A 56 -0.127 -14.637 -8.247 1.00 0.00 C ATOM 858 O HIS A 56 0.461 -15.368 -7.448 1.00 0.00 O ATOM 859 CB HIS A 56 -1.054 -16.372 -9.798 1.00 0.00 C ATOM 860 CG HIS A 56 -1.271 -16.842 -11.206 1.00 0.00 C ATOM 861 ND1 HIS A 56 -2.484 -16.758 -11.859 1.00 0.00 N ATOM 862 CD2 HIS A 56 -0.411 -17.402 -12.090 1.00 0.00 C ATOM 863 CE1 HIS A 56 -2.357 -17.245 -13.081 1.00 0.00 C ATOM 864 NE2 HIS A 56 -1.111 -17.640 -13.242 1.00 0.00 N ATOM 0 H HIS A 56 1.480 -16.055 -10.173 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.864 -14.285 -10.227 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.507 -17.138 -9.249 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.022 -16.260 -9.309 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.633 -17.620 -11.918 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -3.141 -17.308 -13.821 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.728 -18.057 -14.091 1.00 0.00 H new ATOM 872 N VAL A 57 -0.617 -13.460 -7.912 1.00 0.00 N ATOM 873 CA VAL A 57 -0.512 -12.965 -6.553 1.00 0.00 C ATOM 874 C VAL A 57 -1.887 -12.768 -5.932 1.00 0.00 C ATOM 875 O VAL A 57 -2.832 -12.338 -6.595 1.00 0.00 O ATOM 876 CB VAL A 57 0.289 -11.646 -6.481 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.750 -11.886 -6.828 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.308 -10.598 -7.404 1.00 0.00 C ATOM 0 H VAL A 57 -1.090 -12.830 -8.559 1.00 0.00 H new ATOM 0 HA VAL A 57 0.028 -13.722 -5.984 1.00 0.00 H new ATOM 0 HB VAL A 57 0.232 -11.273 -5.458 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.297 -10.945 -6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.179 -12.598 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.823 -12.288 -7.839 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.274 -9.679 -7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.288 -10.964 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.338 -10.398 -7.110 1.00 0.00 H new ATOM 888 N ARG A 58 -1.988 -13.111 -4.658 1.00 0.00 N ATOM 889 CA ARG A 58 -3.216 -12.946 -3.906 1.00 0.00 C ATOM 890 C ARG A 58 -3.155 -11.642 -3.126 1.00 0.00 C ATOM 891 O ARG A 58 -2.400 -11.522 -2.158 1.00 0.00 O ATOM 892 CB ARG A 58 -3.408 -14.123 -2.948 1.00 0.00 C ATOM 893 CG ARG A 58 -4.671 -14.037 -2.109 1.00 0.00 C ATOM 894 CD ARG A 58 -4.678 -15.092 -1.015 1.00 0.00 C ATOM 895 NE ARG A 58 -4.632 -16.450 -1.554 1.00 0.00 N ATOM 896 CZ ARG A 58 -3.805 -17.402 -1.114 1.00 0.00 C ATOM 897 NH1 ARG A 58 -2.893 -17.125 -0.184 1.00 0.00 N ATOM 898 NH2 ARG A 58 -3.874 -18.624 -1.627 1.00 0.00 N ATOM 0 H ARG A 58 -1.220 -13.511 -4.119 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.061 -12.917 -4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.429 -15.048 -3.525 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.546 -14.182 -2.283 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.747 -13.046 -1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.545 -14.166 -2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.823 -14.936 -0.357 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.575 -14.975 -0.406 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.271 -16.685 -2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.823 -16.181 0.197 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.264 -17.857 0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.557 -18.834 -2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.244 -19.353 -1.293 1.00 0.00 H new ATOM 912 N ILE A 59 -3.933 -10.671 -3.562 1.00 0.00 N ATOM 913 CA ILE A 59 -3.920 -9.350 -2.960 1.00 0.00 C ATOM 914 C ILE A 59 -4.970 -9.248 -1.862 1.00 0.00 C ATOM 915 O ILE A 59 -6.139 -9.565 -2.082 1.00 0.00 O ATOM 916 CB ILE A 59 -4.179 -8.258 -4.023 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.134 -8.348 -5.140 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.164 -6.872 -3.388 1.00 0.00 C ATOM 919 CD1 ILE A 59 -3.379 -7.387 -6.283 1.00 0.00 C ATOM 0 H ILE A 59 -4.588 -10.773 -4.338 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.933 -9.194 -2.525 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.166 -8.423 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.148 -8.153 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.119 -9.366 -5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.348 -6.119 -4.154 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.941 -6.812 -2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.192 -6.692 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.599 -7.509 -7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.351 -7.595 -6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.364 -6.364 -5.908 1.00 0.00 H new ATOM 931 N GLU A 60 -4.540 -8.830 -0.679 1.00 0.00 N ATOM 932 CA GLU A 60 -5.450 -8.589 0.427 1.00 0.00 C ATOM 933 C GLU A 60 -5.818 -7.112 0.467 1.00 0.00 C ATOM 934 O GLU A 60 -6.983 -6.746 0.643 1.00 0.00 O ATOM 935 CB GLU A 60 -4.807 -9.002 1.755 1.00 0.00 C ATOM 936 CG GLU A 60 -5.732 -8.861 2.953 1.00 0.00 C ATOM 937 CD GLU A 60 -5.044 -9.158 4.268 1.00 0.00 C ATOM 938 OE1 GLU A 60 -4.518 -10.278 4.431 1.00 0.00 O ATOM 939 OE2 GLU A 60 -5.036 -8.272 5.152 1.00 0.00 O ATOM 0 H GLU A 60 -3.560 -8.651 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.350 -9.187 0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.477 -10.038 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.917 -8.395 1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.132 -7.847 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.580 -9.535 2.832 1.00 0.00 H new ATOM 946 N ARG A 61 -4.808 -6.266 0.304 1.00 0.00 N ATOM 947 CA ARG A 61 -5.000 -4.826 0.313 1.00 0.00 C ATOM 948 C ARG A 61 -4.065 -4.154 -0.683 1.00 0.00 C ATOM 949 O ARG A 61 -2.982 -4.657 -0.971 1.00 0.00 O ATOM 950 CB ARG A 61 -4.752 -4.257 1.714 1.00 0.00 C ATOM 951 CG ARG A 61 -5.749 -4.738 2.754 1.00 0.00 C ATOM 952 CD ARG A 61 -5.481 -4.135 4.122 1.00 0.00 C ATOM 953 NE ARG A 61 -4.145 -4.459 4.624 1.00 0.00 N ATOM 954 CZ ARG A 61 -3.721 -4.150 5.848 1.00 0.00 C ATOM 955 NH1 ARG A 61 -4.551 -3.591 6.718 1.00 0.00 N ATOM 956 NH2 ARG A 61 -2.476 -4.425 6.209 1.00 0.00 N ATOM 0 H ARG A 61 -3.841 -6.558 0.163 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.031 -4.623 0.025 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.746 -4.530 2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.787 -3.169 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.759 -4.479 2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.705 -5.825 2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.592 -3.052 4.067 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.229 -4.497 4.828 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.503 -4.949 4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.516 -3.397 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.225 -3.355 7.655 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.841 -4.874 5.549 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.153 -4.188 7.147 1.00 0.00 H new ATOM 970 N LEU A 62 -4.493 -3.021 -1.205 1.00 0.00 N ATOM 971 CA LEU A 62 -3.679 -2.222 -2.096 1.00 0.00 C ATOM 972 C LEU A 62 -3.270 -0.952 -1.377 1.00 0.00 C ATOM 973 O LEU A 62 -4.102 -0.087 -1.113 1.00 0.00 O ATOM 974 CB LEU A 62 -4.436 -1.854 -3.383 1.00 0.00 C ATOM 975 CG LEU A 62 -4.870 -3.023 -4.275 1.00 0.00 C ATOM 976 CD1 LEU A 62 -6.146 -3.664 -3.758 1.00 0.00 C ATOM 977 CD2 LEU A 62 -5.056 -2.554 -5.710 1.00 0.00 C ATOM 0 H LEU A 62 -5.417 -2.629 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.804 -2.808 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.325 -1.287 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.805 -1.190 -3.973 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.082 -3.776 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.429 -4.490 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.981 -4.040 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.945 -2.923 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.364 -3.395 -6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.822 -1.779 -5.743 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.116 -2.151 -6.086 1.00 0.00 H new ATOM 989 N VAL A 63 -2.001 -0.861 -1.032 1.00 0.00 N ATOM 990 CA VAL A 63 -1.483 0.315 -0.361 1.00 0.00 C ATOM 991 C VAL A 63 -0.973 1.293 -1.404 1.00 0.00 C ATOM 992 O VAL A 63 0.127 1.138 -1.936 1.00 0.00 O ATOM 993 CB VAL A 63 -0.350 -0.037 0.628 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.066 1.190 1.429 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.780 -1.166 1.555 1.00 0.00 C ATOM 0 H VAL A 63 -1.308 -1.589 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.291 0.763 0.217 1.00 0.00 H new ATOM 0 HB VAL A 63 0.512 -0.376 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.865 0.920 2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.420 1.965 0.749 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.789 1.564 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.031 -1.400 2.244 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.659 -0.857 2.121 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.020 -2.050 0.964 1.00 0.00 H new ATOM 1005 N ILE A 64 -1.793 2.277 -1.721 1.00 0.00 N ATOM 1006 CA ILE A 64 -1.492 3.203 -2.796 1.00 0.00 C ATOM 1007 C ILE A 64 -1.071 4.562 -2.249 1.00 0.00 C ATOM 1008 O ILE A 64 -1.818 5.211 -1.516 1.00 0.00 O ATOM 1009 CB ILE A 64 -2.710 3.371 -3.732 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -3.157 2.004 -4.265 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -2.381 4.312 -4.885 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -4.317 2.071 -5.233 1.00 0.00 C ATOM 0 H ILE A 64 -2.678 2.456 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.662 2.786 -3.366 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.528 3.810 -3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.312 1.524 -4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.436 1.371 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.253 4.415 -5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.105 5.289 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.549 3.905 -5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.573 1.065 -5.564 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.178 2.521 -4.738 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -4.037 2.676 -6.095 1.00 0.00 H new ATOM 1024 N GLN A 65 0.148 4.970 -2.580 1.00 0.00 N ATOM 1025 CA GLN A 65 0.615 6.306 -2.248 1.00 0.00 C ATOM 1026 C GLN A 65 0.580 7.177 -3.492 1.00 0.00 C ATOM 1027 O GLN A 65 1.452 7.073 -4.361 1.00 0.00 O ATOM 1028 CB GLN A 65 2.039 6.294 -1.673 1.00 0.00 C ATOM 1029 CG GLN A 65 2.191 5.524 -0.370 1.00 0.00 C ATOM 1030 CD GLN A 65 2.674 4.104 -0.584 1.00 0.00 C ATOM 1031 OE1 GLN A 65 3.877 3.842 -0.602 1.00 0.00 O ATOM 1032 NE2 GLN A 65 1.747 3.179 -0.742 1.00 0.00 N ATOM 0 H GLN A 65 0.828 4.395 -3.077 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.048 6.708 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.712 5.864 -2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.360 7.323 -1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.893 6.049 0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.233 5.503 0.149 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.760 3.437 -0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.017 2.206 -0.885 1.00 0.00 H new ATOM 1041 N SER A 66 -0.434 8.018 -3.576 1.00 0.00 N ATOM 1042 CA SER A 66 -0.604 8.911 -4.706 1.00 0.00 C ATOM 1043 C SER A 66 -1.301 10.182 -4.250 1.00 0.00 C ATOM 1044 O SER A 66 -2.180 10.134 -3.390 1.00 0.00 O ATOM 1045 CB SER A 66 -1.416 8.218 -5.802 1.00 0.00 C ATOM 1046 OG SER A 66 -2.637 7.709 -5.289 1.00 0.00 O ATOM 0 H SER A 66 -1.161 8.101 -2.865 1.00 0.00 H new ATOM 0 HA SER A 66 0.373 9.171 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.622 8.923 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.832 7.405 -6.233 1.00 0.00 H new ATOM 0 HG SER A 66 -3.138 7.273 -6.009 1.00 0.00 H new ATOM 1052 N TYR A 67 -0.912 11.311 -4.814 1.00 0.00 N ATOM 1053 CA TYR A 67 -1.474 12.585 -4.404 1.00 0.00 C ATOM 1054 C TYR A 67 -1.980 13.358 -5.617 1.00 0.00 C ATOM 1055 O TYR A 67 -1.411 13.256 -6.708 1.00 0.00 O ATOM 1056 CB TYR A 67 -0.422 13.393 -3.635 1.00 0.00 C ATOM 1057 CG TYR A 67 -0.985 14.538 -2.815 1.00 0.00 C ATOM 1058 CD1 TYR A 67 -2.255 14.463 -2.251 1.00 0.00 C ATOM 1059 CD2 TYR A 67 -0.242 15.691 -2.602 1.00 0.00 C ATOM 1060 CE1 TYR A 67 -2.765 15.505 -1.500 1.00 0.00 C ATOM 1061 CE2 TYR A 67 -0.746 16.737 -1.850 1.00 0.00 C ATOM 1062 CZ TYR A 67 -2.007 16.640 -1.302 1.00 0.00 C ATOM 1063 OH TYR A 67 -2.512 17.681 -0.559 1.00 0.00 O ATOM 0 H TYR A 67 -0.212 11.372 -5.554 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.323 12.406 -3.744 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.121 12.720 -2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.302 13.793 -4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.852 13.576 -2.403 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.746 15.773 -3.030 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.753 15.431 -1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.154 17.626 -1.693 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.234 17.352 0.017 1.00 0.00 H new ATOM 1073 N PHE A 68 -3.077 14.092 -5.412 1.00 0.00 N ATOM 1074 CA PHE A 68 -3.709 14.920 -6.449 1.00 0.00 C ATOM 1075 C PHE A 68 -4.473 14.082 -7.470 1.00 0.00 C ATOM 1076 O PHE A 68 -5.036 14.622 -8.415 1.00 0.00 O ATOM 1077 CB PHE A 68 -2.693 15.820 -7.164 1.00 0.00 C ATOM 1078 CG PHE A 68 -2.115 16.900 -6.294 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -2.943 17.796 -5.640 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -0.744 17.023 -6.139 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -2.416 18.796 -4.845 1.00 0.00 C ATOM 1082 CE2 PHE A 68 -0.210 18.020 -5.346 1.00 0.00 C ATOM 1083 CZ PHE A 68 -1.047 18.907 -4.697 1.00 0.00 C ATOM 0 H PHE A 68 -3.558 14.130 -4.513 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.425 15.556 -5.929 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.881 15.202 -7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.175 16.281 -8.026 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.014 17.713 -5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.085 16.332 -6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.073 19.489 -4.341 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.861 18.106 -5.233 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.632 19.686 -4.075 1.00 0.00 H new ATOM 1093 N VAL A 69 -4.510 12.772 -7.274 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.255 11.886 -8.165 1.00 0.00 C ATOM 1095 C VAL A 69 -6.748 11.984 -7.863 1.00 0.00 C ATOM 1096 O VAL A 69 -7.131 12.160 -6.711 1.00 0.00 O ATOM 1097 CB VAL A 69 -4.802 10.416 -8.001 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -5.471 9.516 -9.030 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -3.290 10.303 -8.093 1.00 0.00 C ATOM 0 H VAL A 69 -4.034 12.297 -6.507 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.058 12.200 -9.190 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.111 10.082 -7.011 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.133 8.489 -8.890 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.553 9.562 -8.905 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.207 9.851 -10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.995 9.260 -7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.956 10.666 -9.065 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.832 10.901 -7.305 1.00 0.00 H new ATOM 1109 N GLN A 70 -7.589 11.896 -8.887 1.00 0.00 N ATOM 1110 CA GLN A 70 -9.026 11.899 -8.665 1.00 0.00 C ATOM 1111 C GLN A 70 -9.612 10.542 -9.040 1.00 0.00 C ATOM 1112 O GLN A 70 -9.702 9.651 -8.202 1.00 0.00 O ATOM 1113 CB GLN A 70 -9.711 13.022 -9.455 1.00 0.00 C ATOM 1114 CG GLN A 70 -10.877 13.676 -8.717 1.00 0.00 C ATOM 1115 CD GLN A 70 -12.033 12.728 -8.434 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -12.314 11.810 -9.206 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -12.709 12.943 -7.316 1.00 0.00 N ATOM 0 H GLN A 70 -7.305 11.823 -9.864 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.209 12.084 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.972 13.786 -9.696 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.073 12.619 -10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -10.515 14.084 -7.774 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.244 14.515 -9.308 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.447 13.714 -6.701 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.492 12.338 -7.069 1.00 0.00 H new ATOM 1126 N THR A 71 -9.978 10.376 -10.304 1.00 0.00 N ATOM 1127 CA THR A 71 -10.601 9.141 -10.755 1.00 0.00 C ATOM 1128 C THR A 71 -9.548 8.111 -11.156 1.00 0.00 C ATOM 1129 O THR A 71 -8.898 8.242 -12.197 1.00 0.00 O ATOM 1130 CB THR A 71 -11.552 9.398 -11.940 1.00 0.00 C ATOM 1131 OG1 THR A 71 -12.507 10.408 -11.586 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.285 8.125 -12.340 1.00 0.00 C ATOM 0 H THR A 71 -9.854 11.079 -11.032 1.00 0.00 H new ATOM 0 HA THR A 71 -11.180 8.747 -9.920 1.00 0.00 H new ATOM 0 HB THR A 71 -10.955 9.734 -12.788 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.301 10.754 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.949 8.336 -13.178 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.561 7.365 -12.633 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.871 7.762 -11.496 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.377 7.098 -10.315 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.431 6.028 -10.581 1.00 0.00 C ATOM 1142 C LEU A 72 -9.161 4.701 -10.779 1.00 0.00 C ATOM 1143 O LEU A 72 -9.788 4.178 -9.860 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.418 5.922 -9.435 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.483 4.713 -9.492 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -5.767 4.650 -10.830 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.477 4.772 -8.354 1.00 0.00 C ATOM 0 H LEU A 72 -9.887 6.998 -9.437 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.893 6.259 -11.501 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.812 6.828 -9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.964 5.893 -8.492 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.082 3.809 -9.383 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.107 3.783 -10.849 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.501 4.565 -11.632 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.179 5.557 -10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.818 3.906 -8.406 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.886 5.684 -8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.005 4.769 -7.401 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.077 4.170 -11.988 1.00 0.00 N ATOM 1160 CA LYS A 73 -9.721 2.907 -12.316 1.00 0.00 C ATOM 1161 C LYS A 73 -8.733 1.755 -12.186 1.00 0.00 C ATOM 1162 O LYS A 73 -7.739 1.698 -12.910 1.00 0.00 O ATOM 1163 CB LYS A 73 -10.275 2.951 -13.742 1.00 0.00 C ATOM 1164 CG LYS A 73 -11.002 1.681 -14.162 1.00 0.00 C ATOM 1165 CD LYS A 73 -11.402 1.734 -15.627 1.00 0.00 C ATOM 1166 CE LYS A 73 -12.188 0.500 -16.047 1.00 0.00 C ATOM 1167 NZ LYS A 73 -12.570 0.550 -17.484 1.00 0.00 N ATOM 0 H LYS A 73 -8.567 4.596 -12.762 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.542 2.749 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.959 3.795 -13.829 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.453 3.133 -14.435 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.360 0.817 -13.989 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.890 1.547 -13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.003 2.625 -15.807 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.508 1.822 -16.244 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.590 -0.392 -15.861 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.086 0.416 -15.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.604 0.621 -17.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.129 1.379 -17.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.244 -0.315 -17.960 1.00 0.00 H new ATOM 1181 N ILE A 74 -8.999 0.855 -11.250 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.199 -0.352 -11.108 1.00 0.00 C ATOM 1183 C ILE A 74 -8.839 -1.487 -11.898 1.00 0.00 C ATOM 1184 O ILE A 74 -9.812 -2.105 -11.451 1.00 0.00 O ATOM 1185 CB ILE A 74 -8.060 -0.777 -9.630 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.549 0.393 -8.786 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -7.124 -1.972 -9.506 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -7.656 0.153 -7.296 1.00 0.00 C ATOM 0 H ILE A 74 -9.762 0.938 -10.578 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.203 -0.136 -11.494 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.042 -1.069 -9.259 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.507 0.587 -9.041 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.113 1.290 -9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.037 -2.259 -8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.524 -2.808 -10.079 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.140 -1.705 -9.892 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.276 1.022 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.700 -0.011 -7.028 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.069 -0.725 -7.026 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.315 -1.731 -13.087 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.840 -2.770 -13.954 1.00 0.00 C ATOM 1202 C GLU A 75 -8.010 -4.041 -13.786 1.00 0.00 C ATOM 1203 O GLU A 75 -6.782 -3.983 -13.711 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.836 -2.272 -15.403 1.00 0.00 C ATOM 1205 CG GLU A 75 -9.667 -3.111 -16.358 1.00 0.00 C ATOM 1206 CD GLU A 75 -10.041 -2.348 -17.615 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -9.141 -2.025 -18.415 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -11.241 -2.066 -17.810 1.00 0.00 O ATOM 0 H GLU A 75 -7.522 -1.220 -13.475 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.869 -3.007 -13.684 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.206 -1.247 -15.423 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.807 -2.246 -15.763 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.109 -4.007 -16.631 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.574 -3.442 -15.853 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.682 -5.180 -13.705 1.00 0.00 N ATOM 1216 CA LYS A 76 -8.022 -6.431 -13.357 1.00 0.00 C ATOM 1217 C LYS A 76 -7.881 -7.340 -14.573 1.00 0.00 C ATOM 1218 O LYS A 76 -8.799 -7.449 -15.389 1.00 0.00 O ATOM 1219 CB LYS A 76 -8.826 -7.152 -12.271 1.00 0.00 C ATOM 1220 CG LYS A 76 -8.119 -8.359 -11.670 1.00 0.00 C ATOM 1221 CD LYS A 76 -9.108 -9.330 -11.037 1.00 0.00 C ATOM 1222 CE LYS A 76 -9.971 -8.662 -9.975 1.00 0.00 C ATOM 1223 NZ LYS A 76 -11.102 -9.532 -9.558 1.00 0.00 N ATOM 0 H LYS A 76 -9.684 -5.264 -13.875 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.024 -6.196 -12.988 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.055 -6.445 -11.474 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.778 -7.475 -12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.550 -8.872 -12.446 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.404 -8.025 -10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.749 -9.750 -11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.563 -10.161 -10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.358 -8.421 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.360 -7.720 -10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.751 -8.991 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.612 -9.866 -10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.735 -10.349 -9.029 1.00 0.00 H new ATOM 1237 N SER A 77 -6.726 -7.981 -14.689 1.00 0.00 N ATOM 1238 CA SER A 77 -6.495 -8.969 -15.729 1.00 0.00 C ATOM 1239 C SER A 77 -5.788 -10.191 -15.142 1.00 0.00 C ATOM 1240 O SER A 77 -4.778 -10.064 -14.445 1.00 0.00 O ATOM 1241 CB SER A 77 -5.664 -8.363 -16.861 1.00 0.00 C ATOM 1242 OG SER A 77 -6.289 -7.202 -17.382 1.00 0.00 O ATOM 0 H SER A 77 -5.930 -7.831 -14.069 1.00 0.00 H new ATOM 0 HA SER A 77 -7.456 -9.283 -16.137 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.669 -8.111 -16.493 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.533 -9.098 -17.655 1.00 0.00 H new ATOM 0 HG SER A 77 -5.740 -6.831 -18.104 1.00 0.00 H new ATOM 1248 N THR A 78 -6.338 -11.369 -15.398 1.00 0.00 N ATOM 1249 CA THR A 78 -5.760 -12.609 -14.901 1.00 0.00 C ATOM 1250 C THR A 78 -5.150 -13.411 -16.047 1.00 0.00 C ATOM 1251 O THR A 78 -4.794 -14.581 -15.893 1.00 0.00 O ATOM 1252 CB THR A 78 -6.825 -13.460 -14.182 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.941 -13.681 -15.055 1.00 0.00 O ATOM 1254 CG2 THR A 78 -7.302 -12.771 -12.914 1.00 0.00 C ATOM 0 H THR A 78 -7.187 -11.492 -15.949 1.00 0.00 H new ATOM 0 HA THR A 78 -4.976 -12.352 -14.188 1.00 0.00 H new ATOM 0 HB THR A 78 -6.375 -14.415 -13.912 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.614 -14.224 -14.594 1.00 0.00 H new ATOM 0 HG21 THR A 78 -8.053 -13.390 -12.424 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.458 -12.623 -12.241 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.738 -11.804 -13.167 1.00 0.00 H new ATOM 1262 N SER A 79 -5.013 -12.757 -17.191 1.00 0.00 N ATOM 1263 CA SER A 79 -4.519 -13.399 -18.394 1.00 0.00 C ATOM 1264 C SER A 79 -2.994 -13.386 -18.431 1.00 0.00 C ATOM 1265 O SER A 79 -2.347 -12.752 -17.595 1.00 0.00 O ATOM 1266 CB SER A 79 -5.075 -12.672 -19.619 1.00 0.00 C ATOM 1267 OG SER A 79 -6.487 -12.564 -19.552 1.00 0.00 O ATOM 0 H SER A 79 -5.241 -11.770 -17.309 1.00 0.00 H new ATOM 0 HA SER A 79 -4.850 -14.437 -18.399 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.634 -11.677 -19.687 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.791 -13.209 -20.524 1.00 0.00 H new ATOM 0 HG SER A 79 -6.858 -12.557 -20.459 1.00 0.00 H new ATOM 1273 N LYS A 80 -2.425 -14.098 -19.393 1.00 0.00 N ATOM 1274 CA LYS A 80 -0.990 -14.059 -19.617 1.00 0.00 C ATOM 1275 C LYS A 80 -0.628 -12.764 -20.342 1.00 0.00 C ATOM 1276 O LYS A 80 0.471 -12.231 -20.190 1.00 0.00 O ATOM 1277 CB LYS A 80 -0.542 -15.298 -20.411 1.00 0.00 C ATOM 1278 CG LYS A 80 0.947 -15.334 -20.734 1.00 0.00 C ATOM 1279 CD LYS A 80 1.252 -14.620 -22.040 1.00 0.00 C ATOM 1280 CE LYS A 80 2.731 -14.311 -22.179 1.00 0.00 C ATOM 1281 NZ LYS A 80 3.016 -13.568 -23.431 1.00 0.00 N ATOM 0 H LYS A 80 -2.936 -14.709 -20.030 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.465 -14.077 -18.662 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.800 -16.192 -19.843 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.105 -15.340 -21.344 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.507 -14.867 -19.924 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.281 -16.369 -20.798 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.929 -15.239 -22.877 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.680 -13.693 -22.090 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.063 -13.724 -21.323 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.300 -15.240 -22.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.040 -13.403 -23.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.690 -14.125 -24.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.518 -12.655 -23.414 1.00 0.00 H new ATOM 1295 N GLU A 81 -1.573 -12.265 -21.124 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.417 -10.995 -21.816 1.00 0.00 C ATOM 1297 C GLU A 81 -2.169 -9.904 -21.059 1.00 0.00 C ATOM 1298 O GLU A 81 -3.052 -10.207 -20.254 1.00 0.00 O ATOM 1299 CB GLU A 81 -1.957 -11.111 -23.242 1.00 0.00 C ATOM 1300 CG GLU A 81 -1.169 -12.071 -24.115 1.00 0.00 C ATOM 1301 CD GLU A 81 0.189 -11.525 -24.506 1.00 0.00 C ATOM 1302 OE1 GLU A 81 1.158 -11.713 -23.747 1.00 0.00 O ATOM 1303 OE2 GLU A 81 0.289 -10.899 -25.583 1.00 0.00 O ATOM 0 H GLU A 81 -2.466 -12.727 -21.296 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.359 -10.735 -21.860 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.996 -11.439 -23.202 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.951 -10.124 -23.705 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.038 -13.014 -23.584 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.742 -12.289 -25.016 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.842 -8.621 -21.300 1.00 0.00 N ATOM 1311 CA PRO A 82 -2.536 -7.497 -20.657 1.00 0.00 C ATOM 1312 C PRO A 82 -3.921 -7.246 -21.260 1.00 0.00 C ATOM 1313 O PRO A 82 -4.298 -6.104 -21.514 1.00 0.00 O ATOM 1314 CB PRO A 82 -1.606 -6.315 -20.930 1.00 0.00 C ATOM 1315 CG PRO A 82 -0.922 -6.659 -22.206 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.769 -8.158 -22.204 1.00 0.00 C ATOM 0 HA PRO A 82 -2.721 -7.677 -19.598 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.165 -5.384 -21.019 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.889 -6.180 -20.120 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.507 -6.328 -23.064 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.049 -6.168 -22.273 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.883 -8.573 -23.205 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.215 -8.459 -21.844 1.00 0.00 H new ATOM 1324 N VAL A 83 -4.673 -8.322 -21.473 1.00 0.00 N ATOM 1325 CA VAL A 83 -6.006 -8.238 -22.057 1.00 0.00 C ATOM 1326 C VAL A 83 -7.010 -9.012 -21.209 1.00 0.00 C ATOM 1327 O VAL A 83 -6.633 -9.621 -20.204 1.00 0.00 O ATOM 1328 CB VAL A 83 -6.037 -8.773 -23.507 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -5.213 -7.885 -24.427 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -5.541 -10.212 -23.563 1.00 0.00 C ATOM 0 H VAL A 83 -4.377 -9.271 -21.247 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.279 -7.183 -22.079 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.071 -8.756 -23.852 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.249 -8.280 -25.442 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.620 -6.874 -24.417 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.179 -7.864 -24.082 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.572 -10.568 -24.593 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.517 -10.258 -23.193 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.179 -10.841 -22.943 1.00 0.00 H new ATOM 1340 N ASP A 84 -8.276 -9.005 -21.642 1.00 0.00 N ATOM 1341 CA ASP A 84 -9.381 -9.590 -20.878 1.00 0.00 C ATOM 1342 C ASP A 84 -9.561 -8.806 -19.588 1.00 0.00 C ATOM 1343 O ASP A 84 -8.978 -9.131 -18.550 1.00 0.00 O ATOM 1344 CB ASP A 84 -9.146 -11.077 -20.578 1.00 0.00 C ATOM 1345 CG ASP A 84 -10.403 -11.788 -20.114 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -10.868 -11.533 -18.985 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -10.935 -12.612 -20.888 1.00 0.00 O ATOM 0 H ASP A 84 -8.562 -8.594 -22.531 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.288 -9.528 -21.479 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.766 -11.568 -21.474 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.377 -11.171 -19.812 1.00 0.00 H new ATOM 1352 N PHE A 85 -10.355 -7.753 -19.667 1.00 0.00 N ATOM 1353 CA PHE A 85 -10.438 -6.783 -18.591 1.00 0.00 C ATOM 1354 C PHE A 85 -11.710 -6.953 -17.775 1.00 0.00 C ATOM 1355 O PHE A 85 -12.802 -7.106 -18.327 1.00 0.00 O ATOM 1356 CB PHE A 85 -10.395 -5.366 -19.161 1.00 0.00 C ATOM 1357 CG PHE A 85 -9.214 -5.099 -20.050 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -7.961 -4.866 -19.511 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -9.363 -5.075 -21.428 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -6.876 -4.613 -20.327 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -8.282 -4.823 -22.251 1.00 0.00 C ATOM 1362 CZ PHE A 85 -7.037 -4.591 -21.700 1.00 0.00 C ATOM 0 H PHE A 85 -10.953 -7.548 -20.468 1.00 0.00 H new ATOM 0 HA PHE A 85 -9.584 -6.950 -17.934 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -11.310 -5.185 -19.726 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -10.384 -4.654 -18.336 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.830 -4.882 -18.439 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.335 -5.255 -21.863 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.903 -4.433 -19.893 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -8.410 -4.807 -23.323 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.190 -4.393 -22.341 1.00 0.00 H new ATOM 1372 N GLU A 86 -11.559 -6.933 -16.462 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.698 -6.888 -15.565 1.00 0.00 C ATOM 1374 C GLU A 86 -12.558 -5.691 -14.634 1.00 0.00 C ATOM 1375 O GLU A 86 -11.448 -5.347 -14.211 1.00 0.00 O ATOM 1376 CB GLU A 86 -12.833 -8.189 -14.765 1.00 0.00 C ATOM 1377 CG GLU A 86 -11.616 -8.542 -13.929 1.00 0.00 C ATOM 1378 CD GLU A 86 -11.841 -9.765 -13.066 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -12.312 -9.609 -11.921 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -11.541 -10.886 -13.520 1.00 0.00 O ATOM 0 H GLU A 86 -10.653 -6.947 -15.993 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.606 -6.780 -16.158 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.699 -8.109 -14.108 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.033 -9.007 -15.457 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.765 -8.717 -14.587 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.358 -7.695 -13.293 1.00 0.00 H new ATOM 1387 N GLN A 87 -13.671 -5.046 -14.333 1.00 0.00 N ATOM 1388 CA GLN A 87 -13.651 -3.848 -13.510 1.00 0.00 C ATOM 1389 C GLN A 87 -13.661 -4.216 -12.035 1.00 0.00 C ATOM 1390 O GLN A 87 -14.710 -4.512 -11.463 1.00 0.00 O ATOM 1391 CB GLN A 87 -14.838 -2.942 -13.841 1.00 0.00 C ATOM 1392 CG GLN A 87 -14.838 -2.441 -15.276 1.00 0.00 C ATOM 1393 CD GLN A 87 -15.989 -1.496 -15.566 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -16.459 -0.774 -14.685 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -16.449 -1.490 -16.807 1.00 0.00 N ATOM 0 H GLN A 87 -14.599 -5.331 -14.645 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.733 -3.302 -13.726 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.764 -3.487 -13.655 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.831 -2.086 -13.166 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -13.896 -1.932 -15.479 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.893 -3.293 -15.954 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.033 -2.103 -17.508 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -17.220 -0.872 -17.062 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.480 -4.212 -11.433 1.00 0.00 N ATOM 1405 CA TRP A 88 -12.335 -4.579 -10.034 1.00 0.00 C ATOM 1406 C TRP A 88 -12.827 -3.449 -9.134 1.00 0.00 C ATOM 1407 O TRP A 88 -13.905 -3.536 -8.547 1.00 0.00 O ATOM 1408 CB TRP A 88 -10.867 -4.911 -9.729 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.641 -5.539 -8.382 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.589 -5.891 -7.463 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.378 -5.901 -7.809 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -10.992 -6.445 -6.357 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -9.635 -6.461 -6.545 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -8.053 -5.802 -8.244 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -8.617 -6.923 -5.714 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -7.044 -6.260 -7.419 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.331 -6.814 -6.166 1.00 0.00 C ATOM 0 H TRP A 88 -11.607 -3.958 -11.894 1.00 0.00 H new ATOM 0 HA TRP A 88 -12.942 -5.462 -9.836 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.492 -5.585 -10.499 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -10.279 -3.996 -9.793 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -12.653 -5.754 -7.588 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.480 -6.789 -5.530 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.822 -5.375 -9.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.836 -7.352 -4.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.017 -6.189 -7.746 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.520 -7.162 -5.543 1.00 0.00 H new ATOM 1428 N ILE A 89 -12.047 -2.378 -9.050 1.00 0.00 N ATOM 1429 CA ILE A 89 -12.364 -1.274 -8.155 1.00 0.00 C ATOM 1430 C ILE A 89 -11.898 0.064 -8.718 1.00 0.00 C ATOM 1431 O ILE A 89 -10.706 0.350 -8.771 1.00 0.00 O ATOM 1432 CB ILE A 89 -11.755 -1.488 -6.747 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -10.389 -2.180 -6.846 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -12.708 -2.285 -5.864 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -9.801 -2.580 -5.509 1.00 0.00 C ATOM 0 H ILE A 89 -11.191 -2.251 -9.591 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.450 -1.252 -8.066 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.605 -0.512 -6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.488 -3.070 -7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.692 -1.513 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.261 -2.424 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.649 -1.744 -5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.897 -3.258 -6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.836 -3.062 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.667 -1.693 -4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.476 -3.273 -5.007 1.00 0.00 H new ATOM 1447 N GLU A 90 -12.845 0.870 -9.167 1.00 0.00 N ATOM 1448 CA GLU A 90 -12.550 2.238 -9.561 1.00 0.00 C ATOM 1449 C GLU A 90 -12.760 3.143 -8.358 1.00 0.00 C ATOM 1450 O GLU A 90 -13.886 3.298 -7.881 1.00 0.00 O ATOM 1451 CB GLU A 90 -13.447 2.680 -10.720 1.00 0.00 C ATOM 1452 CG GLU A 90 -13.177 4.100 -11.192 1.00 0.00 C ATOM 1453 CD GLU A 90 -14.178 4.569 -12.224 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -15.255 5.067 -11.829 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -13.904 4.432 -13.435 1.00 0.00 O ATOM 0 H GLU A 90 -13.824 0.602 -9.268 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.516 2.301 -9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.309 1.995 -11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.490 2.600 -10.412 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.200 4.774 -10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.173 4.154 -11.614 1.00 0.00 H new ATOM 1462 N LYS A 91 -11.688 3.730 -7.856 1.00 0.00 N ATOM 1463 CA LYS A 91 -11.769 4.486 -6.621 1.00 0.00 C ATOM 1464 C LYS A 91 -11.270 5.907 -6.835 1.00 0.00 C ATOM 1465 O LYS A 91 -10.198 6.125 -7.402 1.00 0.00 O ATOM 1466 CB LYS A 91 -10.965 3.779 -5.523 1.00 0.00 C ATOM 1467 CG LYS A 91 -11.436 4.095 -4.111 1.00 0.00 C ATOM 1468 CD LYS A 91 -10.846 3.118 -3.104 1.00 0.00 C ATOM 1469 CE LYS A 91 -11.509 3.237 -1.738 1.00 0.00 C ATOM 1470 NZ LYS A 91 -11.126 4.484 -1.025 1.00 0.00 N ATOM 0 H LYS A 91 -10.761 3.698 -8.280 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.810 4.541 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -11.022 2.702 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.916 4.060 -5.617 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.147 5.112 -3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -12.524 4.052 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.962 2.100 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.776 3.301 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.592 3.210 -1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.235 2.376 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.955 4.868 -0.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.376 4.274 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.779 5.184 -1.712 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.072 6.868 -6.412 1.00 0.00 N ATOM 1485 CA ASP A 92 -11.708 8.270 -6.519 1.00 0.00 C ATOM 1486 C ASP A 92 -11.082 8.748 -5.218 1.00 0.00 C ATOM 1487 O ASP A 92 -11.596 8.485 -4.130 1.00 0.00 O ATOM 1488 CB ASP A 92 -12.925 9.127 -6.888 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.051 9.041 -5.875 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -14.522 7.917 -5.594 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -14.506 10.101 -5.389 1.00 0.00 O ATOM 0 H ASP A 92 -12.985 6.702 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.974 8.377 -7.318 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.612 10.167 -6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.298 8.814 -7.863 1.00 0.00 H new ATOM 1496 N LEU A 93 -9.953 9.424 -5.338 1.00 0.00 N ATOM 1497 CA LEU A 93 -9.213 9.892 -4.178 1.00 0.00 C ATOM 1498 C LEU A 93 -9.828 11.179 -3.637 1.00 0.00 C ATOM 1499 O LEU A 93 -10.387 11.975 -4.392 1.00 0.00 O ATOM 1500 CB LEU A 93 -7.745 10.121 -4.550 1.00 0.00 C ATOM 1501 CG LEU A 93 -6.817 10.479 -3.389 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -6.614 9.280 -2.476 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -5.482 10.988 -3.913 1.00 0.00 C ATOM 0 H LEU A 93 -9.526 9.663 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.265 9.131 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.366 9.219 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.697 10.920 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.283 11.274 -2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.951 9.555 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.576 8.962 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.170 8.462 -3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.833 11.238 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.010 10.214 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.645 11.877 -4.523 1.00 0.00 H new ATOM 1515 N VAL A 94 -9.736 11.366 -2.330 1.00 0.00 N ATOM 1516 CA VAL A 94 -10.258 12.565 -1.693 1.00 0.00 C ATOM 1517 C VAL A 94 -9.213 13.675 -1.704 1.00 0.00 C ATOM 1518 O VAL A 94 -8.045 13.439 -2.012 1.00 0.00 O ATOM 1519 CB VAL A 94 -10.700 12.290 -0.238 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -11.830 11.275 -0.203 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -9.526 11.812 0.605 1.00 0.00 C ATOM 0 H VAL A 94 -9.304 10.701 -1.688 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.131 12.881 -2.264 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.065 13.225 0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.126 11.096 0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.682 11.660 -0.763 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.493 10.340 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.863 11.625 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.125 10.892 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -8.749 12.577 0.614 1.00 0.00 H new ATOM 1531 N HIS A 95 -9.632 14.886 -1.366 1.00 0.00 N ATOM 1532 CA HIS A 95 -8.713 16.014 -1.342 1.00 0.00 C ATOM 1533 C HIS A 95 -8.400 16.403 0.096 1.00 0.00 C ATOM 1534 O HIS A 95 -9.300 16.685 0.885 1.00 0.00 O ATOM 1535 CB HIS A 95 -9.279 17.223 -2.112 1.00 0.00 C ATOM 1536 CG HIS A 95 -10.356 17.985 -1.389 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -10.267 19.331 -1.107 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -11.551 17.581 -0.900 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -11.364 19.720 -0.485 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -12.161 18.680 -0.348 1.00 0.00 N ATOM 0 H HIS A 95 -10.593 15.111 -1.107 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.793 15.707 -1.839 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -8.461 17.906 -2.339 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -9.678 16.875 -3.065 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -9.477 19.932 -1.342 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -11.951 16.579 -0.937 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.573 20.723 -0.145 1.00 0.00 H new ATOM 1548 N THR A 96 -7.138 16.361 0.452 1.00 0.00 N ATOM 1549 CA THR A 96 -6.715 16.849 1.742 1.00 0.00 C ATOM 1550 C THR A 96 -5.515 17.770 1.597 1.00 0.00 C ATOM 1551 O THR A 96 -4.416 17.336 1.247 1.00 0.00 O ATOM 1552 CB THR A 96 -6.400 15.702 2.704 1.00 0.00 C ATOM 1553 OG1 THR A 96 -5.602 14.708 2.043 1.00 0.00 O ATOM 1554 CG2 THR A 96 -7.684 15.071 3.222 1.00 0.00 C ATOM 0 H THR A 96 -6.387 15.994 -0.133 1.00 0.00 H new ATOM 0 HA THR A 96 -7.543 17.417 2.167 1.00 0.00 H new ATOM 0 HB THR A 96 -5.842 16.105 3.549 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.699 14.707 2.424 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.440 14.257 3.905 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.272 15.823 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.261 14.681 2.384 1.00 0.00 H new ATOM 1562 N GLU A 97 -5.743 19.041 1.868 1.00 0.00 N ATOM 1563 CA GLU A 97 -4.742 20.074 1.646 1.00 0.00 C ATOM 1564 C GLU A 97 -3.575 19.924 2.616 1.00 0.00 C ATOM 1565 O GLU A 97 -3.733 20.104 3.823 1.00 0.00 O ATOM 1566 CB GLU A 97 -5.364 21.469 1.787 1.00 0.00 C ATOM 1567 CG GLU A 97 -6.301 21.869 0.648 1.00 0.00 C ATOM 1568 CD GLU A 97 -7.589 21.064 0.599 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -8.055 20.603 1.663 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -8.151 20.906 -0.509 1.00 0.00 O ATOM 0 H GLU A 97 -6.624 19.389 2.247 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.364 19.957 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.916 21.512 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.562 22.204 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -6.548 22.926 0.748 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.775 21.753 -0.300 1.00 0.00 H new ATOM 1577 N GLY A 98 -2.411 19.565 2.078 1.00 0.00 N ATOM 1578 CA GLY A 98 -1.215 19.436 2.894 1.00 0.00 C ATOM 1579 C GLY A 98 -1.228 18.186 3.751 1.00 0.00 C ATOM 1580 O GLY A 98 -0.314 17.953 4.545 1.00 0.00 O ATOM 0 H GLY A 98 -2.275 19.361 1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.338 19.420 2.247 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.121 20.312 3.536 1.00 0.00 H new ATOM 1584 N GLN A 99 -2.264 17.380 3.586 1.00 0.00 N ATOM 1585 CA GLN A 99 -2.418 16.162 4.359 1.00 0.00 C ATOM 1586 C GLN A 99 -2.193 14.954 3.465 1.00 0.00 C ATOM 1587 O GLN A 99 -2.947 14.727 2.517 1.00 0.00 O ATOM 1588 CB GLN A 99 -3.813 16.106 4.990 1.00 0.00 C ATOM 1589 CG GLN A 99 -4.139 17.321 5.848 1.00 0.00 C ATOM 1590 CD GLN A 99 -3.227 17.449 7.053 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -2.902 18.555 7.487 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -2.838 16.321 7.624 1.00 0.00 N ATOM 0 H GLN A 99 -3.015 17.551 2.918 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.678 16.153 5.159 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -4.558 16.019 4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.891 15.207 5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -4.059 18.222 5.240 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.173 17.255 6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.129 15.425 7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.247 16.347 8.455 1.00 0.00 H new ATOM 1601 N LEU A 100 -1.149 14.196 3.750 1.00 0.00 N ATOM 1602 CA LEU A 100 -0.829 13.020 2.962 1.00 0.00 C ATOM 1603 C LEU A 100 -1.656 11.837 3.450 1.00 0.00 C ATOM 1604 O LEU A 100 -1.326 11.201 4.452 1.00 0.00 O ATOM 1605 CB LEU A 100 0.671 12.707 3.051 1.00 0.00 C ATOM 1606 CG LEU A 100 1.295 12.041 1.814 1.00 0.00 C ATOM 1607 CD1 LEU A 100 2.791 11.856 2.011 1.00 0.00 C ATOM 1608 CD2 LEU A 100 0.639 10.702 1.512 1.00 0.00 C ATOM 0 H LEU A 100 -0.508 14.375 4.523 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.072 13.213 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.205 13.637 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.836 12.058 3.911 1.00 0.00 H new ATOM 0 HG LEU A 100 1.125 12.699 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.219 11.383 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.260 12.827 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 100 2.968 11.224 2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.105 10.259 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.766 10.034 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.424 10.852 1.324 1.00 0.00 H new ATOM 1620 N GLN A 101 -2.751 11.570 2.761 1.00 0.00 N ATOM 1621 CA GLN A 101 -3.608 10.453 3.105 1.00 0.00 C ATOM 1622 C GLN A 101 -3.262 9.239 2.258 1.00 0.00 C ATOM 1623 O GLN A 101 -3.391 9.265 1.037 1.00 0.00 O ATOM 1624 CB GLN A 101 -5.082 10.825 2.921 1.00 0.00 C ATOM 1625 CG GLN A 101 -5.563 11.943 3.841 1.00 0.00 C ATOM 1626 CD GLN A 101 -5.689 11.531 5.302 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -6.537 12.045 6.028 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -4.839 10.620 5.753 1.00 0.00 N ATOM 0 H GLN A 101 -3.067 12.114 1.958 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.443 10.206 4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -5.243 11.127 1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -5.693 9.939 3.093 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -4.871 12.782 3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -6.532 12.298 3.489 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -4.147 10.213 5.124 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -4.877 10.326 6.729 1.00 0.00 H new ATOM 1637 N ASN A 102 -2.801 8.186 2.916 1.00 0.00 N ATOM 1638 CA ASN A 102 -2.500 6.938 2.235 1.00 0.00 C ATOM 1639 C ASN A 102 -3.785 6.169 1.991 1.00 0.00 C ATOM 1640 O ASN A 102 -4.638 6.078 2.877 1.00 0.00 O ATOM 1641 CB ASN A 102 -1.533 6.078 3.055 1.00 0.00 C ATOM 1642 CG ASN A 102 -0.127 6.645 3.129 1.00 0.00 C ATOM 1643 OD1 ASN A 102 0.075 7.857 3.084 1.00 0.00 O ATOM 1644 ND2 ASN A 102 0.856 5.769 3.264 1.00 0.00 N ATOM 0 H ASN A 102 -2.627 8.172 3.921 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.023 7.174 1.284 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.925 5.969 4.066 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.490 5.079 2.620 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.821 6.092 3.335 1.00 0.00 H new ATOM 0 HD22 ASN A 102 0.649 4.771 3.297 1.00 0.00 H new ATOM 1651 N GLU A 103 -3.924 5.633 0.794 1.00 0.00 N ATOM 1652 CA GLU A 103 -5.111 4.881 0.427 1.00 0.00 C ATOM 1653 C GLU A 103 -4.859 3.383 0.590 1.00 0.00 C ATOM 1654 O GLU A 103 -4.180 2.764 -0.233 1.00 0.00 O ATOM 1655 CB GLU A 103 -5.503 5.212 -1.019 1.00 0.00 C ATOM 1656 CG GLU A 103 -6.779 4.536 -1.504 1.00 0.00 C ATOM 1657 CD GLU A 103 -8.014 4.974 -0.742 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -8.407 6.153 -0.851 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -8.617 4.133 -0.042 1.00 0.00 O ATOM 0 H GLU A 103 -3.226 5.704 0.054 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.933 5.160 1.086 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.623 6.292 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.683 4.925 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.917 4.753 -2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.668 3.456 -1.412 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.368 2.816 1.678 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.289 1.378 1.893 1.00 0.00 C ATOM 1668 C GLU A 104 -6.587 0.728 1.439 1.00 0.00 C ATOM 1669 O GLU A 104 -7.588 0.758 2.153 1.00 0.00 O ATOM 1670 CB GLU A 104 -5.032 1.027 3.364 1.00 0.00 C ATOM 1671 CG GLU A 104 -3.725 1.561 3.931 1.00 0.00 C ATOM 1672 CD GLU A 104 -3.867 2.936 4.553 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -4.952 3.239 5.099 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -2.894 3.715 4.513 1.00 0.00 O ATOM 0 H GLU A 104 -5.839 3.330 2.423 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.448 1.002 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.856 1.413 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.041 -0.058 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.350 0.866 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.981 1.603 3.136 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.568 0.152 0.251 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.765 -0.427 -0.339 1.00 0.00 C ATOM 1683 C ILE A 105 -7.889 -1.904 0.018 1.00 0.00 C ATOM 1684 O ILE A 105 -7.169 -2.735 -0.517 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.744 -0.278 -1.877 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.696 1.201 -2.266 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.955 -0.958 -2.502 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -7.588 1.435 -3.756 1.00 0.00 C ATOM 0 H ILE A 105 -5.733 0.072 -0.329 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.622 0.112 0.065 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.847 -0.767 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.594 1.695 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.846 1.670 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.920 -0.841 -3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -8.946 -2.019 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.867 -0.502 -2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.559 2.506 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.676 0.971 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.451 0.996 -4.257 1.00 0.00 H new ATOM 1700 N VAL A 106 -8.785 -2.236 0.929 1.00 0.00 N ATOM 1701 CA VAL A 106 -8.982 -3.630 1.290 1.00 0.00 C ATOM 1702 C VAL A 106 -9.825 -4.343 0.228 1.00 0.00 C ATOM 1703 O VAL A 106 -11.054 -4.243 0.195 1.00 0.00 O ATOM 1704 CB VAL A 106 -9.591 -3.798 2.705 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -10.863 -2.984 2.874 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -9.845 -5.267 3.009 1.00 0.00 C ATOM 0 H VAL A 106 -9.380 -1.573 1.426 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.999 -4.099 1.325 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.864 -3.416 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.258 -3.130 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -10.642 -1.928 2.721 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -11.603 -3.310 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -10.273 -5.363 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -10.540 -5.675 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.905 -5.816 2.963 1.00 0.00 H new ATOM 1716 N ALA A 107 -9.134 -5.039 -0.660 1.00 0.00 N ATOM 1717 CA ALA A 107 -9.761 -5.737 -1.766 1.00 0.00 C ATOM 1718 C ALA A 107 -9.073 -7.074 -1.984 1.00 0.00 C ATOM 1719 O ALA A 107 -7.868 -7.123 -2.220 1.00 0.00 O ATOM 1720 CB ALA A 107 -9.695 -4.893 -3.024 1.00 0.00 C ATOM 0 H ALA A 107 -8.119 -5.135 -0.632 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.810 -5.915 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.169 -5.428 -3.847 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -10.215 -3.950 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.653 -4.693 -3.274 1.00 0.00 H new ATOM 1726 N HIS A 108 -9.835 -8.153 -1.902 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.266 -9.491 -1.991 1.00 0.00 C ATOM 1728 C HIS A 108 -9.439 -10.052 -3.394 1.00 0.00 C ATOM 1729 O HIS A 108 -10.561 -10.287 -3.847 1.00 0.00 O ATOM 1730 CB HIS A 108 -9.915 -10.430 -0.969 1.00 0.00 C ATOM 1731 CG HIS A 108 -9.792 -9.964 0.452 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -10.861 -9.496 1.180 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -8.723 -9.910 1.282 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -10.459 -9.174 2.395 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -9.167 -9.415 2.486 1.00 0.00 N ATOM 0 H HIS A 108 -10.847 -8.130 -1.774 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.202 -9.418 -1.768 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -10.971 -10.542 -1.214 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -9.461 -11.417 -1.058 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -11.817 -9.411 0.834 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -7.711 -10.201 1.043 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -11.084 -8.779 3.182 1.00 0.00 H new ATOM 1743 N GLY A 109 -8.331 -10.255 -4.082 1.00 0.00 N ATOM 1744 CA GLY A 109 -8.387 -10.789 -5.423 1.00 0.00 C ATOM 1745 C GLY A 109 -7.082 -11.423 -5.844 1.00 0.00 C ATOM 1746 O GLY A 109 -6.111 -11.427 -5.088 1.00 0.00 O ATOM 0 H GLY A 109 -7.392 -10.059 -3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.184 -11.530 -5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.641 -9.990 -6.119 1.00 0.00 H new ATOM 1750 N SER A 110 -7.063 -11.967 -7.046 1.00 0.00 N ATOM 1751 CA SER A 110 -5.863 -12.568 -7.599 1.00 0.00 C ATOM 1752 C SER A 110 -5.728 -12.182 -9.062 1.00 0.00 C ATOM 1753 O SER A 110 -6.641 -12.410 -9.855 1.00 0.00 O ATOM 1754 CB SER A 110 -5.915 -14.090 -7.455 1.00 0.00 C ATOM 1755 OG SER A 110 -6.027 -14.464 -6.090 1.00 0.00 O ATOM 0 H SER A 110 -7.874 -12.005 -7.664 1.00 0.00 H new ATOM 0 HA SER A 110 -4.996 -12.201 -7.051 1.00 0.00 H new ATOM 0 HB2 SER A 110 -6.763 -14.484 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.016 -14.531 -7.885 1.00 0.00 H new ATOM 0 HG SER A 110 -6.060 -15.441 -6.020 1.00 0.00 H new ATOM 1761 N ALA A 111 -4.604 -11.583 -9.414 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.400 -11.109 -10.769 1.00 0.00 C ATOM 1763 C ALA A 111 -2.951 -11.265 -11.196 1.00 0.00 C ATOM 1764 O ALA A 111 -2.067 -11.497 -10.367 1.00 0.00 O ATOM 1765 CB ALA A 111 -4.828 -9.653 -10.883 1.00 0.00 C ATOM 0 H ALA A 111 -3.822 -11.414 -8.782 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.013 -11.716 -11.435 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.671 -9.306 -11.904 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.884 -9.563 -10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.236 -9.045 -10.199 1.00 0.00 H new ATOM 1771 N THR A 112 -2.727 -11.165 -12.493 1.00 0.00 N ATOM 1772 CA THR A 112 -1.389 -11.175 -13.051 1.00 0.00 C ATOM 1773 C THR A 112 -1.049 -9.791 -13.595 1.00 0.00 C ATOM 1774 O THR A 112 0.114 -9.378 -13.619 1.00 0.00 O ATOM 1775 CB THR A 112 -1.283 -12.218 -14.176 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.468 -12.168 -14.979 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.113 -13.620 -13.612 1.00 0.00 C ATOM 0 H THR A 112 -3.468 -11.075 -13.189 1.00 0.00 H new ATOM 0 HA THR A 112 -0.683 -11.439 -12.264 1.00 0.00 H new ATOM 0 HB THR A 112 -0.407 -11.985 -14.781 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.221 -12.168 -15.927 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.041 -14.335 -14.431 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.204 -13.663 -13.012 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.972 -13.868 -12.988 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.086 -9.083 -14.025 1.00 0.00 N ATOM 1786 CA TYR A 113 -1.947 -7.732 -14.541 1.00 0.00 C ATOM 1787 C TYR A 113 -2.907 -6.790 -13.832 1.00 0.00 C ATOM 1788 O TYR A 113 -4.095 -7.090 -13.687 1.00 0.00 O ATOM 1789 CB TYR A 113 -2.239 -7.692 -16.045 1.00 0.00 C ATOM 1790 CG TYR A 113 -1.173 -8.323 -16.910 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -1.056 -9.702 -17.012 1.00 0.00 C ATOM 1792 CD2 TYR A 113 -0.291 -7.534 -17.632 1.00 0.00 C ATOM 1793 CE1 TYR A 113 -0.084 -10.276 -17.805 1.00 0.00 C ATOM 1794 CE2 TYR A 113 0.683 -8.100 -18.430 1.00 0.00 C ATOM 1795 CZ TYR A 113 0.781 -9.471 -18.512 1.00 0.00 C ATOM 1796 OH TYR A 113 1.754 -10.039 -19.300 1.00 0.00 O ATOM 0 H TYR A 113 -3.045 -9.431 -14.025 1.00 0.00 H new ATOM 0 HA TYR A 113 -0.920 -7.414 -14.362 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -3.186 -8.198 -16.231 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.367 -6.653 -16.349 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -1.736 -10.336 -16.462 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -0.367 -6.459 -17.569 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.002 -11.351 -17.871 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.363 -7.472 -18.986 1.00 0.00 H new ATOM 0 HH TYR A 113 1.374 -10.794 -19.796 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.387 -5.664 -13.376 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.227 -4.600 -12.852 1.00 0.00 C ATOM 1808 C LEU A 114 -3.116 -3.380 -13.745 1.00 0.00 C ATOM 1809 O LEU A 114 -2.019 -2.872 -13.984 1.00 0.00 O ATOM 1810 CB LEU A 114 -2.846 -4.235 -11.414 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.246 -5.256 -10.347 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -2.906 -4.732 -8.961 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -4.730 -5.578 -10.446 1.00 0.00 C ATOM 0 H LEU A 114 -1.387 -5.462 -13.358 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.257 -4.956 -12.840 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.766 -4.092 -11.368 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.306 -3.278 -11.167 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.684 -6.174 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.196 -5.469 -8.212 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.833 -4.550 -8.894 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.444 -3.801 -8.782 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -4.996 -6.306 -9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.311 -4.667 -10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.948 -5.992 -11.431 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.247 -2.919 -14.242 1.00 0.00 N ATOM 1826 CA ARG A 115 -4.273 -1.786 -15.147 1.00 0.00 C ATOM 1827 C ARG A 115 -4.809 -0.560 -14.425 1.00 0.00 C ATOM 1828 O ARG A 115 -6.015 -0.418 -14.229 1.00 0.00 O ATOM 1829 CB ARG A 115 -5.141 -2.110 -16.366 1.00 0.00 C ATOM 1830 CG ARG A 115 -5.099 -1.057 -17.462 1.00 0.00 C ATOM 1831 CD ARG A 115 -6.029 -1.429 -18.605 1.00 0.00 C ATOM 1832 NE ARG A 115 -5.883 -0.542 -19.759 1.00 0.00 N ATOM 1833 CZ ARG A 115 -6.797 -0.420 -20.721 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -7.971 -1.029 -20.612 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -6.547 0.344 -21.776 1.00 0.00 N ATOM 0 H ARG A 115 -5.164 -3.314 -14.033 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.259 -1.576 -15.488 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.820 -3.064 -16.783 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -6.173 -2.236 -16.039 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.388 -0.089 -17.053 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -4.080 -0.955 -17.835 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.829 -2.455 -18.912 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.061 -1.397 -18.255 1.00 0.00 H new ATOM 0 HE ARG A 115 -5.032 0.016 -19.832 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.178 -1.594 -19.789 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.667 -0.932 -21.352 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -5.657 0.836 -21.850 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -7.245 0.439 -22.514 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.900 0.303 -14.001 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.274 1.531 -13.320 1.00 0.00 C ATOM 1851 C PHE A 116 -4.503 2.642 -14.332 1.00 0.00 C ATOM 1852 O PHE A 116 -3.564 3.121 -14.970 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.196 1.950 -12.317 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.203 1.163 -11.035 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -3.975 1.578 -9.964 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -2.432 0.017 -10.895 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -3.984 0.869 -8.778 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -2.436 -0.695 -9.709 1.00 0.00 C ATOM 1859 CZ PHE A 116 -3.215 -0.268 -8.649 1.00 0.00 C ATOM 0 H PHE A 116 -2.895 0.175 -14.117 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.199 1.349 -12.773 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.218 1.846 -12.788 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.326 3.006 -12.082 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.579 2.469 -10.056 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.823 -0.322 -11.720 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -4.593 1.205 -7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.831 -1.584 -9.611 1.00 0.00 H new ATOM 0 HZ PHE A 116 -3.221 -0.824 -7.723 1.00 0.00 H new ATOM 1869 N ILE A 117 -5.756 3.029 -14.494 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.109 4.087 -15.422 1.00 0.00 C ATOM 1871 C ILE A 117 -6.479 5.356 -14.666 1.00 0.00 C ATOM 1872 O ILE A 117 -7.464 5.390 -13.927 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.283 3.671 -16.334 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -6.935 2.387 -17.090 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -7.621 4.791 -17.311 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -8.055 1.874 -17.966 1.00 0.00 C ATOM 0 H ILE A 117 -6.547 2.625 -13.993 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.237 4.277 -16.048 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.158 3.482 -15.712 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.056 2.567 -17.708 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.666 1.614 -16.370 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.451 4.481 -17.947 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.903 5.685 -16.756 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.751 5.008 -17.931 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.734 0.962 -18.470 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.929 1.661 -17.351 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.310 2.629 -18.710 1.00 0.00 H new ATOM 1888 N ILE A 118 -5.675 6.390 -14.845 1.00 0.00 N ATOM 1889 CA ILE A 118 -5.938 7.675 -14.222 1.00 0.00 C ATOM 1890 C ILE A 118 -6.617 8.595 -15.228 1.00 0.00 C ATOM 1891 O ILE A 118 -5.974 9.120 -16.141 1.00 0.00 O ATOM 1892 CB ILE A 118 -4.645 8.340 -13.702 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -3.892 7.385 -12.770 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -4.974 9.641 -12.980 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -2.576 7.937 -12.265 1.00 0.00 C ATOM 0 H ILE A 118 -4.832 6.364 -15.419 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.590 7.505 -13.365 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.003 8.569 -14.553 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.528 7.148 -11.917 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.705 6.450 -13.297 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.053 10.099 -12.619 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.473 10.323 -13.668 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.631 9.432 -12.136 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.101 7.205 -11.612 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -1.921 8.147 -13.111 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.757 8.857 -11.709 1.00 0.00 H new ATOM 1907 N VAL A 119 -7.919 8.762 -15.074 1.00 0.00 N ATOM 1908 CA VAL A 119 -8.700 9.553 -16.013 1.00 0.00 C ATOM 1909 C VAL A 119 -8.581 11.039 -15.704 1.00 0.00 C ATOM 1910 O VAL A 119 -8.402 11.861 -16.605 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.189 9.145 -15.994 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -10.971 9.903 -17.058 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -10.339 7.643 -16.190 1.00 0.00 C ATOM 0 H VAL A 119 -8.459 8.361 -14.308 1.00 0.00 H new ATOM 0 HA VAL A 119 -8.296 9.359 -17.007 1.00 0.00 H new ATOM 0 HB VAL A 119 -10.598 9.406 -15.018 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.017 9.599 -17.026 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -10.898 10.974 -16.869 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -10.558 9.679 -18.042 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -11.396 7.378 -16.173 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -9.908 7.356 -17.149 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -9.820 7.118 -15.388 1.00 0.00 H new ATOM 1923 N SER A 120 -8.663 11.380 -14.428 1.00 0.00 N ATOM 1924 CA SER A 120 -8.655 12.772 -14.018 1.00 0.00 C ATOM 1925 C SER A 120 -7.906 12.953 -12.705 1.00 0.00 C ATOM 1926 O SER A 120 -7.710 11.996 -11.947 1.00 0.00 O ATOM 1927 CB SER A 120 -10.093 13.269 -13.877 1.00 0.00 C ATOM 1928 OG SER A 120 -10.831 12.425 -13.010 1.00 0.00 O ATOM 0 H SER A 120 -8.736 10.712 -13.661 1.00 0.00 H new ATOM 0 HA SER A 120 -8.139 13.356 -14.780 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.095 14.288 -13.490 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.570 13.300 -14.856 1.00 0.00 H new ATOM 0 HG SER A 120 -11.749 12.760 -12.931 1.00 0.00 H new ATOM 1934 N ALA A 121 -7.481 14.179 -12.447 1.00 0.00 N ATOM 1935 CA ALA A 121 -6.804 14.514 -11.210 1.00 0.00 C ATOM 1936 C ALA A 121 -7.275 15.877 -10.714 1.00 0.00 C ATOM 1937 O ALA A 121 -7.977 16.591 -11.430 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.297 14.505 -11.420 1.00 0.00 C ATOM 0 H ALA A 121 -7.596 14.965 -13.087 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.048 13.768 -10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.798 14.758 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -4.981 13.513 -11.744 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.032 15.237 -12.183 1.00 0.00 H new ATOM 1944 N PHE A 122 -6.895 16.236 -9.493 1.00 0.00 N ATOM 1945 CA PHE A 122 -7.268 17.529 -8.921 1.00 0.00 C ATOM 1946 C PHE A 122 -6.451 18.649 -9.557 1.00 0.00 C ATOM 1947 O PHE A 122 -6.833 19.816 -9.511 1.00 0.00 O ATOM 1948 CB PHE A 122 -7.062 17.536 -7.403 1.00 0.00 C ATOM 1949 CG PHE A 122 -7.999 16.632 -6.650 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -9.347 16.939 -6.547 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -7.531 15.480 -6.037 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -10.208 16.115 -5.849 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -8.388 14.654 -5.338 1.00 0.00 C ATOM 1954 CZ PHE A 122 -9.729 14.972 -5.243 1.00 0.00 C ATOM 0 H PHE A 122 -6.329 15.651 -8.878 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.325 17.695 -9.130 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.036 17.240 -7.185 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.184 18.555 -7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.728 17.833 -7.018 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -6.484 15.226 -6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -11.256 16.365 -5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -8.010 13.759 -4.865 1.00 0.00 H new ATOM 0 HZ PHE A 122 -10.401 14.327 -4.696 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.327 18.275 -10.145 1.00 0.00 N ATOM 1965 CA ASP A 123 -4.456 19.216 -10.831 1.00 0.00 C ATOM 1966 C ASP A 123 -4.022 18.600 -12.157 1.00 0.00 C ATOM 1967 O ASP A 123 -4.341 17.441 -12.429 1.00 0.00 O ATOM 1968 CB ASP A 123 -3.238 19.540 -9.953 1.00 0.00 C ATOM 1969 CG ASP A 123 -2.375 20.655 -10.514 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -2.677 21.837 -10.253 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -1.390 20.351 -11.217 1.00 0.00 O ATOM 0 H ASP A 123 -4.992 17.312 -10.161 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.987 20.148 -11.024 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -3.581 19.821 -8.957 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -2.631 18.642 -9.840 1.00 0.00 H new ATOM 1976 N HIS A 124 -3.314 19.355 -12.986 1.00 0.00 N ATOM 1977 CA HIS A 124 -2.851 18.831 -14.263 1.00 0.00 C ATOM 1978 C HIS A 124 -1.605 17.975 -14.056 1.00 0.00 C ATOM 1979 O HIS A 124 -1.214 17.202 -14.931 1.00 0.00 O ATOM 1980 CB HIS A 124 -2.567 19.965 -15.252 1.00 0.00 C ATOM 1981 CG HIS A 124 -2.315 19.490 -16.653 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -3.320 19.055 -17.491 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -1.165 19.376 -17.361 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -2.802 18.695 -18.650 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -1.498 18.880 -18.597 1.00 0.00 N ATOM 0 H HIS A 124 -3.050 20.322 -12.800 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.640 18.209 -14.686 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -3.413 20.652 -15.257 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -1.700 20.529 -14.907 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -0.173 19.628 -17.017 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.353 18.314 -19.497 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -0.842 18.686 -19.353 1.00 0.00 H new ATOM 1993 N PHE A 125 -0.975 18.126 -12.900 1.00 0.00 N ATOM 1994 CA PHE A 125 0.138 17.272 -12.532 1.00 0.00 C ATOM 1995 C PHE A 125 -0.204 16.462 -11.289 1.00 0.00 C ATOM 1996 O PHE A 125 -0.529 17.018 -10.239 1.00 0.00 O ATOM 1997 CB PHE A 125 1.405 18.095 -12.282 1.00 0.00 C ATOM 1998 CG PHE A 125 1.941 18.774 -13.510 1.00 0.00 C ATOM 1999 CD1 PHE A 125 2.626 18.049 -14.471 1.00 0.00 C ATOM 2000 CD2 PHE A 125 1.768 20.135 -13.698 1.00 0.00 C ATOM 2001 CE1 PHE A 125 3.127 18.668 -15.600 1.00 0.00 C ATOM 2002 CE2 PHE A 125 2.265 20.760 -14.825 1.00 0.00 C ATOM 2003 CZ PHE A 125 2.946 20.026 -15.777 1.00 0.00 C ATOM 0 H PHE A 125 -1.217 18.831 -12.204 1.00 0.00 H new ATOM 0 HA PHE A 125 0.326 16.592 -13.363 1.00 0.00 H new ATOM 0 HB2 PHE A 125 1.193 18.850 -11.525 1.00 0.00 H new ATOM 0 HB3 PHE A 125 2.176 17.442 -11.874 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.770 16.987 -14.336 1.00 0.00 H new ATOM 0 HD2 PHE A 125 1.239 20.714 -12.956 1.00 0.00 H new ATOM 0 HE1 PHE A 125 3.659 18.092 -16.342 1.00 0.00 H new ATOM 0 HE2 PHE A 125 2.121 21.822 -14.962 1.00 0.00 H new ATOM 0 HZ PHE A 125 3.336 20.513 -16.658 1.00 0.00 H new ATOM 2013 N ALA A 126 -0.131 15.151 -11.417 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.349 14.259 -10.298 1.00 0.00 C ATOM 2015 C ALA A 126 0.920 13.469 -10.016 1.00 0.00 C ATOM 2016 O ALA A 126 1.879 13.515 -10.797 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.515 13.320 -10.579 1.00 0.00 C ATOM 0 H ALA A 126 0.080 14.678 -12.296 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.599 14.851 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.663 12.658 -9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.420 13.904 -10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.298 12.726 -11.466 1.00 0.00 H new ATOM 2023 N SER A 127 0.931 12.746 -8.911 1.00 0.00 N ATOM 2024 CA SER A 127 2.105 11.990 -8.525 1.00 0.00 C ATOM 2025 C SER A 127 1.715 10.687 -7.842 1.00 0.00 C ATOM 2026 O SER A 127 0.914 10.678 -6.904 1.00 0.00 O ATOM 2027 CB SER A 127 2.981 12.835 -7.594 1.00 0.00 C ATOM 2028 OG SER A 127 4.161 12.145 -7.221 1.00 0.00 O ATOM 0 H SER A 127 0.143 12.667 -8.268 1.00 0.00 H new ATOM 0 HA SER A 127 2.669 11.743 -9.425 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.246 13.768 -8.091 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.415 13.099 -6.701 1.00 0.00 H new ATOM 0 HG SER A 127 4.930 12.536 -7.686 1.00 0.00 H new ATOM 2034 N VAL A 128 2.269 9.587 -8.334 1.00 0.00 N ATOM 2035 CA VAL A 128 2.125 8.301 -7.676 1.00 0.00 C ATOM 2036 C VAL A 128 3.509 7.779 -7.311 1.00 0.00 C ATOM 2037 O VAL A 128 4.417 7.744 -8.142 1.00 0.00 O ATOM 2038 CB VAL A 128 1.358 7.264 -8.543 1.00 0.00 C ATOM 2039 CG1 VAL A 128 2.101 6.946 -9.830 1.00 0.00 C ATOM 2040 CG2 VAL A 128 1.093 5.992 -7.749 1.00 0.00 C ATOM 0 H VAL A 128 2.824 9.563 -9.190 1.00 0.00 H new ATOM 0 HA VAL A 128 1.526 8.446 -6.777 1.00 0.00 H new ATOM 0 HB VAL A 128 0.402 7.710 -8.818 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.532 6.217 -10.408 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.223 7.858 -10.415 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.082 6.534 -9.592 1.00 0.00 H new ATOM 0 HG21 VAL A 128 0.555 5.279 -8.373 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.041 5.556 -7.434 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.493 6.230 -6.871 1.00 0.00 H new ATOM 2050 N HIS A 129 3.685 7.419 -6.059 1.00 0.00 N ATOM 2051 CA HIS A 129 4.982 6.975 -5.592 1.00 0.00 C ATOM 2052 C HIS A 129 5.068 5.456 -5.593 1.00 0.00 C ATOM 2053 O HIS A 129 6.086 4.887 -5.977 1.00 0.00 O ATOM 2054 CB HIS A 129 5.263 7.538 -4.198 1.00 0.00 C ATOM 2055 CG HIS A 129 6.512 7.005 -3.570 1.00 0.00 C ATOM 2056 ND1 HIS A 129 7.711 6.887 -4.243 1.00 0.00 N ATOM 2057 CD2 HIS A 129 6.733 6.526 -2.326 1.00 0.00 C ATOM 2058 CE1 HIS A 129 8.609 6.357 -3.440 1.00 0.00 C ATOM 2059 NE2 HIS A 129 8.042 6.129 -2.270 1.00 0.00 N ATOM 0 H HIS A 129 2.953 7.424 -5.349 1.00 0.00 H new ATOM 0 HA HIS A 129 5.743 7.351 -6.275 1.00 0.00 H new ATOM 0 HB2 HIS A 129 5.335 8.624 -4.263 1.00 0.00 H new ATOM 0 HB3 HIS A 129 4.417 7.313 -3.549 1.00 0.00 H new ATOM 0 HD2 HIS A 129 6.011 6.467 -1.525 1.00 0.00 H new ATOM 0 HE1 HIS A 129 9.637 6.144 -3.695 1.00 0.00 H new ATOM 0 HE2 HIS A 129 8.504 5.723 -1.456 1.00 0.00 H new ATOM 2067 N SER A 130 4.002 4.804 -5.163 1.00 0.00 N ATOM 2068 CA SER A 130 3.992 3.356 -5.080 1.00 0.00 C ATOM 2069 C SER A 130 2.571 2.837 -4.942 1.00 0.00 C ATOM 2070 O SER A 130 1.803 3.313 -4.104 1.00 0.00 O ATOM 2071 CB SER A 130 4.838 2.889 -3.888 1.00 0.00 C ATOM 2072 OG SER A 130 4.844 1.476 -3.780 1.00 0.00 O ATOM 0 H SER A 130 3.135 5.253 -4.867 1.00 0.00 H new ATOM 0 HA SER A 130 4.420 2.956 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.860 3.251 -4.001 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.446 3.324 -2.969 1.00 0.00 H new ATOM 0 HG SER A 130 4.233 1.200 -3.065 1.00 0.00 H new ATOM 2078 N VAL A 131 2.220 1.885 -5.790 1.00 0.00 N ATOM 2079 CA VAL A 131 0.983 1.150 -5.634 1.00 0.00 C ATOM 2080 C VAL A 131 1.315 -0.277 -5.215 1.00 0.00 C ATOM 2081 O VAL A 131 1.519 -1.162 -6.040 1.00 0.00 O ATOM 2082 CB VAL A 131 0.125 1.158 -6.927 1.00 0.00 C ATOM 2083 CG1 VAL A 131 -0.491 2.529 -7.145 1.00 0.00 C ATOM 2084 CG2 VAL A 131 0.952 0.770 -8.141 1.00 0.00 C ATOM 0 H VAL A 131 2.779 1.605 -6.596 1.00 0.00 H new ATOM 0 HA VAL A 131 0.384 1.638 -4.866 1.00 0.00 H new ATOM 0 HB VAL A 131 -0.668 0.421 -6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -1.090 2.518 -8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -1.126 2.782 -6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 131 0.300 3.273 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 131 0.322 0.785 -9.030 1.00 0.00 H new ATOM 0 HG22 VAL A 131 1.771 1.478 -8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.357 -0.232 -8.000 1.00 0.00 H new ATOM 2094 N SER A 132 1.377 -0.491 -3.918 1.00 0.00 N ATOM 2095 CA SER A 132 1.867 -1.745 -3.387 1.00 0.00 C ATOM 2096 C SER A 132 0.726 -2.728 -3.197 1.00 0.00 C ATOM 2097 O SER A 132 -0.348 -2.358 -2.721 1.00 0.00 O ATOM 2098 CB SER A 132 2.576 -1.493 -2.056 1.00 0.00 C ATOM 2099 OG SER A 132 3.519 -0.441 -2.180 1.00 0.00 O ATOM 0 H SER A 132 1.094 0.188 -3.211 1.00 0.00 H new ATOM 0 HA SER A 132 2.573 -2.178 -4.096 1.00 0.00 H new ATOM 0 HB2 SER A 132 1.843 -1.242 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 132 3.080 -2.403 -1.729 1.00 0.00 H new ATOM 0 HG SER A 132 3.961 -0.294 -1.318 1.00 0.00 H new ATOM 2105 N ALA A 133 0.953 -3.981 -3.557 1.00 0.00 N ATOM 2106 CA ALA A 133 -0.063 -4.990 -3.387 1.00 0.00 C ATOM 2107 C ALA A 133 0.315 -5.858 -2.213 1.00 0.00 C ATOM 2108 O ALA A 133 1.284 -6.602 -2.276 1.00 0.00 O ATOM 2109 CB ALA A 133 -0.218 -5.817 -4.654 1.00 0.00 C ATOM 0 H ALA A 133 1.826 -4.315 -3.965 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.025 -4.517 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -0.990 -6.572 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -0.503 -5.166 -5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 133 0.728 -6.306 -4.887 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.409 -5.728 -1.129 1.00 0.00 N ATOM 2116 CA GLU A 134 -0.083 -6.456 0.070 1.00 0.00 C ATOM 2117 C GLU A 134 -0.939 -7.702 0.169 1.00 0.00 C ATOM 2118 O GLU A 134 -2.169 -7.632 0.152 1.00 0.00 O ATOM 2119 CB GLU A 134 -0.261 -5.572 1.302 1.00 0.00 C ATOM 2120 CG GLU A 134 0.190 -6.235 2.590 1.00 0.00 C ATOM 2121 CD GLU A 134 -0.967 -6.707 3.443 1.00 0.00 C ATOM 2122 OE1 GLU A 134 -1.514 -5.887 4.215 1.00 0.00 O ATOM 2123 OE2 GLU A 134 -1.324 -7.897 3.365 1.00 0.00 O ATOM 0 H GLU A 134 -1.228 -5.125 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 134 0.963 -6.758 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 134 0.301 -4.648 1.162 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -1.311 -5.296 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 134 0.830 -7.085 2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.795 -5.532 3.163 1.00 0.00 H new ATOM 2130 N GLY A 135 -0.276 -8.838 0.232 1.00 0.00 N ATOM 2131 CA GLY A 135 -0.966 -10.094 0.349 1.00 0.00 C ATOM 2132 C GLY A 135 0.000 -11.247 0.414 1.00 0.00 C ATOM 2133 O GLY A 135 0.921 -11.247 1.229 1.00 0.00 O ATOM 0 H GLY A 135 0.741 -8.912 0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -1.588 -10.087 1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -1.634 -10.225 -0.502 1.00 0.00 H new ATOM 2137 N THR A 136 -0.187 -12.215 -0.463 1.00 0.00 N ATOM 2138 CA THR A 136 0.644 -13.409 -0.479 1.00 0.00 C ATOM 2139 C THR A 136 0.823 -13.906 -1.905 1.00 0.00 C ATOM 2140 O THR A 136 -0.084 -13.775 -2.727 1.00 0.00 O ATOM 2141 CB THR A 136 0.010 -14.533 0.370 1.00 0.00 C ATOM 2142 OG1 THR A 136 -1.384 -14.654 0.051 1.00 0.00 O ATOM 2143 CG2 THR A 136 0.170 -14.257 1.854 1.00 0.00 C ATOM 0 H THR A 136 -0.912 -12.199 -1.180 1.00 0.00 H new ATOM 0 HA THR A 136 1.614 -13.147 -0.056 1.00 0.00 H new ATOM 0 HB THR A 136 0.525 -15.465 0.138 1.00 0.00 H new ATOM 0 HG1 THR A 136 -1.919 -14.495 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 136 -0.286 -15.065 2.426 1.00 0.00 H new ATOM 0 HG22 THR A 136 1.230 -14.192 2.100 1.00 0.00 H new ATOM 0 HG23 THR A 136 -0.319 -13.315 2.104 1.00 0.00 H new ATOM 2151 N VAL A 137 1.983 -14.461 -2.206 1.00 0.00 N ATOM 2152 CA VAL A 137 2.214 -15.039 -3.520 1.00 0.00 C ATOM 2153 C VAL A 137 1.526 -16.397 -3.620 1.00 0.00 C ATOM 2154 O VAL A 137 1.966 -17.381 -3.027 1.00 0.00 O ATOM 2155 CB VAL A 137 3.723 -15.169 -3.845 1.00 0.00 C ATOM 2156 CG1 VAL A 137 4.328 -13.802 -4.101 1.00 0.00 C ATOM 2157 CG2 VAL A 137 4.475 -15.871 -2.724 1.00 0.00 C ATOM 0 H VAL A 137 2.774 -14.524 -1.566 1.00 0.00 H new ATOM 0 HA VAL A 137 1.786 -14.361 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 137 3.817 -15.776 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 137 5.389 -13.910 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.822 -13.333 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.208 -13.179 -3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.531 -15.945 -2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 137 4.369 -15.300 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.065 -16.871 -2.581 1.00 0.00 H new ATOM 2167 N VAL A 138 0.417 -16.443 -4.344 1.00 0.00 N ATOM 2168 CA VAL A 138 -0.345 -17.679 -4.451 1.00 0.00 C ATOM 2169 C VAL A 138 0.314 -18.630 -5.447 1.00 0.00 C ATOM 2170 O VAL A 138 0.297 -19.849 -5.262 1.00 0.00 O ATOM 2171 CB VAL A 138 -1.830 -17.421 -4.828 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -1.959 -16.699 -6.158 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -2.616 -18.722 -4.853 1.00 0.00 C ATOM 0 H VAL A 138 0.029 -15.652 -4.859 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.344 -18.148 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 138 -2.249 -16.773 -4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -3.013 -16.538 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.449 -15.737 -6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -1.507 -17.303 -6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.653 -18.516 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.179 -19.397 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.580 -19.188 -3.868 1.00 0.00 H new ATOM 2183 N SER A 139 0.914 -18.069 -6.491 1.00 0.00 N ATOM 2184 CA SER A 139 1.617 -18.861 -7.489 1.00 0.00 C ATOM 2185 C SER A 139 2.679 -18.023 -8.196 1.00 0.00 C ATOM 2186 O SER A 139 2.356 -17.102 -8.945 1.00 0.00 O ATOM 2187 CB SER A 139 0.627 -19.417 -8.515 1.00 0.00 C ATOM 2188 OG SER A 139 -0.374 -20.200 -7.887 1.00 0.00 O ATOM 0 H SER A 139 0.926 -17.064 -6.667 1.00 0.00 H new ATOM 0 HA SER A 139 2.110 -19.690 -6.981 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.162 -18.595 -9.059 1.00 0.00 H new ATOM 0 HB3 SER A 139 1.160 -20.023 -9.248 1.00 0.00 H new ATOM 0 HG SER A 139 -0.995 -20.542 -8.564 1.00 0.00 H new