USER MOD reduce.3.24.130724 H: found=0, std=0, add=1296, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1286 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 82 THR OG1 : rot -61:sc= -0.197 USER MOD Set 1.2: B 71 GLN : amide:sc= -1.4 K(o=-1.6,f=-0.32) USER MOD Set 2.1: B 28 LYS NZ :NH3+ 180:sc= -0.199 (180deg=-0.148) USER MOD Set 2.2: B 29 LYS NZ :NH3+ 177:sc= -1.31 (180deg=-1.29) USER MOD Set 2.3: B 30 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 25 HIS : no HD1:sc= 0.527 K(o=0.56,f=-4.7!) USER MOD Set 3.2: B 26 LYS NZ :NH3+ -132:sc= 0.0365 (180deg=-1.11) USER MOD Set 4.1: A 71 GLN : amide:sc= -1.38 K(o=-1.7,f=-0.33) USER MOD Set 4.2: B 82 THR OG1 : rot -71:sc= -0.303 USER MOD Set 5.1: A 28 LYS NZ :NH3+ -178:sc= -0.121 (180deg=-0.138) USER MOD Set 5.2: A 29 LYS NZ :NH3+ 174:sc= -1.36 (180deg=-1.2) USER MOD Set 5.3: A 30 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 25 HIS : no HD1:sc= 0.466 K(o=0.55,f=-4.6!) USER MOD Set 6.2: A 26 LYS NZ :NH3+ -133:sc= 0.0816 (180deg=-1.09) USER MOD Single : A 1 SER N :NH3+ -154:sc= 0.928 (180deg=0.595) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-5.7!) USER MOD Single : A 16 GLN : amide:sc= -5.92! C(o=-5.9!,f=-8.2!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -71:sc= 0.442 USER MOD Single : A 24 LYS NZ :NH3+ 137:sc= -2.42! (180deg=-5.04!) USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= -2.88 (180deg=-4.75!) USER MOD Single : A 37 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.8!) USER MOD Single : A 38 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.62) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.808 K(o=-0.81,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.0867 (180deg=-0.555) USER MOD Single : A 50 GLN : amide:sc= -5.12! C(o=-5.1!,f=-5.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -179:sc= 0 (180deg=-0.00134) USER MOD Single : A 59 THR OG1 : rot 83:sc= 1.04 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.259 USER MOD Single : A 74 MET CE :methyl -152:sc= -0.2 (180deg=-1.16) USER MOD Single : A 78 SER OG : rot 50:sc= 0 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -87:sc= 0.448 USER MOD Single : B 1 SER N :NH3+ -158:sc= 0.982 (180deg=0.589) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -3.89! C(o=-3.9!,f=-5.9!) USER MOD Single : B 16 GLN : amide:sc= -5.96! C(o=-6!,f=-8.6!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot -71:sc= 0.426 USER MOD Single : B 24 LYS NZ :NH3+ 136:sc= -2.4! (180deg=-5.03!) USER MOD Single : B 33 LYS NZ :NH3+ -126:sc= -2.79! (180deg=-4.68!) USER MOD Single : B 37 ASN : amide:sc= -1.45 K(o=-1.5,f=-3.6!) USER MOD Single : B 38 ASN : amide:sc= -1.68 K(o=-1.7,f=-0.56) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.486 K(o=-0.49,f=-1.4) USER MOD Single : B 48 LYS NZ :NH3+ -160:sc= -0.0696 (180deg=-0.558) USER MOD Single : B 50 GLN : amide:sc= -5.22! C(o=-5.2!,f=-5.8!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 MET CE :methyl -177:sc= 0 (180deg=-0.00765) USER MOD Single : B 59 THR OG1 : rot 89:sc= 1.06 USER MOD Single : B 68 CYS SG : rot 180:sc= -0.262 USER MOD Single : B 74 MET CE :methyl -151:sc= -0.165 (180deg=-1.12) USER MOD Single : B 78 SER OG : rot 50:sc=-0.00844 USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 THR OG1 : rot -87:sc= 0.437 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 1 -10.370 4.597 12.736 1.00 0.00 N ATOM 21 CA SER A 1 -10.487 3.113 12.744 1.00 0.00 C ATOM 22 C SER A 1 -9.092 2.501 12.880 1.00 0.00 C ATOM 23 O SER A 1 -8.092 3.183 12.768 1.00 0.00 O ATOM 24 CB SER A 1 -11.131 2.639 11.439 1.00 0.00 C ATOM 25 OG SER A 1 -10.125 2.497 10.444 1.00 0.00 O ATOM 0 H1 SER A 1 -11.257 5.017 13.081 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.586 4.887 13.355 1.00 0.00 H new ATOM 0 H3 SER A 1 -10.185 4.925 11.767 1.00 0.00 H new ATOM 0 HA SER A 1 -11.109 2.800 13.583 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.641 1.688 11.596 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.885 3.355 11.111 1.00 0.00 H new ATOM 0 HG SER A 1 -10.533 2.192 9.607 1.00 0.00 H new ATOM 31 N GLU A 2 -9.014 1.223 13.126 1.00 0.00 N ATOM 32 CA GLU A 2 -7.680 0.577 13.275 1.00 0.00 C ATOM 33 C GLU A 2 -6.862 0.788 12.000 1.00 0.00 C ATOM 34 O GLU A 2 -5.656 0.930 12.040 1.00 0.00 O ATOM 35 CB GLU A 2 -7.869 -0.922 13.521 1.00 0.00 C ATOM 36 CG GLU A 2 -6.561 -1.527 14.036 1.00 0.00 C ATOM 37 CD GLU A 2 -6.792 -2.992 14.414 1.00 0.00 C ATOM 38 OE1 GLU A 2 -7.444 -3.684 13.650 1.00 0.00 O ATOM 39 OE2 GLU A 2 -6.313 -3.395 15.461 1.00 0.00 O ATOM 0 H GLU A 2 -9.814 0.599 13.230 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.152 1.022 14.118 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.667 -1.084 14.246 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.172 -1.417 12.598 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.788 -1.455 13.271 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.205 -0.968 14.902 1.00 0.00 H new ATOM 46 N LEU A 3 -7.508 0.795 10.865 1.00 0.00 N ATOM 47 CA LEU A 3 -6.768 0.980 9.584 1.00 0.00 C ATOM 48 C LEU A 3 -6.073 2.347 9.578 1.00 0.00 C ATOM 49 O LEU A 3 -4.886 2.447 9.341 1.00 0.00 O ATOM 50 CB LEU A 3 -7.762 0.885 8.408 1.00 0.00 C ATOM 51 CG LEU A 3 -7.057 0.366 7.145 1.00 0.00 C ATOM 52 CD1 LEU A 3 -8.098 0.105 6.054 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.048 1.407 6.648 1.00 0.00 C ATOM 0 H LEU A 3 -8.517 0.680 10.770 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.011 0.203 9.482 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.584 0.219 8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.196 1.865 8.212 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.531 -0.559 7.380 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.600 -0.263 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.813 -0.640 6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.623 1.032 5.823 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.551 1.034 5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.569 2.335 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.305 1.593 7.424 1.00 0.00 H new ATOM 65 N GLU A 4 -6.798 3.403 9.835 1.00 0.00 N ATOM 66 CA GLU A 4 -6.166 4.752 9.837 1.00 0.00 C ATOM 67 C GLU A 4 -4.933 4.733 10.741 1.00 0.00 C ATOM 68 O GLU A 4 -3.867 5.188 10.378 1.00 0.00 O ATOM 69 CB GLU A 4 -7.168 5.785 10.357 1.00 0.00 C ATOM 70 CG GLU A 4 -8.232 6.045 9.289 1.00 0.00 C ATOM 71 CD GLU A 4 -9.397 6.820 9.907 1.00 0.00 C ATOM 72 OE1 GLU A 4 -9.788 6.482 11.012 1.00 0.00 O ATOM 73 OE2 GLU A 4 -9.879 7.737 9.264 1.00 0.00 O ATOM 0 H GLU A 4 -7.797 3.389 10.043 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.868 5.017 8.822 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.637 5.424 11.272 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.654 6.713 10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.802 6.611 8.463 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.587 5.100 8.877 1.00 0.00 H new ATOM 80 N LYS A 5 -5.082 4.195 11.920 1.00 0.00 N ATOM 81 CA LYS A 5 -3.941 4.120 12.875 1.00 0.00 C ATOM 82 C LYS A 5 -2.705 3.559 12.167 1.00 0.00 C ATOM 83 O LYS A 5 -1.597 4.017 12.360 1.00 0.00 O ATOM 84 CB LYS A 5 -4.325 3.173 14.019 1.00 0.00 C ATOM 85 CG LYS A 5 -3.301 3.277 15.165 1.00 0.00 C ATOM 86 CD LYS A 5 -3.648 4.453 16.090 1.00 0.00 C ATOM 87 CE LYS A 5 -2.750 4.407 17.328 1.00 0.00 C ATOM 88 NZ LYS A 5 -3.215 5.422 18.316 1.00 0.00 N ATOM 0 H LYS A 5 -5.956 3.800 12.266 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.718 5.116 13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.320 3.422 14.388 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.368 2.147 13.652 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.289 2.349 15.736 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.300 3.412 14.755 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.512 5.397 15.563 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.696 4.401 16.385 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.776 3.412 17.773 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.715 4.604 17.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.605 5.392 19.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.168 6.369 17.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.196 5.214 18.591 1.00 0.00 H new ATOM 102 N ALA A 6 -2.900 2.553 11.359 1.00 0.00 N ATOM 103 CA ALA A 6 -1.763 1.918 10.634 1.00 0.00 C ATOM 104 C ALA A 6 -1.350 2.754 9.412 1.00 0.00 C ATOM 105 O ALA A 6 -0.198 2.752 9.026 1.00 0.00 O ATOM 106 CB ALA A 6 -2.189 0.506 10.193 1.00 0.00 C ATOM 0 H ALA A 6 -3.812 2.138 11.168 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.901 1.859 11.299 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.367 0.028 9.660 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.447 -0.087 11.071 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.055 0.576 9.535 1.00 0.00 H new ATOM 112 N MET A 7 -2.247 3.474 8.802 1.00 0.00 N ATOM 113 CA MET A 7 -1.831 4.291 7.625 1.00 0.00 C ATOM 114 C MET A 7 -0.792 5.321 8.098 1.00 0.00 C ATOM 115 O MET A 7 0.269 5.476 7.515 1.00 0.00 O ATOM 116 CB MET A 7 -3.064 4.999 7.024 1.00 0.00 C ATOM 117 CG MET A 7 -2.912 5.135 5.500 1.00 0.00 C ATOM 118 SD MET A 7 -3.417 3.582 4.709 1.00 0.00 S ATOM 119 CE MET A 7 -2.047 3.438 3.531 1.00 0.00 C ATOM 0 H MET A 7 -3.232 3.534 9.059 1.00 0.00 H new ATOM 0 HA MET A 7 -1.393 3.657 6.854 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.966 4.433 7.257 1.00 0.00 H new ATOM 0 HB3 MET A 7 -3.181 5.985 7.474 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.524 5.959 5.134 1.00 0.00 H new ATOM 0 HG3 MET A 7 -1.878 5.368 5.245 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.171 2.532 2.937 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.041 4.306 2.872 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.103 3.389 4.075 1.00 0.00 H new ATOM 129 N VAL A 8 -1.088 6.011 9.165 1.00 0.00 N ATOM 130 CA VAL A 8 -0.134 7.021 9.704 1.00 0.00 C ATOM 131 C VAL A 8 1.104 6.311 10.258 1.00 0.00 C ATOM 132 O VAL A 8 2.211 6.796 10.139 1.00 0.00 O ATOM 133 CB VAL A 8 -0.820 7.813 10.822 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.029 9.092 11.108 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.238 8.186 10.379 1.00 0.00 C ATOM 0 H VAL A 8 -1.957 5.917 9.691 1.00 0.00 H new ATOM 0 HA VAL A 8 0.170 7.702 8.909 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.862 7.203 11.725 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.520 9.653 11.904 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.983 8.832 11.418 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.013 9.703 10.206 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.730 8.750 11.171 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.189 8.796 9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.805 7.278 10.173 1.00 0.00 H new ATOM 145 N ALA A 9 0.933 5.160 10.854 1.00 0.00 N ATOM 146 CA ALA A 9 2.112 4.426 11.397 1.00 0.00 C ATOM 147 C ALA A 9 3.102 4.180 10.260 1.00 0.00 C ATOM 148 O ALA A 9 4.279 4.442 10.382 1.00 0.00 O ATOM 149 CB ALA A 9 1.657 3.083 11.971 1.00 0.00 C ATOM 0 H ALA A 9 0.033 4.699 10.987 1.00 0.00 H new ATOM 0 HA ALA A 9 2.585 5.013 12.184 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.519 2.546 12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.936 3.254 12.771 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.191 2.490 11.184 1.00 0.00 H new ATOM 155 N LEU A 10 2.634 3.672 9.156 1.00 0.00 N ATOM 156 CA LEU A 10 3.553 3.405 8.011 1.00 0.00 C ATOM 157 C LEU A 10 4.442 4.629 7.791 1.00 0.00 C ATOM 158 O LEU A 10 5.641 4.521 7.625 1.00 0.00 O ATOM 159 CB LEU A 10 2.703 3.157 6.747 1.00 0.00 C ATOM 160 CG LEU A 10 2.262 1.676 6.679 1.00 0.00 C ATOM 161 CD1 LEU A 10 0.970 1.554 5.864 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.353 0.831 6.005 1.00 0.00 C ATOM 0 H LEU A 10 1.656 3.430 8.995 1.00 0.00 H new ATOM 0 HA LEU A 10 4.175 2.534 8.219 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.826 3.805 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.278 3.413 5.857 1.00 0.00 H new ATOM 0 HG LEU A 10 2.095 1.317 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.665 0.508 5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.184 2.142 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.141 1.925 4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.033 -0.210 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.526 1.199 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.276 0.903 6.580 1.00 0.00 H new ATOM 174 N ILE A 11 3.857 5.796 7.811 1.00 0.00 N ATOM 175 CA ILE A 11 4.666 7.031 7.626 1.00 0.00 C ATOM 176 C ILE A 11 5.679 7.115 8.768 1.00 0.00 C ATOM 177 O ILE A 11 6.834 7.439 8.576 1.00 0.00 O ATOM 178 CB ILE A 11 3.746 8.255 7.667 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.538 8.027 6.748 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.517 9.492 7.201 1.00 0.00 C ATOM 181 CD1 ILE A 11 3.007 7.590 5.356 1.00 0.00 C ATOM 0 H ILE A 11 2.857 5.946 7.947 1.00 0.00 H new ATOM 0 HA ILE A 11 5.181 7.005 6.666 1.00 0.00 H new ATOM 0 HB ILE A 11 3.397 8.408 8.688 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.885 7.266 7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.952 8.943 6.671 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.861 10.362 7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.370 9.658 7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.870 9.338 6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.141 7.431 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.641 8.365 4.926 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.573 6.662 5.437 1.00 0.00 H new ATOM 193 N ASP A 12 5.238 6.816 9.961 1.00 0.00 N ATOM 194 CA ASP A 12 6.139 6.861 11.144 1.00 0.00 C ATOM 195 C ASP A 12 7.429 6.100 10.847 1.00 0.00 C ATOM 196 O ASP A 12 8.521 6.593 11.053 1.00 0.00 O ATOM 197 CB ASP A 12 5.432 6.181 12.330 1.00 0.00 C ATOM 198 CG ASP A 12 6.099 6.606 13.642 1.00 0.00 C ATOM 199 OD1 ASP A 12 7.271 6.311 13.812 1.00 0.00 O ATOM 200 OD2 ASP A 12 5.427 7.221 14.454 1.00 0.00 O ATOM 0 H ASP A 12 4.278 6.539 10.166 1.00 0.00 H new ATOM 0 HA ASP A 12 6.374 7.899 11.378 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.377 6.454 12.342 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.479 5.097 12.221 1.00 0.00 H new ATOM 205 N VAL A 13 7.303 4.880 10.392 1.00 0.00 N ATOM 206 CA VAL A 13 8.514 4.058 10.111 1.00 0.00 C ATOM 207 C VAL A 13 9.183 4.485 8.802 1.00 0.00 C ATOM 208 O VAL A 13 10.389 4.620 8.745 1.00 0.00 O ATOM 209 CB VAL A 13 8.127 2.579 10.057 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.343 1.745 9.647 1.00 0.00 C ATOM 211 CG2 VAL A 13 7.649 2.135 11.443 1.00 0.00 C ATOM 0 H VAL A 13 6.413 4.419 10.203 1.00 0.00 H new ATOM 0 HA VAL A 13 9.234 4.214 10.915 1.00 0.00 H new ATOM 0 HB VAL A 13 7.329 2.436 9.328 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.066 0.692 9.609 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.689 2.065 8.664 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.142 1.884 10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.371 1.081 11.412 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.451 2.278 12.167 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.784 2.730 11.737 1.00 0.00 H new ATOM 221 N PHE A 14 8.447 4.693 7.746 1.00 0.00 N ATOM 222 CA PHE A 14 9.121 5.098 6.477 1.00 0.00 C ATOM 223 C PHE A 14 10.023 6.302 6.760 1.00 0.00 C ATOM 224 O PHE A 14 11.062 6.475 6.153 1.00 0.00 O ATOM 225 CB PHE A 14 8.086 5.469 5.413 1.00 0.00 C ATOM 226 CG PHE A 14 8.799 5.792 4.118 1.00 0.00 C ATOM 227 CD1 PHE A 14 9.140 4.765 3.229 1.00 0.00 C ATOM 228 CD2 PHE A 14 9.120 7.119 3.807 1.00 0.00 C ATOM 229 CE1 PHE A 14 9.803 5.065 2.031 1.00 0.00 C ATOM 230 CE2 PHE A 14 9.782 7.420 2.608 1.00 0.00 C ATOM 231 CZ PHE A 14 10.123 6.393 1.721 1.00 0.00 C ATOM 0 H PHE A 14 7.432 4.603 7.703 1.00 0.00 H new ATOM 0 HA PHE A 14 9.714 4.264 6.103 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.389 4.644 5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.499 6.326 5.743 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.892 3.741 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.857 7.912 4.492 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.067 4.272 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.029 8.444 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.633 6.624 0.797 1.00 0.00 H new ATOM 241 N HIS A 15 9.623 7.136 7.683 1.00 0.00 N ATOM 242 CA HIS A 15 10.438 8.335 8.021 1.00 0.00 C ATOM 243 C HIS A 15 11.594 7.937 8.945 1.00 0.00 C ATOM 244 O HIS A 15 12.651 8.536 8.927 1.00 0.00 O ATOM 245 CB HIS A 15 9.552 9.362 8.729 1.00 0.00 C ATOM 246 CG HIS A 15 10.377 10.556 9.128 1.00 0.00 C ATOM 247 ND1 HIS A 15 11.436 10.460 10.017 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.303 11.880 8.773 1.00 0.00 C ATOM 249 CE1 HIS A 15 11.952 11.694 10.167 1.00 0.00 C ATOM 250 NE2 HIS A 15 11.298 12.597 9.430 1.00 0.00 N ATOM 0 H HIS A 15 8.761 7.036 8.219 1.00 0.00 H new ATOM 0 HA HIS A 15 10.844 8.765 7.106 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.741 9.672 8.070 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.093 8.914 9.610 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.582 12.301 8.088 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.792 11.926 10.805 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.488 13.597 9.363 1.00 0.00 H new ATOM 258 N GLN A 16 11.391 6.940 9.766 1.00 0.00 N ATOM 259 CA GLN A 16 12.466 6.515 10.709 1.00 0.00 C ATOM 260 C GLN A 16 13.749 6.215 9.933 1.00 0.00 C ATOM 261 O GLN A 16 14.825 6.624 10.321 1.00 0.00 O ATOM 262 CB GLN A 16 12.016 5.265 11.474 1.00 0.00 C ATOM 263 CG GLN A 16 13.052 4.906 12.548 1.00 0.00 C ATOM 264 CD GLN A 16 14.242 4.191 11.904 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.072 3.391 11.006 1.00 0.00 O ATOM 266 NE2 GLN A 16 15.450 4.446 12.329 1.00 0.00 N ATOM 0 H GLN A 16 10.527 6.402 9.824 1.00 0.00 H new ATOM 0 HA GLN A 16 12.660 7.320 11.418 1.00 0.00 H new ATOM 0 HB2 GLN A 16 11.046 5.442 11.938 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.892 4.431 10.783 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.390 5.809 13.056 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.598 4.266 13.305 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.594 5.118 13.083 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.249 3.974 11.907 1.00 0.00 H new ATOM 275 N TYR A 17 13.653 5.508 8.841 1.00 0.00 N ATOM 276 CA TYR A 17 14.876 5.195 8.052 1.00 0.00 C ATOM 277 C TYR A 17 15.356 6.468 7.356 1.00 0.00 C ATOM 278 O TYR A 17 16.521 6.811 7.400 1.00 0.00 O ATOM 279 CB TYR A 17 14.550 4.124 7.000 1.00 0.00 C ATOM 280 CG TYR A 17 14.549 2.753 7.643 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.588 2.437 8.611 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.509 1.800 7.273 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.585 1.170 9.207 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.505 0.534 7.869 1.00 0.00 C ATOM 285 CZ TYR A 17 14.544 0.218 8.836 1.00 0.00 C ATOM 286 OH TYR A 17 14.541 -1.030 9.424 1.00 0.00 O ATOM 0 H TYR A 17 12.783 5.135 8.462 1.00 0.00 H new ATOM 0 HA TYR A 17 15.656 4.820 8.714 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.577 4.326 6.552 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.284 4.157 6.195 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.849 3.171 8.898 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.252 2.043 6.528 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.843 0.926 9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.244 -0.200 7.583 1.00 0.00 H new ATOM 0 HH TYR A 17 15.271 -1.568 9.053 1.00 0.00 H new ATOM 296 N SER A 18 14.463 7.170 6.709 1.00 0.00 N ATOM 297 CA SER A 18 14.856 8.423 5.998 1.00 0.00 C ATOM 298 C SER A 18 14.526 9.641 6.865 1.00 0.00 C ATOM 299 O SER A 18 13.776 10.508 6.461 1.00 0.00 O ATOM 300 CB SER A 18 14.082 8.517 4.683 1.00 0.00 C ATOM 301 OG SER A 18 12.687 8.485 4.954 1.00 0.00 O ATOM 0 H SER A 18 13.474 6.929 6.642 1.00 0.00 H new ATOM 0 HA SER A 18 15.928 8.403 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.341 9.438 4.160 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.355 7.690 4.027 1.00 0.00 H new ATOM 0 HG SER A 18 12.430 7.584 5.242 1.00 0.00 H new ATOM 307 N GLY A 19 15.099 9.730 8.045 1.00 0.00 N ATOM 308 CA GLY A 19 14.849 10.909 8.939 1.00 0.00 C ATOM 309 C GLY A 19 16.186 11.617 9.159 1.00 0.00 C ATOM 310 O GLY A 19 16.241 12.743 9.612 1.00 0.00 O ATOM 0 H GLY A 19 15.734 9.030 8.429 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.127 11.587 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.427 10.585 9.890 1.00 0.00 H new ATOM 314 N ARG A 20 17.262 10.973 8.803 1.00 0.00 N ATOM 315 CA ARG A 20 18.604 11.603 8.943 1.00 0.00 C ATOM 316 C ARG A 20 18.682 12.819 8.022 1.00 0.00 C ATOM 317 O ARG A 20 19.357 13.780 8.334 1.00 0.00 O ATOM 318 CB ARG A 20 19.697 10.597 8.574 1.00 0.00 C ATOM 319 CG ARG A 20 19.362 9.941 7.232 1.00 0.00 C ATOM 320 CD ARG A 20 20.515 9.027 6.809 1.00 0.00 C ATOM 321 NE ARG A 20 20.368 8.677 5.368 1.00 0.00 N ATOM 322 CZ ARG A 20 21.365 8.134 4.724 1.00 0.00 C ATOM 323 NH1 ARG A 20 22.531 8.024 5.300 1.00 0.00 N ATOM 324 NH2 ARG A 20 21.195 7.701 3.505 1.00 0.00 N ATOM 0 H ARG A 20 17.269 10.029 8.418 1.00 0.00 H new ATOM 0 HA ARG A 20 18.754 11.916 9.976 1.00 0.00 H new ATOM 0 HB2 ARG A 20 20.662 11.100 8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 20 19.782 9.837 9.350 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.440 9.366 7.316 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.193 10.705 6.474 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.469 9.526 6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.517 8.122 7.416 1.00 0.00 H new ATOM 0 HE ARG A 20 19.489 8.862 4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.663 8.362 6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.310 7.600 4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 20 20.283 7.787 3.056 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.974 7.277 3.001 1.00 0.00 H new ATOM 338 N GLU A 21 17.990 12.821 6.911 1.00 0.00 N ATOM 339 CA GLU A 21 18.039 14.029 6.027 1.00 0.00 C ATOM 340 C GLU A 21 16.698 14.212 5.315 1.00 0.00 C ATOM 341 O GLU A 21 16.172 15.306 5.251 1.00 0.00 O ATOM 342 CB GLU A 21 19.151 13.865 4.986 1.00 0.00 C ATOM 343 CG GLU A 21 20.488 13.629 5.691 1.00 0.00 C ATOM 344 CD GLU A 21 21.625 13.709 4.670 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.612 12.922 3.737 1.00 0.00 O ATOM 346 OE2 GLU A 21 22.488 14.554 4.839 1.00 0.00 O ATOM 0 H GLU A 21 17.403 12.055 6.580 1.00 0.00 H new ATOM 0 HA GLU A 21 18.242 14.907 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 21 18.924 13.027 4.326 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.211 14.756 4.361 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.635 14.373 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 21 20.488 12.653 6.176 1.00 0.00 H new ATOM 353 N GLY A 22 16.133 13.162 4.781 1.00 0.00 N ATOM 354 CA GLY A 22 14.823 13.299 4.076 1.00 0.00 C ATOM 355 C GLY A 22 14.881 14.494 3.121 1.00 0.00 C ATOM 356 O GLY A 22 13.870 14.947 2.622 1.00 0.00 O ATOM 0 H GLY A 22 16.519 12.218 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.599 12.387 3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.020 13.437 4.801 1.00 0.00 H new ATOM 360 N ASP A 23 16.052 15.011 2.861 1.00 0.00 N ATOM 361 CA ASP A 23 16.156 16.176 1.937 1.00 0.00 C ATOM 362 C ASP A 23 15.362 15.865 0.669 1.00 0.00 C ATOM 363 O ASP A 23 14.445 16.576 0.307 1.00 0.00 O ATOM 364 CB ASP A 23 17.624 16.418 1.579 1.00 0.00 C ATOM 365 CG ASP A 23 17.731 17.648 0.675 1.00 0.00 C ATOM 366 OD1 ASP A 23 17.507 17.505 -0.515 1.00 0.00 O ATOM 367 OD2 ASP A 23 18.035 18.711 1.189 1.00 0.00 O ATOM 0 H ASP A 23 16.936 14.679 3.246 1.00 0.00 H new ATOM 0 HA ASP A 23 15.756 17.070 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.211 16.567 2.485 1.00 0.00 H new ATOM 0 HB3 ASP A 23 18.035 15.544 1.073 1.00 0.00 H new ATOM 372 N LYS A 24 15.691 14.791 0.003 1.00 0.00 N ATOM 373 CA LYS A 24 14.939 14.412 -1.228 1.00 0.00 C ATOM 374 C LYS A 24 13.771 13.508 -0.820 1.00 0.00 C ATOM 375 O LYS A 24 13.773 12.922 0.245 1.00 0.00 O ATOM 376 CB LYS A 24 15.876 13.668 -2.185 1.00 0.00 C ATOM 377 CG LYS A 24 16.406 12.388 -1.517 1.00 0.00 C ATOM 378 CD LYS A 24 17.735 11.969 -2.161 1.00 0.00 C ATOM 379 CE LYS A 24 17.565 11.830 -3.679 1.00 0.00 C ATOM 380 NZ LYS A 24 17.658 13.174 -4.318 1.00 0.00 N ATOM 0 H LYS A 24 16.449 14.159 0.259 1.00 0.00 H new ATOM 0 HA LYS A 24 14.557 15.300 -1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.345 13.415 -3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.709 14.313 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.548 12.557 -0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.675 11.586 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.504 12.709 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 24 18.071 11.023 -1.737 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.334 11.171 -4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.602 11.374 -3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.240 13.110 -5.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.705 13.506 -4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.094 13.845 -3.654 1.00 0.00 H new ATOM 394 N HIS A 25 12.785 13.373 -1.670 1.00 0.00 N ATOM 395 CA HIS A 25 11.614 12.490 -1.364 1.00 0.00 C ATOM 396 C HIS A 25 11.659 11.303 -2.324 1.00 0.00 C ATOM 397 O HIS A 25 10.664 10.924 -2.910 1.00 0.00 O ATOM 398 CB HIS A 25 10.316 13.272 -1.578 1.00 0.00 C ATOM 399 CG HIS A 25 10.264 13.784 -2.992 1.00 0.00 C ATOM 400 ND1 HIS A 25 11.136 14.754 -3.459 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.449 13.470 -4.052 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.829 14.988 -4.749 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.808 14.232 -5.160 1.00 0.00 N ATOM 0 H HIS A 25 12.739 13.842 -2.575 1.00 0.00 H new ATOM 0 HA HIS A 25 11.653 12.147 -0.330 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.457 12.631 -1.380 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.261 14.104 -0.877 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.651 12.743 -4.029 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.346 15.700 -5.375 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.383 14.216 -6.087 1.00 0.00 H new ATOM 411 N LYS A 26 12.818 10.717 -2.484 1.00 0.00 N ATOM 412 CA LYS A 26 12.969 9.547 -3.403 1.00 0.00 C ATOM 413 C LYS A 26 13.759 8.437 -2.698 1.00 0.00 C ATOM 414 O LYS A 26 14.609 8.702 -1.871 1.00 0.00 O ATOM 415 CB LYS A 26 13.720 9.989 -4.665 1.00 0.00 C ATOM 416 CG LYS A 26 13.205 11.360 -5.114 1.00 0.00 C ATOM 417 CD LYS A 26 13.886 11.758 -6.425 1.00 0.00 C ATOM 418 CE LYS A 26 13.167 12.967 -7.028 1.00 0.00 C ATOM 419 NZ LYS A 26 11.748 12.610 -7.316 1.00 0.00 N ATOM 0 H LYS A 26 13.676 11.002 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 26 11.984 9.169 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.790 10.039 -4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.578 9.257 -5.460 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.124 11.328 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.408 12.106 -4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.934 11.998 -6.245 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.866 10.923 -7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.208 13.809 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.667 13.281 -7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.498 12.928 -8.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.629 11.579 -7.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.126 13.074 -6.624 1.00 0.00 H new ATOM 433 N LEU A 27 13.484 7.197 -3.024 1.00 0.00 N ATOM 434 CA LEU A 27 14.211 6.050 -2.387 1.00 0.00 C ATOM 435 C LEU A 27 14.840 5.194 -3.488 1.00 0.00 C ATOM 436 O LEU A 27 14.265 5.011 -4.543 1.00 0.00 O ATOM 437 CB LEU A 27 13.213 5.203 -1.586 1.00 0.00 C ATOM 438 CG LEU A 27 13.967 4.237 -0.648 1.00 0.00 C ATOM 439 CD1 LEU A 27 14.405 4.960 0.635 1.00 0.00 C ATOM 440 CD2 LEU A 27 13.047 3.071 -0.270 1.00 0.00 C ATOM 0 H LEU A 27 12.780 6.927 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 27 14.988 6.422 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.560 5.852 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.576 4.638 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 27 14.851 3.868 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.935 4.262 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.065 5.789 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.527 5.343 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.579 2.388 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.163 3.455 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.744 2.539 -1.172 1.00 0.00 H new ATOM 452 N LYS A 28 16.020 4.668 -3.260 1.00 0.00 N ATOM 453 CA LYS A 28 16.680 3.828 -4.309 1.00 0.00 C ATOM 454 C LYS A 28 16.330 2.353 -4.083 1.00 0.00 C ATOM 455 O LYS A 28 15.993 1.945 -2.990 1.00 0.00 O ATOM 456 CB LYS A 28 18.198 4.017 -4.237 1.00 0.00 C ATOM 457 CG LYS A 28 18.842 3.511 -5.531 1.00 0.00 C ATOM 458 CD LYS A 28 20.341 3.815 -5.510 1.00 0.00 C ATOM 459 CE LYS A 28 20.919 3.629 -6.915 1.00 0.00 C ATOM 460 NZ LYS A 28 20.792 2.201 -7.321 1.00 0.00 N ATOM 0 H LYS A 28 16.552 4.783 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 28 16.326 4.134 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.437 5.070 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.602 3.475 -3.382 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.679 2.438 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.376 3.989 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.511 4.836 -5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.847 3.154 -4.806 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.392 4.268 -7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.966 3.931 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 21.215 2.069 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 21.285 1.599 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.786 1.938 -7.354 1.00 0.00 H new ATOM 474 N LYS A 29 16.408 1.552 -5.110 1.00 0.00 N ATOM 475 CA LYS A 29 16.082 0.103 -4.969 1.00 0.00 C ATOM 476 C LYS A 29 17.031 -0.565 -3.961 1.00 0.00 C ATOM 477 O LYS A 29 16.632 -1.409 -3.183 1.00 0.00 O ATOM 478 CB LYS A 29 16.243 -0.577 -6.340 1.00 0.00 C ATOM 479 CG LYS A 29 17.509 -0.051 -7.059 1.00 0.00 C ATOM 480 CD LYS A 29 18.113 -1.154 -7.939 1.00 0.00 C ATOM 481 CE LYS A 29 19.404 -0.645 -8.583 1.00 0.00 C ATOM 482 NZ LYS A 29 19.115 0.584 -9.374 1.00 0.00 N ATOM 0 H LYS A 29 16.686 1.841 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 29 15.058 -0.000 -4.610 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.313 -1.657 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 29 15.363 -0.385 -6.954 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.256 0.815 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.242 0.281 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.319 -2.041 -7.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.401 -1.449 -8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.146 -0.429 -7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.829 -1.414 -9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.006 0.987 -9.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.501 0.343 -10.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.636 1.281 -8.769 1.00 0.00 H new ATOM 496 N SER A 30 18.284 -0.211 -3.991 1.00 0.00 N ATOM 497 CA SER A 30 19.272 -0.836 -3.064 1.00 0.00 C ATOM 498 C SER A 30 18.859 -0.634 -1.604 1.00 0.00 C ATOM 499 O SER A 30 18.981 -1.527 -0.780 1.00 0.00 O ATOM 500 CB SER A 30 20.639 -0.191 -3.287 1.00 0.00 C ATOM 501 OG SER A 30 21.065 -0.442 -4.620 1.00 0.00 O ATOM 0 H SER A 30 18.671 0.490 -4.623 1.00 0.00 H new ATOM 0 HA SER A 30 19.313 -1.906 -3.269 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.581 0.883 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.364 -0.594 -2.579 1.00 0.00 H new ATOM 0 HG SER A 30 21.941 -0.028 -4.767 1.00 0.00 H new ATOM 507 N GLU A 31 18.365 0.530 -1.267 1.00 0.00 N ATOM 508 CA GLU A 31 17.960 0.762 0.151 1.00 0.00 C ATOM 509 C GLU A 31 16.589 0.133 0.376 1.00 0.00 C ATOM 510 O GLU A 31 16.291 -0.378 1.438 1.00 0.00 O ATOM 511 CB GLU A 31 17.918 2.260 0.458 1.00 0.00 C ATOM 512 CG GLU A 31 19.336 2.834 0.410 1.00 0.00 C ATOM 513 CD GLU A 31 20.151 2.285 1.582 1.00 0.00 C ATOM 514 OE1 GLU A 31 19.720 2.459 2.710 1.00 0.00 O ATOM 515 OE2 GLU A 31 21.192 1.700 1.332 1.00 0.00 O ATOM 0 H GLU A 31 18.226 1.317 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 31 18.689 0.304 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 31 17.283 2.772 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.480 2.428 1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 31 19.814 2.571 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.301 3.922 0.457 1.00 0.00 H new ATOM 522 N LEU A 32 15.759 0.146 -0.633 1.00 0.00 N ATOM 523 CA LEU A 32 14.416 -0.475 -0.496 1.00 0.00 C ATOM 524 C LEU A 32 14.611 -1.961 -0.188 1.00 0.00 C ATOM 525 O LEU A 32 13.961 -2.511 0.673 1.00 0.00 O ATOM 526 CB LEU A 32 13.626 -0.285 -1.803 1.00 0.00 C ATOM 527 CG LEU A 32 12.114 -0.336 -1.536 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.369 0.059 -2.816 1.00 0.00 C ATOM 529 CD2 LEU A 32 11.693 -1.755 -1.107 1.00 0.00 C ATOM 0 H LEU A 32 15.956 0.560 -1.544 1.00 0.00 H new ATOM 0 HA LEU A 32 13.852 -0.007 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.888 0.671 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.901 -1.062 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 32 11.866 0.357 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.294 0.026 -2.636 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.657 1.069 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.625 -0.636 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.619 -1.775 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.938 -2.462 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.224 -2.032 -0.196 1.00 0.00 H new ATOM 541 N LYS A 33 15.489 -2.634 -0.880 1.00 0.00 N ATOM 542 CA LYS A 33 15.673 -4.081 -0.593 1.00 0.00 C ATOM 543 C LYS A 33 15.915 -4.265 0.903 1.00 0.00 C ATOM 544 O LYS A 33 15.218 -5.001 1.572 1.00 0.00 O ATOM 545 CB LYS A 33 16.879 -4.611 -1.371 1.00 0.00 C ATOM 546 CG LYS A 33 16.528 -4.721 -2.856 1.00 0.00 C ATOM 547 CD LYS A 33 17.780 -5.103 -3.647 1.00 0.00 C ATOM 548 CE LYS A 33 17.427 -5.247 -5.128 1.00 0.00 C ATOM 549 NZ LYS A 33 17.203 -3.897 -5.718 1.00 0.00 N ATOM 0 H LYS A 33 16.077 -2.251 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 33 14.781 -4.630 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.731 -3.945 -1.237 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.173 -5.587 -0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.749 -5.470 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.131 -3.773 -3.218 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.550 -4.342 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.190 -6.039 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.232 -5.758 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 33 16.532 -5.859 -5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.286 -3.880 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.205 -3.183 -4.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.962 -3.684 -6.397 1.00 0.00 H new ATOM 563 N GLU A 34 16.917 -3.613 1.426 1.00 0.00 N ATOM 564 CA GLU A 34 17.220 -3.770 2.881 1.00 0.00 C ATOM 565 C GLU A 34 15.931 -3.614 3.700 1.00 0.00 C ATOM 566 O GLU A 34 15.744 -4.281 4.698 1.00 0.00 O ATOM 567 CB GLU A 34 18.242 -2.717 3.315 1.00 0.00 C ATOM 568 CG GLU A 34 18.779 -3.067 4.705 1.00 0.00 C ATOM 569 CD GLU A 34 19.736 -4.255 4.599 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.831 -4.066 4.095 1.00 0.00 O ATOM 571 OE2 GLU A 34 19.359 -5.335 5.025 1.00 0.00 O ATOM 0 H GLU A 34 17.536 -2.983 0.916 1.00 0.00 H new ATOM 0 HA GLU A 34 17.636 -4.763 3.055 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.061 -2.673 2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.779 -1.730 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.295 -2.208 5.134 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.954 -3.310 5.375 1.00 0.00 H new ATOM 578 N LEU A 35 15.035 -2.754 3.295 1.00 0.00 N ATOM 579 CA LEU A 35 13.765 -2.591 4.070 1.00 0.00 C ATOM 580 C LEU A 35 12.939 -3.882 3.968 1.00 0.00 C ATOM 581 O LEU A 35 12.350 -4.321 4.936 1.00 0.00 O ATOM 582 CB LEU A 35 12.957 -1.396 3.522 1.00 0.00 C ATOM 583 CG LEU A 35 13.393 -0.088 4.218 1.00 0.00 C ATOM 584 CD1 LEU A 35 13.101 1.107 3.304 1.00 0.00 C ATOM 585 CD2 LEU A 35 12.619 0.091 5.531 1.00 0.00 C ATOM 0 H LEU A 35 15.123 -2.161 2.470 1.00 0.00 H new ATOM 0 HA LEU A 35 14.002 -2.396 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.107 -1.310 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 35 11.892 -1.564 3.683 1.00 0.00 H new ATOM 0 HG LEU A 35 14.461 -0.142 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.410 2.028 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.652 0.994 2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.033 1.150 3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.933 1.016 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.551 0.136 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.823 -0.752 6.192 1.00 0.00 H new ATOM 597 N ILE A 36 12.901 -4.508 2.825 1.00 0.00 N ATOM 598 CA ILE A 36 12.128 -5.777 2.690 1.00 0.00 C ATOM 599 C ILE A 36 12.702 -6.832 3.640 1.00 0.00 C ATOM 600 O ILE A 36 11.990 -7.664 4.165 1.00 0.00 O ATOM 601 CB ILE A 36 12.255 -6.275 1.244 1.00 0.00 C ATOM 602 CG1 ILE A 36 11.819 -5.155 0.295 1.00 0.00 C ATOM 603 CG2 ILE A 36 11.357 -7.501 1.031 1.00 0.00 C ATOM 604 CD1 ILE A 36 11.791 -5.670 -1.145 1.00 0.00 C ATOM 0 H ILE A 36 13.372 -4.196 1.976 1.00 0.00 H new ATOM 0 HA ILE A 36 11.081 -5.602 2.938 1.00 0.00 H new ATOM 0 HB ILE A 36 13.290 -6.554 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 36 10.832 -4.791 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.505 -4.312 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 36 11.453 -7.848 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 36 11.660 -8.296 1.712 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.319 -7.231 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.480 -4.867 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 36 12.786 -6.012 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.087 -6.499 -1.221 1.00 0.00 H new ATOM 616 N ASN A 37 13.991 -6.828 3.830 1.00 0.00 N ATOM 617 CA ASN A 37 14.627 -7.854 4.705 1.00 0.00 C ATOM 618 C ASN A 37 14.200 -7.693 6.170 1.00 0.00 C ATOM 619 O ASN A 37 14.122 -8.661 6.900 1.00 0.00 O ATOM 620 CB ASN A 37 16.148 -7.714 4.612 1.00 0.00 C ATOM 621 CG ASN A 37 16.814 -8.718 5.556 1.00 0.00 C ATOM 622 OD1 ASN A 37 16.682 -8.616 6.760 1.00 0.00 O ATOM 623 ND2 ASN A 37 17.527 -9.690 5.058 1.00 0.00 N ATOM 0 H ASN A 37 14.636 -6.155 3.415 1.00 0.00 H new ATOM 0 HA ASN A 37 14.305 -8.838 4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 37 16.478 -7.889 3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.447 -6.699 4.874 1.00 0.00 H new ATOM 0 HD21 ASN A 37 17.974 -10.365 5.679 1.00 0.00 H new ATOM 0 HD22 ASN A 37 17.638 -9.775 4.048 1.00 0.00 H new ATOM 630 N ASN A 38 13.957 -6.484 6.619 1.00 0.00 N ATOM 631 CA ASN A 38 13.574 -6.268 8.057 1.00 0.00 C ATOM 632 C ASN A 38 12.098 -5.874 8.188 1.00 0.00 C ATOM 633 O ASN A 38 11.528 -5.958 9.257 1.00 0.00 O ATOM 634 CB ASN A 38 14.438 -5.145 8.633 1.00 0.00 C ATOM 635 CG ASN A 38 14.021 -4.867 10.078 1.00 0.00 C ATOM 636 OD1 ASN A 38 14.634 -5.358 11.005 1.00 0.00 O ATOM 637 ND2 ASN A 38 12.995 -4.094 10.311 1.00 0.00 N ATOM 0 H ASN A 38 14.007 -5.636 6.054 1.00 0.00 H new ATOM 0 HA ASN A 38 13.731 -7.200 8.600 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.490 -5.426 8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 38 14.327 -4.243 8.032 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.708 -3.902 11.271 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.480 -3.682 9.533 1.00 0.00 H new ATOM 644 N GLU A 39 11.475 -5.425 7.130 1.00 0.00 N ATOM 645 CA GLU A 39 10.039 -5.006 7.231 1.00 0.00 C ATOM 646 C GLU A 39 9.110 -6.142 6.792 1.00 0.00 C ATOM 647 O GLU A 39 7.989 -6.238 7.249 1.00 0.00 O ATOM 648 CB GLU A 39 9.808 -3.796 6.324 1.00 0.00 C ATOM 649 CG GLU A 39 10.717 -2.645 6.763 1.00 0.00 C ATOM 650 CD GLU A 39 10.308 -2.175 8.160 1.00 0.00 C ATOM 651 OE1 GLU A 39 9.188 -2.454 8.554 1.00 0.00 O ATOM 652 OE2 GLU A 39 11.123 -1.543 8.813 1.00 0.00 O ATOM 0 H GLU A 39 11.892 -5.329 6.204 1.00 0.00 H new ATOM 0 HA GLU A 39 9.820 -4.754 8.268 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.015 -4.061 5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.764 -3.487 6.372 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.757 -2.971 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.644 -1.820 6.055 1.00 0.00 H new ATOM 659 N LEU A 40 9.567 -7.004 5.919 1.00 0.00 N ATOM 660 CA LEU A 40 8.714 -8.146 5.446 1.00 0.00 C ATOM 661 C LEU A 40 9.351 -9.467 5.901 1.00 0.00 C ATOM 662 O LEU A 40 9.221 -10.489 5.258 1.00 0.00 O ATOM 663 CB LEU A 40 8.628 -8.105 3.906 1.00 0.00 C ATOM 664 CG LEU A 40 7.447 -7.226 3.456 1.00 0.00 C ATOM 665 CD1 LEU A 40 7.482 -5.872 4.184 1.00 0.00 C ATOM 666 CD2 LEU A 40 7.534 -7.001 1.941 1.00 0.00 C ATOM 0 H LEU A 40 10.500 -6.968 5.509 1.00 0.00 H new ATOM 0 HA LEU A 40 7.711 -8.067 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.558 -7.714 3.494 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.507 -9.115 3.515 1.00 0.00 H new ATOM 0 HG LEU A 40 6.512 -7.730 3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.641 -5.261 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.414 -6.035 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.415 -5.359 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.700 -6.379 1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.473 -6.503 1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.491 -7.961 1.427 1.00 0.00 H new ATOM 678 N SER A 41 10.046 -9.444 7.007 1.00 0.00 N ATOM 679 CA SER A 41 10.701 -10.686 7.509 1.00 0.00 C ATOM 680 C SER A 41 9.650 -11.649 8.069 1.00 0.00 C ATOM 681 O SER A 41 9.859 -12.844 8.117 1.00 0.00 O ATOM 682 CB SER A 41 11.697 -10.327 8.611 1.00 0.00 C ATOM 683 OG SER A 41 12.059 -11.507 9.317 1.00 0.00 O ATOM 0 H SER A 41 10.188 -8.616 7.586 1.00 0.00 H new ATOM 0 HA SER A 41 11.223 -11.169 6.683 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.583 -9.861 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.256 -9.601 9.294 1.00 0.00 H new ATOM 0 HG SER A 41 12.699 -11.282 10.024 1.00 0.00 H new ATOM 689 N HIS A 42 8.526 -11.147 8.502 1.00 0.00 N ATOM 690 CA HIS A 42 7.479 -12.051 9.059 1.00 0.00 C ATOM 691 C HIS A 42 6.826 -12.841 7.922 1.00 0.00 C ATOM 692 O HIS A 42 6.559 -14.020 8.048 1.00 0.00 O ATOM 693 CB HIS A 42 6.416 -11.219 9.785 1.00 0.00 C ATOM 694 CG HIS A 42 6.956 -10.758 11.112 1.00 0.00 C ATOM 695 ND1 HIS A 42 8.286 -10.920 11.463 1.00 0.00 N ATOM 696 CD2 HIS A 42 6.357 -10.143 12.183 1.00 0.00 C ATOM 697 CE1 HIS A 42 8.444 -10.413 12.699 1.00 0.00 C ATOM 698 NE2 HIS A 42 7.299 -9.926 13.185 1.00 0.00 N ATOM 0 H HIS A 42 8.288 -10.155 8.495 1.00 0.00 H new ATOM 0 HA HIS A 42 7.937 -12.745 9.764 1.00 0.00 H new ATOM 0 HB2 HIS A 42 6.135 -10.359 9.177 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.514 -11.813 9.934 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.314 -9.869 12.240 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.382 -10.401 13.233 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.147 -9.489 14.094 1.00 0.00 H new ATOM 706 N PHE A 43 6.566 -12.204 6.814 1.00 0.00 N ATOM 707 CA PHE A 43 5.931 -12.923 5.674 1.00 0.00 C ATOM 708 C PHE A 43 6.954 -13.863 5.030 1.00 0.00 C ATOM 709 O PHE A 43 6.606 -14.774 4.308 1.00 0.00 O ATOM 710 CB PHE A 43 5.449 -11.906 4.636 1.00 0.00 C ATOM 711 CG PHE A 43 4.401 -11.009 5.252 1.00 0.00 C ATOM 712 CD1 PHE A 43 3.056 -11.402 5.259 1.00 0.00 C ATOM 713 CD2 PHE A 43 4.773 -9.781 5.813 1.00 0.00 C ATOM 714 CE1 PHE A 43 2.086 -10.568 5.827 1.00 0.00 C ATOM 715 CE2 PHE A 43 3.802 -8.947 6.380 1.00 0.00 C ATOM 716 CZ PHE A 43 2.458 -9.340 6.387 1.00 0.00 C ATOM 0 H PHE A 43 6.766 -11.217 6.649 1.00 0.00 H new ATOM 0 HA PHE A 43 5.083 -13.503 6.037 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.289 -11.309 4.280 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.036 -12.423 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.768 -12.349 4.826 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.809 -9.477 5.808 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.050 -10.872 5.833 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.090 -8.000 6.812 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.709 -8.696 6.824 1.00 0.00 H new ATOM 726 N LEU A 44 8.216 -13.638 5.278 1.00 0.00 N ATOM 727 CA LEU A 44 9.273 -14.501 4.672 1.00 0.00 C ATOM 728 C LEU A 44 8.900 -15.978 4.823 1.00 0.00 C ATOM 729 O LEU A 44 9.199 -16.792 3.971 1.00 0.00 O ATOM 730 CB LEU A 44 10.604 -14.234 5.388 1.00 0.00 C ATOM 731 CG LEU A 44 11.691 -15.198 4.889 1.00 0.00 C ATOM 732 CD1 LEU A 44 11.806 -15.120 3.361 1.00 0.00 C ATOM 733 CD2 LEU A 44 13.030 -14.812 5.527 1.00 0.00 C ATOM 0 H LEU A 44 8.563 -12.889 5.878 1.00 0.00 H new ATOM 0 HA LEU A 44 9.365 -14.268 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.916 -13.204 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.474 -14.350 6.464 1.00 0.00 H new ATOM 0 HG LEU A 44 11.427 -16.218 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.580 -15.808 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.852 -15.393 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.068 -14.104 3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.808 -15.491 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.286 -13.791 5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.949 -14.879 6.612 1.00 0.00 H new ATOM 745 N GLU A 45 8.270 -16.336 5.905 1.00 0.00 N ATOM 746 CA GLU A 45 7.902 -17.765 6.115 1.00 0.00 C ATOM 747 C GLU A 45 6.598 -18.096 5.380 1.00 0.00 C ATOM 748 O GLU A 45 6.373 -19.219 4.975 1.00 0.00 O ATOM 749 CB GLU A 45 7.722 -18.023 7.615 1.00 0.00 C ATOM 750 CG GLU A 45 7.779 -19.528 7.892 1.00 0.00 C ATOM 751 CD GLU A 45 9.226 -20.015 7.785 1.00 0.00 C ATOM 752 OE1 GLU A 45 10.117 -19.242 8.099 1.00 0.00 O ATOM 753 OE2 GLU A 45 9.419 -21.154 7.392 1.00 0.00 O ATOM 0 H GLU A 45 7.993 -15.702 6.654 1.00 0.00 H new ATOM 0 HA GLU A 45 8.697 -18.398 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.502 -17.510 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.768 -17.618 7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.386 -19.740 8.886 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.151 -20.063 7.180 1.00 0.00 H new ATOM 760 N GLU A 46 5.726 -17.135 5.229 1.00 0.00 N ATOM 761 CA GLU A 46 4.418 -17.403 4.547 1.00 0.00 C ATOM 762 C GLU A 46 4.509 -17.114 3.042 1.00 0.00 C ATOM 763 O GLU A 46 3.784 -16.290 2.523 1.00 0.00 O ATOM 764 CB GLU A 46 3.343 -16.506 5.166 1.00 0.00 C ATOM 765 CG GLU A 46 3.479 -16.523 6.690 1.00 0.00 C ATOM 766 CD GLU A 46 3.412 -17.966 7.194 1.00 0.00 C ATOM 767 OE1 GLU A 46 4.455 -18.596 7.267 1.00 0.00 O ATOM 768 OE2 GLU A 46 2.320 -18.417 7.497 1.00 0.00 O ATOM 0 H GLU A 46 5.859 -16.175 5.547 1.00 0.00 H new ATOM 0 HA GLU A 46 4.165 -18.455 4.681 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.445 -15.487 4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.352 -16.854 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.424 -16.067 6.986 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.684 -15.931 7.143 1.00 0.00 H new ATOM 775 N ILE A 47 5.377 -17.800 2.334 1.00 0.00 N ATOM 776 CA ILE A 47 5.501 -17.585 0.850 1.00 0.00 C ATOM 777 C ILE A 47 5.362 -18.932 0.136 1.00 0.00 C ATOM 778 O ILE A 47 6.173 -19.819 0.313 1.00 0.00 O ATOM 779 CB ILE A 47 6.872 -16.986 0.528 1.00 0.00 C ATOM 780 CG1 ILE A 47 6.965 -15.576 1.117 1.00 0.00 C ATOM 781 CG2 ILE A 47 7.057 -16.913 -0.991 1.00 0.00 C ATOM 782 CD1 ILE A 47 8.429 -15.139 1.161 1.00 0.00 C ATOM 0 H ILE A 47 6.008 -18.503 2.719 1.00 0.00 H new ATOM 0 HA ILE A 47 4.720 -16.902 0.515 1.00 0.00 H new ATOM 0 HB ILE A 47 7.650 -17.615 0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.384 -14.879 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.539 -15.560 2.120 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.034 -16.486 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.992 -17.915 -1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.277 -16.285 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.497 -14.135 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.997 -15.831 1.783 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.839 -15.139 0.151 1.00 0.00 H new ATOM 794 N LYS A 48 4.343 -19.094 -0.674 1.00 0.00 N ATOM 795 CA LYS A 48 4.157 -20.389 -1.403 1.00 0.00 C ATOM 796 C LYS A 48 4.695 -20.249 -2.830 1.00 0.00 C ATOM 797 O LYS A 48 5.417 -21.095 -3.319 1.00 0.00 O ATOM 798 CB LYS A 48 2.667 -20.735 -1.450 1.00 0.00 C ATOM 799 CG LYS A 48 2.488 -22.162 -1.972 1.00 0.00 C ATOM 800 CD LYS A 48 1.007 -22.415 -2.260 1.00 0.00 C ATOM 801 CE LYS A 48 0.823 -23.841 -2.782 1.00 0.00 C ATOM 802 NZ LYS A 48 1.559 -23.999 -4.069 1.00 0.00 N ATOM 0 H LYS A 48 3.633 -18.386 -0.862 1.00 0.00 H new ATOM 0 HA LYS A 48 4.698 -21.182 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.230 -20.643 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.140 -20.032 -2.095 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.076 -22.306 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.855 -22.879 -1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.420 -22.270 -1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.641 -21.698 -2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.193 -24.558 -2.049 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.236 -24.052 -2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.190 -24.825 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.430 -23.146 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.572 -24.136 -3.875 1.00 0.00 H new ATOM 816 N GLU A 49 4.344 -19.184 -3.503 1.00 0.00 N ATOM 817 CA GLU A 49 4.831 -18.983 -4.899 1.00 0.00 C ATOM 818 C GLU A 49 6.243 -18.391 -4.867 1.00 0.00 C ATOM 819 O GLU A 49 6.467 -17.272 -5.285 1.00 0.00 O ATOM 820 CB GLU A 49 3.889 -18.026 -5.633 1.00 0.00 C ATOM 821 CG GLU A 49 2.437 -18.397 -5.321 1.00 0.00 C ATOM 822 CD GLU A 49 2.188 -19.855 -5.708 1.00 0.00 C ATOM 823 OE1 GLU A 49 2.171 -20.137 -6.895 1.00 0.00 O ATOM 824 OE2 GLU A 49 2.018 -20.665 -4.812 1.00 0.00 O ATOM 0 H GLU A 49 3.740 -18.444 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 49 4.853 -19.940 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.087 -16.999 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.066 -18.078 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.233 -18.252 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.758 -17.743 -5.868 1.00 0.00 H new ATOM 831 N GLN A 50 7.193 -19.127 -4.361 1.00 0.00 N ATOM 832 CA GLN A 50 8.590 -18.608 -4.282 1.00 0.00 C ATOM 833 C GLN A 50 8.983 -17.939 -5.605 1.00 0.00 C ATOM 834 O GLN A 50 9.851 -17.089 -5.644 1.00 0.00 O ATOM 835 CB GLN A 50 9.537 -19.780 -4.002 1.00 0.00 C ATOM 836 CG GLN A 50 10.959 -19.260 -3.753 1.00 0.00 C ATOM 837 CD GLN A 50 11.637 -18.935 -5.087 1.00 0.00 C ATOM 838 OE1 GLN A 50 12.316 -17.937 -5.208 1.00 0.00 O ATOM 839 NE2 GLN A 50 11.482 -19.746 -6.098 1.00 0.00 N ATOM 0 H GLN A 50 7.062 -20.071 -3.997 1.00 0.00 H new ATOM 0 HA GLN A 50 8.658 -17.870 -3.483 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.189 -20.340 -3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.536 -20.469 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.925 -18.369 -3.126 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.540 -20.008 -3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 50 10.911 -20.585 -5.996 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.932 -19.541 -6.990 1.00 0.00 H new ATOM 848 N GLU A 51 8.359 -18.316 -6.688 1.00 0.00 N ATOM 849 CA GLU A 51 8.708 -17.700 -8.003 1.00 0.00 C ATOM 850 C GLU A 51 8.129 -16.283 -8.101 1.00 0.00 C ATOM 851 O GLU A 51 8.631 -15.458 -8.838 1.00 0.00 O ATOM 852 CB GLU A 51 8.185 -18.568 -9.150 1.00 0.00 C ATOM 853 CG GLU A 51 6.686 -18.814 -8.967 1.00 0.00 C ATOM 854 CD GLU A 51 6.124 -19.497 -10.215 1.00 0.00 C ATOM 855 OE1 GLU A 51 6.511 -19.107 -11.304 1.00 0.00 O ATOM 856 OE2 GLU A 51 5.317 -20.399 -10.060 1.00 0.00 O ATOM 0 H GLU A 51 7.624 -19.022 -6.721 1.00 0.00 H new ATOM 0 HA GLU A 51 9.793 -17.636 -8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.369 -18.075 -10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.719 -19.518 -9.173 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.514 -19.437 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.170 -17.870 -8.793 1.00 0.00 H new ATOM 863 N VAL A 52 7.109 -15.971 -7.350 1.00 0.00 N ATOM 864 CA VAL A 52 6.559 -14.584 -7.400 1.00 0.00 C ATOM 865 C VAL A 52 7.511 -13.668 -6.632 1.00 0.00 C ATOM 866 O VAL A 52 7.905 -12.627 -7.120 1.00 0.00 O ATOM 867 CB VAL A 52 5.173 -14.549 -6.744 1.00 0.00 C ATOM 868 CG1 VAL A 52 4.714 -13.097 -6.581 1.00 0.00 C ATOM 869 CG2 VAL A 52 4.171 -15.298 -7.624 1.00 0.00 C ATOM 0 H VAL A 52 6.635 -16.608 -6.709 1.00 0.00 H new ATOM 0 HA VAL A 52 6.465 -14.255 -8.435 1.00 0.00 H new ATOM 0 HB VAL A 52 5.229 -15.025 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.729 -13.077 -6.115 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.424 -12.559 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.662 -12.620 -7.560 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.186 -15.273 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.120 -14.822 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.491 -16.334 -7.740 1.00 0.00 H new ATOM 879 N VAL A 53 7.899 -14.038 -5.447 1.00 0.00 N ATOM 880 CA VAL A 53 8.837 -13.172 -4.684 1.00 0.00 C ATOM 881 C VAL A 53 10.166 -13.104 -5.438 1.00 0.00 C ATOM 882 O VAL A 53 10.864 -12.110 -5.405 1.00 0.00 O ATOM 883 CB VAL A 53 9.057 -13.762 -3.291 1.00 0.00 C ATOM 884 CG1 VAL A 53 10.124 -12.952 -2.554 1.00 0.00 C ATOM 885 CG2 VAL A 53 7.744 -13.707 -2.506 1.00 0.00 C ATOM 0 H VAL A 53 7.611 -14.895 -4.976 1.00 0.00 H new ATOM 0 HA VAL A 53 8.422 -12.169 -4.581 1.00 0.00 H new ATOM 0 HB VAL A 53 9.387 -14.797 -3.382 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.280 -13.374 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.059 -12.987 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.795 -11.917 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.897 -14.127 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.417 -12.671 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.982 -14.284 -3.030 1.00 0.00 H new ATOM 895 N ASP A 54 10.520 -14.159 -6.117 1.00 0.00 N ATOM 896 CA ASP A 54 11.802 -14.166 -6.875 1.00 0.00 C ATOM 897 C ASP A 54 11.798 -13.050 -7.925 1.00 0.00 C ATOM 898 O ASP A 54 12.772 -12.341 -8.087 1.00 0.00 O ATOM 899 CB ASP A 54 11.972 -15.517 -7.572 1.00 0.00 C ATOM 900 CG ASP A 54 13.354 -15.583 -8.224 1.00 0.00 C ATOM 901 OD1 ASP A 54 14.144 -14.685 -7.983 1.00 0.00 O ATOM 902 OD2 ASP A 54 13.599 -16.531 -8.952 1.00 0.00 O ATOM 0 H ASP A 54 9.975 -15.019 -6.180 1.00 0.00 H new ATOM 0 HA ASP A 54 12.627 -14.001 -6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.859 -16.327 -6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.196 -15.650 -8.326 1.00 0.00 H new ATOM 907 N LYS A 55 10.723 -12.895 -8.653 1.00 0.00 N ATOM 908 CA LYS A 55 10.690 -11.832 -9.701 1.00 0.00 C ATOM 909 C LYS A 55 10.719 -10.451 -9.045 1.00 0.00 C ATOM 910 O LYS A 55 11.196 -9.498 -9.627 1.00 0.00 O ATOM 911 CB LYS A 55 9.435 -11.980 -10.560 1.00 0.00 C ATOM 912 CG LYS A 55 9.580 -13.205 -11.466 1.00 0.00 C ATOM 913 CD LYS A 55 8.309 -13.379 -12.301 1.00 0.00 C ATOM 914 CE LYS A 55 8.525 -14.480 -13.346 1.00 0.00 C ATOM 915 NZ LYS A 55 7.203 -14.966 -13.833 1.00 0.00 N ATOM 0 H LYS A 55 9.873 -13.453 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 55 11.567 -11.938 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.556 -12.086 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.286 -11.084 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.444 -13.086 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.757 -14.096 -10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.470 -13.637 -11.655 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.055 -12.441 -12.794 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.113 -14.095 -14.179 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.090 -15.304 -12.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.347 -15.713 -14.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.658 -15.348 -13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.680 -14.177 -14.263 1.00 0.00 H new ATOM 929 N VAL A 56 10.253 -10.327 -7.834 1.00 0.00 N ATOM 930 CA VAL A 56 10.308 -9.001 -7.157 1.00 0.00 C ATOM 931 C VAL A 56 11.774 -8.614 -6.961 1.00 0.00 C ATOM 932 O VAL A 56 12.215 -7.567 -7.393 1.00 0.00 O ATOM 933 CB VAL A 56 9.620 -9.103 -5.794 1.00 0.00 C ATOM 934 CG1 VAL A 56 9.823 -7.800 -5.015 1.00 0.00 C ATOM 935 CG2 VAL A 56 8.123 -9.342 -6.004 1.00 0.00 C ATOM 0 H VAL A 56 9.839 -11.081 -7.286 1.00 0.00 H new ATOM 0 HA VAL A 56 9.802 -8.248 -7.761 1.00 0.00 H new ATOM 0 HB VAL A 56 10.050 -9.930 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.332 -7.876 -4.045 1.00 0.00 H new ATOM 0 HG12 VAL A 56 10.889 -7.625 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.393 -6.970 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.627 -9.416 -5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.698 -8.512 -6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.977 -10.269 -6.558 1.00 0.00 H new ATOM 945 N MET A 57 12.531 -9.449 -6.304 1.00 0.00 N ATOM 946 CA MET A 57 13.967 -9.132 -6.070 1.00 0.00 C ATOM 947 C MET A 57 14.652 -8.798 -7.401 1.00 0.00 C ATOM 948 O MET A 57 15.595 -8.033 -7.443 1.00 0.00 O ATOM 949 CB MET A 57 14.655 -10.346 -5.417 1.00 0.00 C ATOM 950 CG MET A 57 14.498 -10.285 -3.892 1.00 0.00 C ATOM 951 SD MET A 57 12.741 -10.304 -3.460 1.00 0.00 S ATOM 952 CE MET A 57 12.928 -9.779 -1.737 1.00 0.00 C ATOM 0 H MET A 57 12.216 -10.339 -5.918 1.00 0.00 H new ATOM 0 HA MET A 57 14.045 -8.270 -5.408 1.00 0.00 H new ATOM 0 HB2 MET A 57 14.219 -11.269 -5.798 1.00 0.00 H new ATOM 0 HB3 MET A 57 15.712 -10.360 -5.681 1.00 0.00 H new ATOM 0 HG2 MET A 57 15.005 -11.132 -3.430 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.968 -9.381 -3.504 1.00 0.00 H new ATOM 0 HE1 MET A 57 11.948 -9.739 -1.261 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.561 -10.491 -1.206 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.388 -8.791 -1.705 1.00 0.00 H new ATOM 962 N GLU A 58 14.178 -9.344 -8.495 1.00 0.00 N ATOM 963 CA GLU A 58 14.798 -9.029 -9.818 1.00 0.00 C ATOM 964 C GLU A 58 14.173 -7.754 -10.386 1.00 0.00 C ATOM 965 O GLU A 58 14.842 -6.968 -11.026 1.00 0.00 O ATOM 966 CB GLU A 58 14.608 -10.196 -10.788 1.00 0.00 C ATOM 967 CG GLU A 58 15.210 -11.465 -10.183 1.00 0.00 C ATOM 968 CD GLU A 58 14.907 -12.657 -11.093 1.00 0.00 C ATOM 969 OE1 GLU A 58 14.409 -12.432 -12.184 1.00 0.00 O ATOM 970 OE2 GLU A 58 15.178 -13.774 -10.683 1.00 0.00 O ATOM 0 H GLU A 58 13.391 -9.992 -8.528 1.00 0.00 H new ATOM 0 HA GLU A 58 15.868 -8.871 -9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.548 -10.345 -10.991 1.00 0.00 H new ATOM 0 HB3 GLU A 58 15.087 -9.972 -11.741 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.287 -11.349 -10.065 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.797 -11.638 -9.189 1.00 0.00 H new ATOM 977 N THR A 59 12.911 -7.521 -10.157 1.00 0.00 N ATOM 978 CA THR A 59 12.301 -6.273 -10.696 1.00 0.00 C ATOM 979 C THR A 59 12.888 -5.086 -9.932 1.00 0.00 C ATOM 980 O THR A 59 13.246 -4.086 -10.522 1.00 0.00 O ATOM 981 CB THR A 59 10.777 -6.313 -10.549 1.00 0.00 C ATOM 982 OG1 THR A 59 10.308 -7.615 -10.871 1.00 0.00 O ATOM 983 CG2 THR A 59 10.142 -5.293 -11.497 1.00 0.00 C ATOM 0 H THR A 59 12.284 -8.129 -9.629 1.00 0.00 H new ATOM 0 HA THR A 59 12.525 -6.176 -11.758 1.00 0.00 H new ATOM 0 HB THR A 59 10.504 -6.069 -9.522 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.397 -8.198 -10.088 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.058 -5.323 -11.391 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.503 -4.294 -11.252 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.413 -5.534 -12.525 1.00 0.00 H new ATOM 991 N LEU A 60 13.040 -5.187 -8.644 1.00 0.00 N ATOM 992 CA LEU A 60 13.660 -4.064 -7.892 1.00 0.00 C ATOM 993 C LEU A 60 15.093 -3.887 -8.387 1.00 0.00 C ATOM 994 O LEU A 60 15.475 -2.828 -8.844 1.00 0.00 O ATOM 995 CB LEU A 60 13.682 -4.396 -6.399 1.00 0.00 C ATOM 996 CG LEU A 60 12.254 -4.629 -5.893 1.00 0.00 C ATOM 997 CD1 LEU A 60 12.310 -5.108 -4.441 1.00 0.00 C ATOM 998 CD2 LEU A 60 11.445 -3.323 -5.975 1.00 0.00 C ATOM 0 H LEU A 60 12.764 -5.992 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 60 13.087 -3.150 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 60 14.288 -5.285 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.145 -3.581 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 60 11.769 -5.383 -6.513 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.297 -5.276 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.875 -6.039 -4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.798 -4.351 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.432 -3.499 -5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.922 -2.560 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.407 -2.983 -7.010 1.00 0.00 H new ATOM 1010 N ASP A 61 15.892 -4.917 -8.313 1.00 0.00 N ATOM 1011 CA ASP A 61 17.295 -4.797 -8.795 1.00 0.00 C ATOM 1012 C ASP A 61 17.288 -4.202 -10.205 1.00 0.00 C ATOM 1013 O ASP A 61 18.268 -3.648 -10.661 1.00 0.00 O ATOM 1014 CB ASP A 61 17.944 -6.182 -8.830 1.00 0.00 C ATOM 1015 CG ASP A 61 19.424 -6.042 -9.192 1.00 0.00 C ATOM 1016 OD1 ASP A 61 20.122 -5.332 -8.488 1.00 0.00 O ATOM 1017 OD2 ASP A 61 19.834 -6.647 -10.169 1.00 0.00 O ATOM 0 H ASP A 61 15.634 -5.831 -7.941 1.00 0.00 H new ATOM 0 HA ASP A 61 17.861 -4.151 -8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.840 -6.669 -7.860 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.438 -6.814 -9.560 1.00 0.00 H new ATOM 1022 N GLU A 62 16.178 -4.314 -10.895 1.00 0.00 N ATOM 1023 CA GLU A 62 16.078 -3.761 -12.283 1.00 0.00 C ATOM 1024 C GLU A 62 15.270 -2.470 -12.254 1.00 0.00 C ATOM 1025 O GLU A 62 14.443 -2.206 -13.103 1.00 0.00 O ATOM 1026 CB GLU A 62 15.369 -4.746 -13.160 1.00 0.00 C ATOM 1027 CG GLU A 62 16.254 -5.973 -13.390 1.00 0.00 C ATOM 1028 CD GLU A 62 17.445 -5.586 -14.267 1.00 0.00 C ATOM 1029 OE1 GLU A 62 17.258 -4.783 -15.166 1.00 0.00 O ATOM 1030 OE2 GLU A 62 18.526 -6.099 -14.025 1.00 0.00 O ATOM 0 H GLU A 62 15.331 -4.768 -10.553 1.00 0.00 H new ATOM 0 HA GLU A 62 17.080 -3.569 -12.668 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.429 -5.047 -12.697 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.120 -4.282 -14.115 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.604 -6.366 -12.436 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.678 -6.765 -13.869 1.00 0.00 H new ATOM 1037 N ASP A 63 15.515 -1.686 -11.280 1.00 0.00 N ATOM 1038 CA ASP A 63 14.793 -0.389 -11.129 1.00 0.00 C ATOM 1039 C ASP A 63 14.703 0.327 -12.471 1.00 0.00 C ATOM 1040 O ASP A 63 13.699 0.922 -12.809 1.00 0.00 O ATOM 1041 CB ASP A 63 15.610 0.503 -10.188 1.00 0.00 C ATOM 1042 CG ASP A 63 14.925 1.866 -10.051 1.00 0.00 C ATOM 1043 OD1 ASP A 63 13.737 1.939 -10.317 1.00 0.00 O ATOM 1044 OD2 ASP A 63 15.601 2.812 -9.683 1.00 0.00 O ATOM 0 H ASP A 63 16.202 -1.877 -10.550 1.00 0.00 H new ATOM 0 HA ASP A 63 13.791 -0.580 -10.744 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.701 0.030 -9.210 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.621 0.630 -10.576 1.00 0.00 H new ATOM 1049 N GLY A 64 15.746 0.254 -13.243 1.00 0.00 N ATOM 1050 CA GLY A 64 15.750 0.906 -14.585 1.00 0.00 C ATOM 1051 C GLY A 64 15.407 2.401 -14.483 1.00 0.00 C ATOM 1052 O GLY A 64 15.516 3.119 -15.456 1.00 0.00 O ATOM 0 H GLY A 64 16.608 -0.235 -13.002 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.730 0.787 -15.046 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.029 0.409 -15.235 1.00 0.00 H new ATOM 1056 N ASP A 65 14.988 2.884 -13.327 1.00 0.00 N ATOM 1057 CA ASP A 65 14.633 4.347 -13.189 1.00 0.00 C ATOM 1058 C ASP A 65 15.688 5.133 -12.367 1.00 0.00 C ATOM 1059 O ASP A 65 15.629 6.345 -12.319 1.00 0.00 O ATOM 1060 CB ASP A 65 13.277 4.459 -12.489 1.00 0.00 C ATOM 1061 CG ASP A 65 12.255 3.576 -13.208 1.00 0.00 C ATOM 1062 OD1 ASP A 65 12.669 2.768 -14.024 1.00 0.00 O ATOM 1063 OD2 ASP A 65 11.076 3.722 -12.931 1.00 0.00 O ATOM 0 H ASP A 65 14.877 2.332 -12.476 1.00 0.00 H new ATOM 0 HA ASP A 65 14.601 4.780 -14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 65 13.368 4.153 -11.447 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.941 5.496 -12.489 1.00 0.00 H new ATOM 1068 N GLY A 66 16.655 4.501 -11.735 1.00 0.00 N ATOM 1069 CA GLY A 66 17.671 5.279 -10.965 1.00 0.00 C ATOM 1070 C GLY A 66 17.113 5.691 -9.599 1.00 0.00 C ATOM 1071 O GLY A 66 17.849 5.820 -8.641 1.00 0.00 O ATOM 0 H GLY A 66 16.780 3.489 -11.722 1.00 0.00 H new ATOM 0 HA2 GLY A 66 18.571 4.679 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 66 17.961 6.166 -11.528 1.00 0.00 H new ATOM 1075 N GLU A 67 15.823 5.894 -9.490 1.00 0.00 N ATOM 1076 CA GLU A 67 15.237 6.293 -8.167 1.00 0.00 C ATOM 1077 C GLU A 67 13.826 5.713 -8.026 1.00 0.00 C ATOM 1078 O GLU A 67 13.008 5.843 -8.916 1.00 0.00 O ATOM 1079 CB GLU A 67 15.158 7.825 -8.072 1.00 0.00 C ATOM 1080 CG GLU A 67 16.552 8.425 -7.847 1.00 0.00 C ATOM 1081 CD GLU A 67 17.084 8.004 -6.475 1.00 0.00 C ATOM 1082 OE1 GLU A 67 16.518 8.437 -5.484 1.00 0.00 O ATOM 1083 OE2 GLU A 67 18.047 7.257 -6.439 1.00 0.00 O ATOM 0 H GLU A 67 15.152 5.802 -10.253 1.00 0.00 H new ATOM 0 HA GLU A 67 15.874 5.907 -7.371 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.725 8.230 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.497 8.110 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.233 8.089 -8.629 1.00 0.00 H new ATOM 0 HG3 GLU A 67 16.504 9.512 -7.911 1.00 0.00 H new ATOM 1090 N CYS A 68 13.525 5.087 -6.911 1.00 0.00 N ATOM 1091 CA CYS A 68 12.155 4.512 -6.704 1.00 0.00 C ATOM 1092 C CYS A 68 11.374 5.423 -5.750 1.00 0.00 C ATOM 1093 O CYS A 68 11.833 5.746 -4.673 1.00 0.00 O ATOM 1094 CB CYS A 68 12.276 3.114 -6.093 1.00 0.00 C ATOM 1095 SG CYS A 68 13.484 2.149 -7.033 1.00 0.00 S ATOM 0 H CYS A 68 14.171 4.949 -6.134 1.00 0.00 H new ATOM 0 HA CYS A 68 11.633 4.443 -7.659 1.00 0.00 H new ATOM 0 HB2 CYS A 68 12.584 3.187 -5.050 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.307 2.615 -6.105 1.00 0.00 H new ATOM 0 HG CYS A 68 13.589 0.962 -6.514 1.00 0.00 H new ATOM 1101 N ASP A 69 10.205 5.854 -6.145 1.00 0.00 N ATOM 1102 CA ASP A 69 9.405 6.762 -5.269 1.00 0.00 C ATOM 1103 C ASP A 69 8.631 5.955 -4.219 1.00 0.00 C ATOM 1104 O ASP A 69 8.783 4.756 -4.099 1.00 0.00 O ATOM 1105 CB ASP A 69 8.416 7.551 -6.130 1.00 0.00 C ATOM 1106 CG ASP A 69 7.865 8.732 -5.328 1.00 0.00 C ATOM 1107 OD1 ASP A 69 8.639 9.619 -5.010 1.00 0.00 O ATOM 1108 OD2 ASP A 69 6.678 8.728 -5.045 1.00 0.00 O ATOM 0 H ASP A 69 9.769 5.617 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 69 10.084 7.444 -4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.910 7.910 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.600 6.903 -6.450 1.00 0.00 H new ATOM 1113 N PHE A 70 7.794 6.619 -3.464 1.00 0.00 N ATOM 1114 CA PHE A 70 6.987 5.920 -2.418 1.00 0.00 C ATOM 1115 C PHE A 70 5.864 5.133 -3.103 1.00 0.00 C ATOM 1116 O PHE A 70 5.416 4.119 -2.606 1.00 0.00 O ATOM 1117 CB PHE A 70 6.407 6.974 -1.466 1.00 0.00 C ATOM 1118 CG PHE A 70 5.810 6.329 -0.235 1.00 0.00 C ATOM 1119 CD1 PHE A 70 4.586 5.654 -0.319 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.469 6.431 0.997 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.026 5.077 0.826 1.00 0.00 C ATOM 1122 CE2 PHE A 70 5.907 5.856 2.142 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.686 5.178 2.057 1.00 0.00 C ATOM 0 H PHE A 70 7.634 7.624 -3.528 1.00 0.00 H new ATOM 0 HA PHE A 70 7.605 5.226 -1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.191 7.672 -1.171 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.642 7.554 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.074 5.579 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.412 6.954 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.084 4.553 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.416 5.935 3.091 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.253 4.733 2.940 1.00 0.00 H new ATOM 1133 N GLN A 71 5.422 5.571 -4.246 1.00 0.00 N ATOM 1134 CA GLN A 71 4.349 4.825 -4.965 1.00 0.00 C ATOM 1135 C GLN A 71 4.879 3.443 -5.363 1.00 0.00 C ATOM 1136 O GLN A 71 4.151 2.470 -5.367 1.00 0.00 O ATOM 1137 CB GLN A 71 3.954 5.598 -6.226 1.00 0.00 C ATOM 1138 CG GLN A 71 3.160 6.845 -5.830 1.00 0.00 C ATOM 1139 CD GLN A 71 2.705 7.586 -7.090 1.00 0.00 C ATOM 1140 OE1 GLN A 71 2.381 8.755 -7.036 1.00 0.00 O ATOM 1141 NE2 GLN A 71 2.666 6.951 -8.229 1.00 0.00 N ATOM 0 H GLN A 71 5.756 6.413 -4.716 1.00 0.00 H new ATOM 0 HA GLN A 71 3.479 4.714 -4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.845 5.883 -6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.355 4.965 -6.881 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.295 6.562 -5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.776 7.500 -5.213 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.938 5.969 -8.275 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.363 7.437 -9.073 1.00 0.00 H new ATOM 1150 N GLU A 72 6.135 3.343 -5.692 1.00 0.00 N ATOM 1151 CA GLU A 72 6.700 2.018 -6.080 1.00 0.00 C ATOM 1152 C GLU A 72 6.846 1.124 -4.841 1.00 0.00 C ATOM 1153 O GLU A 72 6.845 -0.085 -4.931 1.00 0.00 O ATOM 1154 CB GLU A 72 8.062 2.208 -6.750 1.00 0.00 C ATOM 1155 CG GLU A 72 7.913 3.140 -7.954 1.00 0.00 C ATOM 1156 CD GLU A 72 7.175 2.409 -9.077 1.00 0.00 C ATOM 1157 OE1 GLU A 72 7.793 1.579 -9.723 1.00 0.00 O ATOM 1158 OE2 GLU A 72 6.004 2.692 -9.273 1.00 0.00 O ATOM 0 H GLU A 72 6.796 4.119 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 72 6.021 1.537 -6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.774 2.627 -6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.460 1.245 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.364 4.037 -7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.894 3.464 -8.300 1.00 0.00 H new ATOM 1165 N PHE A 73 6.933 1.709 -3.682 1.00 0.00 N ATOM 1166 CA PHE A 73 7.042 0.894 -2.435 1.00 0.00 C ATOM 1167 C PHE A 73 5.688 0.251 -2.118 1.00 0.00 C ATOM 1168 O PHE A 73 5.633 -0.891 -1.715 1.00 0.00 O ATOM 1169 CB PHE A 73 7.503 1.775 -1.270 1.00 0.00 C ATOM 1170 CG PHE A 73 7.509 0.972 0.012 1.00 0.00 C ATOM 1171 CD1 PHE A 73 8.450 -0.047 0.192 1.00 0.00 C ATOM 1172 CD2 PHE A 73 6.577 1.249 1.022 1.00 0.00 C ATOM 1173 CE1 PHE A 73 8.462 -0.790 1.379 1.00 0.00 C ATOM 1174 CE2 PHE A 73 6.589 0.506 2.209 1.00 0.00 C ATOM 1175 CZ PHE A 73 7.532 -0.513 2.388 1.00 0.00 C ATOM 0 H PHE A 73 6.934 2.719 -3.540 1.00 0.00 H new ATOM 0 HA PHE A 73 7.780 0.105 -2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.501 2.164 -1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.840 2.634 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.168 -0.261 -0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.850 2.035 0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.189 -1.577 1.516 1.00 0.00 H new ATOM 0 HE2 PHE A 73 5.870 0.719 2.987 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.542 -1.085 3.304 1.00 0.00 H new ATOM 1185 N MET A 74 4.598 0.932 -2.296 1.00 0.00 N ATOM 1186 CA MET A 74 3.296 0.270 -1.991 1.00 0.00 C ATOM 1187 C MET A 74 3.025 -0.831 -3.027 1.00 0.00 C ATOM 1188 O MET A 74 2.774 -1.963 -2.664 1.00 0.00 O ATOM 1189 CB MET A 74 2.163 1.300 -2.003 1.00 0.00 C ATOM 1190 CG MET A 74 2.518 2.481 -1.088 1.00 0.00 C ATOM 1191 SD MET A 74 3.013 1.885 0.554 1.00 0.00 S ATOM 1192 CE MET A 74 1.515 0.945 0.941 1.00 0.00 C ATOM 0 H MET A 74 4.544 1.894 -2.631 1.00 0.00 H new ATOM 0 HA MET A 74 3.345 -0.177 -0.998 1.00 0.00 H new ATOM 0 HB2 MET A 74 1.994 1.655 -3.020 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.235 0.836 -1.669 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.328 3.061 -1.530 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.661 3.148 -0.996 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.374 0.914 2.021 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.654 1.425 0.476 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.614 -0.071 0.559 1.00 0.00 H new ATOM 1202 N ALA A 75 3.057 -0.541 -4.298 1.00 0.00 N ATOM 1203 CA ALA A 75 2.785 -1.606 -5.309 1.00 0.00 C ATOM 1204 C ALA A 75 3.714 -2.808 -5.110 1.00 0.00 C ATOM 1205 O ALA A 75 3.263 -3.933 -5.026 1.00 0.00 O ATOM 1206 CB ALA A 75 2.995 -1.032 -6.711 1.00 0.00 C ATOM 0 H ALA A 75 3.259 0.383 -4.681 1.00 0.00 H new ATOM 0 HA ALA A 75 1.756 -1.944 -5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.798 -1.805 -7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.313 -0.196 -6.868 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.024 -0.686 -6.812 1.00 0.00 H new ATOM 1212 N PHE A 76 4.998 -2.601 -5.050 1.00 0.00 N ATOM 1213 CA PHE A 76 5.915 -3.770 -4.874 1.00 0.00 C ATOM 1214 C PHE A 76 5.624 -4.447 -3.527 1.00 0.00 C ATOM 1215 O PHE A 76 5.717 -5.650 -3.392 1.00 0.00 O ATOM 1216 CB PHE A 76 7.386 -3.306 -4.931 1.00 0.00 C ATOM 1217 CG PHE A 76 7.869 -3.271 -6.372 1.00 0.00 C ATOM 1218 CD1 PHE A 76 7.888 -4.448 -7.135 1.00 0.00 C ATOM 1219 CD2 PHE A 76 8.293 -2.064 -6.947 1.00 0.00 C ATOM 1220 CE1 PHE A 76 8.328 -4.415 -8.463 1.00 0.00 C ATOM 1221 CE2 PHE A 76 8.731 -2.034 -8.275 1.00 0.00 C ATOM 1222 CZ PHE A 76 8.748 -3.208 -9.033 1.00 0.00 C ATOM 0 H PHE A 76 5.452 -1.690 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 76 5.747 -4.485 -5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.481 -2.316 -4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.011 -3.981 -4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.563 -5.380 -6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.281 -1.156 -6.363 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.343 -5.322 -9.049 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.056 -1.103 -8.715 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.085 -3.184 -10.059 1.00 0.00 H new ATOM 1232 N VAL A 77 5.264 -3.683 -2.539 1.00 0.00 N ATOM 1233 CA VAL A 77 4.957 -4.283 -1.208 1.00 0.00 C ATOM 1234 C VAL A 77 3.698 -5.154 -1.328 1.00 0.00 C ATOM 1235 O VAL A 77 3.562 -6.158 -0.657 1.00 0.00 O ATOM 1236 CB VAL A 77 4.735 -3.152 -0.187 1.00 0.00 C ATOM 1237 CG1 VAL A 77 3.983 -3.676 1.046 1.00 0.00 C ATOM 1238 CG2 VAL A 77 6.094 -2.579 0.252 1.00 0.00 C ATOM 0 H VAL A 77 5.168 -2.669 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 77 5.786 -4.906 -0.872 1.00 0.00 H new ATOM 0 HB VAL A 77 4.138 -2.371 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.836 -2.862 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.014 -4.071 0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.565 -4.468 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.935 -1.779 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.691 -3.368 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.620 -2.184 -0.617 1.00 0.00 H new ATOM 1248 N SER A 78 2.777 -4.779 -2.173 1.00 0.00 N ATOM 1249 CA SER A 78 1.532 -5.586 -2.326 1.00 0.00 C ATOM 1250 C SER A 78 1.852 -6.921 -3.009 1.00 0.00 C ATOM 1251 O SER A 78 1.458 -7.973 -2.549 1.00 0.00 O ATOM 1252 CB SER A 78 0.528 -4.811 -3.179 1.00 0.00 C ATOM 1253 OG SER A 78 -0.757 -5.407 -3.050 1.00 0.00 O ATOM 0 H SER A 78 2.832 -3.949 -2.764 1.00 0.00 H new ATOM 0 HA SER A 78 1.109 -5.780 -1.340 1.00 0.00 H new ATOM 0 HB2 SER A 78 0.492 -3.769 -2.862 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.841 -4.816 -4.223 1.00 0.00 H new ATOM 0 HG SER A 78 -0.967 -5.529 -2.101 1.00 0.00 H new ATOM 1259 N MET A 79 2.542 -6.885 -4.115 1.00 0.00 N ATOM 1260 CA MET A 79 2.862 -8.149 -4.841 1.00 0.00 C ATOM 1261 C MET A 79 3.474 -9.181 -3.888 1.00 0.00 C ATOM 1262 O MET A 79 3.204 -10.361 -3.989 1.00 0.00 O ATOM 1263 CB MET A 79 3.855 -7.848 -5.964 1.00 0.00 C ATOM 1264 CG MET A 79 3.148 -7.063 -7.071 1.00 0.00 C ATOM 1265 SD MET A 79 4.359 -6.551 -8.314 1.00 0.00 S ATOM 1266 CE MET A 79 4.263 -8.034 -9.346 1.00 0.00 C ATOM 0 H MET A 79 2.899 -6.034 -4.549 1.00 0.00 H new ATOM 0 HA MET A 79 1.940 -8.558 -5.254 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.696 -7.274 -5.576 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.261 -8.777 -6.364 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.376 -7.679 -7.532 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.650 -6.189 -6.651 1.00 0.00 H new ATOM 0 HE1 MET A 79 4.944 -7.934 -10.191 1.00 0.00 H new ATOM 0 HE2 MET A 79 4.543 -8.907 -8.756 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.244 -8.156 -9.713 1.00 0.00 H new ATOM 1276 N VAL A 80 4.298 -8.758 -2.973 1.00 0.00 N ATOM 1277 CA VAL A 80 4.917 -9.740 -2.035 1.00 0.00 C ATOM 1278 C VAL A 80 3.877 -10.214 -1.017 1.00 0.00 C ATOM 1279 O VAL A 80 3.733 -11.394 -0.769 1.00 0.00 O ATOM 1280 CB VAL A 80 6.083 -9.083 -1.293 1.00 0.00 C ATOM 1281 CG1 VAL A 80 6.729 -10.105 -0.353 1.00 0.00 C ATOM 1282 CG2 VAL A 80 7.123 -8.593 -2.302 1.00 0.00 C ATOM 0 H VAL A 80 4.570 -7.785 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 80 5.282 -10.593 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 80 5.713 -8.237 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.560 -9.638 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.990 -10.454 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.098 -10.951 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.953 -8.125 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.494 -9.438 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.665 -7.866 -2.972 1.00 0.00 H new ATOM 1292 N THR A 81 3.151 -9.307 -0.425 1.00 0.00 N ATOM 1293 CA THR A 81 2.125 -9.712 0.572 1.00 0.00 C ATOM 1294 C THR A 81 0.998 -10.466 -0.137 1.00 0.00 C ATOM 1295 O THR A 81 0.478 -11.443 0.366 1.00 0.00 O ATOM 1296 CB THR A 81 1.558 -8.461 1.244 1.00 0.00 C ATOM 1297 OG1 THR A 81 1.269 -7.485 0.254 1.00 0.00 O ATOM 1298 CG2 THR A 81 2.581 -7.900 2.233 1.00 0.00 C ATOM 0 H THR A 81 3.225 -8.303 -0.589 1.00 0.00 H new ATOM 0 HA THR A 81 2.577 -10.359 1.324 1.00 0.00 H new ATOM 0 HB THR A 81 0.644 -8.719 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.072 -6.953 0.075 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.174 -7.008 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 81 2.802 -8.650 2.993 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.497 -7.641 1.702 1.00 0.00 H new ATOM 1306 N THR A 82 0.620 -10.021 -1.303 1.00 0.00 N ATOM 1307 CA THR A 82 -0.471 -10.709 -2.049 1.00 0.00 C ATOM 1308 C THR A 82 0.031 -12.059 -2.564 1.00 0.00 C ATOM 1309 O THR A 82 -0.743 -12.957 -2.829 1.00 0.00 O ATOM 1310 CB THR A 82 -0.910 -9.843 -3.231 1.00 0.00 C ATOM 1311 OG1 THR A 82 0.226 -9.499 -4.009 1.00 0.00 O ATOM 1312 CG2 THR A 82 -1.582 -8.570 -2.714 1.00 0.00 C ATOM 0 H THR A 82 1.020 -9.209 -1.773 1.00 0.00 H new ATOM 0 HA THR A 82 -1.318 -10.868 -1.382 1.00 0.00 H new ATOM 0 HB THR A 82 -1.618 -10.399 -3.846 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.854 -8.984 -3.461 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.894 -7.955 -3.558 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.454 -8.836 -2.117 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.877 -8.011 -2.098 1.00 0.00 H new ATOM 1320 N ALA A 83 1.321 -12.216 -2.702 1.00 0.00 N ATOM 1321 CA ALA A 83 1.859 -13.516 -3.191 1.00 0.00 C ATOM 1322 C ALA A 83 1.473 -14.613 -2.201 1.00 0.00 C ATOM 1323 O ALA A 83 1.254 -15.750 -2.569 1.00 0.00 O ATOM 1324 CB ALA A 83 3.384 -13.436 -3.294 1.00 0.00 C ATOM 0 H ALA A 83 2.021 -11.503 -2.498 1.00 0.00 H new ATOM 0 HA ALA A 83 1.445 -13.740 -4.174 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.775 -14.388 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.661 -12.645 -3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.804 -13.217 -2.312 1.00 0.00 H new ATOM 1481 N SER B 1 8.405 -5.195 14.180 1.00 0.00 N ATOM 1482 CA SER B 1 8.521 -3.711 14.230 1.00 0.00 C ATOM 1483 C SER B 1 7.123 -3.096 14.149 1.00 0.00 C ATOM 1484 O SER B 1 6.154 -3.772 13.866 1.00 0.00 O ATOM 1485 CB SER B 1 9.368 -3.219 13.056 1.00 0.00 C ATOM 1486 OG SER B 1 8.537 -3.057 11.914 1.00 0.00 O ATOM 0 H1 SER B 1 9.256 -5.624 14.596 1.00 0.00 H new ATOM 0 H2 SER B 1 7.567 -5.496 14.718 1.00 0.00 H new ATOM 0 H3 SER B 1 8.310 -5.503 13.191 1.00 0.00 H new ATOM 0 HA SER B 1 8.999 -3.413 15.163 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.847 -2.273 13.309 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.164 -3.932 12.843 1.00 0.00 H new ATOM 0 HG SER B 1 9.076 -2.740 11.159 1.00 0.00 H new ATOM 1492 N GLU B 2 7.008 -1.822 14.401 1.00 0.00 N ATOM 1493 CA GLU B 2 5.668 -1.174 14.344 1.00 0.00 C ATOM 1494 C GLU B 2 5.067 -1.360 12.949 1.00 0.00 C ATOM 1495 O GLU B 2 3.870 -1.498 12.791 1.00 0.00 O ATOM 1496 CB GLU B 2 5.817 0.320 14.642 1.00 0.00 C ATOM 1497 CG GLU B 2 4.444 0.922 14.948 1.00 0.00 C ATOM 1498 CD GLU B 2 4.612 2.379 15.383 1.00 0.00 C ATOM 1499 OE1 GLU B 2 5.380 3.082 14.747 1.00 0.00 O ATOM 1500 OE2 GLU B 2 3.970 2.768 16.345 1.00 0.00 O ATOM 0 H GLU B 2 7.782 -1.203 14.643 1.00 0.00 H new ATOM 0 HA GLU B 2 5.010 -1.631 15.083 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.487 0.467 15.489 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.266 0.828 13.789 1.00 0.00 H new ATOM 0 HG2 GLU B 2 3.806 0.866 14.066 1.00 0.00 H new ATOM 0 HG3 GLU B 2 3.952 0.351 15.735 1.00 0.00 H new ATOM 1507 N LEU B 3 5.888 -1.351 11.934 1.00 0.00 N ATOM 1508 CA LEU B 3 5.366 -1.513 10.547 1.00 0.00 C ATOM 1509 C LEU B 3 4.679 -2.877 10.406 1.00 0.00 C ATOM 1510 O LEU B 3 3.545 -2.968 9.978 1.00 0.00 O ATOM 1511 CB LEU B 3 6.537 -1.402 9.549 1.00 0.00 C ATOM 1512 CG LEU B 3 6.046 -0.860 8.198 1.00 0.00 C ATOM 1513 CD1 LEU B 3 7.250 -0.585 7.294 1.00 0.00 C ATOM 1514 CD2 LEU B 3 5.130 -1.889 7.527 1.00 0.00 C ATOM 0 H LEU B 3 6.899 -1.238 12.006 1.00 0.00 H new ATOM 0 HA LEU B 3 4.636 -0.731 10.336 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.306 -0.743 9.954 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.997 -2.380 9.409 1.00 0.00 H new ATOM 0 HG LEU B 3 5.490 0.063 8.361 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.904 -0.200 6.335 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.900 0.151 7.767 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.805 -1.510 7.135 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.785 -1.499 6.569 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.681 -2.815 7.364 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.272 -2.086 8.169 1.00 0.00 H new ATOM 1526 N GLU B 4 5.352 -3.939 10.760 1.00 0.00 N ATOM 1527 CA GLU B 4 4.725 -5.285 10.636 1.00 0.00 C ATOM 1528 C GLU B 4 3.362 -5.277 11.329 1.00 0.00 C ATOM 1529 O GLU B 4 2.369 -5.721 10.790 1.00 0.00 O ATOM 1530 CB GLU B 4 5.629 -6.331 11.294 1.00 0.00 C ATOM 1531 CG GLU B 4 6.851 -6.578 10.409 1.00 0.00 C ATOM 1532 CD GLU B 4 7.900 -7.367 11.193 1.00 0.00 C ATOM 1533 OE1 GLU B 4 8.107 -7.050 12.353 1.00 0.00 O ATOM 1534 OE2 GLU B 4 8.479 -8.277 10.621 1.00 0.00 O ATOM 0 H GLU B 4 6.303 -3.933 11.128 1.00 0.00 H new ATOM 0 HA GLU B 4 4.594 -5.531 9.582 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.944 -5.987 12.279 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.080 -7.261 11.442 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.560 -7.129 9.515 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.269 -5.628 10.076 1.00 0.00 H new ATOM 1541 N LYS B 5 3.319 -4.759 12.525 1.00 0.00 N ATOM 1542 CA LYS B 5 2.039 -4.695 13.283 1.00 0.00 C ATOM 1543 C LYS B 5 0.935 -4.118 12.394 1.00 0.00 C ATOM 1544 O LYS B 5 -0.191 -4.574 12.397 1.00 0.00 O ATOM 1545 CB LYS B 5 2.234 -3.768 14.490 1.00 0.00 C ATOM 1546 CG LYS B 5 1.037 -3.887 15.453 1.00 0.00 C ATOM 1547 CD LYS B 5 1.228 -5.078 16.403 1.00 0.00 C ATOM 1548 CE LYS B 5 0.142 -5.050 17.480 1.00 0.00 C ATOM 1549 NZ LYS B 5 0.439 -6.083 18.512 1.00 0.00 N ATOM 0 H LYS B 5 4.126 -4.373 13.015 1.00 0.00 H new ATOM 0 HA LYS B 5 1.756 -5.697 13.607 1.00 0.00 H new ATOM 0 HB2 LYS B 5 3.156 -4.027 15.011 1.00 0.00 H new ATOM 0 HB3 LYS B 5 2.337 -2.737 14.152 1.00 0.00 H new ATOM 0 HG2 LYS B 5 0.933 -2.968 16.029 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.116 -4.012 14.884 1.00 0.00 H new ATOM 0 HD2 LYS B 5 1.178 -6.013 15.845 1.00 0.00 H new ATOM 0 HD3 LYS B 5 2.214 -5.034 16.865 1.00 0.00 H new ATOM 0 HE2 LYS B 5 0.097 -4.063 17.940 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -0.834 -5.238 17.032 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -0.299 -6.064 19.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 0.461 -7.022 18.067 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 1.363 -5.884 18.946 1.00 0.00 H new ATOM 1563 N ALA B 6 1.259 -3.099 11.646 1.00 0.00 N ATOM 1564 CA ALA B 6 0.256 -2.447 10.757 1.00 0.00 C ATOM 1565 C ALA B 6 0.045 -3.262 9.470 1.00 0.00 C ATOM 1566 O ALA B 6 -1.029 -3.249 8.903 1.00 0.00 O ATOM 1567 CB ALA B 6 0.749 -1.031 10.415 1.00 0.00 C ATOM 0 H ALA B 6 2.190 -2.685 11.613 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.702 -2.395 11.275 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.025 -0.541 9.764 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.862 -0.453 11.333 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.710 -1.094 9.905 1.00 0.00 H new ATOM 1573 N MET B 7 1.028 -3.976 9.002 1.00 0.00 N ATOM 1574 CA MET B 7 0.806 -4.772 7.759 1.00 0.00 C ATOM 1575 C MET B 7 -0.297 -5.805 8.040 1.00 0.00 C ATOM 1576 O MET B 7 -1.249 -5.946 7.290 1.00 0.00 O ATOM 1577 CB MET B 7 2.120 -5.474 7.354 1.00 0.00 C ATOM 1578 CG MET B 7 2.216 -5.585 5.824 1.00 0.00 C ATOM 1579 SD MET B 7 2.845 -4.021 5.150 1.00 0.00 S ATOM 1580 CE MET B 7 1.684 -3.853 3.769 1.00 0.00 C ATOM 0 H MET B 7 1.959 -4.045 9.414 1.00 0.00 H new ATOM 0 HA MET B 7 0.498 -4.125 6.938 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.973 -4.915 7.739 1.00 0.00 H new ATOM 0 HB3 MET B 7 2.162 -6.467 7.801 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.878 -6.406 5.548 1.00 0.00 H new ATOM 0 HG3 MET B 7 1.237 -5.809 5.402 1.00 0.00 H new ATOM 0 HE1 MET B 7 1.904 -2.939 3.218 1.00 0.00 H new ATOM 0 HE2 MET B 7 1.783 -4.711 3.104 1.00 0.00 H new ATOM 0 HE3 MET B 7 0.665 -3.808 4.154 1.00 0.00 H new ATOM 1590 N VAL B 8 -0.178 -6.513 9.130 1.00 0.00 N ATOM 1591 CA VAL B 8 -1.208 -7.528 9.490 1.00 0.00 C ATOM 1592 C VAL B 8 -2.518 -6.822 9.848 1.00 0.00 C ATOM 1593 O VAL B 8 -3.592 -7.301 9.543 1.00 0.00 O ATOM 1594 CB VAL B 8 -0.713 -8.341 10.690 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -1.542 -9.621 10.823 1.00 0.00 C ATOM 1596 CG2 VAL B 8 0.757 -8.712 10.477 1.00 0.00 C ATOM 0 H VAL B 8 0.594 -6.431 9.791 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.381 -8.194 8.645 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.817 -7.746 11.598 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.187 -10.197 11.678 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.590 -9.362 10.970 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -1.439 -10.217 9.916 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.113 -9.291 11.329 1.00 0.00 H new ATOM 0 HG22 VAL B 8 0.854 -9.306 9.568 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.351 -7.803 10.382 1.00 0.00 H new ATOM 1606 N ALA B 9 -2.445 -5.681 10.483 1.00 0.00 N ATOM 1607 CA ALA B 9 -3.695 -4.952 10.840 1.00 0.00 C ATOM 1608 C ALA B 9 -4.488 -4.684 9.562 1.00 0.00 C ATOM 1609 O ALA B 9 -5.670 -4.943 9.487 1.00 0.00 O ATOM 1610 CB ALA B 9 -3.338 -3.621 11.503 1.00 0.00 C ATOM 0 H ALA B 9 -1.578 -5.226 10.768 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.289 -5.550 11.531 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.252 -3.088 11.764 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.757 -3.809 12.406 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.750 -3.017 10.812 1.00 0.00 H new ATOM 1616 N LEU B 10 -3.847 -4.160 8.557 1.00 0.00 N ATOM 1617 CA LEU B 10 -4.567 -3.870 7.283 1.00 0.00 C ATOM 1618 C LEU B 10 -5.411 -5.087 6.902 1.00 0.00 C ATOM 1619 O LEU B 10 -6.567 -4.972 6.545 1.00 0.00 O ATOM 1620 CB LEU B 10 -3.524 -3.605 6.178 1.00 0.00 C ATOM 1621 CG LEU B 10 -3.075 -2.125 6.207 1.00 0.00 C ATOM 1622 CD1 LEU B 10 -1.669 -1.995 5.614 1.00 0.00 C ATOM 1623 CD2 LEU B 10 -4.042 -1.264 5.379 1.00 0.00 C ATOM 0 H LEU B 10 -2.856 -3.919 8.560 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.212 -3.000 7.402 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.662 -4.257 6.319 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.948 -3.844 5.203 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.073 -1.784 7.242 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.359 -0.950 5.638 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -0.971 -2.594 6.199 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.675 -2.348 4.583 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.717 -0.224 5.406 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.050 -1.615 4.347 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.046 -1.341 5.796 1.00 0.00 H new ATOM 1635 N ILE B 11 -4.838 -6.257 6.996 1.00 0.00 N ATOM 1636 CA ILE B 11 -5.608 -7.485 6.662 1.00 0.00 C ATOM 1637 C ILE B 11 -6.793 -7.583 7.623 1.00 0.00 C ATOM 1638 O ILE B 11 -7.902 -7.900 7.241 1.00 0.00 O ATOM 1639 CB ILE B 11 -4.709 -8.713 6.831 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -3.367 -8.475 6.124 1.00 0.00 C ATOM 1641 CG2 ILE B 11 -5.396 -9.939 6.226 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -3.604 -8.014 4.681 1.00 0.00 C ATOM 0 H ILE B 11 -3.873 -6.413 7.289 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.961 -7.442 5.632 1.00 0.00 H new ATOM 0 HB ILE B 11 -4.531 -8.884 7.893 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.791 -7.723 6.664 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.777 -9.392 6.129 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.755 -10.812 6.347 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -6.345 -10.112 6.734 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.579 -9.767 5.165 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -2.645 -7.848 4.190 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -4.161 -8.780 4.141 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -4.175 -7.085 4.685 1.00 0.00 H new ATOM 1654 N ASP B 12 -6.550 -7.306 8.877 1.00 0.00 N ATOM 1655 CA ASP B 12 -7.631 -7.366 9.897 1.00 0.00 C ATOM 1656 C ASP B 12 -8.856 -6.595 9.408 1.00 0.00 C ATOM 1657 O ASP B 12 -9.966 -7.087 9.427 1.00 0.00 O ATOM 1658 CB ASP B 12 -7.125 -6.709 11.193 1.00 0.00 C ATOM 1659 CG ASP B 12 -7.997 -7.153 12.373 1.00 0.00 C ATOM 1660 OD1 ASP B 12 -9.180 -6.855 12.356 1.00 0.00 O ATOM 1661 OD2 ASP B 12 -7.465 -7.783 13.273 1.00 0.00 O ATOM 0 H ASP B 12 -5.635 -7.037 9.240 1.00 0.00 H new ATOM 0 HA ASP B 12 -7.903 -8.407 10.072 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -6.086 -6.987 11.371 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.152 -5.624 11.096 1.00 0.00 H new ATOM 1666 N VAL B 13 -8.656 -5.369 9.000 1.00 0.00 N ATOM 1667 CA VAL B 13 -9.804 -4.537 8.541 1.00 0.00 C ATOM 1668 C VAL B 13 -10.253 -4.940 7.133 1.00 0.00 C ATOM 1669 O VAL B 13 -11.434 -5.070 6.880 1.00 0.00 O ATOM 1670 CB VAL B 13 -9.411 -3.059 8.575 1.00 0.00 C ATOM 1671 CG1 VAL B 13 -10.544 -2.214 7.988 1.00 0.00 C ATOM 1672 CG2 VAL B 13 -9.163 -2.641 10.027 1.00 0.00 C ATOM 0 H VAL B 13 -7.746 -4.909 8.965 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.644 -4.703 9.215 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.506 -2.906 7.987 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.263 -1.161 8.013 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -10.727 -2.517 6.957 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.450 -2.362 8.576 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.882 -1.588 10.060 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -10.072 -2.792 10.610 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.358 -3.244 10.447 1.00 0.00 H new ATOM 1682 N PHE B 14 -9.356 -5.134 6.207 1.00 0.00 N ATOM 1683 CA PHE B 14 -9.815 -5.516 4.840 1.00 0.00 C ATOM 1684 C PHE B 14 -10.753 -6.721 4.952 1.00 0.00 C ATOM 1685 O PHE B 14 -11.680 -6.880 4.182 1.00 0.00 O ATOM 1686 CB PHE B 14 -8.622 -5.874 3.951 1.00 0.00 C ATOM 1687 CG PHE B 14 -9.116 -6.172 2.552 1.00 0.00 C ATOM 1688 CD1 PHE B 14 -9.308 -5.129 1.637 1.00 0.00 C ATOM 1689 CD2 PHE B 14 -9.385 -7.493 2.171 1.00 0.00 C ATOM 1690 CE1 PHE B 14 -9.768 -5.408 0.343 1.00 0.00 C ATOM 1691 CE2 PHE B 14 -9.844 -7.771 0.876 1.00 0.00 C ATOM 1692 CZ PHE B 14 -10.036 -6.728 -0.037 1.00 0.00 C ATOM 0 H PHE B 14 -8.347 -5.048 6.331 1.00 0.00 H new ATOM 0 HA PHE B 14 -10.338 -4.673 4.389 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -7.909 -5.050 3.930 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -8.098 -6.739 4.356 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -9.102 -4.110 1.929 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -9.239 -8.298 2.876 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -9.916 -4.603 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -10.049 -8.790 0.583 1.00 0.00 H new ATOM 0 HZ PHE B 14 -10.391 -6.942 -1.034 1.00 0.00 H new ATOM 1702 N HIS B 15 -10.509 -7.571 5.914 1.00 0.00 N ATOM 1703 CA HIS B 15 -11.370 -8.772 6.095 1.00 0.00 C ATOM 1704 C HIS B 15 -12.659 -8.385 6.826 1.00 0.00 C ATOM 1705 O HIS B 15 -13.700 -8.979 6.628 1.00 0.00 O ATOM 1706 CB HIS B 15 -10.612 -9.814 6.920 1.00 0.00 C ATOM 1707 CG HIS B 15 -11.492 -11.011 7.160 1.00 0.00 C ATOM 1708 ND1 HIS B 15 -12.681 -10.926 7.867 1.00 0.00 N ATOM 1709 CD2 HIS B 15 -11.363 -12.329 6.800 1.00 0.00 C ATOM 1710 CE1 HIS B 15 -13.216 -12.160 7.911 1.00 0.00 C ATOM 1711 NE2 HIS B 15 -12.453 -13.053 7.275 1.00 0.00 N ATOM 0 H HIS B 15 -9.746 -7.483 6.585 1.00 0.00 H new ATOM 0 HA HIS B 15 -11.623 -9.185 5.119 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.705 -10.117 6.396 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.302 -9.382 7.872 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -10.541 -12.742 6.234 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -14.148 -12.399 8.401 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -12.631 -14.051 7.162 1.00 0.00 H new ATOM 1719 N GLN B 16 -12.591 -7.402 7.687 1.00 0.00 N ATOM 1720 CA GLN B 16 -13.804 -6.988 8.450 1.00 0.00 C ATOM 1721 C GLN B 16 -14.944 -6.670 7.481 1.00 0.00 C ATOM 1722 O GLN B 16 -16.069 -7.081 7.683 1.00 0.00 O ATOM 1723 CB GLN B 16 -13.482 -5.753 9.298 1.00 0.00 C ATOM 1724 CG GLN B 16 -14.678 -5.407 10.196 1.00 0.00 C ATOM 1725 CD GLN B 16 -15.747 -4.676 9.380 1.00 0.00 C ATOM 1726 OE1 GLN B 16 -15.432 -3.863 8.535 1.00 0.00 O ATOM 1727 NE2 GLN B 16 -17.008 -4.934 9.599 1.00 0.00 N ATOM 0 H GLN B 16 -11.747 -6.869 7.894 1.00 0.00 H new ATOM 0 HA GLN B 16 -14.112 -7.803 9.105 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.600 -5.942 9.910 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.246 -4.908 8.651 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -15.096 -6.317 10.627 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -14.351 -4.782 11.027 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -17.273 -5.617 10.309 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -17.728 -4.453 9.060 1.00 0.00 H new ATOM 1736 N TYR B 17 -14.671 -5.946 6.431 1.00 0.00 N ATOM 1737 CA TYR B 17 -15.750 -5.615 5.460 1.00 0.00 C ATOM 1738 C TYR B 17 -16.113 -6.875 4.674 1.00 0.00 C ATOM 1739 O TYR B 17 -17.270 -7.214 4.523 1.00 0.00 O ATOM 1740 CB TYR B 17 -15.256 -4.529 4.493 1.00 0.00 C ATOM 1741 CG TYR B 17 -15.358 -3.168 5.150 1.00 0.00 C ATOM 1742 CD1 TYR B 17 -14.566 -2.871 6.266 1.00 0.00 C ATOM 1743 CD2 TYR B 17 -16.244 -2.206 4.645 1.00 0.00 C ATOM 1744 CE1 TYR B 17 -14.658 -1.614 6.876 1.00 0.00 C ATOM 1745 CE2 TYR B 17 -16.335 -0.949 5.255 1.00 0.00 C ATOM 1746 CZ TYR B 17 -15.542 -0.654 6.370 1.00 0.00 C ATOM 1747 OH TYR B 17 -15.633 0.585 6.972 1.00 0.00 O ATOM 0 H TYR B 17 -13.750 -5.570 6.204 1.00 0.00 H new ATOM 0 HA TYR B 17 -16.627 -5.247 5.993 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -14.223 -4.728 4.206 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -15.849 -4.547 3.579 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.884 -3.612 6.656 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -16.856 -2.435 3.785 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -14.047 -1.385 7.737 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -17.017 -0.207 4.865 1.00 0.00 H new ATOM 0 HH TYR B 17 -16.292 1.132 6.496 1.00 0.00 H new ATOM 1757 N SER B 18 -15.128 -7.570 4.168 1.00 0.00 N ATOM 1758 CA SER B 18 -15.401 -8.809 3.382 1.00 0.00 C ATOM 1759 C SER B 18 -15.218 -10.043 4.271 1.00 0.00 C ATOM 1760 O SER B 18 -14.414 -10.906 3.979 1.00 0.00 O ATOM 1761 CB SER B 18 -14.425 -8.885 2.208 1.00 0.00 C ATOM 1762 OG SER B 18 -13.093 -8.862 2.703 1.00 0.00 O ATOM 0 H SER B 18 -14.141 -7.331 4.266 1.00 0.00 H new ATOM 0 HA SER B 18 -16.426 -8.782 3.013 1.00 0.00 H new ATOM 0 HB2 SER B 18 -14.597 -9.797 1.636 1.00 0.00 H new ATOM 0 HB3 SER B 18 -14.588 -8.047 1.530 1.00 0.00 H new ATOM 0 HG SER B 18 -12.886 -7.967 3.044 1.00 0.00 H new ATOM 1768 N GLY B 19 -15.975 -10.149 5.340 1.00 0.00 N ATOM 1769 CA GLY B 19 -15.875 -11.343 6.244 1.00 0.00 C ATOM 1770 C GLY B 19 -17.230 -12.050 6.232 1.00 0.00 C ATOM 1771 O GLY B 19 -17.359 -13.182 6.651 1.00 0.00 O ATOM 0 H GLY B 19 -16.664 -9.453 5.627 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -15.089 -12.017 5.902 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -15.613 -11.035 7.256 1.00 0.00 H new ATOM 1775 N ARG B 20 -18.234 -11.395 5.718 1.00 0.00 N ATOM 1776 CA ARG B 20 -19.581 -12.022 5.628 1.00 0.00 C ATOM 1777 C ARG B 20 -19.511 -13.222 4.686 1.00 0.00 C ATOM 1778 O ARG B 20 -20.228 -14.186 4.868 1.00 0.00 O ATOM 1779 CB ARG B 20 -20.599 -11.006 5.103 1.00 0.00 C ATOM 1780 CG ARG B 20 -20.051 -10.329 3.845 1.00 0.00 C ATOM 1781 CD ARG B 20 -21.118 -9.404 3.255 1.00 0.00 C ATOM 1782 NE ARG B 20 -20.739 -9.031 1.864 1.00 0.00 N ATOM 1783 CZ ARG B 20 -21.618 -8.474 1.076 1.00 0.00 C ATOM 1784 NH1 ARG B 20 -22.862 -8.368 1.457 1.00 0.00 N ATOM 1785 NH2 ARG B 20 -21.252 -8.022 -0.092 1.00 0.00 N ATOM 0 H ARG B 20 -18.177 -10.444 5.354 1.00 0.00 H new ATOM 0 HA ARG B 20 -19.896 -12.351 6.618 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -21.542 -11.505 4.878 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -20.809 -10.258 5.868 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.154 -9.759 4.088 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.761 -11.081 3.111 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -22.088 -9.902 3.258 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -21.218 -8.509 3.869 1.00 0.00 H new ATOM 0 HE ARG B 20 -19.793 -9.211 1.527 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -23.147 -8.720 2.371 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -23.549 -7.933 0.841 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -20.280 -8.104 -0.389 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -21.938 -7.587 -0.708 1.00 0.00 H new ATOM 1799 N GLU B 21 -18.648 -13.210 3.702 1.00 0.00 N ATOM 1800 CA GLU B 21 -18.555 -14.402 2.801 1.00 0.00 C ATOM 1801 C GLU B 21 -17.116 -14.579 2.313 1.00 0.00 C ATOM 1802 O GLU B 21 -16.589 -15.674 2.316 1.00 0.00 O ATOM 1803 CB GLU B 21 -19.483 -14.217 1.597 1.00 0.00 C ATOM 1804 CG GLU B 21 -20.917 -13.987 2.080 1.00 0.00 C ATOM 1805 CD GLU B 21 -21.873 -14.045 0.887 1.00 0.00 C ATOM 1806 OE1 GLU B 21 -21.709 -13.244 -0.018 1.00 0.00 O ATOM 1807 OE2 GLU B 21 -22.753 -14.890 0.900 1.00 0.00 O ATOM 0 H GLU B 21 -18.013 -12.442 3.484 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.857 -15.289 3.358 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.151 -13.370 0.997 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.442 -15.097 0.956 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -21.190 -14.744 2.815 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -20.994 -13.019 2.575 1.00 0.00 H new ATOM 1814 N GLY B 22 -16.471 -13.522 1.895 1.00 0.00 N ATOM 1815 CA GLY B 22 -15.065 -13.653 1.409 1.00 0.00 C ATOM 1816 C GLY B 22 -14.968 -14.832 0.438 1.00 0.00 C ATOM 1817 O GLY B 22 -13.890 -15.281 0.101 1.00 0.00 O ATOM 0 H GLY B 22 -16.854 -12.577 1.869 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -14.753 -12.734 0.914 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -14.391 -13.806 2.252 1.00 0.00 H new ATOM 1821 N ASP B 23 -16.082 -15.340 -0.017 1.00 0.00 N ATOM 1822 CA ASP B 23 -16.037 -16.490 -0.965 1.00 0.00 C ATOM 1823 C ASP B 23 -15.048 -16.161 -2.083 1.00 0.00 C ATOM 1824 O ASP B 23 -14.086 -16.870 -2.303 1.00 0.00 O ATOM 1825 CB ASP B 23 -17.428 -16.720 -1.561 1.00 0.00 C ATOM 1826 CG ASP B 23 -17.389 -17.934 -2.490 1.00 0.00 C ATOM 1827 OD1 ASP B 23 -16.975 -17.773 -3.626 1.00 0.00 O ATOM 1828 OD2 ASP B 23 -17.773 -19.005 -2.050 1.00 0.00 O ATOM 0 H ASP B 23 -17.016 -15.010 0.225 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.722 -17.393 -0.441 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -18.155 -16.881 -0.765 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -17.750 -15.837 -2.112 1.00 0.00 H new ATOM 1833 N LYS B 24 -15.263 -15.075 -2.775 1.00 0.00 N ATOM 1834 CA LYS B 24 -14.321 -14.679 -3.861 1.00 0.00 C ATOM 1835 C LYS B 24 -13.233 -13.786 -3.254 1.00 0.00 C ATOM 1836 O LYS B 24 -13.407 -13.218 -2.194 1.00 0.00 O ATOM 1837 CB LYS B 24 -15.090 -13.916 -4.945 1.00 0.00 C ATOM 1838 CG LYS B 24 -15.719 -12.645 -4.350 1.00 0.00 C ATOM 1839 CD LYS B 24 -16.926 -12.210 -5.194 1.00 0.00 C ATOM 1840 CE LYS B 24 -16.512 -12.047 -6.662 1.00 0.00 C ATOM 1841 NZ LYS B 24 -16.502 -13.380 -7.329 1.00 0.00 N ATOM 0 H LYS B 24 -16.052 -14.444 -2.635 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.863 -15.560 -4.312 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -14.417 -13.651 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -15.867 -14.553 -5.367 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -16.032 -12.831 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -14.980 -11.844 -4.318 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -17.722 -12.950 -5.113 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -17.325 -11.270 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -17.204 -11.378 -7.174 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -15.524 -11.591 -6.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -16.952 -13.304 -8.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -15.520 -13.704 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -17.026 -14.064 -6.747 1.00 0.00 H new ATOM 1855 N HIS B 25 -12.122 -13.642 -3.932 1.00 0.00 N ATOM 1856 CA HIS B 25 -11.015 -12.768 -3.425 1.00 0.00 C ATOM 1857 C HIS B 25 -10.903 -11.565 -4.359 1.00 0.00 C ATOM 1858 O HIS B 25 -9.826 -11.181 -4.770 1.00 0.00 O ATOM 1859 CB HIS B 25 -9.701 -13.552 -3.439 1.00 0.00 C ATOM 1860 CG HIS B 25 -9.421 -14.041 -4.834 1.00 0.00 C ATOM 1861 ND1 HIS B 25 -10.208 -15.000 -5.453 1.00 0.00 N ATOM 1862 CD2 HIS B 25 -8.445 -13.713 -5.742 1.00 0.00 C ATOM 1863 CE1 HIS B 25 -9.696 -15.214 -6.679 1.00 0.00 C ATOM 1864 NE2 HIS B 25 -8.621 -14.455 -6.907 1.00 0.00 N ATOM 0 H HIS B 25 -11.931 -14.097 -4.825 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.221 -12.441 -2.406 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.884 -12.918 -3.094 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -9.762 -14.396 -2.752 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -7.660 -12.990 -5.578 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -10.105 -15.915 -7.392 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.051 -14.425 -7.753 1.00 0.00 H new ATOM 1872 N LYS B 26 -12.020 -10.973 -4.695 1.00 0.00 N ATOM 1873 CA LYS B 26 -12.018 -9.788 -5.606 1.00 0.00 C ATOM 1874 C LYS B 26 -12.911 -8.686 -5.020 1.00 0.00 C ATOM 1875 O LYS B 26 -13.884 -8.961 -4.347 1.00 0.00 O ATOM 1876 CB LYS B 26 -12.555 -10.206 -6.980 1.00 0.00 C ATOM 1877 CG LYS B 26 -11.976 -11.571 -7.364 1.00 0.00 C ATOM 1878 CD LYS B 26 -12.436 -11.945 -8.774 1.00 0.00 C ATOM 1879 CE LYS B 26 -11.631 -13.146 -9.272 1.00 0.00 C ATOM 1880 NZ LYS B 26 -10.184 -12.790 -9.321 1.00 0.00 N ATOM 0 H LYS B 26 -12.944 -11.263 -4.374 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.001 -9.410 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -13.644 -10.255 -6.957 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.285 -9.461 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.887 -11.540 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -12.301 -12.329 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -13.500 -12.183 -8.770 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.302 -11.099 -9.448 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.784 -13.999 -8.611 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.977 -13.444 -10.262 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -9.786 -13.078 -10.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -10.075 -11.762 -9.204 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.680 -13.281 -8.555 1.00 0.00 H new ATOM 1894 N LEU B 27 -12.585 -7.442 -5.277 1.00 0.00 N ATOM 1895 CA LEU B 27 -13.404 -6.302 -4.746 1.00 0.00 C ATOM 1896 C LEU B 27 -13.845 -5.426 -5.920 1.00 0.00 C ATOM 1897 O LEU B 27 -13.107 -5.228 -6.865 1.00 0.00 O ATOM 1898 CB LEU B 27 -12.548 -5.472 -3.780 1.00 0.00 C ATOM 1899 CG LEU B 27 -13.442 -4.519 -2.961 1.00 0.00 C ATOM 1900 CD1 LEU B 27 -14.084 -5.261 -1.779 1.00 0.00 C ATOM 1901 CD2 LEU B 27 -12.595 -3.363 -2.419 1.00 0.00 C ATOM 0 H LEU B 27 -11.779 -7.163 -5.837 1.00 0.00 H new ATOM 0 HA LEU B 27 -14.279 -6.682 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -11.999 -6.133 -3.110 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -11.809 -4.898 -4.339 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.228 -4.138 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -14.711 -4.571 -1.214 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -14.695 -6.083 -2.154 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.303 -5.656 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.227 -2.689 -1.840 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -11.806 -3.759 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -12.149 -2.817 -3.251 1.00 0.00 H new ATOM 1913 N LYS B 28 -15.045 -4.899 -5.878 1.00 0.00 N ATOM 1914 CA LYS B 28 -15.526 -4.039 -7.005 1.00 0.00 C ATOM 1915 C LYS B 28 -15.216 -2.569 -6.701 1.00 0.00 C ATOM 1916 O LYS B 28 -15.060 -2.181 -5.561 1.00 0.00 O ATOM 1917 CB LYS B 28 -17.036 -4.223 -7.183 1.00 0.00 C ATOM 1918 CG LYS B 28 -17.461 -3.693 -8.556 1.00 0.00 C ATOM 1919 CD LYS B 28 -18.944 -3.992 -8.783 1.00 0.00 C ATOM 1920 CE LYS B 28 -19.287 -3.781 -10.260 1.00 0.00 C ATOM 1921 NZ LYS B 28 -19.093 -2.347 -10.616 1.00 0.00 N ATOM 0 H LYS B 28 -15.710 -5.026 -5.115 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.017 -4.330 -7.924 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.297 -5.277 -7.092 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.572 -3.693 -6.396 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -17.283 -2.619 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.862 -4.158 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -19.168 -5.018 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -19.557 -3.341 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -18.654 -4.411 -10.885 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -20.318 -4.078 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -19.326 -2.204 -11.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -19.715 -1.756 -10.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -18.102 -2.079 -10.449 1.00 0.00 H new ATOM 1935 N LYS B 29 -15.125 -1.752 -7.714 1.00 0.00 N ATOM 1936 CA LYS B 29 -14.824 -0.306 -7.497 1.00 0.00 C ATOM 1937 C LYS B 29 -15.923 0.349 -6.645 1.00 0.00 C ATOM 1938 O LYS B 29 -15.654 1.179 -5.799 1.00 0.00 O ATOM 1939 CB LYS B 29 -14.759 0.396 -8.865 1.00 0.00 C ATOM 1940 CG LYS B 29 -15.893 -0.112 -9.788 1.00 0.00 C ATOM 1941 CD LYS B 29 -16.346 1.007 -10.735 1.00 0.00 C ATOM 1942 CE LYS B 29 -17.516 0.514 -11.589 1.00 0.00 C ATOM 1943 NZ LYS B 29 -17.105 -0.703 -12.343 1.00 0.00 N ATOM 0 H LYS B 29 -15.247 -2.024 -8.689 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.872 -0.212 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.846 1.474 -8.732 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -13.791 0.209 -9.331 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.546 -0.969 -10.365 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.736 -0.453 -9.187 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.646 1.884 -10.161 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.519 1.313 -11.375 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.373 0.289 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -17.829 1.295 -12.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -17.916 -1.067 -12.884 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -16.333 -0.462 -12.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.779 -1.431 -11.676 1.00 0.00 H new ATOM 1957 N SER B 30 -17.155 0.001 -6.883 1.00 0.00 N ATOM 1958 CA SER B 30 -18.279 0.614 -6.119 1.00 0.00 C ATOM 1959 C SER B 30 -18.109 0.386 -4.614 1.00 0.00 C ATOM 1960 O SER B 30 -18.362 1.267 -3.806 1.00 0.00 O ATOM 1961 CB SER B 30 -19.594 -0.021 -6.571 1.00 0.00 C ATOM 1962 OG SER B 30 -19.797 0.253 -7.951 1.00 0.00 O ATOM 0 H SER B 30 -17.436 -0.688 -7.580 1.00 0.00 H new ATOM 0 HA SER B 30 -18.284 1.687 -6.311 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.569 -1.098 -6.402 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.423 0.374 -5.984 1.00 0.00 H new ATOM 0 HG SER B 30 -20.639 -0.154 -8.245 1.00 0.00 H new ATOM 1968 N GLU B 31 -17.678 -0.785 -4.221 1.00 0.00 N ATOM 1969 CA GLU B 31 -17.508 -1.041 -2.761 1.00 0.00 C ATOM 1970 C GLU B 31 -16.190 -0.422 -2.306 1.00 0.00 C ATOM 1971 O GLU B 31 -16.067 0.071 -1.202 1.00 0.00 O ATOM 1972 CB GLU B 31 -17.518 -2.545 -2.476 1.00 0.00 C ATOM 1973 CG GLU B 31 -18.910 -3.112 -2.763 1.00 0.00 C ATOM 1974 CD GLU B 31 -19.903 -2.579 -1.729 1.00 0.00 C ATOM 1975 OE1 GLU B 31 -19.662 -2.773 -0.549 1.00 0.00 O ATOM 1976 OE2 GLU B 31 -20.889 -1.985 -2.135 1.00 0.00 O ATOM 0 H GLU B 31 -17.440 -1.563 -4.837 1.00 0.00 H new ATOM 0 HA GLU B 31 -18.335 -0.591 -2.212 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -16.775 -3.048 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -17.246 -2.730 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -19.229 -2.831 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -18.884 -4.201 -2.730 1.00 0.00 H new ATOM 1983 N LEU B 32 -15.208 -0.421 -3.167 1.00 0.00 N ATOM 1984 CA LEU B 32 -13.903 0.192 -2.805 1.00 0.00 C ATOM 1985 C LEU B 32 -14.144 1.674 -2.508 1.00 0.00 C ATOM 1986 O LEU B 32 -13.641 2.206 -1.543 1.00 0.00 O ATOM 1987 CB LEU B 32 -12.913 0.020 -3.969 1.00 0.00 C ATOM 1988 CG LEU B 32 -11.464 0.060 -3.460 1.00 0.00 C ATOM 1989 CD1 LEU B 32 -10.523 -0.316 -4.609 1.00 0.00 C ATOM 1990 CD2 LEU B 32 -11.116 1.470 -2.946 1.00 0.00 C ATOM 0 H LEU B 32 -15.256 -0.819 -4.105 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.476 -0.292 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.100 -0.927 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -13.067 0.810 -4.704 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.351 -0.647 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -9.491 -0.290 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -10.762 -1.320 -4.961 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -10.645 0.394 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.086 1.483 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -11.228 2.191 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -11.787 1.735 -2.129 1.00 0.00 H new ATOM 2002 N LYS B 33 -14.898 2.361 -3.321 1.00 0.00 N ATOM 2003 CA LYS B 33 -15.124 3.803 -3.044 1.00 0.00 C ATOM 2004 C LYS B 33 -15.605 3.964 -1.604 1.00 0.00 C ATOM 2005 O LYS B 33 -15.025 4.687 -0.818 1.00 0.00 O ATOM 2006 CB LYS B 33 -16.188 4.352 -3.998 1.00 0.00 C ATOM 2007 CG LYS B 33 -15.600 4.484 -5.404 1.00 0.00 C ATOM 2008 CD LYS B 33 -16.708 4.884 -6.381 1.00 0.00 C ATOM 2009 CE LYS B 33 -16.118 5.051 -7.783 1.00 0.00 C ATOM 2010 NZ LYS B 33 -15.804 3.710 -8.351 1.00 0.00 N ATOM 0 H LYS B 33 -15.360 1.992 -4.152 1.00 0.00 H new ATOM 0 HA LYS B 33 -14.194 4.352 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.052 3.688 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.539 5.323 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -14.807 5.232 -5.410 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.151 3.540 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -17.489 4.124 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -17.174 5.815 -6.058 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -16.825 5.574 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -15.215 5.660 -7.739 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -14.810 3.686 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -15.963 2.980 -7.627 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -16.420 3.526 -9.169 1.00 0.00 H new ATOM 2024 N GLU B 34 -16.679 3.308 -1.260 1.00 0.00 N ATOM 2025 CA GLU B 34 -17.214 3.443 0.128 1.00 0.00 C ATOM 2026 C GLU B 34 -16.074 3.268 1.143 1.00 0.00 C ATOM 2027 O GLU B 34 -16.051 3.918 2.169 1.00 0.00 O ATOM 2028 CB GLU B 34 -18.294 2.387 0.374 1.00 0.00 C ATOM 2029 CG GLU B 34 -19.048 2.716 1.664 1.00 0.00 C ATOM 2030 CD GLU B 34 -19.975 3.910 1.425 1.00 0.00 C ATOM 2031 OE1 GLU B 34 -20.973 3.733 0.746 1.00 0.00 O ATOM 2032 OE2 GLU B 34 -19.670 4.980 1.924 1.00 0.00 O ATOM 0 H GLU B 34 -17.207 2.688 -1.874 1.00 0.00 H new ATOM 0 HA GLU B 34 -17.651 4.434 0.248 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -18.987 2.358 -0.467 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.841 1.399 0.448 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -19.627 1.852 1.989 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -18.342 2.945 2.462 1.00 0.00 H new ATOM 2039 N LEU B 35 -15.126 2.411 0.874 1.00 0.00 N ATOM 2040 CA LEU B 35 -13.998 2.231 1.842 1.00 0.00 C ATOM 2041 C LEU B 35 -13.165 3.520 1.897 1.00 0.00 C ATOM 2042 O LEU B 35 -12.740 3.940 2.954 1.00 0.00 O ATOM 2043 CB LEU B 35 -13.114 1.041 1.412 1.00 0.00 C ATOM 2044 CG LEU B 35 -13.659 -0.276 2.005 1.00 0.00 C ATOM 2045 CD1 LEU B 35 -13.224 -1.457 1.131 1.00 0.00 C ATOM 2046 CD2 LEU B 35 -13.108 -0.480 3.423 1.00 0.00 C ATOM 0 H LEU B 35 -15.080 1.832 0.036 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.401 2.021 2.833 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.087 0.974 0.324 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -12.089 1.201 1.747 1.00 0.00 H new ATOM 0 HG LEU B 35 -14.747 -0.221 2.039 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -13.611 -2.384 1.554 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -13.616 -1.327 0.122 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.136 -1.501 1.095 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -13.497 -1.411 3.834 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -12.020 -0.526 3.387 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -13.415 0.352 4.056 1.00 0.00 H new ATOM 2058 N ILE B 36 -12.942 4.164 0.785 1.00 0.00 N ATOM 2059 CA ILE B 36 -12.155 5.431 0.798 1.00 0.00 C ATOM 2060 C ILE B 36 -12.875 6.473 1.660 1.00 0.00 C ATOM 2061 O ILE B 36 -12.255 7.293 2.308 1.00 0.00 O ATOM 2062 CB ILE B 36 -12.046 5.954 -0.640 1.00 0.00 C ATOM 2063 CG1 ILE B 36 -11.463 4.847 -1.525 1.00 0.00 C ATOM 2064 CG2 ILE B 36 -11.124 7.180 -0.685 1.00 0.00 C ATOM 2065 CD1 ILE B 36 -11.202 5.386 -2.933 1.00 0.00 C ATOM 0 H ILE B 36 -13.271 3.868 -0.134 1.00 0.00 H new ATOM 0 HA ILE B 36 -11.162 5.247 1.209 1.00 0.00 H new ATOM 0 HB ILE B 36 -13.034 6.241 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -10.535 4.474 -1.091 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.154 4.005 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -11.053 7.544 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -11.532 7.965 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -10.132 6.902 -0.329 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -10.788 4.593 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -12.138 5.737 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -10.494 6.213 -2.881 1.00 0.00 H new ATOM 2077 N ASN B 37 -14.177 6.471 1.639 1.00 0.00 N ATOM 2078 CA ASN B 37 -14.945 7.486 2.416 1.00 0.00 C ATOM 2079 C ASN B 37 -14.761 7.299 3.928 1.00 0.00 C ATOM 2080 O ASN B 37 -14.802 8.254 4.677 1.00 0.00 O ATOM 2081 CB ASN B 37 -16.431 7.353 2.076 1.00 0.00 C ATOM 2082 CG ASN B 37 -17.240 8.344 2.917 1.00 0.00 C ATOM 2083 OD1 ASN B 37 -17.305 8.223 4.124 1.00 0.00 O ATOM 2084 ND2 ASN B 37 -17.862 9.327 2.326 1.00 0.00 N ATOM 0 H ASN B 37 -14.747 5.807 1.115 1.00 0.00 H new ATOM 0 HA ASN B 37 -14.571 8.474 2.147 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -16.590 7.546 1.015 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -16.769 6.335 2.270 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -18.403 9.993 2.877 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -17.808 9.429 1.313 1.00 0.00 H new ATOM 2091 N ASN B 38 -14.595 6.082 4.391 1.00 0.00 N ATOM 2092 CA ASN B 38 -14.450 5.841 5.868 1.00 0.00 C ATOM 2093 C ASN B 38 -13.016 5.439 6.229 1.00 0.00 C ATOM 2094 O ASN B 38 -12.627 5.503 7.378 1.00 0.00 O ATOM 2095 CB ASN B 38 -15.398 4.712 6.277 1.00 0.00 C ATOM 2096 CG ASN B 38 -15.221 4.409 7.766 1.00 0.00 C ATOM 2097 OD1 ASN B 38 -15.976 4.887 8.589 1.00 0.00 O ATOM 2098 ND2 ASN B 38 -14.248 3.628 8.149 1.00 0.00 N ATOM 0 H ASN B 38 -14.553 5.243 3.812 1.00 0.00 H new ATOM 0 HA ASN B 38 -14.691 6.764 6.395 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -16.430 4.998 6.074 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -15.193 3.819 5.687 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -14.122 3.419 9.139 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -13.614 3.227 7.458 1.00 0.00 H new ATOM 2105 N GLU B 39 -12.230 5.004 5.279 1.00 0.00 N ATOM 2106 CA GLU B 39 -10.830 4.578 5.604 1.00 0.00 C ATOM 2107 C GLU B 39 -9.842 5.717 5.340 1.00 0.00 C ATOM 2108 O GLU B 39 -8.809 5.802 5.975 1.00 0.00 O ATOM 2109 CB GLU B 39 -10.458 3.383 4.726 1.00 0.00 C ATOM 2110 CG GLU B 39 -11.427 2.228 4.993 1.00 0.00 C ATOM 2111 CD GLU B 39 -11.251 1.733 6.430 1.00 0.00 C ATOM 2112 OE1 GLU B 39 -10.208 2.002 7.004 1.00 0.00 O ATOM 2113 OE2 GLU B 39 -12.161 1.094 6.931 1.00 0.00 O ATOM 0 H GLU B 39 -12.492 4.924 4.296 1.00 0.00 H new ATOM 0 HA GLU B 39 -10.781 4.308 6.659 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -10.495 3.666 3.674 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -9.435 3.069 4.936 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -12.454 2.557 4.834 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.241 1.414 4.292 1.00 0.00 H new ATOM 2120 N LEU B 40 -10.150 6.596 4.419 1.00 0.00 N ATOM 2121 CA LEU B 40 -9.230 7.742 4.110 1.00 0.00 C ATOM 2122 C LEU B 40 -9.931 9.057 4.478 1.00 0.00 C ATOM 2123 O LEU B 40 -9.697 10.090 3.882 1.00 0.00 O ATOM 2124 CB LEU B 40 -8.896 7.725 2.603 1.00 0.00 C ATOM 2125 CG LEU B 40 -7.658 6.850 2.337 1.00 0.00 C ATOM 2126 CD1 LEU B 40 -7.812 5.484 3.026 1.00 0.00 C ATOM 2127 CD2 LEU B 40 -7.499 6.649 0.824 1.00 0.00 C ATOM 0 H LEU B 40 -11.004 6.571 3.862 1.00 0.00 H new ATOM 0 HA LEU B 40 -8.308 7.653 4.684 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -9.747 7.342 2.040 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -8.713 8.741 2.253 1.00 0.00 H new ATOM 0 HG LEU B 40 -6.775 7.347 2.739 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.929 4.876 2.829 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -7.921 5.629 4.101 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.695 4.978 2.637 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.623 6.030 0.629 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.387 6.157 0.427 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -7.374 7.617 0.340 1.00 0.00 H new ATOM 2139 N SER B 41 -10.795 9.019 5.456 1.00 0.00 N ATOM 2140 CA SER B 41 -11.521 10.255 5.866 1.00 0.00 C ATOM 2141 C SER B 41 -10.574 11.205 6.606 1.00 0.00 C ATOM 2142 O SER B 41 -10.786 12.400 6.638 1.00 0.00 O ATOM 2143 CB SER B 41 -12.683 9.883 6.787 1.00 0.00 C ATOM 2144 OG SER B 41 -13.154 11.052 7.444 1.00 0.00 O ATOM 0 H SER B 41 -11.030 8.182 5.990 1.00 0.00 H new ATOM 0 HA SER B 41 -11.901 10.753 4.974 1.00 0.00 H new ATOM 0 HB2 SER B 41 -13.488 9.427 6.210 1.00 0.00 H new ATOM 0 HB3 SER B 41 -12.359 9.145 7.521 1.00 0.00 H new ATOM 0 HG SER B 41 -13.900 10.817 8.034 1.00 0.00 H new ATOM 2150 N HIS B 42 -9.535 10.691 7.206 1.00 0.00 N ATOM 2151 CA HIS B 42 -8.591 11.582 7.940 1.00 0.00 C ATOM 2152 C HIS B 42 -7.762 12.388 6.938 1.00 0.00 C ATOM 2153 O HIS B 42 -7.517 13.564 7.125 1.00 0.00 O ATOM 2154 CB HIS B 42 -7.661 10.734 8.814 1.00 0.00 C ATOM 2155 CG HIS B 42 -8.409 10.254 10.028 1.00 0.00 C ATOM 2156 ND1 HIS B 42 -9.779 10.416 10.163 1.00 0.00 N ATOM 2157 CD2 HIS B 42 -7.993 9.619 11.172 1.00 0.00 C ATOM 2158 CE1 HIS B 42 -10.135 9.889 11.348 1.00 0.00 C ATOM 2159 NE2 HIS B 42 -9.085 9.389 12.004 1.00 0.00 N ATOM 0 H HIS B 42 -9.300 9.699 7.220 1.00 0.00 H new ATOM 0 HA HIS B 42 -9.157 12.266 8.572 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -7.286 9.883 8.245 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -6.794 11.321 9.117 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -6.973 9.340 11.393 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -11.147 9.872 11.724 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -9.083 8.936 12.918 1.00 0.00 H new ATOM 2167 N PHE B 43 -7.327 11.768 5.876 1.00 0.00 N ATOM 2168 CA PHE B 43 -6.514 12.503 4.866 1.00 0.00 C ATOM 2169 C PHE B 43 -7.418 13.458 4.081 1.00 0.00 C ATOM 2170 O PHE B 43 -6.957 14.379 3.440 1.00 0.00 O ATOM 2171 CB PHE B 43 -5.872 11.502 3.903 1.00 0.00 C ATOM 2172 CG PHE B 43 -4.938 10.590 4.665 1.00 0.00 C ATOM 2173 CD1 PHE B 43 -3.612 10.978 4.896 1.00 0.00 C ATOM 2174 CD2 PHE B 43 -5.398 9.354 5.138 1.00 0.00 C ATOM 2175 CE1 PHE B 43 -2.748 10.130 5.600 1.00 0.00 C ATOM 2176 CE2 PHE B 43 -4.533 8.507 5.841 1.00 0.00 C ATOM 2177 CZ PHE B 43 -3.208 8.896 6.072 1.00 0.00 C ATOM 0 H PHE B 43 -7.499 10.785 5.664 1.00 0.00 H new ATOM 0 HA PHE B 43 -5.734 13.073 5.371 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -6.644 10.915 3.406 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -5.323 12.032 3.124 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -3.256 11.930 4.531 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -6.420 9.055 4.960 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -1.726 10.429 5.779 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.888 7.554 6.205 1.00 0.00 H new ATOM 0 HZ PHE B 43 -2.541 8.243 6.615 1.00 0.00 H new ATOM 2187 N LEU B 44 -8.704 13.234 4.118 1.00 0.00 N ATOM 2188 CA LEU B 44 -9.647 14.111 3.363 1.00 0.00 C ATOM 2189 C LEU B 44 -9.303 15.584 3.596 1.00 0.00 C ATOM 2190 O LEU B 44 -9.458 16.413 2.722 1.00 0.00 O ATOM 2191 CB LEU B 44 -11.078 13.837 3.849 1.00 0.00 C ATOM 2192 CG LEU B 44 -12.068 14.814 3.197 1.00 0.00 C ATOM 2193 CD1 LEU B 44 -11.935 14.761 1.669 1.00 0.00 C ATOM 2194 CD2 LEU B 44 -13.493 14.423 3.603 1.00 0.00 C ATOM 0 H LEU B 44 -9.145 12.477 4.641 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.565 13.896 2.298 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.359 12.812 3.609 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.124 13.934 4.934 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.850 15.828 3.532 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -12.642 15.458 1.218 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -10.920 15.037 1.382 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -12.149 13.751 1.320 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.204 15.111 3.145 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.702 13.408 3.266 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -13.589 14.472 4.688 1.00 0.00 H new ATOM 2206 N GLU B 45 -8.855 15.921 4.772 1.00 0.00 N ATOM 2207 CA GLU B 45 -8.524 17.346 5.063 1.00 0.00 C ATOM 2208 C GLU B 45 -7.118 17.682 4.554 1.00 0.00 C ATOM 2209 O GLU B 45 -6.829 18.811 4.210 1.00 0.00 O ATOM 2210 CB GLU B 45 -8.590 17.578 6.577 1.00 0.00 C ATOM 2211 CG GLU B 45 -8.688 19.078 6.866 1.00 0.00 C ATOM 2212 CD GLU B 45 -10.099 19.573 6.534 1.00 0.00 C ATOM 2213 OE1 GLU B 45 -11.029 18.799 6.687 1.00 0.00 O ATOM 2214 OE2 GLU B 45 -10.224 20.719 6.134 1.00 0.00 O ATOM 0 H GLU B 45 -8.703 15.273 5.545 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.243 17.990 4.556 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -9.452 17.060 6.997 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -7.704 17.163 7.057 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.460 19.272 7.914 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -7.952 19.622 6.274 1.00 0.00 H new ATOM 2221 N GLU B 46 -6.234 16.721 4.531 1.00 0.00 N ATOM 2222 CA GLU B 46 -4.833 16.994 4.074 1.00 0.00 C ATOM 2223 C GLU B 46 -4.679 16.731 2.569 1.00 0.00 C ATOM 2224 O GLU B 46 -3.880 15.912 2.161 1.00 0.00 O ATOM 2225 CB GLU B 46 -3.873 16.084 4.844 1.00 0.00 C ATOM 2226 CG GLU B 46 -4.254 16.076 6.326 1.00 0.00 C ATOM 2227 CD GLU B 46 -4.268 17.511 6.858 1.00 0.00 C ATOM 2228 OE1 GLU B 46 -5.308 18.143 6.772 1.00 0.00 O ATOM 2229 OE2 GLU B 46 -3.239 17.952 7.342 1.00 0.00 O ATOM 0 H GLU B 46 -6.418 15.757 4.808 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.604 18.042 4.264 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -3.914 15.072 4.442 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -2.848 16.434 4.723 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -5.235 15.619 6.458 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -3.543 15.474 6.892 1.00 0.00 H new ATOM 2236 N ILE B 47 -5.420 17.431 1.741 1.00 0.00 N ATOM 2237 CA ILE B 47 -5.303 17.242 0.254 1.00 0.00 C ATOM 2238 C ILE B 47 -5.048 18.599 -0.405 1.00 0.00 C ATOM 2239 O ILE B 47 -5.875 19.487 -0.347 1.00 0.00 O ATOM 2240 CB ILE B 47 -6.604 16.654 -0.296 1.00 0.00 C ATOM 2241 CG1 ILE B 47 -6.793 15.234 0.247 1.00 0.00 C ATOM 2242 CG2 ILE B 47 -6.540 16.606 -1.826 1.00 0.00 C ATOM 2243 CD1 ILE B 47 -8.245 14.803 0.045 1.00 0.00 C ATOM 0 H ILE B 47 -6.105 18.129 2.031 1.00 0.00 H new ATOM 0 HA ILE B 47 -4.479 16.562 0.039 1.00 0.00 H new ATOM 0 HB ILE B 47 -7.441 17.279 0.014 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -6.123 14.544 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -6.536 15.200 1.306 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -7.468 16.187 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -6.405 17.615 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -5.702 15.982 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -8.382 13.793 0.431 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -8.905 15.487 0.578 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -8.485 14.821 -1.018 1.00 0.00 H new ATOM 2255 N LYS B 48 -3.911 18.771 -1.037 1.00 0.00 N ATOM 2256 CA LYS B 48 -3.608 20.077 -1.704 1.00 0.00 C ATOM 2257 C LYS B 48 -3.907 19.962 -3.202 1.00 0.00 C ATOM 2258 O LYS B 48 -4.540 20.819 -3.787 1.00 0.00 O ATOM 2259 CB LYS B 48 -2.129 20.418 -1.504 1.00 0.00 C ATOM 2260 CG LYS B 48 -1.866 21.852 -1.965 1.00 0.00 C ATOM 2261 CD LYS B 48 -0.357 22.104 -2.006 1.00 0.00 C ATOM 2262 CE LYS B 48 -0.089 23.538 -2.467 1.00 0.00 C ATOM 2263 NZ LYS B 48 -0.608 23.719 -3.853 1.00 0.00 N ATOM 0 H LYS B 48 -3.181 18.064 -1.120 1.00 0.00 H new ATOM 0 HA LYS B 48 -4.225 20.863 -1.268 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -1.859 20.308 -0.454 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -1.506 19.724 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -2.300 22.014 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -2.345 22.558 -1.286 1.00 0.00 H new ATOM 0 HD2 LYS B 48 0.076 21.942 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS B 48 0.122 21.398 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -0.571 24.245 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS B 48 0.980 23.747 -2.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -0.148 24.542 -4.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -0.403 22.868 -4.414 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -1.636 23.873 -3.821 1.00 0.00 H new ATOM 2277 N GLU B 49 -3.454 18.907 -3.827 1.00 0.00 N ATOM 2278 CA GLU B 49 -3.708 18.730 -5.286 1.00 0.00 C ATOM 2279 C GLU B 49 -5.108 18.144 -5.493 1.00 0.00 C ATOM 2280 O GLU B 49 -5.262 17.033 -5.960 1.00 0.00 O ATOM 2281 CB GLU B 49 -2.660 17.782 -5.874 1.00 0.00 C ATOM 2282 CG GLU B 49 -1.279 18.142 -5.325 1.00 0.00 C ATOM 2283 CD GLU B 49 -0.968 19.605 -5.642 1.00 0.00 C ATOM 2284 OE1 GLU B 49 -0.758 19.907 -6.806 1.00 0.00 O ATOM 2285 OE2 GLU B 49 -0.945 20.400 -4.717 1.00 0.00 O ATOM 0 H GLU B 49 -2.918 18.159 -3.388 1.00 0.00 H new ATOM 0 HA GLU B 49 -3.644 19.696 -5.788 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.905 16.750 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.660 17.853 -6.962 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -1.251 17.979 -4.248 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -0.521 17.495 -5.766 1.00 0.00 H new ATOM 2292 N GLN B 50 -6.126 18.876 -5.135 1.00 0.00 N ATOM 2293 CA GLN B 50 -7.517 18.361 -5.293 1.00 0.00 C ATOM 2294 C GLN B 50 -7.693 17.715 -6.672 1.00 0.00 C ATOM 2295 O GLN B 50 -8.544 16.870 -6.866 1.00 0.00 O ATOM 2296 CB GLN B 50 -8.497 19.531 -5.150 1.00 0.00 C ATOM 2297 CG GLN B 50 -9.941 19.013 -5.143 1.00 0.00 C ATOM 2298 CD GLN B 50 -10.394 18.713 -6.574 1.00 0.00 C ATOM 2299 OE1 GLN B 50 -11.046 17.719 -6.821 1.00 0.00 O ATOM 2300 NE2 GLN B 50 -10.076 19.540 -7.534 1.00 0.00 N ATOM 0 H GLN B 50 -6.055 19.813 -4.738 1.00 0.00 H new ATOM 0 HA GLN B 50 -7.712 17.610 -4.527 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -8.293 20.075 -4.228 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -8.359 20.234 -5.972 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -10.010 18.112 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -10.600 19.754 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -9.528 20.375 -7.327 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -10.375 19.350 -8.490 1.00 0.00 H new ATOM 2309 N GLU B 51 -6.900 18.107 -7.633 1.00 0.00 N ATOM 2310 CA GLU B 51 -7.033 17.515 -8.998 1.00 0.00 C ATOM 2311 C GLU B 51 -6.447 16.097 -9.025 1.00 0.00 C ATOM 2312 O GLU B 51 -6.825 15.286 -9.847 1.00 0.00 O ATOM 2313 CB GLU B 51 -6.330 18.399 -10.031 1.00 0.00 C ATOM 2314 CG GLU B 51 -4.880 18.635 -9.603 1.00 0.00 C ATOM 2315 CD GLU B 51 -4.122 19.337 -10.732 1.00 0.00 C ATOM 2316 OE1 GLU B 51 -4.328 18.966 -11.876 1.00 0.00 O ATOM 2317 OE2 GLU B 51 -3.350 20.233 -10.434 1.00 0.00 O ATOM 0 H GLU B 51 -6.167 18.810 -7.534 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.092 17.458 -9.250 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -6.358 17.923 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -6.852 19.351 -10.125 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -4.851 19.243 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -4.401 17.685 -9.365 1.00 0.00 H new ATOM 2324 N VAL B 52 -5.563 15.769 -8.124 1.00 0.00 N ATOM 2325 CA VAL B 52 -5.014 14.380 -8.107 1.00 0.00 C ATOM 2326 C VAL B 52 -6.079 13.455 -7.519 1.00 0.00 C ATOM 2327 O VAL B 52 -6.390 12.424 -8.082 1.00 0.00 O ATOM 2328 CB VAL B 52 -3.753 14.329 -7.237 1.00 0.00 C ATOM 2329 CG1 VAL B 52 -3.328 12.872 -7.025 1.00 0.00 C ATOM 2330 CG2 VAL B 52 -2.620 15.088 -7.930 1.00 0.00 C ATOM 0 H VAL B 52 -5.199 16.394 -7.405 1.00 0.00 H new ATOM 0 HA VAL B 52 -4.754 14.067 -9.118 1.00 0.00 H new ATOM 0 HB VAL B 52 -3.967 14.790 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -2.431 12.841 -6.406 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -4.131 12.327 -6.528 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.119 12.410 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -1.724 15.051 -7.310 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -2.412 14.628 -8.896 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -2.915 16.127 -8.078 1.00 0.00 H new ATOM 2340 N VAL B 53 -6.654 13.808 -6.407 1.00 0.00 N ATOM 2341 CA VAL B 53 -7.703 12.933 -5.821 1.00 0.00 C ATOM 2342 C VAL B 53 -8.893 12.882 -6.780 1.00 0.00 C ATOM 2343 O VAL B 53 -9.588 11.891 -6.877 1.00 0.00 O ATOM 2344 CB VAL B 53 -8.145 13.501 -4.471 1.00 0.00 C ATOM 2345 CG1 VAL B 53 -9.319 12.684 -3.931 1.00 0.00 C ATOM 2346 CG2 VAL B 53 -6.977 13.428 -3.485 1.00 0.00 C ATOM 0 H VAL B 53 -6.446 14.657 -5.882 1.00 0.00 H new ATOM 0 HA VAL B 53 -7.311 11.927 -5.670 1.00 0.00 H new ATOM 0 HB VAL B 53 -8.454 14.539 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -9.633 13.090 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -10.150 12.733 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -9.012 11.646 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -7.288 13.832 -2.522 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -6.670 12.390 -3.361 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -6.140 14.010 -3.869 1.00 0.00 H new ATOM 2356 N ASP B 54 -9.132 13.950 -7.490 1.00 0.00 N ATOM 2357 CA ASP B 54 -10.273 13.975 -8.446 1.00 0.00 C ATOM 2358 C ASP B 54 -10.101 12.876 -9.500 1.00 0.00 C ATOM 2359 O ASP B 54 -11.036 12.173 -9.829 1.00 0.00 O ATOM 2360 CB ASP B 54 -10.327 15.338 -9.138 1.00 0.00 C ATOM 2361 CG ASP B 54 -11.585 15.420 -10.004 1.00 0.00 C ATOM 2362 OD1 ASP B 54 -12.404 14.521 -9.910 1.00 0.00 O ATOM 2363 OD2 ASP B 54 -11.707 16.380 -10.747 1.00 0.00 O ATOM 0 H ASP B 54 -8.584 14.809 -7.448 1.00 0.00 H new ATOM 0 HA ASP B 54 -11.200 13.802 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -10.331 16.135 -8.395 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -9.439 15.481 -9.753 1.00 0.00 H new ATOM 2368 N LYS B 55 -8.923 12.729 -10.047 1.00 0.00 N ATOM 2369 CA LYS B 55 -8.721 11.683 -11.093 1.00 0.00 C ATOM 2370 C LYS B 55 -8.858 10.292 -10.473 1.00 0.00 C ATOM 2371 O LYS B 55 -9.236 9.350 -11.141 1.00 0.00 O ATOM 2372 CB LYS B 55 -7.344 11.840 -11.735 1.00 0.00 C ATOM 2373 CG LYS B 55 -7.339 13.080 -12.631 1.00 0.00 C ATOM 2374 CD LYS B 55 -5.949 13.263 -13.247 1.00 0.00 C ATOM 2375 CE LYS B 55 -5.991 14.381 -14.294 1.00 0.00 C ATOM 2376 NZ LYS B 55 -4.607 14.870 -14.553 1.00 0.00 N ATOM 0 H LYS B 55 -8.098 13.283 -9.817 1.00 0.00 H new ATOM 0 HA LYS B 55 -9.482 11.803 -11.864 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -6.579 11.932 -10.964 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -7.101 10.954 -12.321 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -8.086 12.975 -13.418 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -7.609 13.962 -12.050 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -5.225 13.507 -12.469 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -5.620 12.332 -13.708 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -6.437 14.012 -15.218 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -6.618 15.200 -13.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -4.634 15.629 -15.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -4.198 15.237 -13.670 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -4.022 14.086 -14.906 1.00 0.00 H new ATOM 2390 N VAL B 56 -8.595 10.145 -9.205 1.00 0.00 N ATOM 2391 CA VAL B 56 -8.760 8.809 -8.569 1.00 0.00 C ATOM 2392 C VAL B 56 -10.239 8.424 -8.619 1.00 0.00 C ATOM 2393 O VAL B 56 -10.606 7.387 -9.134 1.00 0.00 O ATOM 2394 CB VAL B 56 -8.302 8.885 -7.110 1.00 0.00 C ATOM 2395 CG1 VAL B 56 -8.630 7.571 -6.397 1.00 0.00 C ATOM 2396 CG2 VAL B 56 -6.790 9.123 -7.071 1.00 0.00 C ATOM 0 H VAL B 56 -8.274 10.888 -8.584 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.163 8.065 -9.097 1.00 0.00 H new ATOM 0 HB VAL B 56 -8.818 9.704 -6.608 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -8.303 7.629 -5.359 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -9.706 7.398 -6.429 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -8.116 6.749 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -6.457 9.178 -6.035 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -6.279 8.301 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -6.556 10.059 -7.578 1.00 0.00 H new ATOM 2406 N MET B 57 -11.091 9.252 -8.080 1.00 0.00 N ATOM 2407 CA MET B 57 -12.547 8.937 -8.086 1.00 0.00 C ATOM 2408 C MET B 57 -13.007 8.627 -9.516 1.00 0.00 C ATOM 2409 O MET B 57 -13.932 7.867 -9.723 1.00 0.00 O ATOM 2410 CB MET B 57 -13.330 10.143 -7.533 1.00 0.00 C ATOM 2411 CG MET B 57 -13.422 10.056 -6.005 1.00 0.00 C ATOM 2412 SD MET B 57 -11.758 10.061 -5.293 1.00 0.00 S ATOM 2413 CE MET B 57 -12.222 9.508 -3.632 1.00 0.00 C ATOM 0 H MET B 57 -10.841 10.135 -7.635 1.00 0.00 H new ATOM 0 HA MET B 57 -12.733 8.065 -7.459 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.837 11.071 -7.823 1.00 0.00 H new ATOM 0 HB3 MET B 57 -14.331 10.166 -7.965 1.00 0.00 H new ATOM 0 HG2 MET B 57 -13.997 10.897 -5.617 1.00 0.00 H new ATOM 0 HG3 MET B 57 -13.950 9.148 -5.714 1.00 0.00 H new ATOM 0 HE1 MET B 57 -11.338 9.490 -2.994 1.00 0.00 H new ATOM 0 HE2 MET B 57 -12.958 10.194 -3.213 1.00 0.00 H new ATOM 0 HE3 MET B 57 -12.649 8.507 -3.688 1.00 0.00 H new ATOM 2423 N GLU B 58 -12.362 9.189 -10.509 1.00 0.00 N ATOM 2424 CA GLU B 58 -12.760 8.899 -11.921 1.00 0.00 C ATOM 2425 C GLU B 58 -12.053 7.630 -12.401 1.00 0.00 C ATOM 2426 O GLU B 58 -12.610 6.857 -13.154 1.00 0.00 O ATOM 2427 CB GLU B 58 -12.414 10.081 -12.828 1.00 0.00 C ATOM 2428 CG GLU B 58 -13.104 11.342 -12.307 1.00 0.00 C ATOM 2429 CD GLU B 58 -12.656 12.547 -13.135 1.00 0.00 C ATOM 2430 OE1 GLU B 58 -11.988 12.339 -14.135 1.00 0.00 O ATOM 2431 OE2 GLU B 58 -12.988 13.658 -12.756 1.00 0.00 O ATOM 0 H GLU B 58 -11.579 9.834 -10.403 1.00 0.00 H new ATOM 0 HA GLU B 58 -13.838 8.744 -11.963 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -11.334 10.229 -12.855 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.733 9.875 -13.850 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -14.186 11.228 -12.367 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -12.857 11.497 -11.257 1.00 0.00 H new ATOM 2438 N THR B 59 -10.844 7.389 -11.975 1.00 0.00 N ATOM 2439 CA THR B 59 -10.157 6.148 -12.428 1.00 0.00 C ATOM 2440 C THR B 59 -10.861 4.950 -11.790 1.00 0.00 C ATOM 2441 O THR B 59 -11.121 3.962 -12.447 1.00 0.00 O ATOM 2442 CB THR B 59 -8.677 6.179 -12.037 1.00 0.00 C ATOM 2443 OG1 THR B 59 -8.160 7.484 -12.256 1.00 0.00 O ATOM 2444 CG2 THR B 59 -7.898 5.172 -12.886 1.00 0.00 C ATOM 0 H THR B 59 -10.310 7.986 -11.344 1.00 0.00 H new ATOM 0 HA THR B 59 -10.207 6.070 -13.514 1.00 0.00 H new ATOM 0 HB THR B 59 -8.575 5.917 -10.984 1.00 0.00 H new ATOM 0 HG1 THR B 59 -8.290 8.027 -11.451 1.00 0.00 H new ATOM 0 HG21 THR B 59 -6.845 5.197 -12.605 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.295 4.171 -12.718 1.00 0.00 H new ATOM 0 HG23 THR B 59 -7.998 5.430 -13.940 1.00 0.00 H new ATOM 2452 N LEU B 60 -11.220 5.031 -10.542 1.00 0.00 N ATOM 2453 CA LEU B 60 -11.955 3.898 -9.919 1.00 0.00 C ATOM 2454 C LEU B 60 -13.290 3.735 -10.643 1.00 0.00 C ATOM 2455 O LEU B 60 -13.594 2.685 -11.173 1.00 0.00 O ATOM 2456 CB LEU B 60 -12.219 4.206 -8.444 1.00 0.00 C ATOM 2457 CG LEU B 60 -10.891 4.425 -7.710 1.00 0.00 C ATOM 2458 CD1 LEU B 60 -11.181 4.880 -6.278 1.00 0.00 C ATOM 2459 CD2 LEU B 60 -10.081 3.117 -7.681 1.00 0.00 C ATOM 0 H LEU B 60 -11.038 5.826 -9.930 1.00 0.00 H new ATOM 0 HA LEU B 60 -11.366 2.984 -9.995 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -12.844 5.095 -8.355 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -12.767 3.384 -7.984 1.00 0.00 H new ATOM 0 HG LEU B 60 -10.311 5.187 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -10.241 5.038 -5.749 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -11.746 5.812 -6.300 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -11.763 4.115 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -9.140 3.284 -7.157 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -10.653 2.346 -7.164 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -9.876 2.793 -8.701 1.00 0.00 H new ATOM 2471 N ASP B 61 -14.088 4.767 -10.682 1.00 0.00 N ATOM 2472 CA ASP B 61 -15.395 4.661 -11.387 1.00 0.00 C ATOM 2473 C ASP B 61 -15.161 4.088 -12.786 1.00 0.00 C ATOM 2474 O ASP B 61 -16.054 3.546 -13.405 1.00 0.00 O ATOM 2475 CB ASP B 61 -16.028 6.049 -11.503 1.00 0.00 C ATOM 2476 CG ASP B 61 -17.430 5.921 -12.103 1.00 0.00 C ATOM 2477 OD1 ASP B 61 -18.233 5.202 -11.532 1.00 0.00 O ATOM 2478 OD2 ASP B 61 -17.675 6.543 -13.123 1.00 0.00 O ATOM 0 H ASP B 61 -13.892 5.674 -10.258 1.00 0.00 H new ATOM 0 HA ASP B 61 -16.063 4.007 -10.827 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -16.082 6.519 -10.521 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -15.410 6.691 -12.130 1.00 0.00 H new ATOM 2483 N GLU B 62 -13.954 4.206 -13.285 1.00 0.00 N ATOM 2484 CA GLU B 62 -13.631 3.672 -14.645 1.00 0.00 C ATOM 2485 C GLU B 62 -12.841 2.379 -14.511 1.00 0.00 C ATOM 2486 O GLU B 62 -11.886 2.128 -15.219 1.00 0.00 O ATOM 2487 CB GLU B 62 -12.786 4.672 -15.381 1.00 0.00 C ATOM 2488 CG GLU B 62 -13.621 5.907 -15.731 1.00 0.00 C ATOM 2489 CD GLU B 62 -14.656 5.539 -16.797 1.00 0.00 C ATOM 2490 OE1 GLU B 62 -14.327 4.750 -17.667 1.00 0.00 O ATOM 2491 OE2 GLU B 62 -15.760 6.053 -16.724 1.00 0.00 O ATOM 0 H GLU B 62 -13.173 4.653 -12.804 1.00 0.00 H new ATOM 0 HA GLU B 62 -14.558 3.487 -15.188 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -11.933 4.962 -14.767 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -12.386 4.223 -16.290 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -14.121 6.286 -14.839 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -12.974 6.704 -16.097 1.00 0.00 H new ATOM 2498 N ASP B 63 -13.244 1.580 -13.602 1.00 0.00 N ATOM 2499 CA ASP B 63 -12.558 0.273 -13.351 1.00 0.00 C ATOM 2500 C ASP B 63 -12.251 -0.415 -14.679 1.00 0.00 C ATOM 2501 O ASP B 63 -11.205 -1.007 -14.860 1.00 0.00 O ATOM 2502 CB ASP B 63 -13.511 -0.625 -12.572 1.00 0.00 C ATOM 2503 CG ASP B 63 -12.861 -1.991 -12.353 1.00 0.00 C ATOM 2504 OD1 ASP B 63 -11.646 -2.065 -12.425 1.00 0.00 O ATOM 2505 OD2 ASP B 63 -13.590 -2.940 -12.116 1.00 0.00 O ATOM 0 H ASP B 63 -14.041 1.763 -12.993 1.00 0.00 H new ATOM 0 HA ASP B 63 -11.634 0.448 -12.800 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -13.755 -0.169 -11.613 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -14.447 -0.739 -13.118 1.00 0.00 H new ATOM 2510 N GLY B 64 -13.154 -0.323 -15.608 1.00 0.00 N ATOM 2511 CA GLY B 64 -12.941 -0.952 -16.941 1.00 0.00 C ATOM 2512 C GLY B 64 -12.621 -2.451 -16.813 1.00 0.00 C ATOM 2513 O GLY B 64 -12.572 -3.153 -17.803 1.00 0.00 O ATOM 0 H GLY B 64 -14.043 0.167 -15.502 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -13.833 -0.820 -17.553 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -12.124 -0.447 -17.456 1.00 0.00 H new ATOM 2517 N ASP B 65 -12.395 -2.954 -15.616 1.00 0.00 N ATOM 2518 CA ASP B 65 -12.068 -4.416 -15.446 1.00 0.00 C ATOM 2519 C ASP B 65 -13.243 -5.215 -14.818 1.00 0.00 C ATOM 2520 O ASP B 65 -13.195 -6.429 -14.781 1.00 0.00 O ATOM 2521 CB ASP B 65 -10.844 -4.548 -14.537 1.00 0.00 C ATOM 2522 CG ASP B 65 -9.717 -3.659 -15.065 1.00 0.00 C ATOM 2523 OD1 ASP B 65 -9.992 -2.837 -15.923 1.00 0.00 O ATOM 2524 OD2 ASP B 65 -8.599 -3.815 -14.603 1.00 0.00 O ATOM 0 H ASP B 65 -12.423 -2.417 -14.749 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.874 -4.829 -16.436 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.102 -4.259 -13.518 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -10.515 -5.587 -14.501 1.00 0.00 H new ATOM 2529 N GLY B 66 -14.299 -4.591 -14.340 1.00 0.00 N ATOM 2530 CA GLY B 66 -15.427 -5.376 -13.759 1.00 0.00 C ATOM 2531 C GLY B 66 -15.099 -5.813 -12.327 1.00 0.00 C ATOM 2532 O GLY B 66 -15.980 -5.955 -11.502 1.00 0.00 O ATOM 0 H GLY B 66 -14.423 -3.579 -14.330 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -16.336 -4.774 -13.762 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -15.623 -6.253 -14.377 1.00 0.00 H new ATOM 2536 N GLU B 67 -13.843 -6.023 -12.014 1.00 0.00 N ATOM 2537 CA GLU B 67 -13.480 -6.446 -10.619 1.00 0.00 C ATOM 2538 C GLU B 67 -12.110 -5.874 -10.243 1.00 0.00 C ATOM 2539 O GLU B 67 -11.159 -5.993 -10.990 1.00 0.00 O ATOM 2540 CB GLU B 67 -13.420 -7.980 -10.539 1.00 0.00 C ATOM 2541 CG GLU B 67 -14.832 -8.579 -10.553 1.00 0.00 C ATOM 2542 CD GLU B 67 -15.579 -8.178 -9.278 1.00 0.00 C ATOM 2543 OE1 GLU B 67 -15.182 -8.629 -8.217 1.00 0.00 O ATOM 2544 OE2 GLU B 67 -16.534 -7.427 -9.386 1.00 0.00 O ATOM 0 H GLU B 67 -13.057 -5.922 -12.656 1.00 0.00 H new ATOM 0 HA GLU B 67 -14.236 -6.071 -9.929 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -12.845 -8.371 -11.379 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.901 -8.282 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -15.377 -8.229 -11.430 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -14.775 -9.665 -10.626 1.00 0.00 H new ATOM 2551 N CYS B 68 -11.992 -5.268 -9.083 1.00 0.00 N ATOM 2552 CA CYS B 68 -10.674 -4.702 -8.647 1.00 0.00 C ATOM 2553 C CYS B 68 -10.058 -5.631 -7.595 1.00 0.00 C ATOM 2554 O CYS B 68 -10.686 -5.971 -6.612 1.00 0.00 O ATOM 2555 CB CYS B 68 -10.890 -3.314 -8.041 1.00 0.00 C ATOM 2556 SG CYS B 68 -11.929 -2.328 -9.148 1.00 0.00 S ATOM 0 H CYS B 68 -12.755 -5.141 -8.418 1.00 0.00 H new ATOM 0 HA CYS B 68 -10.005 -4.619 -9.504 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -11.363 -3.402 -7.063 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -9.931 -2.819 -7.888 1.00 0.00 H new ATOM 0 HG CYS B 68 -12.115 -1.149 -8.633 1.00 0.00 H new ATOM 2562 N ASP B 69 -8.842 -6.061 -7.802 1.00 0.00 N ATOM 2563 CA ASP B 69 -8.195 -6.986 -6.823 1.00 0.00 C ATOM 2564 C ASP B 69 -7.601 -6.200 -5.649 1.00 0.00 C ATOM 2565 O ASP B 69 -7.769 -5.002 -5.535 1.00 0.00 O ATOM 2566 CB ASP B 69 -7.081 -7.765 -7.526 1.00 0.00 C ATOM 2567 CG ASP B 69 -6.669 -8.961 -6.665 1.00 0.00 C ATOM 2568 OD1 ASP B 69 -7.485 -9.851 -6.492 1.00 0.00 O ATOM 2569 OD2 ASP B 69 -5.544 -8.966 -6.194 1.00 0.00 O ATOM 0 H ASP B 69 -8.267 -5.812 -8.607 1.00 0.00 H new ATOM 0 HA ASP B 69 -8.948 -7.673 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -7.423 -8.108 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.223 -7.116 -7.699 1.00 0.00 H new ATOM 2574 N PHE B 70 -6.898 -6.879 -4.779 1.00 0.00 N ATOM 2575 CA PHE B 70 -6.270 -6.201 -3.605 1.00 0.00 C ATOM 2576 C PHE B 70 -5.050 -5.407 -4.086 1.00 0.00 C ATOM 2577 O PHE B 70 -4.687 -4.403 -3.506 1.00 0.00 O ATOM 2578 CB PHE B 70 -5.853 -7.272 -2.590 1.00 0.00 C ATOM 2579 CG PHE B 70 -5.463 -6.650 -1.268 1.00 0.00 C ATOM 2580 CD1 PHE B 70 -4.241 -5.979 -1.141 1.00 0.00 C ATOM 2581 CD2 PHE B 70 -6.313 -6.769 -0.160 1.00 0.00 C ATOM 2582 CE1 PHE B 70 -3.873 -5.423 0.089 1.00 0.00 C ATOM 2583 CE2 PHE B 70 -5.943 -6.216 1.070 1.00 0.00 C ATOM 2584 CZ PHE B 70 -4.724 -5.541 1.195 1.00 0.00 C ATOM 0 H PHE B 70 -6.731 -7.884 -4.832 1.00 0.00 H new ATOM 0 HA PHE B 70 -6.971 -5.514 -3.131 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -6.675 -7.972 -2.437 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.015 -7.846 -2.986 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -3.582 -5.891 -1.992 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -7.255 -7.288 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.932 -4.902 0.186 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.598 -6.310 1.923 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.439 -5.111 2.144 1.00 0.00 H new ATOM 2594 N GLN B 71 -4.429 -5.829 -5.150 1.00 0.00 N ATOM 2595 CA GLN B 71 -3.253 -5.074 -5.673 1.00 0.00 C ATOM 2596 C GLN B 71 -3.709 -3.685 -6.128 1.00 0.00 C ATOM 2597 O GLN B 71 -2.989 -2.715 -5.998 1.00 0.00 O ATOM 2598 CB GLN B 71 -2.660 -5.829 -6.865 1.00 0.00 C ATOM 2599 CG GLN B 71 -1.942 -7.085 -6.368 1.00 0.00 C ATOM 2600 CD GLN B 71 -1.290 -7.807 -7.549 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -0.981 -8.979 -7.463 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -1.066 -7.154 -8.656 1.00 0.00 N ATOM 0 H GLN B 71 -4.682 -6.662 -5.681 1.00 0.00 H new ATOM 0 HA GLN B 71 -2.500 -4.975 -4.891 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -3.449 -6.102 -7.565 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -1.963 -5.188 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -1.185 -6.816 -5.631 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -2.650 -7.747 -5.870 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -1.325 -6.170 -8.729 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -0.632 -7.627 -9.448 1.00 0.00 H new ATOM 2611 N GLU B 72 -4.896 -3.574 -6.654 1.00 0.00 N ATOM 2612 CA GLU B 72 -5.389 -2.241 -7.107 1.00 0.00 C ATOM 2613 C GLU B 72 -5.733 -1.367 -5.893 1.00 0.00 C ATOM 2614 O GLU B 72 -5.715 -0.156 -5.961 1.00 0.00 O ATOM 2615 CB GLU B 72 -6.624 -2.414 -7.992 1.00 0.00 C ATOM 2616 CG GLU B 72 -6.283 -3.327 -9.171 1.00 0.00 C ATOM 2617 CD GLU B 72 -5.372 -2.581 -10.147 1.00 0.00 C ATOM 2618 OE1 GLU B 72 -5.877 -1.738 -10.871 1.00 0.00 O ATOM 2619 OE2 GLU B 72 -4.186 -2.865 -10.155 1.00 0.00 O ATOM 0 H GLU B 72 -5.547 -4.347 -6.790 1.00 0.00 H new ATOM 0 HA GLU B 72 -4.604 -1.752 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -7.443 -2.841 -7.413 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -6.963 -1.444 -8.356 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.789 -4.231 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -7.196 -3.642 -9.677 1.00 0.00 H new ATOM 2626 N PHE B 73 -6.006 -1.970 -4.773 1.00 0.00 N ATOM 2627 CA PHE B 73 -6.315 -1.175 -3.546 1.00 0.00 C ATOM 2628 C PHE B 73 -5.029 -0.543 -3.004 1.00 0.00 C ATOM 2629 O PHE B 73 -5.039 0.592 -2.578 1.00 0.00 O ATOM 2630 CB PHE B 73 -6.960 -2.073 -2.487 1.00 0.00 C ATOM 2631 CG PHE B 73 -7.172 -1.291 -1.209 1.00 0.00 C ATOM 2632 CD1 PHE B 73 -8.129 -0.271 -1.167 1.00 0.00 C ATOM 2633 CD2 PHE B 73 -6.416 -1.588 -0.067 1.00 0.00 C ATOM 2634 CE1 PHE B 73 -8.332 0.452 0.015 1.00 0.00 C ATOM 2635 CE2 PHE B 73 -6.619 -0.865 1.115 1.00 0.00 C ATOM 2636 CZ PHE B 73 -7.578 0.155 1.156 1.00 0.00 C ATOM 0 H PHE B 73 -6.030 -2.982 -4.650 1.00 0.00 H new ATOM 0 HA PHE B 73 -7.018 -0.381 -3.798 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.913 -2.454 -2.853 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.324 -2.937 -2.294 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.712 -0.041 -2.047 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -5.677 -2.375 -0.098 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.071 1.239 0.046 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -6.036 -1.094 1.995 1.00 0.00 H new ATOM 0 HZ PHE B 73 -7.736 0.712 2.068 1.00 0.00 H new ATOM 2646 N MET B 74 -3.926 -1.224 -3.015 1.00 0.00 N ATOM 2647 CA MET B 74 -2.690 -0.573 -2.491 1.00 0.00 C ATOM 2648 C MET B 74 -2.253 0.544 -3.451 1.00 0.00 C ATOM 2649 O MET B 74 -2.063 1.669 -3.034 1.00 0.00 O ATOM 2650 CB MET B 74 -1.571 -1.608 -2.337 1.00 0.00 C ATOM 2651 CG MET B 74 -2.071 -2.802 -1.511 1.00 0.00 C ATOM 2652 SD MET B 74 -2.825 -2.231 0.038 1.00 0.00 S ATOM 2653 CE MET B 74 -1.408 -1.304 0.679 1.00 0.00 C ATOM 0 H MET B 74 -3.820 -2.180 -3.354 1.00 0.00 H new ATOM 0 HA MET B 74 -2.899 -0.143 -1.512 1.00 0.00 H new ATOM 0 HB2 MET B 74 -1.240 -1.947 -3.319 1.00 0.00 H new ATOM 0 HB3 MET B 74 -0.708 -1.154 -1.850 1.00 0.00 H new ATOM 0 HG2 MET B 74 -2.799 -3.372 -2.088 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.241 -3.474 -1.292 1.00 0.00 H new ATOM 0 HE1 MET B 74 -1.434 -1.306 1.769 1.00 0.00 H new ATOM 0 HE2 MET B 74 -0.484 -1.770 0.337 1.00 0.00 H new ATOM 0 HE3 MET B 74 -1.452 -0.277 0.317 1.00 0.00 H new ATOM 2663 N ALA B 75 -2.080 0.274 -4.715 1.00 0.00 N ATOM 2664 CA ALA B 75 -1.645 1.355 -5.651 1.00 0.00 C ATOM 2665 C ALA B 75 -2.593 2.557 -5.585 1.00 0.00 C ATOM 2666 O ALA B 75 -2.160 3.678 -5.410 1.00 0.00 O ATOM 2667 CB ALA B 75 -1.626 0.804 -7.077 1.00 0.00 C ATOM 0 H ALA B 75 -2.219 -0.642 -5.141 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.649 1.687 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.309 1.587 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.930 -0.033 -7.135 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.625 0.464 -7.349 1.00 0.00 H new ATOM 2673 N PHE B 76 -3.870 2.354 -5.737 1.00 0.00 N ATOM 2674 CA PHE B 76 -4.802 3.524 -5.692 1.00 0.00 C ATOM 2675 C PHE B 76 -4.732 4.177 -4.305 1.00 0.00 C ATOM 2676 O PHE B 76 -4.844 5.379 -4.167 1.00 0.00 O ATOM 2677 CB PHE B 76 -6.245 3.066 -5.995 1.00 0.00 C ATOM 2678 CG PHE B 76 -6.488 3.057 -7.496 1.00 0.00 C ATOM 2679 CD1 PHE B 76 -6.381 4.246 -8.231 1.00 0.00 C ATOM 2680 CD2 PHE B 76 -6.815 1.861 -8.152 1.00 0.00 C ATOM 2681 CE1 PHE B 76 -6.601 4.237 -9.613 1.00 0.00 C ATOM 2682 CE2 PHE B 76 -7.032 1.854 -9.533 1.00 0.00 C ATOM 2683 CZ PHE B 76 -6.924 3.041 -10.264 1.00 0.00 C ATOM 0 H PHE B 76 -4.309 1.446 -5.888 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.505 4.252 -6.447 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.412 2.069 -5.586 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.956 3.733 -5.508 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.129 5.169 -7.731 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -6.899 0.943 -7.589 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -6.521 5.154 -10.178 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -7.283 0.932 -10.035 1.00 0.00 H new ATOM 0 HZ PHE B 76 -7.090 3.035 -11.331 1.00 0.00 H new ATOM 2693 N VAL B 77 -4.538 3.396 -3.285 1.00 0.00 N ATOM 2694 CA VAL B 77 -4.450 3.973 -1.911 1.00 0.00 C ATOM 2695 C VAL B 77 -3.186 4.841 -1.811 1.00 0.00 C ATOM 2696 O VAL B 77 -3.160 5.833 -1.110 1.00 0.00 O ATOM 2697 CB VAL B 77 -4.397 2.824 -0.887 1.00 0.00 C ATOM 2698 CG1 VAL B 77 -3.854 3.326 0.460 1.00 0.00 C ATOM 2699 CG2 VAL B 77 -5.811 2.250 -0.683 1.00 0.00 C ATOM 0 H VAL B 77 -4.436 2.383 -3.338 1.00 0.00 H new ATOM 0 HA VAL B 77 -5.322 4.593 -1.703 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.733 2.048 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.824 2.500 1.171 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.848 3.723 0.322 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.504 4.112 0.844 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.773 1.437 0.042 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -6.472 3.034 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -6.191 1.872 -1.632 1.00 0.00 H new ATOM 2709 N SER B 78 -2.141 4.475 -2.502 1.00 0.00 N ATOM 2710 CA SER B 78 -0.887 5.280 -2.438 1.00 0.00 C ATOM 2711 C SER B 78 -1.091 6.627 -3.142 1.00 0.00 C ATOM 2712 O SER B 78 -0.775 7.671 -2.606 1.00 0.00 O ATOM 2713 CB SER B 78 0.241 4.515 -3.130 1.00 0.00 C ATOM 2714 OG SER B 78 1.488 5.104 -2.785 1.00 0.00 O ATOM 0 H SER B 78 -2.101 3.655 -3.107 1.00 0.00 H new ATOM 0 HA SER B 78 -0.629 5.457 -1.394 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.224 3.468 -2.828 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.102 4.537 -4.211 1.00 0.00 H new ATOM 0 HG SER B 78 1.542 5.210 -1.812 1.00 0.00 H new ATOM 2720 N MET B 79 -1.592 6.612 -4.345 1.00 0.00 N ATOM 2721 CA MET B 79 -1.789 7.889 -5.092 1.00 0.00 C ATOM 2722 C MET B 79 -2.546 8.907 -4.234 1.00 0.00 C ATOM 2723 O MET B 79 -2.261 10.088 -4.269 1.00 0.00 O ATOM 2724 CB MET B 79 -2.587 7.611 -6.366 1.00 0.00 C ATOM 2725 CG MET B 79 -1.712 6.841 -7.356 1.00 0.00 C ATOM 2726 SD MET B 79 -2.706 6.354 -8.788 1.00 0.00 S ATOM 2727 CE MET B 79 -2.442 7.853 -9.766 1.00 0.00 C ATOM 0 H MET B 79 -1.875 5.770 -4.846 1.00 0.00 H new ATOM 0 HA MET B 79 -0.812 8.301 -5.343 1.00 0.00 H new ATOM 0 HB2 MET B 79 -3.481 7.035 -6.129 1.00 0.00 H new ATOM 0 HB3 MET B 79 -2.920 8.548 -6.811 1.00 0.00 H new ATOM 0 HG2 MET B 79 -0.874 7.461 -7.675 1.00 0.00 H new ATOM 0 HG3 MET B 79 -1.291 5.958 -6.875 1.00 0.00 H new ATOM 0 HE1 MET B 79 -2.976 7.769 -10.712 1.00 0.00 H new ATOM 0 HE2 MET B 79 -2.813 8.717 -9.215 1.00 0.00 H new ATOM 0 HE3 MET B 79 -1.377 7.977 -9.961 1.00 0.00 H new ATOM 2737 N VAL B 80 -3.507 8.474 -3.471 1.00 0.00 N ATOM 2738 CA VAL B 80 -4.269 9.442 -2.630 1.00 0.00 C ATOM 2739 C VAL B 80 -3.407 9.895 -1.448 1.00 0.00 C ATOM 2740 O VAL B 80 -3.304 11.071 -1.161 1.00 0.00 O ATOM 2741 CB VAL B 80 -5.541 8.778 -2.097 1.00 0.00 C ATOM 2742 CG1 VAL B 80 -6.329 9.787 -1.257 1.00 0.00 C ATOM 2743 CG2 VAL B 80 -6.404 8.309 -3.270 1.00 0.00 C ATOM 0 H VAL B 80 -3.798 7.500 -3.391 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.535 10.305 -3.240 1.00 0.00 H new ATOM 0 HB VAL B 80 -5.271 7.921 -1.480 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.235 9.315 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.716 10.122 -0.420 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.598 10.644 -1.875 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -7.309 7.836 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -6.674 9.165 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -5.844 7.591 -3.869 1.00 0.00 H new ATOM 2753 N THR B 81 -2.787 8.976 -0.762 1.00 0.00 N ATOM 2754 CA THR B 81 -1.936 9.360 0.395 1.00 0.00 C ATOM 2755 C THR B 81 -0.709 10.122 -0.110 1.00 0.00 C ATOM 2756 O THR B 81 -0.275 11.088 0.487 1.00 0.00 O ATOM 2757 CB THR B 81 -1.487 8.097 1.128 1.00 0.00 C ATOM 2758 OG1 THR B 81 -1.043 7.136 0.182 1.00 0.00 O ATOM 2759 CG2 THR B 81 -2.658 7.524 1.929 1.00 0.00 C ATOM 0 H THR B 81 -2.834 7.975 -0.954 1.00 0.00 H new ATOM 0 HA THR B 81 -2.503 9.996 1.075 1.00 0.00 H new ATOM 0 HB THR B 81 -0.671 8.342 1.808 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.807 6.610 -0.134 1.00 0.00 H new ATOM 0 HG21 THR B 81 -2.336 6.623 2.451 1.00 0.00 H new ATOM 0 HG22 THR B 81 -2.998 8.262 2.655 1.00 0.00 H new ATOM 0 HG23 THR B 81 -3.476 7.278 1.252 1.00 0.00 H new ATOM 2767 N THR B 82 -0.147 9.694 -1.206 1.00 0.00 N ATOM 2768 CA THR B 82 1.052 10.390 -1.754 1.00 0.00 C ATOM 2769 C THR B 82 0.641 11.750 -2.321 1.00 0.00 C ATOM 2770 O THR B 82 1.449 12.650 -2.442 1.00 0.00 O ATOM 2771 CB THR B 82 1.675 9.541 -2.864 1.00 0.00 C ATOM 2772 OG1 THR B 82 0.680 9.215 -3.821 1.00 0.00 O ATOM 2773 CG2 THR B 82 2.252 8.258 -2.266 1.00 0.00 C ATOM 0 H THR B 82 -0.467 8.891 -1.747 1.00 0.00 H new ATOM 0 HA THR B 82 1.781 10.535 -0.957 1.00 0.00 H new ATOM 0 HB THR B 82 2.474 10.103 -3.347 1.00 0.00 H new ATOM 0 HG1 THR B 82 0.056 8.565 -3.436 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.695 7.655 -3.058 1.00 0.00 H new ATOM 0 HG22 THR B 82 3.017 8.511 -1.531 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.456 7.692 -1.781 1.00 0.00 H new ATOM 2781 N ALA B 83 -0.609 11.914 -2.663 1.00 0.00 N ATOM 2782 CA ALA B 83 -1.059 13.225 -3.212 1.00 0.00 C ATOM 2783 C ALA B 83 -0.837 14.304 -2.154 1.00 0.00 C ATOM 2784 O ALA B 83 -0.560 15.446 -2.462 1.00 0.00 O ATOM 2785 CB ALA B 83 -2.547 13.152 -3.562 1.00 0.00 C ATOM 0 H ALA B 83 -1.334 11.201 -2.586 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.491 13.463 -4.111 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -2.874 14.111 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.708 12.373 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.121 12.919 -2.665 1.00 0.00 H new