USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 851 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 99 SER OG : rot 180:sc= 0.281 USER MOD Set 1.2: A 104 TYR OH : rot 151:sc= 0.317 USER MOD Set 2.1: A 48 GLN : amide:sc= -2.26! C(o=-2.3!,f=-3.2!) USER MOD Set 2.2: A 68 SER OG : rot -130:sc= -0.0141 USER MOD Set 3.1: A 4 HIS : no HD1:sc= -0.582 K(o=-1.2,f=-0.012) USER MOD Set 3.2: A 8 HIS : no HD1:sc= -0.607 K(o=-1.2,f=-0.011) USER MOD Set 4.1: A 3 SER OG : rot 180:sc= -0.455 USER MOD Set 4.2: A 7 HIS : no HD1:sc= -0.522 K(o=-0.98,f=-1.8) USER MOD Single : A 1 ARG N :NH3+ -128:sc= 0.0945 (180deg=-0.184) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 11 SER OG : rot 100:sc= 0.717 USER MOD Single : A 14 GLN : amide:sc= -0.355 X(o=-0.35,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.31 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 20 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.32) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -159:sc= -0.236! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.0653 (180deg=-0.406) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 130:sc= -2.65! USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 13:sc= 0.782 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 135:sc= -1.39 (180deg=-3.78!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -4.25! C(o=-4.2!,f=-7.8!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.00497 K(o=0.005,f=-1.4) USER MOD Single : A 81 MET CE :methyl 142:sc= -2.1 (180deg=-5.7!) USER MOD Single : A 82 SER OG : rot 106:sc= -6! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 157:sc= -1.34 (180deg=-2.23) USER MOD Single : A 88 ASN : amide:sc= -0.0777 X(o=-0.078,f=-0.078) USER MOD Single : A 96 THR OG1 : rot -132:sc= -2.71 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -1.589 -5.465 0.223 1.00 0.00 N ATOM 2 CA ARG A 1 -1.513 -4.116 0.851 1.00 0.00 C ATOM 3 C ARG A 1 -2.926 -3.614 1.153 1.00 0.00 C ATOM 4 O ARG A 1 -3.897 -4.327 0.992 1.00 0.00 O ATOM 5 CB ARG A 1 -0.820 -3.146 -0.107 1.00 0.00 C ATOM 6 CG ARG A 1 0.650 -3.541 -0.259 1.00 0.00 C ATOM 7 CD ARG A 1 1.382 -2.478 -1.081 1.00 0.00 C ATOM 8 NE ARG A 1 0.737 -2.355 -2.419 1.00 0.00 N ATOM 9 CZ ARG A 1 1.188 -1.488 -3.283 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.672 -0.348 -2.872 1.00 0.00 N ATOM 11 NH2 ARG A 1 1.156 -1.762 -4.559 1.00 0.00 N ATOM 0 H1 ARG A 1 -0.971 -6.124 0.739 1.00 0.00 H new ATOM 0 H2 ARG A 1 -2.570 -5.810 0.259 1.00 0.00 H new ATOM 0 H3 ARG A 1 -1.279 -5.405 -0.768 1.00 0.00 H new ATOM 0 HA ARG A 1 -0.944 -4.178 1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -1.314 -3.162 -1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -0.896 -2.127 0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.114 -3.640 0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 1 0.728 -4.512 -0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 1 1.355 -1.519 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.432 -2.749 -1.195 1.00 0.00 H new ATOM 0 HE ARG A 1 -0.057 -2.949 -2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 1 1.698 -0.135 -1.875 1.00 0.00 H new ATOM 0 HH12 ARG A 1 2.025 0.330 -3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 1 0.778 -2.654 -4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 1 1.508 -1.084 -5.235 1.00 0.00 H new ATOM 27 N GLY A 2 -3.051 -2.390 1.590 1.00 0.00 N ATOM 28 CA GLY A 2 -4.401 -1.844 1.901 1.00 0.00 C ATOM 29 C GLY A 2 -5.328 -2.063 0.703 1.00 0.00 C ATOM 30 O GLY A 2 -5.134 -1.500 -0.355 1.00 0.00 O ATOM 0 H GLY A 2 -2.276 -1.745 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.809 -2.335 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.331 -0.781 2.131 1.00 0.00 H new ATOM 34 N SER A 3 -6.335 -2.879 0.861 1.00 0.00 N ATOM 35 CA SER A 3 -7.271 -3.134 -0.269 1.00 0.00 C ATOM 36 C SER A 3 -7.980 -1.831 -0.647 1.00 0.00 C ATOM 37 O SER A 3 -8.119 -1.504 -1.809 1.00 0.00 O ATOM 38 CB SER A 3 -8.310 -4.175 0.154 1.00 0.00 C ATOM 39 OG SER A 3 -8.680 -4.958 -0.970 1.00 0.00 O ATOM 0 H SER A 3 -6.549 -3.379 1.724 1.00 0.00 H new ATOM 0 HA SER A 3 -6.712 -3.507 -1.127 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.902 -4.814 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.187 -3.680 0.571 1.00 0.00 H new ATOM 0 HG SER A 3 -9.344 -5.625 -0.699 1.00 0.00 H new ATOM 45 N HIS A 4 -8.429 -1.085 0.325 1.00 0.00 N ATOM 46 CA HIS A 4 -9.129 0.194 0.019 1.00 0.00 C ATOM 47 C HIS A 4 -8.238 1.064 -0.871 1.00 0.00 C ATOM 48 O HIS A 4 -8.713 1.802 -1.710 1.00 0.00 O ATOM 49 CB HIS A 4 -9.427 0.936 1.323 1.00 0.00 C ATOM 50 CG HIS A 4 -10.779 0.523 1.836 1.00 0.00 C ATOM 51 ND1 HIS A 4 -11.171 -0.805 1.898 1.00 0.00 N ATOM 52 CD2 HIS A 4 -11.841 1.250 2.316 1.00 0.00 C ATOM 53 CE1 HIS A 4 -12.420 -0.837 2.397 1.00 0.00 C ATOM 54 NE2 HIS A 4 -12.876 0.390 2.669 1.00 0.00 N ATOM 0 H HIS A 4 -8.341 -1.306 1.317 1.00 0.00 H new ATOM 0 HA HIS A 4 -10.063 -0.019 -0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -8.661 0.712 2.065 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -9.403 2.013 1.155 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.868 2.326 2.406 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -12.985 -1.743 2.558 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.787 0.642 3.053 1.00 0.00 H new ATOM 62 N HIS A 5 -6.946 0.982 -0.694 1.00 0.00 N ATOM 63 CA HIS A 5 -6.027 1.804 -1.531 1.00 0.00 C ATOM 64 C HIS A 5 -6.319 1.545 -3.011 1.00 0.00 C ATOM 65 O HIS A 5 -6.194 2.425 -3.840 1.00 0.00 O ATOM 66 CB HIS A 5 -4.578 1.422 -1.223 1.00 0.00 C ATOM 67 CG HIS A 5 -3.651 2.429 -1.848 1.00 0.00 C ATOM 68 ND1 HIS A 5 -3.527 3.721 -1.361 1.00 0.00 N ATOM 69 CD2 HIS A 5 -2.797 2.348 -2.920 1.00 0.00 C ATOM 70 CE1 HIS A 5 -2.628 4.359 -2.132 1.00 0.00 C ATOM 71 NE2 HIS A 5 -2.153 3.569 -3.097 1.00 0.00 N ATOM 0 H HIS A 5 -6.489 0.382 -0.007 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.179 2.860 -1.309 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.421 1.387 -0.145 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.363 0.425 -1.609 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -2.648 1.471 -3.532 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -2.327 5.386 -1.988 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -1.465 3.809 -3.811 1.00 0.00 H new ATOM 79 N HIS A 6 -6.706 0.347 -3.348 1.00 0.00 N ATOM 80 CA HIS A 6 -7.006 0.034 -4.774 1.00 0.00 C ATOM 81 C HIS A 6 -8.516 0.103 -5.004 1.00 0.00 C ATOM 82 O HIS A 6 -8.977 0.500 -6.056 1.00 0.00 O ATOM 83 CB HIS A 6 -6.504 -1.373 -5.104 1.00 0.00 C ATOM 84 CG HIS A 6 -5.012 -1.430 -4.919 1.00 0.00 C ATOM 85 ND1 HIS A 6 -4.419 -2.207 -3.937 1.00 0.00 N ATOM 86 CD2 HIS A 6 -3.981 -0.812 -5.583 1.00 0.00 C ATOM 87 CE1 HIS A 6 -3.088 -2.038 -4.038 1.00 0.00 C ATOM 88 NE2 HIS A 6 -2.767 -1.198 -5.024 1.00 0.00 N ATOM 0 H HIS A 6 -6.828 -0.430 -2.698 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.507 0.758 -5.418 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.989 -2.105 -4.458 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.764 -1.632 -6.130 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -4.095 -0.130 -6.413 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -2.366 -2.524 -3.398 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -1.833 -0.903 -5.307 1.00 0.00 H new ATOM 96 N HIS A 7 -9.293 -0.282 -4.028 1.00 0.00 N ATOM 97 CA HIS A 7 -10.774 -0.238 -4.192 1.00 0.00 C ATOM 98 C HIS A 7 -11.230 1.217 -4.322 1.00 0.00 C ATOM 99 O HIS A 7 -12.119 1.532 -5.087 1.00 0.00 O ATOM 100 CB HIS A 7 -11.440 -0.873 -2.969 1.00 0.00 C ATOM 101 CG HIS A 7 -11.303 -2.369 -3.045 1.00 0.00 C ATOM 102 ND1 HIS A 7 -11.772 -3.102 -4.124 1.00 0.00 N ATOM 103 CD2 HIS A 7 -10.751 -3.284 -2.183 1.00 0.00 C ATOM 104 CE1 HIS A 7 -11.496 -4.397 -3.886 1.00 0.00 C ATOM 105 NE2 HIS A 7 -10.875 -4.564 -2.715 1.00 0.00 N ATOM 0 H HIS A 7 -8.966 -0.625 -3.125 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.057 -0.789 -5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.977 -0.501 -2.055 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.493 -0.595 -2.929 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.290 -3.046 -1.236 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -11.746 -5.203 -4.560 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.560 -5.441 -2.300 1.00 0.00 H new ATOM 113 N HIS A 8 -10.626 2.106 -3.582 1.00 0.00 N ATOM 114 CA HIS A 8 -11.027 3.538 -3.664 1.00 0.00 C ATOM 115 C HIS A 8 -9.831 4.375 -4.127 1.00 0.00 C ATOM 116 O HIS A 8 -8.708 4.146 -3.725 1.00 0.00 O ATOM 117 CB HIS A 8 -11.484 4.021 -2.287 1.00 0.00 C ATOM 118 CG HIS A 8 -12.604 3.146 -1.797 1.00 0.00 C ATOM 119 ND1 HIS A 8 -13.799 3.019 -2.487 1.00 0.00 N ATOM 120 CD2 HIS A 8 -12.725 2.348 -0.686 1.00 0.00 C ATOM 121 CE1 HIS A 8 -14.581 2.174 -1.791 1.00 0.00 C ATOM 122 NE2 HIS A 8 -13.976 1.735 -0.684 1.00 0.00 N ATOM 0 H HIS A 8 -9.873 1.902 -2.925 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.846 3.646 -4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -10.651 3.992 -1.584 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -11.816 5.058 -2.345 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -11.966 2.216 0.071 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.578 1.885 -2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -14.349 1.090 0.012 1.00 0.00 H new ATOM 130 N HIS A 9 -10.064 5.343 -4.971 1.00 0.00 N ATOM 131 CA HIS A 9 -8.942 6.193 -5.458 1.00 0.00 C ATOM 132 C HIS A 9 -8.979 7.547 -4.747 1.00 0.00 C ATOM 133 O HIS A 9 -8.082 8.357 -4.886 1.00 0.00 O ATOM 134 CB HIS A 9 -9.081 6.407 -6.967 1.00 0.00 C ATOM 135 CG HIS A 9 -9.082 5.073 -7.663 1.00 0.00 C ATOM 136 ND1 HIS A 9 -7.921 4.491 -8.147 1.00 0.00 N ATOM 137 CD2 HIS A 9 -10.096 4.197 -7.964 1.00 0.00 C ATOM 138 CE1 HIS A 9 -8.261 3.317 -8.709 1.00 0.00 C ATOM 139 NE2 HIS A 9 -9.574 3.088 -8.625 1.00 0.00 N ATOM 0 H HIS A 9 -10.983 5.581 -5.344 1.00 0.00 H new ATOM 0 HA HIS A 9 -7.995 5.697 -5.246 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.004 6.944 -7.186 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.259 7.021 -7.336 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -11.139 4.345 -7.725 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.557 2.641 -9.172 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -10.085 2.276 -8.971 1.00 0.00 H new ATOM 147 N GLY A 10 -10.009 7.801 -3.987 1.00 0.00 N ATOM 148 CA GLY A 10 -10.101 9.104 -3.269 1.00 0.00 C ATOM 149 C GLY A 10 -10.414 10.217 -4.271 1.00 0.00 C ATOM 150 O GLY A 10 -10.777 9.963 -5.402 1.00 0.00 O ATOM 0 H GLY A 10 -10.790 7.163 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.878 9.057 -2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.163 9.315 -2.755 1.00 0.00 H new ATOM 154 N SER A 11 -10.280 11.450 -3.864 1.00 0.00 N ATOM 155 CA SER A 11 -10.571 12.577 -4.794 1.00 0.00 C ATOM 156 C SER A 11 -9.257 13.173 -5.302 1.00 0.00 C ATOM 157 O SER A 11 -8.235 13.095 -4.650 1.00 0.00 O ATOM 158 CB SER A 11 -11.368 13.655 -4.056 1.00 0.00 C ATOM 159 OG SER A 11 -11.951 14.542 -4.998 1.00 0.00 O ATOM 0 H SER A 11 -9.982 11.725 -2.928 1.00 0.00 H new ATOM 0 HA SER A 11 -11.153 12.209 -5.639 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.145 13.194 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.715 14.205 -3.379 1.00 0.00 H new ATOM 0 HG SER A 11 -12.892 14.305 -5.131 1.00 0.00 H new ATOM 165 N ALA A 12 -9.275 13.770 -6.463 1.00 0.00 N ATOM 166 CA ALA A 12 -8.027 14.371 -7.013 1.00 0.00 C ATOM 167 C ALA A 12 -8.348 15.735 -7.628 1.00 0.00 C ATOM 168 O ALA A 12 -9.355 15.908 -8.285 1.00 0.00 O ATOM 169 CB ALA A 12 -7.447 13.450 -8.088 1.00 0.00 C ATOM 0 H ALA A 12 -10.100 13.867 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.299 14.495 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.534 13.890 -8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.219 12.478 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.174 13.325 -8.891 1.00 0.00 H new ATOM 175 N VAL A 13 -7.501 16.705 -7.418 1.00 0.00 N ATOM 176 CA VAL A 13 -7.761 18.056 -7.990 1.00 0.00 C ATOM 177 C VAL A 13 -6.568 18.492 -8.843 1.00 0.00 C ATOM 178 O VAL A 13 -5.434 18.441 -8.409 1.00 0.00 O ATOM 179 CB VAL A 13 -7.961 19.059 -6.851 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.442 20.392 -7.426 1.00 0.00 C ATOM 181 CG2 VAL A 13 -9.006 18.517 -5.873 1.00 0.00 C ATOM 0 H VAL A 13 -6.641 16.621 -6.876 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.657 18.020 -8.610 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.017 19.209 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.585 21.107 -6.616 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.698 20.777 -8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.387 20.243 -7.949 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.149 19.230 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.951 18.368 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.663 17.566 -5.464 1.00 0.00 H new ATOM 191 N GLN A 14 -6.810 18.923 -10.051 1.00 0.00 N ATOM 192 CA GLN A 14 -5.683 19.365 -10.921 1.00 0.00 C ATOM 193 C GLN A 14 -5.772 20.877 -11.135 1.00 0.00 C ATOM 194 O GLN A 14 -6.759 21.386 -11.627 1.00 0.00 O ATOM 195 CB GLN A 14 -5.765 18.648 -12.270 1.00 0.00 C ATOM 196 CG GLN A 14 -5.333 17.192 -12.100 1.00 0.00 C ATOM 197 CD GLN A 14 -5.113 16.561 -13.476 1.00 0.00 C ATOM 198 OE1 GLN A 14 -4.242 15.731 -13.646 1.00 0.00 O ATOM 199 NE2 GLN A 14 -5.871 16.923 -14.475 1.00 0.00 N ATOM 0 H GLN A 14 -7.737 18.988 -10.472 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.735 19.121 -10.442 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.783 18.694 -12.657 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.125 19.146 -12.998 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.416 17.140 -11.513 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.094 16.637 -11.551 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.603 17.620 -14.334 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.732 16.509 -15.397 1.00 0.00 H new ATOM 208 N VAL A 15 -4.752 21.600 -10.762 1.00 0.00 N ATOM 209 CA VAL A 15 -4.786 23.079 -10.938 1.00 0.00 C ATOM 210 C VAL A 15 -3.527 23.543 -11.676 1.00 0.00 C ATOM 211 O VAL A 15 -2.434 23.084 -11.411 1.00 0.00 O ATOM 212 CB VAL A 15 -4.847 23.748 -9.564 1.00 0.00 C ATOM 213 CG1 VAL A 15 -5.425 25.157 -9.703 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.736 22.921 -8.635 1.00 0.00 C ATOM 0 H VAL A 15 -3.898 21.231 -10.344 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.665 23.354 -11.521 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.842 23.810 -9.147 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.467 25.631 -8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.790 25.747 -10.364 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.430 25.098 -10.121 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.780 23.397 -7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.740 22.858 -9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.322 21.918 -8.533 1.00 0.00 H new ATOM 224 N THR A 16 -3.676 24.453 -12.602 1.00 0.00 N ATOM 225 CA THR A 16 -2.494 24.952 -13.359 1.00 0.00 C ATOM 226 C THR A 16 -2.650 26.455 -13.609 1.00 0.00 C ATOM 227 O THR A 16 -3.743 26.952 -13.793 1.00 0.00 O ATOM 228 CB THR A 16 -2.399 24.220 -14.699 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.449 24.657 -15.551 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.519 22.713 -14.468 1.00 0.00 C ATOM 0 H THR A 16 -4.568 24.872 -12.866 1.00 0.00 H new ATOM 0 HA THR A 16 -1.588 24.769 -12.781 1.00 0.00 H new ATOM 0 HB THR A 16 -1.438 24.438 -15.166 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.389 24.190 -16.411 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.451 22.192 -15.423 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.713 22.380 -13.815 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.479 22.492 -14.001 1.00 0.00 H new ATOM 238 N PHE A 17 -1.565 27.181 -13.616 1.00 0.00 N ATOM 239 CA PHE A 17 -1.654 28.651 -13.853 1.00 0.00 C ATOM 240 C PHE A 17 -0.885 29.015 -15.123 1.00 0.00 C ATOM 241 O PHE A 17 0.161 28.468 -15.404 1.00 0.00 O ATOM 242 CB PHE A 17 -1.035 29.396 -12.669 1.00 0.00 C ATOM 243 CG PHE A 17 -1.751 29.016 -11.396 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.521 27.767 -10.808 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.641 29.917 -10.799 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.181 27.417 -9.624 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.300 29.569 -9.615 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.070 28.319 -9.028 1.00 0.00 C ATOM 0 H PHE A 17 -0.622 26.821 -13.468 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.701 28.933 -13.963 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.024 29.153 -12.588 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.104 30.472 -12.828 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.834 27.072 -11.268 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.819 30.881 -11.253 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.004 26.453 -9.171 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.986 30.264 -9.154 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.579 28.050 -8.114 1.00 0.00 H new ATOM 258 N THR A 18 -1.387 29.943 -15.891 1.00 0.00 N ATOM 259 CA THR A 18 -0.668 30.342 -17.133 1.00 0.00 C ATOM 260 C THR A 18 -0.714 31.866 -17.278 1.00 0.00 C ATOM 261 O THR A 18 -1.761 32.475 -17.194 1.00 0.00 O ATOM 262 CB THR A 18 -1.332 29.687 -18.347 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.362 28.278 -18.165 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.536 30.024 -19.610 1.00 0.00 C ATOM 0 H THR A 18 -2.260 30.440 -15.713 1.00 0.00 H new ATOM 0 HA THR A 18 0.370 30.014 -17.074 1.00 0.00 H new ATOM 0 HB THR A 18 -2.350 30.062 -18.452 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.788 27.857 -18.941 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.009 29.557 -20.474 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.514 31.105 -19.748 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.483 29.650 -19.509 1.00 0.00 H new ATOM 272 N VAL A 19 0.415 32.485 -17.493 1.00 0.00 N ATOM 273 CA VAL A 19 0.436 33.968 -17.641 1.00 0.00 C ATOM 274 C VAL A 19 -0.061 34.346 -19.037 1.00 0.00 C ATOM 275 O VAL A 19 0.278 33.714 -20.017 1.00 0.00 O ATOM 276 CB VAL A 19 1.867 34.476 -17.457 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.866 36.006 -17.433 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.431 33.945 -16.138 1.00 0.00 C ATOM 0 H VAL A 19 1.323 32.028 -17.573 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.211 34.419 -16.889 1.00 0.00 H new ATOM 0 HB VAL A 19 2.486 34.126 -18.283 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.886 36.368 -17.302 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.464 36.384 -18.373 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.247 36.357 -16.607 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.451 34.307 -16.006 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.813 34.294 -15.311 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.432 32.855 -16.155 1.00 0.00 H new ATOM 288 N GLN A 20 -0.861 35.373 -19.140 1.00 0.00 N ATOM 289 CA GLN A 20 -1.370 35.781 -20.479 1.00 0.00 C ATOM 290 C GLN A 20 -0.656 37.057 -20.930 1.00 0.00 C ATOM 291 O GLN A 20 0.223 37.560 -20.258 1.00 0.00 O ATOM 292 CB GLN A 20 -2.876 36.042 -20.395 1.00 0.00 C ATOM 293 CG GLN A 20 -3.582 34.787 -19.882 1.00 0.00 C ATOM 294 CD GLN A 20 -3.318 33.624 -20.840 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.497 33.755 -22.035 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.896 32.484 -20.365 1.00 0.00 N ATOM 0 H GLN A 20 -1.182 35.944 -18.358 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.179 34.984 -21.198 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.074 36.882 -19.729 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.264 36.315 -21.376 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.223 34.538 -18.883 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.654 34.968 -19.800 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.746 32.374 -19.362 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.717 31.703 -20.997 1.00 0.00 H new ATOM 305 N LYS A 21 -1.029 37.583 -22.064 1.00 0.00 N ATOM 306 CA LYS A 21 -0.378 38.825 -22.564 1.00 0.00 C ATOM 307 C LYS A 21 -0.933 40.037 -21.812 1.00 0.00 C ATOM 308 O LYS A 21 -2.074 40.417 -21.991 1.00 0.00 O ATOM 309 CB LYS A 21 -0.676 38.982 -24.056 1.00 0.00 C ATOM 310 CG LYS A 21 0.014 37.860 -24.835 1.00 0.00 C ATOM 311 CD LYS A 21 -0.280 38.019 -26.327 1.00 0.00 C ATOM 312 CE LYS A 21 0.065 36.720 -27.058 1.00 0.00 C ATOM 313 NZ LYS A 21 -0.909 36.498 -28.163 1.00 0.00 N ATOM 0 H LYS A 21 -1.759 37.204 -22.667 1.00 0.00 H new ATOM 0 HA LYS A 21 0.698 38.760 -22.404 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.752 38.950 -24.228 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.325 39.952 -24.408 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.089 37.890 -24.660 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.339 36.890 -24.485 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.331 38.265 -26.477 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.302 38.845 -26.737 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.078 36.773 -27.457 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.040 35.881 -26.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.675 35.615 -28.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.870 36.430 -27.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.864 37.294 -28.831 1.00 0.00 H new ATOM 327 N GLY A 22 -0.141 40.657 -20.978 1.00 0.00 N ATOM 328 CA GLY A 22 -0.643 41.847 -20.234 1.00 0.00 C ATOM 329 C GLY A 22 -0.104 41.849 -18.799 1.00 0.00 C ATOM 330 O GLY A 22 -0.390 42.743 -18.028 1.00 0.00 O ATOM 0 H GLY A 22 0.824 40.393 -20.781 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.336 42.759 -20.745 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.733 41.841 -20.219 1.00 0.00 H new ATOM 334 N SER A 23 0.673 40.867 -18.428 1.00 0.00 N ATOM 335 CA SER A 23 1.213 40.840 -17.039 1.00 0.00 C ATOM 336 C SER A 23 1.977 42.138 -16.765 1.00 0.00 C ATOM 337 O SER A 23 2.615 42.689 -17.640 1.00 0.00 O ATOM 338 CB SER A 23 2.157 39.647 -16.880 1.00 0.00 C ATOM 339 OG SER A 23 2.391 39.409 -15.500 1.00 0.00 O ATOM 0 H SER A 23 0.955 40.088 -19.022 1.00 0.00 H new ATOM 0 HA SER A 23 0.390 40.746 -16.331 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.723 38.762 -17.344 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.099 39.845 -17.391 1.00 0.00 H new ATOM 0 HG SER A 23 3.219 38.896 -15.392 1.00 0.00 H new ATOM 345 N ASP A 24 1.916 42.634 -15.559 1.00 0.00 N ATOM 346 CA ASP A 24 2.637 43.898 -15.235 1.00 0.00 C ATOM 347 C ASP A 24 3.340 43.757 -13.883 1.00 0.00 C ATOM 348 O ASP A 24 3.110 42.817 -13.148 1.00 0.00 O ATOM 349 CB ASP A 24 1.638 45.059 -15.169 1.00 0.00 C ATOM 350 CG ASP A 24 0.378 44.702 -15.962 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.247 43.708 -15.631 1.00 0.00 O ATOM 352 OD2 ASP A 24 0.057 45.432 -16.886 1.00 0.00 O ATOM 0 H ASP A 24 1.398 42.219 -14.784 1.00 0.00 H new ATOM 0 HA ASP A 24 3.376 44.098 -16.011 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.379 45.270 -14.131 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.090 45.964 -15.575 1.00 0.00 H new ATOM 357 N PRO A 25 4.216 44.718 -13.552 1.00 0.00 N ATOM 358 CA PRO A 25 4.962 44.715 -12.286 1.00 0.00 C ATOM 359 C PRO A 25 4.050 44.988 -11.086 1.00 0.00 C ATOM 360 O PRO A 25 4.315 44.553 -9.984 1.00 0.00 O ATOM 361 CB PRO A 25 5.959 45.860 -12.454 1.00 0.00 C ATOM 362 CG PRO A 25 5.325 46.768 -13.452 1.00 0.00 C ATOM 363 CD PRO A 25 4.547 45.886 -14.387 1.00 0.00 C ATOM 0 HA PRO A 25 5.429 43.750 -12.091 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.137 46.373 -11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.924 45.496 -12.806 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.670 47.489 -12.962 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.079 47.339 -13.993 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.650 46.383 -14.757 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.137 45.603 -15.259 1.00 0.00 H new ATOM 371 N LYS A 26 2.975 45.697 -11.291 1.00 0.00 N ATOM 372 CA LYS A 26 2.048 45.986 -10.160 1.00 0.00 C ATOM 373 C LYS A 26 0.709 45.297 -10.425 1.00 0.00 C ATOM 374 O LYS A 26 -0.263 45.508 -9.726 1.00 0.00 O ATOM 375 CB LYS A 26 1.836 47.496 -10.043 1.00 0.00 C ATOM 376 CG LYS A 26 3.193 48.192 -9.921 1.00 0.00 C ATOM 377 CD LYS A 26 2.991 49.709 -9.921 1.00 0.00 C ATOM 378 CE LYS A 26 4.353 50.404 -9.974 1.00 0.00 C ATOM 379 NZ LYS A 26 4.196 51.758 -10.575 1.00 0.00 N ATOM 0 H LYS A 26 2.698 46.089 -12.191 1.00 0.00 H new ATOM 0 HA LYS A 26 2.475 45.613 -9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.301 47.868 -10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.220 47.721 -9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.692 47.881 -9.003 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.839 47.901 -10.749 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.385 50.006 -10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.449 50.015 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.771 50.486 -8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.053 49.812 -10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.121 52.231 -10.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.815 51.668 -11.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.542 52.321 -9.995 1.00 0.00 H new ATOM 393 N LYS A 27 0.655 44.474 -11.435 1.00 0.00 N ATOM 394 CA LYS A 27 -0.610 43.762 -11.765 1.00 0.00 C ATOM 395 C LYS A 27 -0.274 42.357 -12.264 1.00 0.00 C ATOM 396 O LYS A 27 0.608 42.175 -13.079 1.00 0.00 O ATOM 397 CB LYS A 27 -1.346 44.529 -12.866 1.00 0.00 C ATOM 398 CG LYS A 27 -1.739 45.912 -12.342 1.00 0.00 C ATOM 399 CD LYS A 27 -2.504 46.671 -13.428 1.00 0.00 C ATOM 400 CE LYS A 27 -2.676 48.131 -13.005 1.00 0.00 C ATOM 401 NZ LYS A 27 -1.360 48.827 -13.071 1.00 0.00 N ATOM 0 H LYS A 27 1.440 44.263 -12.051 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.242 43.697 -10.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.709 44.628 -13.745 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.234 43.979 -13.177 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.357 45.812 -11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.848 46.470 -12.053 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.964 46.616 -14.374 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.479 46.211 -13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.395 48.627 -13.657 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.076 48.182 -11.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.513 49.852 -13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.818 48.627 -12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.829 48.488 -13.899 1.00 0.00 H new ATOM 415 N LEU A 28 -0.963 41.357 -11.787 1.00 0.00 N ATOM 416 CA LEU A 28 -0.663 39.973 -12.249 1.00 0.00 C ATOM 417 C LEU A 28 -1.922 39.354 -12.861 1.00 0.00 C ATOM 418 O LEU A 28 -2.956 39.247 -12.231 1.00 0.00 O ATOM 419 CB LEU A 28 -0.178 39.125 -11.065 1.00 0.00 C ATOM 420 CG LEU A 28 0.622 37.909 -11.553 1.00 0.00 C ATOM 421 CD1 LEU A 28 0.126 37.462 -12.928 1.00 0.00 C ATOM 422 CD2 LEU A 28 2.104 38.274 -11.640 1.00 0.00 C ATOM 0 H LEU A 28 -1.715 41.437 -11.103 1.00 0.00 H new ATOM 0 HA LEU A 28 0.122 40.004 -13.005 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.443 39.733 -10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.033 38.791 -10.478 1.00 0.00 H new ATOM 0 HG LEU A 28 0.485 37.091 -10.846 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.703 36.599 -13.260 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.928 37.191 -12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.249 38.277 -13.642 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.672 37.410 -11.986 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.235 39.099 -12.340 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.463 38.573 -10.655 1.00 0.00 H new ATOM 434 N VAL A 29 -1.817 38.933 -14.092 1.00 0.00 N ATOM 435 CA VAL A 29 -2.970 38.300 -14.789 1.00 0.00 C ATOM 436 C VAL A 29 -2.562 36.887 -15.197 1.00 0.00 C ATOM 437 O VAL A 29 -1.554 36.693 -15.848 1.00 0.00 O ATOM 438 CB VAL A 29 -3.316 39.109 -16.041 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.699 38.693 -16.549 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.324 40.601 -15.701 1.00 0.00 C ATOM 0 H VAL A 29 -0.967 39.003 -14.652 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.839 38.270 -14.132 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.571 38.919 -16.814 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.947 39.268 -17.441 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.693 37.631 -16.793 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.443 38.884 -15.776 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.571 41.176 -16.593 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.068 40.794 -14.928 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.339 40.897 -15.339 1.00 0.00 H new ATOM 450 N LEU A 30 -3.319 35.893 -14.825 1.00 0.00 N ATOM 451 CA LEU A 30 -2.936 34.504 -15.203 1.00 0.00 C ATOM 452 C LEU A 30 -4.184 33.668 -15.472 1.00 0.00 C ATOM 453 O LEU A 30 -5.197 33.817 -14.819 1.00 0.00 O ATOM 454 CB LEU A 30 -2.152 33.854 -14.056 1.00 0.00 C ATOM 455 CG LEU A 30 -0.936 34.707 -13.691 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.950 34.990 -12.187 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.344 33.952 -14.054 1.00 0.00 C ATOM 0 H LEU A 30 -4.178 35.980 -14.281 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.322 34.547 -16.102 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.798 33.738 -13.185 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.829 32.855 -14.348 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.971 35.647 -14.241 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.085 35.598 -11.923 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.863 35.526 -11.926 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.913 34.048 -11.639 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.211 34.560 -13.794 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.381 33.012 -13.503 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.353 33.745 -15.124 1.00 0.00 H new ATOM 469 N ASP A 31 -4.106 32.761 -16.406 1.00 0.00 N ATOM 470 CA ASP A 31 -5.273 31.886 -16.685 1.00 0.00 C ATOM 471 C ASP A 31 -5.224 30.733 -15.688 1.00 0.00 C ATOM 472 O ASP A 31 -4.177 30.166 -15.441 1.00 0.00 O ATOM 473 CB ASP A 31 -5.191 31.344 -18.114 1.00 0.00 C ATOM 474 CG ASP A 31 -6.437 30.510 -18.419 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.306 30.446 -17.564 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.502 29.950 -19.500 1.00 0.00 O ATOM 0 H ASP A 31 -3.285 32.590 -16.986 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.205 32.443 -16.587 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.111 32.169 -18.822 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.295 30.734 -18.232 1.00 0.00 H new ATOM 481 N ILE A 32 -6.327 30.387 -15.088 1.00 0.00 N ATOM 482 CA ILE A 32 -6.284 29.287 -14.094 1.00 0.00 C ATOM 483 C ILE A 32 -7.109 28.093 -14.559 1.00 0.00 C ATOM 484 O ILE A 32 -8.281 28.203 -14.863 1.00 0.00 O ATOM 485 CB ILE A 32 -6.826 29.794 -12.764 1.00 0.00 C ATOM 486 CG1 ILE A 32 -6.197 31.157 -12.459 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.505 28.782 -11.661 1.00 0.00 C ATOM 488 CD1 ILE A 32 -6.077 31.355 -10.950 1.00 0.00 C ATOM 0 H ILE A 32 -7.242 30.812 -15.241 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.250 28.962 -13.980 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.909 29.909 -12.815 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.212 31.223 -12.921 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.806 31.952 -12.890 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.893 29.146 -10.710 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.968 27.825 -11.900 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.425 28.654 -11.587 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.629 32.327 -10.745 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.067 31.310 -10.497 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.449 30.570 -10.529 1.00 0.00 H new ATOM 500 N LYS A 33 -6.503 26.938 -14.571 1.00 0.00 N ATOM 501 CA LYS A 33 -7.238 25.709 -14.963 1.00 0.00 C ATOM 502 C LYS A 33 -7.449 24.886 -13.696 1.00 0.00 C ATOM 503 O LYS A 33 -6.514 24.429 -13.068 1.00 0.00 O ATOM 504 CB LYS A 33 -6.434 24.909 -15.989 1.00 0.00 C ATOM 505 CG LYS A 33 -7.352 23.900 -16.682 1.00 0.00 C ATOM 506 CD LYS A 33 -6.546 23.095 -17.705 1.00 0.00 C ATOM 507 CE LYS A 33 -5.613 22.126 -16.973 1.00 0.00 C ATOM 508 NZ LYS A 33 -5.724 20.772 -17.586 1.00 0.00 N ATOM 0 H LYS A 33 -5.524 26.795 -14.324 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.193 25.963 -15.422 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.993 25.581 -16.725 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.611 24.390 -15.498 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.796 23.231 -15.945 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.173 24.419 -17.177 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.219 22.543 -18.361 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.966 23.767 -18.337 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.584 22.481 -17.032 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.875 22.081 -15.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.091 20.113 -17.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.705 20.435 -17.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.454 20.822 -18.589 1.00 0.00 H new ATOM 522 N TYR A 34 -8.677 24.719 -13.309 1.00 0.00 N ATOM 523 CA TYR A 34 -8.980 23.957 -12.071 1.00 0.00 C ATOM 524 C TYR A 34 -9.936 22.808 -12.390 1.00 0.00 C ATOM 525 O TYR A 34 -11.104 23.014 -12.659 1.00 0.00 O ATOM 526 CB TYR A 34 -9.624 24.908 -11.064 1.00 0.00 C ATOM 527 CG TYR A 34 -9.887 24.175 -9.772 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.869 24.057 -8.818 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.146 23.614 -9.526 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.110 23.379 -7.618 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.386 22.935 -8.325 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.368 22.818 -7.371 1.00 0.00 C ATOM 533 OH TYR A 34 -10.605 22.150 -6.187 1.00 0.00 O ATOM 0 H TYR A 34 -9.493 25.081 -13.802 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.063 23.540 -11.654 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.969 25.760 -10.883 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.557 25.303 -11.466 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.898 24.489 -9.008 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.931 23.705 -10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.325 23.289 -6.882 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.357 22.501 -8.135 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.429 22.489 -5.780 1.00 0.00 H new ATOM 543 N THR A 35 -9.449 21.599 -12.364 1.00 0.00 N ATOM 544 CA THR A 35 -10.327 20.434 -12.667 1.00 0.00 C ATOM 545 C THR A 35 -10.574 19.635 -11.385 1.00 0.00 C ATOM 546 O THR A 35 -9.660 19.101 -10.789 1.00 0.00 O ATOM 547 CB THR A 35 -9.647 19.537 -13.705 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.370 20.296 -14.873 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.571 18.370 -14.058 1.00 0.00 C ATOM 0 H THR A 35 -8.480 21.367 -12.146 1.00 0.00 H new ATOM 0 HA THR A 35 -11.278 20.790 -13.063 1.00 0.00 H new ATOM 0 HB THR A 35 -8.715 19.147 -13.295 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.933 19.725 -15.539 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.086 17.732 -14.797 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.783 17.789 -13.160 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.504 18.756 -14.469 1.00 0.00 H new ATOM 557 N ARG A 36 -11.804 19.550 -10.960 1.00 0.00 N ATOM 558 CA ARG A 36 -12.113 18.786 -9.719 1.00 0.00 C ATOM 559 C ARG A 36 -13.468 18.094 -9.874 1.00 0.00 C ATOM 560 O ARG A 36 -14.495 18.737 -9.974 1.00 0.00 O ATOM 561 CB ARG A 36 -12.163 19.743 -8.527 1.00 0.00 C ATOM 562 CG ARG A 36 -12.334 18.942 -7.235 1.00 0.00 C ATOM 563 CD ARG A 36 -12.457 19.901 -6.050 1.00 0.00 C ATOM 564 NE ARG A 36 -12.995 19.168 -4.871 1.00 0.00 N ATOM 565 CZ ARG A 36 -12.496 18.008 -4.541 1.00 0.00 C ATOM 566 NH1 ARG A 36 -11.238 17.908 -4.210 1.00 0.00 N ATOM 567 NH2 ARG A 36 -13.257 16.947 -4.542 1.00 0.00 N ATOM 0 H ARG A 36 -12.609 19.977 -11.419 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.338 18.038 -9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.248 20.333 -8.483 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.989 20.444 -8.645 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.221 18.313 -7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.482 18.278 -7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.483 20.329 -5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.115 20.731 -6.307 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.753 19.572 -4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.643 18.737 -4.209 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.849 17.001 -3.952 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.241 17.025 -4.801 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.868 16.040 -4.284 1.00 0.00 H new ATOM 581 N PRO A 37 -13.465 16.753 -9.896 1.00 0.00 N ATOM 582 CA PRO A 37 -14.692 15.959 -10.041 1.00 0.00 C ATOM 583 C PRO A 37 -15.579 16.050 -8.796 1.00 0.00 C ATOM 584 O PRO A 37 -15.172 15.702 -7.706 1.00 0.00 O ATOM 585 CB PRO A 37 -14.175 14.531 -10.212 1.00 0.00 C ATOM 586 CG PRO A 37 -12.837 14.535 -9.554 1.00 0.00 C ATOM 587 CD PRO A 37 -12.265 15.906 -9.780 1.00 0.00 C ATOM 0 HA PRO A 37 -15.308 16.306 -10.870 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.844 13.808 -9.745 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.098 14.260 -11.265 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.926 14.321 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.191 13.768 -9.981 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.629 16.219 -8.952 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.655 15.945 -10.683 1.00 0.00 H new ATOM 595 N GLY A 38 -16.787 16.517 -8.951 1.00 0.00 N ATOM 596 CA GLY A 38 -17.699 16.630 -7.777 1.00 0.00 C ATOM 597 C GLY A 38 -17.656 18.061 -7.235 1.00 0.00 C ATOM 598 O GLY A 38 -18.544 18.492 -6.528 1.00 0.00 O ATOM 0 H GLY A 38 -17.182 16.825 -9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.717 16.370 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.399 15.926 -7.001 1.00 0.00 H new ATOM 602 N ASP A 39 -16.630 18.799 -7.560 1.00 0.00 N ATOM 603 CA ASP A 39 -16.533 20.200 -7.061 1.00 0.00 C ATOM 604 C ASP A 39 -15.974 21.100 -8.166 1.00 0.00 C ATOM 605 O ASP A 39 -15.699 20.653 -9.263 1.00 0.00 O ATOM 606 CB ASP A 39 -15.602 20.246 -5.847 1.00 0.00 C ATOM 607 CG ASP A 39 -16.435 20.223 -4.564 1.00 0.00 C ATOM 608 OD1 ASP A 39 -17.609 20.548 -4.637 1.00 0.00 O ATOM 609 OD2 ASP A 39 -15.885 19.882 -3.530 1.00 0.00 O ATOM 0 H ASP A 39 -15.855 18.493 -8.149 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.524 20.551 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.920 19.396 -5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.989 21.147 -5.879 1.00 0.00 H new ATOM 614 N SER A 40 -15.807 22.364 -7.887 1.00 0.00 N ATOM 615 CA SER A 40 -15.268 23.292 -8.923 1.00 0.00 C ATOM 616 C SER A 40 -14.612 24.495 -8.241 1.00 0.00 C ATOM 617 O SER A 40 -14.843 24.762 -7.078 1.00 0.00 O ATOM 618 CB SER A 40 -16.413 23.776 -9.814 1.00 0.00 C ATOM 619 OG SER A 40 -16.781 22.742 -10.715 1.00 0.00 O ATOM 0 H SER A 40 -16.020 22.795 -6.987 1.00 0.00 H new ATOM 0 HA SER A 40 -14.527 22.770 -9.529 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.269 24.061 -9.202 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.107 24.664 -10.368 1.00 0.00 H new ATOM 0 HG SER A 40 -16.365 21.900 -10.435 1.00 0.00 H new ATOM 625 N LEU A 41 -13.799 25.226 -8.955 1.00 0.00 N ATOM 626 CA LEU A 41 -13.134 26.412 -8.345 1.00 0.00 C ATOM 627 C LEU A 41 -14.177 27.503 -8.094 1.00 0.00 C ATOM 628 O LEU A 41 -14.940 27.857 -8.970 1.00 0.00 O ATOM 629 CB LEU A 41 -12.065 26.943 -9.303 1.00 0.00 C ATOM 630 CG LEU A 41 -11.522 28.271 -8.776 1.00 0.00 C ATOM 631 CD1 LEU A 41 -11.054 28.094 -7.330 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.345 28.721 -9.643 1.00 0.00 C ATOM 0 H LEU A 41 -13.567 25.053 -9.933 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.669 26.126 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.256 26.219 -9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.489 27.080 -10.298 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.308 29.025 -8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.667 29.041 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.893 27.775 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.268 27.340 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.958 29.668 -9.267 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.558 27.968 -9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.679 28.849 -10.673 1.00 0.00 H new ATOM 644 N ALA A 42 -14.224 28.035 -6.902 1.00 0.00 N ATOM 645 CA ALA A 42 -15.227 29.096 -6.604 1.00 0.00 C ATOM 646 C ALA A 42 -14.516 30.414 -6.295 1.00 0.00 C ATOM 647 O ALA A 42 -14.932 31.469 -6.729 1.00 0.00 O ATOM 648 CB ALA A 42 -16.061 28.681 -5.393 1.00 0.00 C ATOM 0 H ALA A 42 -13.614 27.782 -6.125 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.873 29.229 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.795 29.456 -5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.576 27.745 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.408 28.545 -4.531 1.00 0.00 H new ATOM 654 N GLU A 43 -13.453 30.366 -5.541 1.00 0.00 N ATOM 655 CA GLU A 43 -12.732 31.627 -5.204 1.00 0.00 C ATOM 656 C GLU A 43 -11.220 31.406 -5.270 1.00 0.00 C ATOM 657 O GLU A 43 -10.720 30.335 -4.982 1.00 0.00 O ATOM 658 CB GLU A 43 -13.116 32.073 -3.793 1.00 0.00 C ATOM 659 CG GLU A 43 -14.566 32.563 -3.789 1.00 0.00 C ATOM 660 CD GLU A 43 -14.834 33.351 -2.504 1.00 0.00 C ATOM 661 OE1 GLU A 43 -13.985 33.323 -1.628 1.00 0.00 O ATOM 662 OE2 GLU A 43 -15.883 33.968 -2.419 1.00 0.00 O ATOM 0 H GLU A 43 -13.054 29.515 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.012 32.396 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.999 31.245 -3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.451 32.869 -3.458 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.751 33.192 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.248 31.715 -3.858 1.00 0.00 H new ATOM 669 N VAL A 44 -10.489 32.420 -5.645 1.00 0.00 N ATOM 670 CA VAL A 44 -9.008 32.296 -5.734 1.00 0.00 C ATOM 671 C VAL A 44 -8.370 33.566 -5.166 1.00 0.00 C ATOM 672 O VAL A 44 -8.805 34.663 -5.452 1.00 0.00 O ATOM 673 CB VAL A 44 -8.601 32.136 -7.200 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.075 32.151 -7.312 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.139 30.808 -7.735 1.00 0.00 C ATOM 0 H VAL A 44 -10.859 33.337 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.673 31.427 -5.167 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.015 32.958 -7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.786 32.037 -8.357 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.691 33.097 -6.930 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.659 31.329 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.850 30.693 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.725 29.986 -7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.226 30.798 -7.656 1.00 0.00 H new ATOM 685 N GLU A 45 -7.345 33.439 -4.368 1.00 0.00 N ATOM 686 CA GLU A 45 -6.705 34.662 -3.804 1.00 0.00 C ATOM 687 C GLU A 45 -5.193 34.605 -4.028 1.00 0.00 C ATOM 688 O GLU A 45 -4.603 33.546 -4.109 1.00 0.00 O ATOM 689 CB GLU A 45 -7.006 34.765 -2.308 1.00 0.00 C ATOM 690 CG GLU A 45 -8.521 34.809 -2.095 1.00 0.00 C ATOM 691 CD GLU A 45 -8.825 34.832 -0.596 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.896 34.681 0.180 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.983 35.000 -0.250 1.00 0.00 O ATOM 0 H GLU A 45 -6.927 32.553 -4.085 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.108 35.540 -4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.578 33.912 -1.780 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.543 35.661 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.941 35.693 -2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.990 33.941 -2.559 1.00 0.00 H new ATOM 700 N LEU A 46 -4.567 35.744 -4.135 1.00 0.00 N ATOM 701 CA LEU A 46 -3.094 35.774 -4.363 1.00 0.00 C ATOM 702 C LEU A 46 -2.413 36.537 -3.225 1.00 0.00 C ATOM 703 O LEU A 46 -2.902 37.549 -2.764 1.00 0.00 O ATOM 704 CB LEU A 46 -2.806 36.489 -5.686 1.00 0.00 C ATOM 705 CG LEU A 46 -1.309 36.412 -5.992 1.00 0.00 C ATOM 706 CD1 LEU A 46 -1.071 36.762 -7.464 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.552 37.403 -5.106 1.00 0.00 C ATOM 0 H LEU A 46 -5.013 36.659 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.711 34.754 -4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.377 36.029 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.123 37.530 -5.625 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.951 35.402 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.005 36.707 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.608 36.056 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.431 37.772 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.514 37.347 -5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.910 38.414 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.720 37.156 -4.058 1.00 0.00 H new ATOM 719 N ARG A 47 -1.282 36.068 -2.777 1.00 0.00 N ATOM 720 CA ARG A 47 -0.564 36.777 -1.680 1.00 0.00 C ATOM 721 C ARG A 47 0.868 37.074 -2.128 1.00 0.00 C ATOM 722 O ARG A 47 1.583 36.201 -2.576 1.00 0.00 O ATOM 723 CB ARG A 47 -0.542 35.905 -0.424 1.00 0.00 C ATOM 724 CG ARG A 47 0.414 36.513 0.603 1.00 0.00 C ATOM 725 CD ARG A 47 0.162 35.882 1.973 1.00 0.00 C ATOM 726 NE ARG A 47 1.072 34.717 2.158 1.00 0.00 N ATOM 727 CZ ARG A 47 1.009 34.008 3.252 1.00 0.00 C ATOM 728 NH1 ARG A 47 1.273 34.560 4.404 1.00 0.00 N ATOM 729 NH2 ARG A 47 0.681 32.745 3.193 1.00 0.00 N ATOM 0 H ARG A 47 -0.824 35.225 -3.122 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.078 37.711 -1.452 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.545 35.830 -0.003 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.226 34.893 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.447 36.345 0.298 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.269 37.592 0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.330 36.617 2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.877 35.562 2.052 1.00 0.00 H new ATOM 0 HE ARG A 47 1.744 34.474 1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.529 35.546 4.450 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.224 34.005 5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.474 32.313 2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.632 32.190 4.048 1.00 0.00 H new ATOM 743 N GLN A 48 1.290 38.304 -2.013 1.00 0.00 N ATOM 744 CA GLN A 48 2.673 38.662 -2.438 1.00 0.00 C ATOM 745 C GLN A 48 3.684 38.036 -1.475 1.00 0.00 C ATOM 746 O GLN A 48 3.438 37.919 -0.291 1.00 0.00 O ATOM 747 CB GLN A 48 2.832 40.183 -2.425 1.00 0.00 C ATOM 748 CG GLN A 48 1.845 40.807 -3.413 1.00 0.00 C ATOM 749 CD GLN A 48 2.421 42.121 -3.948 1.00 0.00 C ATOM 750 OE1 GLN A 48 3.565 42.442 -3.697 1.00 0.00 O ATOM 751 NE2 GLN A 48 1.670 42.898 -4.679 1.00 0.00 N ATOM 0 H GLN A 48 0.736 39.077 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 48 2.851 38.285 -3.445 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.652 40.570 -1.422 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.853 40.455 -2.693 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.654 40.119 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.889 40.990 -2.922 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.709 42.628 -4.889 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.044 43.776 -5.040 1.00 0.00 H new ATOM 760 N HIS A 49 4.820 37.635 -1.975 1.00 0.00 N ATOM 761 CA HIS A 49 5.845 37.017 -1.088 1.00 0.00 C ATOM 762 C HIS A 49 6.319 38.049 -0.062 1.00 0.00 C ATOM 763 O HIS A 49 6.944 39.034 -0.402 1.00 0.00 O ATOM 764 CB HIS A 49 7.037 36.553 -1.929 1.00 0.00 C ATOM 765 CG HIS A 49 8.220 36.307 -1.033 1.00 0.00 C ATOM 766 ND1 HIS A 49 8.180 35.396 0.011 1.00 0.00 N ATOM 767 CD2 HIS A 49 9.483 36.845 -1.011 1.00 0.00 C ATOM 768 CE1 HIS A 49 9.384 35.413 0.612 1.00 0.00 C ATOM 769 NE2 HIS A 49 10.216 36.279 0.027 1.00 0.00 N ATOM 0 H HIS A 49 5.083 37.708 -2.958 1.00 0.00 H new ATOM 0 HA HIS A 49 5.409 36.162 -0.572 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.781 35.642 -2.469 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.284 37.308 -2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.852 37.594 -1.696 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.645 34.801 1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.182 36.482 0.286 1.00 0.00 H new ATOM 777 N GLY A 50 6.031 37.829 1.192 1.00 0.00 N ATOM 778 CA GLY A 50 6.472 38.795 2.238 1.00 0.00 C ATOM 779 C GLY A 50 5.257 39.538 2.796 1.00 0.00 C ATOM 780 O GLY A 50 5.380 40.404 3.639 1.00 0.00 O ATOM 0 H GLY A 50 5.510 37.023 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.988 38.267 3.040 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.182 39.505 1.815 1.00 0.00 H new ATOM 784 N SER A 51 4.081 39.209 2.334 1.00 0.00 N ATOM 785 CA SER A 51 2.863 39.899 2.842 1.00 0.00 C ATOM 786 C SER A 51 1.995 38.900 3.608 1.00 0.00 C ATOM 787 O SER A 51 2.051 37.709 3.377 1.00 0.00 O ATOM 788 CB SER A 51 2.070 40.469 1.664 1.00 0.00 C ATOM 789 OG SER A 51 0.973 41.227 2.155 1.00 0.00 O ATOM 0 H SER A 51 3.912 38.493 1.628 1.00 0.00 H new ATOM 0 HA SER A 51 3.155 40.711 3.508 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.714 41.097 1.048 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.711 39.660 1.028 1.00 0.00 H new ATOM 0 HG SER A 51 0.465 41.594 1.401 1.00 0.00 H new ATOM 795 N GLU A 52 1.190 39.376 4.519 1.00 0.00 N ATOM 796 CA GLU A 52 0.319 38.452 5.298 1.00 0.00 C ATOM 797 C GLU A 52 -1.149 38.793 5.035 1.00 0.00 C ATOM 798 O GLU A 52 -2.020 38.481 5.821 1.00 0.00 O ATOM 799 CB GLU A 52 0.620 38.605 6.790 1.00 0.00 C ATOM 800 CG GLU A 52 2.134 38.606 7.008 1.00 0.00 C ATOM 801 CD GLU A 52 2.438 38.948 8.468 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.541 39.422 9.145 1.00 0.00 O ATOM 803 OE2 GLU A 52 3.564 38.729 8.885 1.00 0.00 O ATOM 0 H GLU A 52 1.098 40.364 4.757 1.00 0.00 H new ATOM 0 HA GLU A 52 0.513 37.424 4.992 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.187 39.532 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.162 37.790 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.549 37.630 6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.607 39.332 6.347 1.00 0.00 H new ATOM 810 N GLU A 53 -1.430 39.435 3.933 1.00 0.00 N ATOM 811 CA GLU A 53 -2.842 39.797 3.621 1.00 0.00 C ATOM 812 C GLU A 53 -3.200 39.299 2.220 1.00 0.00 C ATOM 813 O GLU A 53 -3.179 40.044 1.260 1.00 0.00 O ATOM 814 CB GLU A 53 -3.005 41.317 3.681 1.00 0.00 C ATOM 815 CG GLU A 53 -2.902 41.783 5.134 1.00 0.00 C ATOM 816 CD GLU A 53 -3.365 43.238 5.238 1.00 0.00 C ATOM 817 OE1 GLU A 53 -3.690 43.811 4.211 1.00 0.00 O ATOM 818 OE2 GLU A 53 -3.387 43.755 6.343 1.00 0.00 O ATOM 0 H GLU A 53 -0.743 39.724 3.236 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.505 39.332 4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.237 41.800 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.969 41.607 3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.515 41.149 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.874 41.692 5.484 1.00 0.00 H new ATOM 825 N TRP A 54 -3.530 38.044 2.095 1.00 0.00 N ATOM 826 CA TRP A 54 -3.892 37.493 0.758 1.00 0.00 C ATOM 827 C TRP A 54 -4.807 38.477 0.025 1.00 0.00 C ATOM 828 O TRP A 54 -5.724 39.033 0.595 1.00 0.00 O ATOM 829 CB TRP A 54 -4.621 36.161 0.938 1.00 0.00 C ATOM 830 CG TRP A 54 -3.627 35.085 1.238 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.041 34.882 2.440 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.094 34.067 0.343 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.182 33.801 2.340 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.180 33.266 1.067 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.314 33.764 -1.012 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.507 32.201 0.467 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.638 32.694 -1.620 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.737 31.914 -0.881 1.00 0.00 C ATOM 0 H TRP A 54 -3.565 37.374 2.863 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.985 37.339 0.174 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.346 36.238 1.749 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.178 35.914 0.034 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.215 35.467 3.331 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.619 33.443 3.112 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.007 34.358 -1.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.814 31.603 1.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.813 32.471 -2.662 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.221 31.091 -1.354 1.00 0.00 H new ATOM 849 N GLU A 55 -4.562 38.693 -1.240 1.00 0.00 N ATOM 850 CA GLU A 55 -5.413 39.639 -2.017 1.00 0.00 C ATOM 851 C GLU A 55 -6.351 38.844 -2.929 1.00 0.00 C ATOM 852 O GLU A 55 -5.960 37.867 -3.536 1.00 0.00 O ATOM 853 CB GLU A 55 -4.522 40.548 -2.866 1.00 0.00 C ATOM 854 CG GLU A 55 -5.398 41.460 -3.727 1.00 0.00 C ATOM 855 CD GLU A 55 -5.696 42.752 -2.962 1.00 0.00 C ATOM 856 OE1 GLU A 55 -4.876 43.137 -2.145 1.00 0.00 O ATOM 857 OE2 GLU A 55 -6.741 43.333 -3.205 1.00 0.00 O ATOM 0 H GLU A 55 -3.808 38.254 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.002 40.249 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.877 41.147 -2.223 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.870 39.947 -3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.892 41.689 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.329 40.953 -3.982 1.00 0.00 H new ATOM 864 N PRO A 56 -7.616 39.278 -3.021 1.00 0.00 N ATOM 865 CA PRO A 56 -8.623 38.612 -3.856 1.00 0.00 C ATOM 866 C PRO A 56 -8.371 38.834 -5.351 1.00 0.00 C ATOM 867 O PRO A 56 -7.879 39.866 -5.761 1.00 0.00 O ATOM 868 CB PRO A 56 -9.931 39.289 -3.445 1.00 0.00 C ATOM 869 CG PRO A 56 -9.520 40.629 -2.934 1.00 0.00 C ATOM 870 CD PRO A 56 -8.161 40.452 -2.316 1.00 0.00 C ATOM 0 HA PRO A 56 -8.618 37.531 -3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.613 39.380 -4.291 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.450 38.715 -2.678 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.486 41.359 -3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.235 41.000 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.536 41.333 -2.460 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.227 40.281 -1.242 1.00 0.00 H new ATOM 878 N LEU A 57 -8.714 37.876 -6.168 1.00 0.00 N ATOM 879 CA LEU A 57 -8.504 38.031 -7.636 1.00 0.00 C ATOM 880 C LEU A 57 -9.864 38.141 -8.323 1.00 0.00 C ATOM 881 O LEU A 57 -10.863 37.673 -7.812 1.00 0.00 O ATOM 882 CB LEU A 57 -7.769 36.803 -8.179 1.00 0.00 C ATOM 883 CG LEU A 57 -6.294 36.868 -7.782 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.157 36.591 -6.285 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.508 35.817 -8.570 1.00 0.00 C ATOM 0 H LEU A 57 -9.132 36.991 -5.882 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.913 38.926 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.222 35.893 -7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.862 36.762 -9.264 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.900 37.860 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.106 36.637 -6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.718 37.339 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.550 35.599 -6.061 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.456 35.862 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.901 34.825 -8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.606 36.014 -9.638 1.00 0.00 H new ATOM 897 N THR A 58 -9.924 38.743 -9.478 1.00 0.00 N ATOM 898 CA THR A 58 -11.235 38.853 -10.175 1.00 0.00 C ATOM 899 C THR A 58 -11.225 37.945 -11.404 1.00 0.00 C ATOM 900 O THR A 58 -10.331 38.011 -12.227 1.00 0.00 O ATOM 901 CB THR A 58 -11.477 40.304 -10.603 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.294 41.162 -9.487 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.903 40.449 -11.134 1.00 0.00 C ATOM 0 H THR A 58 -9.131 39.160 -9.965 1.00 0.00 H new ATOM 0 HA THR A 58 -12.034 38.547 -9.500 1.00 0.00 H new ATOM 0 HB THR A 58 -10.771 40.575 -11.388 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.447 42.091 -9.760 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.075 41.481 -11.438 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.041 39.790 -11.991 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.612 40.179 -10.351 1.00 0.00 H new ATOM 911 N LYS A 59 -12.201 37.089 -11.535 1.00 0.00 N ATOM 912 CA LYS A 59 -12.229 36.176 -12.711 1.00 0.00 C ATOM 913 C LYS A 59 -12.574 36.978 -13.967 1.00 0.00 C ATOM 914 O LYS A 59 -13.683 37.448 -14.124 1.00 0.00 O ATOM 915 CB LYS A 59 -13.288 35.093 -12.489 1.00 0.00 C ATOM 916 CG LYS A 59 -13.025 33.921 -13.436 1.00 0.00 C ATOM 917 CD LYS A 59 -13.967 32.766 -13.093 1.00 0.00 C ATOM 918 CE LYS A 59 -13.488 31.493 -13.794 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.003 31.472 -15.192 1.00 0.00 N ATOM 0 H LYS A 59 -12.977 36.983 -10.881 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.252 35.708 -12.835 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.263 34.751 -11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.283 35.501 -12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.177 34.233 -14.469 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.988 33.596 -13.350 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.993 32.612 -12.014 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.983 33.006 -13.406 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.399 31.454 -13.796 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.838 30.614 -13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.239 31.191 -15.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.785 30.790 -15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.345 32.420 -15.450 1.00 0.00 H new ATOM 933 N LYS A 60 -11.641 37.149 -14.866 1.00 0.00 N ATOM 934 CA LYS A 60 -11.946 37.932 -16.096 1.00 0.00 C ATOM 935 C LYS A 60 -11.751 37.051 -17.334 1.00 0.00 C ATOM 936 O LYS A 60 -10.828 36.268 -17.409 1.00 0.00 O ATOM 937 CB LYS A 60 -11.009 39.137 -16.178 1.00 0.00 C ATOM 938 CG LYS A 60 -11.236 40.044 -14.967 1.00 0.00 C ATOM 939 CD LYS A 60 -10.961 41.497 -15.361 1.00 0.00 C ATOM 940 CE LYS A 60 -11.431 42.428 -14.242 1.00 0.00 C ATOM 941 NZ LYS A 60 -10.472 43.560 -14.104 1.00 0.00 N ATOM 0 H LYS A 60 -10.691 36.784 -14.802 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.980 38.274 -16.057 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.972 38.803 -16.206 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.191 39.690 -17.099 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.260 39.941 -14.608 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.580 39.747 -14.149 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.896 41.640 -15.544 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.479 41.737 -16.290 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.428 42.807 -14.464 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.501 41.879 -13.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.790 44.194 -13.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.528 43.189 -13.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.427 44.088 -14.999 1.00 0.00 H new ATOM 955 N GLY A 61 -12.604 37.183 -18.310 1.00 0.00 N ATOM 956 CA GLY A 61 -12.457 36.360 -19.546 1.00 0.00 C ATOM 957 C GLY A 61 -12.101 34.914 -19.182 1.00 0.00 C ATOM 958 O GLY A 61 -11.426 34.231 -19.925 1.00 0.00 O ATOM 0 H GLY A 61 -13.397 37.824 -18.307 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.385 36.381 -20.117 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.681 36.784 -20.183 1.00 0.00 H new ATOM 962 N ASN A 62 -12.559 34.441 -18.055 1.00 0.00 N ATOM 963 CA ASN A 62 -12.260 33.033 -17.651 1.00 0.00 C ATOM 964 C ASN A 62 -10.869 32.945 -17.014 1.00 0.00 C ATOM 965 O ASN A 62 -10.316 31.874 -16.861 1.00 0.00 O ATOM 966 CB ASN A 62 -12.314 32.124 -18.881 1.00 0.00 C ATOM 967 CG ASN A 62 -13.474 32.552 -19.782 1.00 0.00 C ATOM 968 OD1 ASN A 62 -14.307 33.343 -19.385 1.00 0.00 O ATOM 969 ND2 ASN A 62 -13.565 32.059 -20.987 1.00 0.00 N ATOM 0 H ASN A 62 -13.129 34.968 -17.394 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.004 32.712 -16.922 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.374 32.180 -19.429 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.442 31.086 -18.574 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.335 32.338 -21.595 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.866 31.395 -21.321 1.00 0.00 H new ATOM 976 N VAL A 63 -10.302 34.055 -16.628 1.00 0.00 N ATOM 977 CA VAL A 63 -8.955 34.019 -15.988 1.00 0.00 C ATOM 978 C VAL A 63 -9.003 34.826 -14.692 1.00 0.00 C ATOM 979 O VAL A 63 -9.987 35.469 -14.394 1.00 0.00 O ATOM 980 CB VAL A 63 -7.913 34.628 -16.931 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.805 33.774 -18.194 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.329 36.051 -17.308 1.00 0.00 C ATOM 0 H VAL A 63 -10.712 34.984 -16.727 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.679 32.986 -15.775 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.946 34.657 -16.429 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.063 34.208 -18.864 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.502 32.762 -17.924 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.772 33.742 -18.695 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.586 36.482 -17.979 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.298 36.027 -17.807 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.400 36.660 -16.407 1.00 0.00 H new ATOM 992 N TRP A 64 -7.955 34.808 -13.916 1.00 0.00 N ATOM 993 CA TRP A 64 -7.971 35.587 -12.647 1.00 0.00 C ATOM 994 C TRP A 64 -6.863 36.638 -12.675 1.00 0.00 C ATOM 995 O TRP A 64 -5.699 36.326 -12.843 1.00 0.00 O ATOM 996 CB TRP A 64 -7.758 34.648 -11.461 1.00 0.00 C ATOM 997 CG TRP A 64 -8.958 33.772 -11.302 1.00 0.00 C ATOM 998 CD1 TRP A 64 -9.230 32.684 -12.058 1.00 0.00 C ATOM 999 CD2 TRP A 64 -10.055 33.891 -10.348 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.420 32.126 -11.630 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.967 32.834 -10.579 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.343 34.802 -9.317 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -12.125 32.687 -9.814 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.508 34.658 -8.545 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.397 33.602 -8.793 1.00 0.00 C ATOM 0 H TRP A 64 -7.095 34.292 -14.103 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.936 36.083 -12.543 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.868 34.039 -11.620 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.592 35.225 -10.551 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.617 32.312 -12.865 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.842 31.293 -12.041 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.664 35.618 -9.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.806 31.872 -10.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.720 35.364 -7.756 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.291 33.496 -8.196 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.217 37.882 -12.515 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.186 38.954 -12.533 1.00 0.00 C ATOM 1018 C GLU A 65 -6.130 39.632 -11.163 1.00 0.00 C ATOM 1019 O GLU A 65 -7.096 39.651 -10.426 1.00 0.00 O ATOM 1020 CB GLU A 65 -6.541 39.990 -13.602 1.00 0.00 C ATOM 1021 CG GLU A 65 -7.314 39.312 -14.736 1.00 0.00 C ATOM 1022 CD GLU A 65 -7.464 40.288 -15.905 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -7.664 41.464 -15.647 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -7.377 39.843 -17.037 1.00 0.00 O ATOM 0 H GLU A 65 -8.175 38.202 -12.373 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.214 38.517 -12.762 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.142 40.788 -13.165 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.634 40.451 -13.992 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.789 38.414 -15.063 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.296 38.996 -14.383 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.001 40.189 -10.821 1.00 0.00 N ATOM 1032 CA VAL A 66 -4.871 40.869 -9.501 1.00 0.00 C ATOM 1033 C VAL A 66 -4.081 42.167 -9.673 1.00 0.00 C ATOM 1034 O VAL A 66 -3.068 42.203 -10.342 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.131 39.956 -8.524 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.835 39.460 -9.172 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -3.797 40.734 -7.249 1.00 0.00 C ATOM 0 H VAL A 66 -4.161 40.203 -11.400 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.864 41.092 -9.111 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.763 39.104 -8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.306 38.809 -8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.071 38.905 -10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.204 40.313 -9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.269 40.082 -6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.165 41.586 -7.498 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.719 41.088 -6.787 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.533 43.233 -9.071 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.798 44.523 -9.201 1.00 0.00 C ATOM 1049 C LYS A 67 -3.356 45.000 -7.816 1.00 0.00 C ATOM 1050 O LYS A 67 -4.129 45.029 -6.879 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.706 45.575 -9.841 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.384 44.980 -11.079 1.00 0.00 C ATOM 1053 CD LYS A 67 -6.270 46.043 -11.733 1.00 0.00 C ATOM 1054 CE LYS A 67 -7.128 45.393 -12.820 1.00 0.00 C ATOM 1055 NZ LYS A 67 -6.335 45.281 -14.076 1.00 0.00 N ATOM 0 H LYS A 67 -5.376 43.267 -8.497 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.921 44.376 -9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.458 45.906 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.123 46.453 -10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.632 44.632 -11.787 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.983 44.114 -10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.907 46.512 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.653 46.831 -12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.458 44.406 -12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.025 45.988 -12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.917 44.839 -14.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.041 46.229 -14.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.492 44.696 -13.904 1.00 0.00 H new ATOM 1069 N SER A 68 -2.112 45.369 -7.684 1.00 0.00 N ATOM 1070 CA SER A 68 -1.600 45.841 -6.368 1.00 0.00 C ATOM 1071 C SER A 68 -1.127 47.288 -6.501 1.00 0.00 C ATOM 1072 O SER A 68 -0.856 47.764 -7.586 1.00 0.00 O ATOM 1073 CB SER A 68 -0.422 44.962 -5.943 1.00 0.00 C ATOM 1074 OG SER A 68 -0.148 45.174 -4.566 1.00 0.00 O ATOM 0 H SER A 68 -1.424 45.364 -8.437 1.00 0.00 H new ATOM 0 HA SER A 68 -2.392 45.781 -5.622 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.654 43.912 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.458 45.200 -6.541 1.00 0.00 H new ATOM 0 HG SER A 68 0.809 45.348 -4.446 1.00 0.00 H new ATOM 1080 N SER A 69 -1.018 47.992 -5.410 1.00 0.00 N ATOM 1081 CA SER A 69 -0.554 49.403 -5.485 1.00 0.00 C ATOM 1082 C SER A 69 0.971 49.424 -5.607 1.00 0.00 C ATOM 1083 O SER A 69 1.567 50.430 -5.933 1.00 0.00 O ATOM 1084 CB SER A 69 -0.979 50.152 -4.220 1.00 0.00 C ATOM 1085 OG SER A 69 -2.396 50.211 -4.159 1.00 0.00 O ATOM 0 H SER A 69 -1.230 47.652 -4.472 1.00 0.00 H new ATOM 0 HA SER A 69 -0.998 49.889 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.587 49.648 -3.337 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.562 51.159 -4.223 1.00 0.00 H new ATOM 0 HG SER A 69 -2.669 50.689 -3.348 1.00 0.00 H new ATOM 1091 N LYS A 70 1.605 48.312 -5.348 1.00 0.00 N ATOM 1092 CA LYS A 70 3.090 48.254 -5.450 1.00 0.00 C ATOM 1093 C LYS A 70 3.481 47.132 -6.418 1.00 0.00 C ATOM 1094 O LYS A 70 2.637 46.423 -6.926 1.00 0.00 O ATOM 1095 CB LYS A 70 3.682 47.971 -4.067 1.00 0.00 C ATOM 1096 CG LYS A 70 4.402 49.220 -3.557 1.00 0.00 C ATOM 1097 CD LYS A 70 4.264 49.305 -2.035 1.00 0.00 C ATOM 1098 CE LYS A 70 5.310 50.276 -1.482 1.00 0.00 C ATOM 1099 NZ LYS A 70 4.630 51.498 -0.968 1.00 0.00 N ATOM 0 H LYS A 70 1.156 47.439 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 70 3.475 49.205 -5.819 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.892 47.684 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.378 47.134 -4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.455 49.184 -3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.979 50.111 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.262 49.642 -1.768 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.397 48.318 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.878 49.799 -0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.022 50.544 -2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.340 52.158 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.107 51.956 -1.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.968 51.234 -0.211 1.00 0.00 H new ATOM 1113 N PRO A 71 4.788 46.972 -6.677 1.00 0.00 N ATOM 1114 CA PRO A 71 5.289 45.935 -7.589 1.00 0.00 C ATOM 1115 C PRO A 71 5.111 44.531 -7.002 1.00 0.00 C ATOM 1116 O PRO A 71 5.328 44.306 -5.827 1.00 0.00 O ATOM 1117 CB PRO A 71 6.774 46.265 -7.728 1.00 0.00 C ATOM 1118 CG PRO A 71 7.112 47.008 -6.480 1.00 0.00 C ATOM 1119 CD PRO A 71 5.879 47.783 -6.107 1.00 0.00 C ATOM 0 HA PRO A 71 4.754 45.929 -8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.374 45.360 -7.826 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.964 46.871 -8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.396 46.321 -5.683 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.958 47.676 -6.642 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.781 47.888 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.894 48.789 -6.525 1.00 0.00 H new ATOM 1127 N LEU A 72 4.713 43.588 -7.811 1.00 0.00 N ATOM 1128 CA LEU A 72 4.514 42.201 -7.304 1.00 0.00 C ATOM 1129 C LEU A 72 5.866 41.572 -6.968 1.00 0.00 C ATOM 1130 O LEU A 72 6.841 41.750 -7.671 1.00 0.00 O ATOM 1131 CB LEU A 72 3.814 41.363 -8.377 1.00 0.00 C ATOM 1132 CG LEU A 72 2.525 42.062 -8.810 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.084 41.519 -10.171 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.429 41.798 -7.776 1.00 0.00 C ATOM 0 H LEU A 72 4.517 43.719 -8.803 1.00 0.00 H new ATOM 0 HA LEU A 72 3.900 42.232 -6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.473 41.228 -9.235 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.589 40.370 -7.988 1.00 0.00 H new ATOM 0 HG LEU A 72 2.701 43.135 -8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.165 42.017 -10.481 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.865 41.707 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.908 40.446 -10.095 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.510 42.296 -8.085 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.252 40.725 -7.699 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.743 42.184 -6.806 1.00 0.00 H new ATOM 1146 N VAL A 73 5.928 40.835 -5.893 1.00 0.00 N ATOM 1147 CA VAL A 73 7.209 40.187 -5.500 1.00 0.00 C ATOM 1148 C VAL A 73 7.005 38.671 -5.426 1.00 0.00 C ATOM 1149 O VAL A 73 6.134 38.186 -4.732 1.00 0.00 O ATOM 1150 CB VAL A 73 7.645 40.711 -4.129 1.00 0.00 C ATOM 1151 CG1 VAL A 73 8.983 40.078 -3.744 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.801 42.232 -4.192 1.00 0.00 C ATOM 0 H VAL A 73 5.143 40.654 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 73 7.978 40.417 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 73 6.892 40.452 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.294 40.450 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.874 38.994 -3.701 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.736 40.337 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.111 42.607 -3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.554 42.490 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.848 42.684 -4.468 1.00 0.00 H new ATOM 1162 N GLY A 74 7.801 37.922 -6.137 1.00 0.00 N ATOM 1163 CA GLY A 74 7.652 36.438 -6.109 1.00 0.00 C ATOM 1164 C GLY A 74 8.607 35.849 -5.068 1.00 0.00 C ATOM 1165 O GLY A 74 9.477 36.526 -4.560 1.00 0.00 O ATOM 0 H GLY A 74 8.548 38.272 -6.736 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.623 36.170 -5.868 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.868 36.021 -7.093 1.00 0.00 H new ATOM 1169 N PRO A 75 8.436 34.556 -4.748 1.00 0.00 N ATOM 1170 CA PRO A 75 7.390 33.719 -5.349 1.00 0.00 C ATOM 1171 C PRO A 75 5.989 34.136 -4.894 1.00 0.00 C ATOM 1172 O PRO A 75 5.787 34.580 -3.782 1.00 0.00 O ATOM 1173 CB PRO A 75 7.719 32.316 -4.844 1.00 0.00 C ATOM 1174 CG PRO A 75 8.473 32.540 -3.578 1.00 0.00 C ATOM 1175 CD PRO A 75 9.249 33.813 -3.771 1.00 0.00 C ATOM 0 HA PRO A 75 7.377 33.799 -6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.813 31.735 -4.669 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.317 31.764 -5.569 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.793 32.623 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.141 31.704 -3.370 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.359 34.363 -2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.254 33.619 -4.147 1.00 0.00 H new ATOM 1183 N PHE A 76 5.022 34.008 -5.760 1.00 0.00 N ATOM 1184 CA PHE A 76 3.631 34.407 -5.407 1.00 0.00 C ATOM 1185 C PHE A 76 2.866 33.217 -4.823 1.00 0.00 C ATOM 1186 O PHE A 76 3.082 32.080 -5.199 1.00 0.00 O ATOM 1187 CB PHE A 76 2.921 34.886 -6.674 1.00 0.00 C ATOM 1188 CG PHE A 76 3.660 36.075 -7.237 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.642 37.296 -6.554 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.366 35.956 -8.440 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.330 38.399 -7.073 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.054 37.059 -8.960 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.036 38.280 -8.276 1.00 0.00 C ATOM 0 H PHE A 76 5.137 33.641 -6.705 1.00 0.00 H new ATOM 0 HA PHE A 76 3.664 35.203 -4.663 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.885 34.083 -7.410 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.890 35.157 -6.447 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.097 37.387 -5.626 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.380 35.013 -8.967 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.316 39.341 -6.546 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.598 36.968 -9.888 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.567 39.131 -8.677 1.00 0.00 H new ATOM 1203 N ASN A 77 1.961 33.474 -3.918 1.00 0.00 N ATOM 1204 CA ASN A 77 1.165 32.364 -3.322 1.00 0.00 C ATOM 1205 C ASN A 77 -0.271 32.443 -3.851 1.00 0.00 C ATOM 1206 O ASN A 77 -0.812 33.514 -4.039 1.00 0.00 O ATOM 1207 CB ASN A 77 1.157 32.502 -1.798 1.00 0.00 C ATOM 1208 CG ASN A 77 2.589 32.698 -1.297 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.382 31.778 -1.309 1.00 0.00 O ATOM 1210 ND2 ASN A 77 2.956 33.871 -0.854 1.00 0.00 N ATOM 0 H ASN A 77 1.739 34.405 -3.566 1.00 0.00 H new ATOM 0 HA ASN A 77 1.607 31.405 -3.593 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.538 33.349 -1.502 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.720 31.613 -1.344 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.908 34.014 -0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.290 34.644 -0.844 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.893 31.322 -4.098 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.291 31.349 -4.620 1.00 0.00 C ATOM 1219 C PHE A 78 -3.154 30.344 -3.845 1.00 0.00 C ATOM 1220 O PHE A 78 -2.867 29.165 -3.813 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.291 30.967 -6.103 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.609 32.043 -6.917 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.215 32.043 -7.054 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.371 33.036 -7.546 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.416 33.034 -7.817 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.742 34.025 -8.312 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.347 34.025 -8.448 1.00 0.00 C ATOM 0 H PHE A 78 -0.496 30.392 -3.962 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.698 32.352 -4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.778 30.015 -6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.315 30.831 -6.451 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.374 31.278 -6.571 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.446 33.039 -7.440 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.491 33.034 -7.919 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.332 34.788 -8.798 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.139 34.788 -9.038 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.217 30.798 -3.230 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.096 29.857 -2.474 1.00 0.00 C ATOM 1239 C ARG A 79 -6.388 29.638 -3.267 1.00 0.00 C ATOM 1240 O ARG A 79 -6.877 30.529 -3.933 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.422 30.440 -1.097 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.384 29.505 -0.362 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.553 29.981 1.083 1.00 0.00 C ATOM 1244 NE ARG A 79 -7.249 31.299 1.093 1.00 0.00 N ATOM 1245 CZ ARG A 79 -7.323 31.989 2.197 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -6.374 32.830 2.506 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -8.346 31.839 2.993 1.00 0.00 N ATOM 0 H ARG A 79 -4.512 31.774 -3.219 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.583 28.905 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.507 30.566 -0.518 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.870 31.428 -1.205 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.350 29.490 -0.867 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.000 28.485 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.127 29.250 1.653 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.579 30.068 1.565 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.667 31.661 0.236 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.574 32.948 1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.432 33.370 3.370 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.088 31.182 2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.404 32.379 3.857 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.925 28.447 -3.233 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.161 28.165 -4.020 1.00 0.00 C ATOM 1263 C PHE A 80 -9.279 27.617 -3.131 1.00 0.00 C ATOM 1264 O PHE A 80 -9.050 26.832 -2.235 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.838 27.104 -5.067 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.212 27.756 -6.274 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -6.032 28.494 -6.134 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.809 27.620 -7.531 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.449 29.098 -7.253 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.225 28.222 -8.651 1.00 0.00 C ATOM 1271 CZ PHE A 80 -6.044 28.961 -8.510 1.00 0.00 C ATOM 0 H PHE A 80 -6.562 27.659 -2.696 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.495 29.098 -4.475 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.158 26.362 -4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.747 26.577 -5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.571 28.597 -5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.720 27.051 -7.637 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.539 29.670 -7.145 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.684 28.117 -9.623 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.592 29.426 -9.374 1.00 0.00 H new ATOM 1281 N MET A 81 -10.498 28.002 -3.402 1.00 0.00 N ATOM 1282 CA MET A 81 -11.643 27.479 -2.605 1.00 0.00 C ATOM 1283 C MET A 81 -12.659 26.860 -3.572 1.00 0.00 C ATOM 1284 O MET A 81 -13.097 27.489 -4.515 1.00 0.00 O ATOM 1285 CB MET A 81 -12.293 28.608 -1.803 1.00 0.00 C ATOM 1286 CG MET A 81 -13.620 28.118 -1.217 1.00 0.00 C ATOM 1287 SD MET A 81 -13.998 29.056 0.283 1.00 0.00 S ATOM 1288 CE MET A 81 -14.684 27.683 1.242 1.00 0.00 C ATOM 0 H MET A 81 -10.749 28.657 -4.142 1.00 0.00 H new ATOM 0 HA MET A 81 -11.292 26.726 -1.900 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.627 28.931 -1.003 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.463 29.473 -2.444 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.420 28.241 -1.947 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.558 27.054 -0.988 1.00 0.00 H new ATOM 0 HE1 MET A 81 -14.377 27.778 2.284 1.00 0.00 H new ATOM 0 HE2 MET A 81 -15.772 27.704 1.181 1.00 0.00 H new ATOM 0 HE3 MET A 81 -14.316 26.739 0.840 1.00 0.00 H new ATOM 1298 N SER A 82 -13.009 25.618 -3.362 1.00 0.00 N ATOM 1299 CA SER A 82 -13.963 24.939 -4.284 1.00 0.00 C ATOM 1300 C SER A 82 -15.384 25.459 -4.064 1.00 0.00 C ATOM 1301 O SER A 82 -15.785 25.736 -2.948 1.00 0.00 O ATOM 1302 CB SER A 82 -13.941 23.437 -4.006 1.00 0.00 C ATOM 1303 OG SER A 82 -14.745 23.159 -2.869 1.00 0.00 O ATOM 0 H SER A 82 -12.673 25.044 -2.589 1.00 0.00 H new ATOM 0 HA SER A 82 -13.664 25.143 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.314 22.890 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.918 23.102 -3.833 1.00 0.00 H new ATOM 0 HG SER A 82 -15.584 22.741 -3.156 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.157 25.566 -5.111 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.562 26.043 -4.956 1.00 0.00 C ATOM 1311 C LYS A 83 -18.220 25.290 -3.796 1.00 0.00 C ATOM 1312 O LYS A 83 -18.884 25.872 -2.960 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.343 25.770 -6.244 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.837 26.691 -7.357 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.690 26.486 -8.611 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.297 27.519 -9.669 1.00 0.00 C ATOM 1317 NZ LYS A 83 -19.056 28.781 -9.437 1.00 0.00 N ATOM 0 H LYS A 83 -15.877 25.344 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.564 27.114 -4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.224 24.727 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.408 25.935 -6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.888 27.731 -7.035 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.791 26.475 -7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.547 25.478 -9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.747 26.586 -8.365 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.225 27.713 -9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.509 27.133 -10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -18.789 29.484 -10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.076 28.589 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -18.833 29.152 -8.491 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.039 23.997 -3.741 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.650 23.195 -2.641 1.00 0.00 C ATOM 1333 C GLY A 84 -18.178 23.721 -1.280 1.00 0.00 C ATOM 1334 O GLY A 84 -18.630 23.277 -0.244 1.00 0.00 O ATOM 0 H GLY A 84 -17.492 23.460 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.737 23.248 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.375 22.146 -2.749 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.281 24.669 -1.273 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.797 25.224 0.021 1.00 0.00 C ATOM 1340 C GLY A 85 -15.490 24.541 0.427 1.00 0.00 C ATOM 1341 O GLY A 85 -15.140 24.496 1.590 1.00 0.00 O ATOM 0 H GLY A 85 -16.863 25.082 -2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.642 26.299 -0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.550 25.075 0.795 1.00 0.00 H new ATOM 1345 N MET A 86 -14.756 24.020 -0.517 1.00 0.00 N ATOM 1346 CA MET A 86 -13.465 23.358 -0.166 1.00 0.00 C ATOM 1347 C MET A 86 -12.336 24.367 -0.356 1.00 0.00 C ATOM 1348 O MET A 86 -12.412 25.232 -1.199 1.00 0.00 O ATOM 1349 CB MET A 86 -13.231 22.147 -1.074 1.00 0.00 C ATOM 1350 CG MET A 86 -14.495 21.284 -1.111 1.00 0.00 C ATOM 1351 SD MET A 86 -14.183 19.723 -0.249 1.00 0.00 S ATOM 1352 CE MET A 86 -13.602 18.786 -1.684 1.00 0.00 C ATOM 0 H MET A 86 -14.991 24.023 -1.510 1.00 0.00 H new ATOM 0 HA MET A 86 -13.495 23.017 0.869 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.974 22.478 -2.080 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.389 21.561 -0.707 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.324 21.813 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 86 -14.786 21.090 -2.143 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.983 17.954 -1.349 1.00 0.00 H new ATOM 0 HE2 MET A 86 -14.458 18.401 -2.238 1.00 0.00 H new ATOM 0 HE3 MET A 86 -13.015 19.438 -2.331 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.299 24.293 0.429 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.199 25.286 0.276 1.00 0.00 C ATOM 1364 C ARG A 87 -8.864 24.583 0.023 1.00 0.00 C ATOM 1365 O ARG A 87 -8.535 23.595 0.650 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.093 26.120 1.553 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.321 27.025 1.675 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.111 28.015 2.822 1.00 0.00 C ATOM 1369 NE ARG A 87 -10.753 27.271 4.062 1.00 0.00 N ATOM 1370 CZ ARG A 87 -11.460 27.432 5.147 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -12.764 27.409 5.086 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -10.863 27.618 6.293 1.00 0.00 N ATOM 0 H ARG A 87 -11.165 23.597 1.162 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.424 25.927 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.022 25.466 2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.185 26.722 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.484 27.563 0.741 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.212 26.425 1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.320 28.720 2.567 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.018 28.598 2.984 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.955 26.636 4.063 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.230 27.265 4.190 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.317 27.535 5.934 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.844 27.637 6.340 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.415 27.744 7.141 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.080 25.112 -0.878 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.748 24.516 -1.168 1.00 0.00 C ATOM 1388 C ASN A 88 -5.730 25.654 -1.244 1.00 0.00 C ATOM 1389 O ASN A 88 -6.014 26.713 -1.766 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.790 23.760 -2.498 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.786 22.604 -2.396 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.943 22.753 -2.735 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.382 21.449 -1.942 1.00 0.00 N ATOM 0 H ASN A 88 -8.310 25.939 -1.429 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.470 23.811 -0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.081 24.435 -3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.799 23.379 -2.744 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.038 20.671 -1.872 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.410 21.324 -1.658 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.554 25.463 -0.715 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.546 26.558 -0.751 1.00 0.00 C ATOM 1402 C VAL A 89 -2.268 26.085 -1.442 1.00 0.00 C ATOM 1403 O VAL A 89 -1.789 24.993 -1.209 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.216 26.988 0.680 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.486 28.333 0.655 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.512 27.128 1.482 1.00 0.00 C ATOM 0 H VAL A 89 -4.249 24.602 -0.262 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.959 27.399 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.578 26.237 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.251 28.639 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.563 28.235 0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.123 29.084 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.278 27.434 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.150 27.879 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.033 26.171 1.501 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.705 26.910 -2.282 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.447 26.526 -2.980 1.00 0.00 C ATOM 1418 C PHE A 90 0.609 27.597 -2.716 1.00 0.00 C ATOM 1419 O PHE A 90 0.404 28.763 -2.991 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.696 26.423 -4.485 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.821 25.453 -4.755 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.552 24.084 -4.871 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.131 25.924 -4.896 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -2.594 23.186 -5.129 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.174 25.026 -5.152 1.00 0.00 C ATOM 1426 CZ PHE A 90 -3.906 23.657 -5.268 1.00 0.00 C ATOM 0 H PHE A 90 -2.064 27.836 -2.515 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.105 25.560 -2.609 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.945 27.404 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.211 26.091 -4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.541 23.721 -4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.337 26.980 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.387 22.130 -5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.185 25.389 -5.260 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.711 22.964 -5.465 1.00 0.00 H new ATOM 1436 N ASP A 91 1.735 27.219 -2.181 1.00 0.00 N ATOM 1437 CA ASP A 91 2.794 28.226 -1.898 1.00 0.00 C ATOM 1438 C ASP A 91 3.851 28.191 -3.003 1.00 0.00 C ATOM 1439 O ASP A 91 4.151 27.154 -3.562 1.00 0.00 O ATOM 1440 CB ASP A 91 3.452 27.911 -0.553 1.00 0.00 C ATOM 1441 CG ASP A 91 2.595 28.479 0.580 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.737 29.298 0.295 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.812 28.087 1.715 1.00 0.00 O ATOM 0 H ASP A 91 1.968 26.259 -1.928 1.00 0.00 H new ATOM 0 HA ASP A 91 2.345 29.218 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.563 26.833 -0.434 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.453 28.341 -0.516 1.00 0.00 H new ATOM 1448 N GLU A 92 4.426 29.320 -3.311 1.00 0.00 N ATOM 1449 CA GLU A 92 5.475 29.372 -4.365 1.00 0.00 C ATOM 1450 C GLU A 92 4.963 28.750 -5.668 1.00 0.00 C ATOM 1451 O GLU A 92 5.588 27.869 -6.224 1.00 0.00 O ATOM 1452 CB GLU A 92 6.705 28.597 -3.888 1.00 0.00 C ATOM 1453 CG GLU A 92 7.873 28.855 -4.843 1.00 0.00 C ATOM 1454 CD GLU A 92 9.080 28.020 -4.409 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.930 27.232 -3.490 1.00 0.00 O ATOM 1456 OE2 GLU A 92 10.133 28.184 -5.003 1.00 0.00 O ATOM 0 H GLU A 92 4.212 30.216 -2.873 1.00 0.00 H new ATOM 0 HA GLU A 92 5.734 30.414 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.973 28.905 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.483 27.531 -3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.587 28.598 -5.863 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.131 29.914 -4.842 1.00 0.00 H new ATOM 1463 N VAL A 93 3.845 29.200 -6.173 1.00 0.00 N ATOM 1464 CA VAL A 93 3.330 28.623 -7.448 1.00 0.00 C ATOM 1465 C VAL A 93 4.015 29.323 -8.626 1.00 0.00 C ATOM 1466 O VAL A 93 4.277 28.723 -9.649 1.00 0.00 O ATOM 1467 CB VAL A 93 1.817 28.837 -7.544 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.289 28.162 -8.811 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.131 28.228 -6.319 1.00 0.00 C ATOM 0 H VAL A 93 3.271 29.936 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 93 3.543 27.554 -7.473 1.00 0.00 H new ATOM 0 HB VAL A 93 1.604 29.905 -7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.212 28.313 -8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.775 28.597 -9.684 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.504 27.094 -8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.054 28.382 -6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.343 27.160 -6.277 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.507 28.708 -5.415 1.00 0.00 H new ATOM 1479 N ILE A 94 4.312 30.585 -8.483 1.00 0.00 N ATOM 1480 CA ILE A 94 4.986 31.326 -9.587 1.00 0.00 C ATOM 1481 C ILE A 94 6.109 32.184 -8.999 1.00 0.00 C ATOM 1482 O ILE A 94 5.892 32.975 -8.102 1.00 0.00 O ATOM 1483 CB ILE A 94 3.965 32.218 -10.301 1.00 0.00 C ATOM 1484 CG1 ILE A 94 3.147 31.373 -11.280 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.694 33.324 -11.070 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.783 32.026 -11.506 1.00 0.00 C ATOM 0 H ILE A 94 4.117 31.137 -7.648 1.00 0.00 H new ATOM 0 HA ILE A 94 5.406 30.622 -10.305 1.00 0.00 H new ATOM 0 HB ILE A 94 3.301 32.668 -9.563 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.678 31.280 -12.227 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.018 30.365 -10.886 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.965 33.956 -11.577 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.277 33.928 -10.374 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.360 32.876 -11.807 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.202 31.423 -12.204 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.252 32.096 -10.557 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.922 33.025 -11.919 1.00 0.00 H new ATOM 1498 N PRO A 95 7.338 32.015 -9.511 1.00 0.00 N ATOM 1499 CA PRO A 95 8.504 32.765 -9.030 1.00 0.00 C ATOM 1500 C PRO A 95 8.435 34.246 -9.414 1.00 0.00 C ATOM 1501 O PRO A 95 7.692 34.640 -10.290 1.00 0.00 O ATOM 1502 CB PRO A 95 9.681 32.092 -9.736 1.00 0.00 C ATOM 1503 CG PRO A 95 9.085 31.488 -10.964 1.00 0.00 C ATOM 1504 CD PRO A 95 7.685 31.082 -10.597 1.00 0.00 C ATOM 0 HA PRO A 95 8.577 32.749 -7.943 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.459 32.813 -9.986 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.142 31.333 -9.104 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.079 32.204 -11.786 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.666 30.627 -11.295 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.004 31.177 -11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.640 30.044 -10.266 1.00 0.00 H new ATOM 1512 N THR A 96 9.204 35.068 -8.752 1.00 0.00 N ATOM 1513 CA THR A 96 9.187 36.525 -9.061 1.00 0.00 C ATOM 1514 C THR A 96 9.356 36.742 -10.567 1.00 0.00 C ATOM 1515 O THR A 96 8.646 37.519 -11.171 1.00 0.00 O ATOM 1516 CB THR A 96 10.333 37.216 -8.318 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.295 36.846 -6.946 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.184 38.733 -8.444 1.00 0.00 C ATOM 0 H THR A 96 9.845 34.791 -8.008 1.00 0.00 H new ATOM 0 HA THR A 96 8.234 36.947 -8.742 1.00 0.00 H new ATOM 0 HB THR A 96 11.285 36.910 -8.752 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.375 37.648 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.001 39.224 -7.915 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.212 39.015 -9.496 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.233 39.042 -8.011 1.00 0.00 H new ATOM 1526 N ALA A 97 10.294 36.070 -11.179 1.00 0.00 N ATOM 1527 CA ALA A 97 10.498 36.259 -12.642 1.00 0.00 C ATOM 1528 C ALA A 97 9.665 35.233 -13.414 1.00 0.00 C ATOM 1529 O ALA A 97 10.024 34.075 -13.512 1.00 0.00 O ATOM 1530 CB ALA A 97 11.979 36.078 -12.981 1.00 0.00 C ATOM 0 H ALA A 97 10.923 35.403 -10.732 1.00 0.00 H new ATOM 0 HA ALA A 97 10.183 37.264 -12.923 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.127 36.217 -14.052 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.570 36.814 -12.435 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.297 35.075 -12.698 1.00 0.00 H new ATOM 1536 N PHE A 98 8.557 35.647 -13.963 1.00 0.00 N ATOM 1537 CA PHE A 98 7.702 34.695 -14.729 1.00 0.00 C ATOM 1538 C PHE A 98 7.770 35.038 -16.218 1.00 0.00 C ATOM 1539 O PHE A 98 8.031 36.162 -16.595 1.00 0.00 O ATOM 1540 CB PHE A 98 6.254 34.810 -14.247 1.00 0.00 C ATOM 1541 CG PHE A 98 5.756 36.216 -14.483 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.145 36.547 -15.699 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.906 37.189 -13.487 1.00 0.00 C ATOM 1544 CE1 PHE A 98 4.684 37.852 -15.918 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.444 38.492 -13.706 1.00 0.00 C ATOM 1546 CZ PHE A 98 4.834 38.824 -14.921 1.00 0.00 C ATOM 0 H PHE A 98 8.206 36.603 -13.915 1.00 0.00 H new ATOM 0 HA PHE A 98 8.058 33.677 -14.572 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.625 34.096 -14.778 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.191 34.564 -13.187 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.029 35.797 -16.467 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.378 36.934 -12.550 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.213 38.108 -16.856 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.558 39.242 -12.937 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.479 39.830 -15.090 1.00 0.00 H new ATOM 1556 N SER A 99 7.537 34.075 -17.070 1.00 0.00 N ATOM 1557 CA SER A 99 7.590 34.348 -18.532 1.00 0.00 C ATOM 1558 C SER A 99 6.173 34.330 -19.104 1.00 0.00 C ATOM 1559 O SER A 99 5.226 33.974 -18.431 1.00 0.00 O ATOM 1560 CB SER A 99 8.433 33.274 -19.224 1.00 0.00 C ATOM 1561 OG SER A 99 7.874 31.994 -18.963 1.00 0.00 O ATOM 0 H SER A 99 7.313 33.113 -16.815 1.00 0.00 H new ATOM 0 HA SER A 99 8.040 35.326 -18.702 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.465 33.457 -20.298 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.461 33.315 -18.863 1.00 0.00 H new ATOM 0 HG SER A 99 8.412 31.305 -19.407 1.00 0.00 H new ATOM 1567 N ILE A 100 6.019 34.709 -20.342 1.00 0.00 N ATOM 1568 CA ILE A 100 4.661 34.710 -20.952 1.00 0.00 C ATOM 1569 C ILE A 100 4.544 33.540 -21.930 1.00 0.00 C ATOM 1570 O ILE A 100 5.443 33.273 -22.703 1.00 0.00 O ATOM 1571 CB ILE A 100 4.432 36.027 -21.698 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.565 37.197 -20.721 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.030 36.029 -22.310 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.346 37.230 -19.796 1.00 0.00 C ATOM 0 H ILE A 100 6.773 35.017 -20.956 1.00 0.00 H new ATOM 0 HA ILE A 100 3.911 34.607 -20.168 1.00 0.00 H new ATOM 0 HB ILE A 100 5.174 36.130 -22.490 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.478 37.093 -20.134 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.644 38.136 -21.269 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.866 36.967 -22.841 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.936 35.196 -23.007 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.287 35.926 -21.519 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.440 38.063 -19.100 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.441 37.355 -20.391 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.287 36.296 -19.238 1.00 0.00 H new ATOM 1586 N GLY A 101 3.443 32.842 -21.907 1.00 0.00 N ATOM 1587 CA GLY A 101 3.269 31.693 -22.839 1.00 0.00 C ATOM 1588 C GLY A 101 3.714 30.403 -22.150 1.00 0.00 C ATOM 1589 O GLY A 101 3.798 29.358 -22.766 1.00 0.00 O ATOM 0 H GLY A 101 2.656 33.018 -21.283 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.225 31.613 -23.144 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.854 31.854 -23.745 1.00 0.00 H new ATOM 1593 N LYS A 102 3.999 30.461 -20.878 1.00 0.00 N ATOM 1594 CA LYS A 102 4.436 29.229 -20.163 1.00 0.00 C ATOM 1595 C LYS A 102 3.443 28.918 -19.041 1.00 0.00 C ATOM 1596 O LYS A 102 2.917 29.810 -18.405 1.00 0.00 O ATOM 1597 CB LYS A 102 5.827 29.450 -19.569 1.00 0.00 C ATOM 1598 CG LYS A 102 6.478 28.098 -19.275 1.00 0.00 C ATOM 1599 CD LYS A 102 7.461 27.751 -20.395 1.00 0.00 C ATOM 1600 CE LYS A 102 8.282 26.524 -19.992 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.071 26.049 -21.163 1.00 0.00 N ATOM 0 H LYS A 102 3.949 31.304 -20.305 1.00 0.00 H new ATOM 0 HA LYS A 102 4.471 28.393 -20.862 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.444 30.019 -20.264 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.754 30.037 -18.653 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.998 28.133 -18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.714 27.324 -19.194 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.919 27.552 -21.320 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.122 28.596 -20.588 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.949 26.774 -19.167 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.622 25.732 -19.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.629 25.215 -20.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.425 25.795 -21.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.711 26.805 -21.480 1.00 0.00 H new ATOM 1615 N THR A 103 3.177 27.665 -18.789 1.00 0.00 N ATOM 1616 CA THR A 103 2.215 27.324 -17.706 1.00 0.00 C ATOM 1617 C THR A 103 2.916 27.482 -16.355 1.00 0.00 C ATOM 1618 O THR A 103 4.102 27.736 -16.296 1.00 0.00 O ATOM 1619 CB THR A 103 1.747 25.877 -17.873 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.435 25.637 -19.238 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.506 25.637 -17.012 1.00 0.00 C ATOM 0 H THR A 103 3.581 26.869 -19.283 1.00 0.00 H new ATOM 0 HA THR A 103 1.351 27.987 -17.756 1.00 0.00 H new ATOM 0 HB THR A 103 2.540 25.199 -17.557 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.137 24.710 -19.347 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.174 24.606 -17.132 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.748 25.821 -15.965 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.290 26.313 -17.324 1.00 0.00 H new ATOM 1629 N TYR A 104 2.213 27.326 -15.268 1.00 0.00 N ATOM 1630 CA TYR A 104 2.874 27.460 -13.942 1.00 0.00 C ATOM 1631 C TYR A 104 2.025 26.756 -12.885 1.00 0.00 C ATOM 1632 O TYR A 104 1.095 27.319 -12.342 1.00 0.00 O ATOM 1633 CB TYR A 104 3.027 28.940 -13.591 1.00 0.00 C ATOM 1634 CG TYR A 104 4.266 29.474 -14.265 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.528 29.025 -13.859 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.155 30.409 -15.300 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.680 29.513 -14.486 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.308 30.898 -15.928 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.570 30.449 -15.521 1.00 0.00 C ATOM 1640 OH TYR A 104 7.706 30.930 -16.140 1.00 0.00 O ATOM 0 H TYR A 104 1.216 27.113 -15.241 1.00 0.00 H new ATOM 0 HA TYR A 104 3.862 27.002 -13.975 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.149 29.498 -13.918 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.101 29.066 -12.511 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.613 28.302 -13.062 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.181 30.754 -15.615 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.654 29.168 -14.171 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.223 31.621 -16.726 1.00 0.00 H new ATOM 0 HH TYR A 104 7.498 31.167 -17.068 1.00 0.00 H new ATOM 1650 N LYS A 105 2.334 25.523 -12.595 1.00 0.00 N ATOM 1651 CA LYS A 105 1.542 24.772 -11.582 1.00 0.00 C ATOM 1652 C LYS A 105 2.177 24.943 -10.203 1.00 0.00 C ATOM 1653 O LYS A 105 3.358 25.203 -10.079 1.00 0.00 O ATOM 1654 CB LYS A 105 1.518 23.288 -11.950 1.00 0.00 C ATOM 1655 CG LYS A 105 0.859 23.113 -13.319 1.00 0.00 C ATOM 1656 CD LYS A 105 0.531 21.636 -13.543 1.00 0.00 C ATOM 1657 CE LYS A 105 1.821 20.866 -13.833 1.00 0.00 C ATOM 1658 NZ LYS A 105 1.885 20.534 -15.284 1.00 0.00 N ATOM 0 H LYS A 105 3.103 25.002 -13.017 1.00 0.00 H new ATOM 0 HA LYS A 105 0.523 25.159 -11.562 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.533 22.891 -11.970 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.969 22.724 -11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.051 23.711 -13.376 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.525 23.471 -14.104 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.039 21.224 -12.662 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -0.164 21.529 -14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.686 21.464 -13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 105 1.854 19.953 -13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.762 20.011 -15.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.066 19.948 -15.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.872 21.412 -15.842 1.00 0.00 H new ATOM 1672 N PRO A 106 1.369 24.789 -9.146 1.00 0.00 N ATOM 1673 CA PRO A 106 1.837 24.922 -7.763 1.00 0.00 C ATOM 1674 C PRO A 106 2.717 23.739 -7.348 1.00 0.00 C ATOM 1675 O PRO A 106 2.490 23.110 -6.333 1.00 0.00 O ATOM 1676 CB PRO A 106 0.546 24.926 -6.947 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.442 24.195 -7.793 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.069 24.476 -9.221 1.00 0.00 C ATOM 0 HA PRO A 106 2.448 25.813 -7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.685 24.433 -5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.213 25.943 -6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.413 23.125 -7.587 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.457 24.532 -7.583 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.259 23.615 -9.862 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.641 25.310 -9.628 1.00 0.00 H new ATOM 1686 N GLU A 107 3.720 23.433 -8.124 1.00 0.00 N ATOM 1687 CA GLU A 107 4.613 22.292 -7.776 1.00 0.00 C ATOM 1688 C GLU A 107 5.849 22.816 -7.045 1.00 0.00 C ATOM 1689 O GLU A 107 6.196 22.349 -5.978 1.00 0.00 O ATOM 1690 CB GLU A 107 5.043 21.572 -9.054 1.00 0.00 C ATOM 1691 CG GLU A 107 5.653 20.215 -8.695 1.00 0.00 C ATOM 1692 CD GLU A 107 6.211 19.556 -9.958 1.00 0.00 C ATOM 1693 OE1 GLU A 107 6.743 20.274 -10.790 1.00 0.00 O ATOM 1694 OE2 GLU A 107 6.097 18.348 -10.072 1.00 0.00 O ATOM 0 H GLU A 107 3.960 23.924 -8.985 1.00 0.00 H new ATOM 0 HA GLU A 107 4.077 21.596 -7.130 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.185 21.434 -9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.769 22.176 -9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.446 20.344 -7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.898 19.574 -8.241 1.00 0.00 H new ATOM 1701 N GLU A 108 6.520 23.783 -7.609 1.00 0.00 N ATOM 1702 CA GLU A 108 7.734 24.334 -6.944 1.00 0.00 C ATOM 1703 C GLU A 108 7.428 24.611 -5.472 1.00 0.00 C ATOM 1704 O GLU A 108 6.265 24.546 -5.107 1.00 0.00 O ATOM 1705 CB GLU A 108 8.147 25.636 -7.633 1.00 0.00 C ATOM 1706 CG GLU A 108 9.509 26.085 -7.101 1.00 0.00 C ATOM 1707 CD GLU A 108 9.938 27.368 -7.815 1.00 0.00 C ATOM 1708 OE1 GLU A 108 9.093 27.986 -8.439 1.00 0.00 O ATOM 1709 OE2 GLU A 108 11.105 27.712 -7.723 1.00 0.00 O ATOM 1710 OXT GLU A 108 8.360 24.883 -4.733 1.00 0.00 O ATOM 0 H GLU A 108 6.280 24.215 -8.501 1.00 0.00 H new ATOM 0 HA GLU A 108 8.547 23.611 -7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 108 8.197 25.489 -8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 108 7.401 26.409 -7.451 1.00 0.00 H new ATOM 0 HG2 GLU A 108 9.453 26.256 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 108 10.250 25.302 -7.261 1.00 0.00 H new TER 1717 GLU A 108