USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 589 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 NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 117 ASN : amide:sc= 1.05 K(o=2.3,f=-1.5) USER MOD Set 1.2: A 121 SER OG : rot 152:sc= 1.21 USER MOD Set 2.1: A 65 GLN : amide:sc= -0.681 K(o=-4,f=-2.1) USER MOD Set 2.2: A 68 CYS SG : rot 180:sc= -0.835 USER MOD Set 2.3: A 108 HIS : no HD1:sc= -2.47 K(o=-4,f=-2.5!) USER MOD Set 3.1: A 92 SER OG : rot 180:sc= 0.0888! USER MOD Set 3.2: A 96 LYS NZ :NH3+ -114:sc= -0.0593 (180deg=-0.316) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 82 ASN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.2) USER MOD Single : A 91 LYS NZ :NH3+ -161:sc= -0.0311 (180deg=-0.227) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.19) USER MOD Single : A 97 LYS NZ :NH3+ 148:sc= -0.402 (180deg=-1.91!) USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= -0.221 (180deg=-0.809) USER MOD Single : A 104 LYS NZ :NH3+ 156:sc= -0.016 (180deg=-0.376) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot -179:sc= 0.183 USER MOD Single : A 116 LYS NZ :NH3+ 144:sc= -0.279 (180deg=-0.765) USER MOD Single : A 120 GLN : amide:sc= -0.574 K(o=-0.57,f=-2!) USER MOD Single : A 124 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.6!) USER MOD Single : A 127 LYS NZ :NH3+ -141:sc= -0.0317 (180deg=-0.331) USER MOD Single : A 129 LYS NZ :NH3+ 147:sc= -0.228 (180deg=-0.72) USER MOD Single : A 131 SER OG : rot 3:sc= 1.54 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -17.749 -1.299 12.295 1.00 0.00 N ATOM 2 CA SER A 61 -18.144 -1.242 10.867 1.00 0.00 C ATOM 3 C SER A 61 -17.012 -0.712 9.980 1.00 0.00 C ATOM 4 O SER A 61 -17.221 -0.464 8.794 1.00 0.00 O ATOM 5 CB SER A 61 -19.406 -0.391 10.688 1.00 0.00 C ATOM 6 OG SER A 61 -19.126 0.990 10.812 1.00 0.00 O ATOM 0 HA SER A 61 -18.359 -2.263 10.550 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.842 -0.588 9.709 1.00 0.00 H new ATOM 0 HB3 SER A 61 -20.149 -0.680 11.431 1.00 0.00 H new ATOM 0 HG SER A 61 -19.952 1.503 10.691 1.00 0.00 H new ATOM 14 N ASN A 62 -15.819 -0.530 10.548 1.00 0.00 N ATOM 15 CA ASN A 62 -14.667 -0.077 9.767 1.00 0.00 C ATOM 16 C ASN A 62 -13.366 -0.526 10.420 1.00 0.00 C ATOM 17 O ASN A 62 -12.560 0.287 10.874 1.00 0.00 O ATOM 18 CB ASN A 62 -14.658 1.437 9.565 1.00 0.00 C ATOM 19 CG ASN A 62 -13.888 1.824 8.312 1.00 0.00 C ATOM 20 OD1 ASN A 62 -12.669 1.666 8.245 1.00 0.00 O ATOM 21 ND2 ASN A 62 -14.600 2.325 7.309 1.00 0.00 N ATOM 0 H ASN A 62 -15.626 -0.688 11.537 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.753 -0.536 8.782 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -15.682 1.802 9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.209 1.919 10.433 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.138 2.596 6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.609 2.439 7.407 1.00 0.00 H new ATOM 28 N ALA A 63 -13.185 -1.835 10.449 1.00 0.00 N ATOM 29 CA ALA A 63 -12.001 -2.453 11.031 1.00 0.00 C ATOM 30 C ALA A 63 -11.864 -3.895 10.547 1.00 0.00 C ATOM 31 O ALA A 63 -10.755 -4.393 10.358 1.00 0.00 O ATOM 32 CB ALA A 63 -12.055 -2.398 12.551 1.00 0.00 C ATOM 0 H ALA A 63 -13.856 -2.503 10.069 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.124 -1.894 10.705 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.161 -2.865 12.964 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.104 -1.359 12.876 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.938 -2.931 12.903 1.00 0.00 H new ATOM 38 N GLY A 64 -13.000 -4.570 10.367 1.00 0.00 N ATOM 39 CA GLY A 64 -12.984 -5.936 9.882 1.00 0.00 C ATOM 40 C GLY A 64 -12.885 -6.008 8.370 1.00 0.00 C ATOM 41 O GLY A 64 -13.730 -6.618 7.712 1.00 0.00 O ATOM 0 H GLY A 64 -13.930 -4.192 10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.141 -6.467 10.325 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.890 -6.446 10.209 1.00 0.00 H new ATOM 45 N GLN A 65 -11.851 -5.381 7.819 1.00 0.00 N ATOM 46 CA GLN A 65 -11.635 -5.375 6.377 1.00 0.00 C ATOM 47 C GLN A 65 -10.257 -5.931 6.041 1.00 0.00 C ATOM 48 O GLN A 65 -9.379 -5.999 6.901 1.00 0.00 O ATOM 49 CB GLN A 65 -11.777 -3.957 5.825 1.00 0.00 C ATOM 50 CG GLN A 65 -13.106 -3.305 6.170 1.00 0.00 C ATOM 51 CD GLN A 65 -14.276 -3.954 5.455 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.829 -4.949 5.922 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.665 -3.383 4.323 1.00 0.00 N ATOM 0 H GLN A 65 -11.148 -4.869 8.351 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.390 -6.011 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.967 -3.341 6.214 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.665 -3.984 4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -13.266 -3.362 7.247 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -13.067 -2.247 5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.176 -2.559 3.973 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.453 -3.768 3.802 1.00 0.00 H new ATOM 62 N LEU A 66 -10.070 -6.327 4.788 1.00 0.00 N ATOM 63 CA LEU A 66 -8.795 -6.878 4.349 1.00 0.00 C ATOM 64 C LEU A 66 -8.100 -5.941 3.367 1.00 0.00 C ATOM 65 O LEU A 66 -8.735 -5.083 2.753 1.00 0.00 O ATOM 66 CB LEU A 66 -9.004 -8.249 3.701 1.00 0.00 C ATOM 67 CG LEU A 66 -9.764 -9.263 4.558 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.860 -10.600 3.840 1.00 0.00 C ATOM 69 CD2 LEU A 66 -9.090 -9.429 5.911 1.00 0.00 C ATOM 0 H LEU A 66 -10.783 -6.277 4.060 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.158 -6.989 5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.543 -8.112 2.764 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.029 -8.667 3.450 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.774 -8.888 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.404 -11.310 4.464 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.388 -10.469 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.858 -10.981 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.644 -10.154 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.069 -9.782 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.073 -8.470 6.429 1.00 0.00 H new ATOM 81 N CYS A 67 -6.791 -6.116 3.227 1.00 0.00 N ATOM 82 CA CYS A 67 -5.990 -5.300 2.321 1.00 0.00 C ATOM 83 C CYS A 67 -6.557 -5.351 0.900 1.00 0.00 C ATOM 84 O CYS A 67 -7.201 -6.328 0.520 1.00 0.00 O ATOM 85 CB CYS A 67 -4.543 -5.798 2.336 1.00 0.00 C ATOM 86 SG CYS A 67 -3.400 -4.806 1.355 1.00 0.00 S ATOM 0 H CYS A 67 -6.258 -6.822 3.734 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.019 -4.263 2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.191 -5.821 3.367 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.521 -6.824 1.968 1.00 0.00 H new ATOM 91 N CYS A 68 -6.312 -4.297 0.119 1.00 0.00 N ATOM 92 CA CYS A 68 -6.817 -4.230 -1.254 1.00 0.00 C ATOM 93 C CYS A 68 -5.682 -4.200 -2.278 1.00 0.00 C ATOM 94 O CYS A 68 -5.860 -3.730 -3.402 1.00 0.00 O ATOM 95 CB CYS A 68 -7.718 -3.007 -1.430 1.00 0.00 C ATOM 96 SG CYS A 68 -9.293 -3.130 -0.549 1.00 0.00 S ATOM 0 H CYS A 68 -5.771 -3.483 0.411 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.399 -5.134 -1.432 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -7.186 -2.122 -1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.916 -2.863 -2.492 1.00 0.00 H new ATOM 0 HG CYS A 68 -9.989 -2.051 -0.752 1.00 0.00 H new ATOM 102 N LEU A 69 -4.523 -4.703 -1.880 1.00 0.00 N ATOM 103 CA LEU A 69 -3.364 -4.767 -2.762 1.00 0.00 C ATOM 104 C LEU A 69 -2.956 -6.219 -2.959 1.00 0.00 C ATOM 105 O LEU A 69 -3.309 -7.084 -2.156 1.00 0.00 O ATOM 106 CB LEU A 69 -2.194 -3.973 -2.182 1.00 0.00 C ATOM 107 CG LEU A 69 -2.472 -2.491 -1.950 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.322 -1.848 -1.189 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.701 -1.777 -3.274 1.00 0.00 C ATOM 0 H LEU A 69 -4.358 -5.076 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.632 -4.327 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.902 -4.425 -1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.342 -4.066 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.377 -2.400 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.536 -0.791 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.203 -2.342 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.402 -1.950 -1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.898 -0.721 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.814 -1.876 -3.899 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.556 -2.221 -3.784 1.00 0.00 H new ATOM 121 N ARG A 70 -2.216 -6.485 -4.023 1.00 0.00 N ATOM 122 CA ARG A 70 -1.776 -7.841 -4.312 1.00 0.00 C ATOM 123 C ARG A 70 -0.268 -7.896 -4.516 1.00 0.00 C ATOM 124 O ARG A 70 0.307 -7.049 -5.198 1.00 0.00 O ATOM 125 CB ARG A 70 -2.487 -8.371 -5.558 1.00 0.00 C ATOM 126 CG ARG A 70 -3.993 -8.166 -5.531 1.00 0.00 C ATOM 127 CD ARG A 70 -4.655 -8.741 -6.772 1.00 0.00 C ATOM 128 NE ARG A 70 -4.466 -10.185 -6.871 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.204 -10.973 -7.645 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.172 -10.456 -8.389 1.00 0.00 N ATOM 131 NH2 ARG A 70 -4.974 -12.278 -7.676 1.00 0.00 N ATOM 0 H ARG A 70 -1.908 -5.785 -4.698 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.030 -8.467 -3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.077 -7.876 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.275 -9.435 -5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.410 -8.640 -4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.215 -7.101 -5.459 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.721 -8.515 -6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.243 -8.259 -7.659 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.726 -10.613 -6.315 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.351 -9.452 -8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.738 -11.062 -8.983 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.230 -12.678 -7.105 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.541 -12.882 -8.271 1.00 0.00 H new ATOM 145 N GLU A 71 0.369 -8.893 -3.914 1.00 0.00 N ATOM 146 CA GLU A 71 1.808 -9.065 -4.047 1.00 0.00 C ATOM 147 C GLU A 71 2.115 -10.355 -4.798 1.00 0.00 C ATOM 148 O GLU A 71 1.935 -11.452 -4.268 1.00 0.00 O ATOM 149 CB GLU A 71 2.484 -9.082 -2.675 1.00 0.00 C ATOM 150 CG GLU A 71 4.002 -9.081 -2.753 1.00 0.00 C ATOM 151 CD GLU A 71 4.660 -9.138 -1.389 1.00 0.00 C ATOM 152 OE1 GLU A 71 4.108 -8.545 -0.438 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.730 -9.772 -1.273 1.00 0.00 O ATOM 0 H GLU A 71 -0.089 -9.593 -3.330 1.00 0.00 H new ATOM 0 HA GLU A 71 2.202 -8.221 -4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.156 -8.213 -2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.156 -9.965 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.331 -9.934 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.334 -8.183 -3.274 1.00 0.00 H new ATOM 160 N ASP A 72 2.572 -10.215 -6.037 1.00 0.00 N ATOM 161 CA ASP A 72 2.892 -11.367 -6.870 1.00 0.00 C ATOM 162 C ASP A 72 1.653 -12.227 -7.090 1.00 0.00 C ATOM 163 O ASP A 72 1.723 -13.456 -7.068 1.00 0.00 O ATOM 164 CB ASP A 72 4.006 -12.199 -6.231 1.00 0.00 C ATOM 165 CG ASP A 72 5.295 -11.415 -6.079 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.495 -10.447 -6.843 1.00 0.00 O ATOM 167 OD2 ASP A 72 6.103 -11.767 -5.195 1.00 0.00 O ATOM 0 H ASP A 72 2.729 -9.313 -6.487 1.00 0.00 H new ATOM 0 HA ASP A 72 3.240 -11.004 -7.837 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.679 -12.549 -5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.191 -13.083 -6.841 1.00 0.00 H new ATOM 172 N GLY A 73 0.516 -11.569 -7.302 1.00 0.00 N ATOM 173 CA GLY A 73 -0.726 -12.284 -7.525 1.00 0.00 C ATOM 174 C GLY A 73 -1.417 -12.696 -6.236 1.00 0.00 C ATOM 175 O GLY A 73 -2.543 -13.192 -6.263 1.00 0.00 O ATOM 0 H GLY A 73 0.434 -10.552 -7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.400 -11.656 -8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.524 -13.173 -8.122 1.00 0.00 H new ATOM 179 N GLU A 74 -0.748 -12.492 -5.102 1.00 0.00 N ATOM 180 CA GLU A 74 -1.314 -12.857 -3.808 1.00 0.00 C ATOM 181 C GLU A 74 -2.088 -11.695 -3.197 1.00 0.00 C ATOM 182 O GLU A 74 -1.598 -10.568 -3.139 1.00 0.00 O ATOM 183 CB GLU A 74 -0.206 -13.324 -2.861 1.00 0.00 C ATOM 184 CG GLU A 74 -0.325 -14.789 -2.456 1.00 0.00 C ATOM 185 CD GLU A 74 -0.721 -15.691 -3.612 1.00 0.00 C ATOM 186 OE1 GLU A 74 0.177 -16.133 -4.359 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.933 -15.949 -3.772 1.00 0.00 O ATOM 0 H GLU A 74 0.183 -12.077 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.015 -13.678 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.760 -13.166 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.222 -12.705 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.628 -15.127 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.063 -14.882 -1.660 1.00 0.00 H new ATOM 194 N ARG A 75 -3.301 -11.987 -2.730 1.00 0.00 N ATOM 195 CA ARG A 75 -4.166 -10.969 -2.145 1.00 0.00 C ATOM 196 C ARG A 75 -3.831 -10.706 -0.675 1.00 0.00 C ATOM 197 O ARG A 75 -4.668 -10.887 0.209 1.00 0.00 O ATOM 198 CB ARG A 75 -5.626 -11.404 -2.292 1.00 0.00 C ATOM 199 CG ARG A 75 -6.457 -10.472 -3.157 1.00 0.00 C ATOM 200 CD ARG A 75 -7.016 -9.311 -2.349 1.00 0.00 C ATOM 201 NE ARG A 75 -7.560 -9.749 -1.066 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.640 -10.516 -0.941 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.316 -10.901 -2.016 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.051 -10.893 0.262 1.00 0.00 N ATOM 0 H ARG A 75 -3.706 -12.923 -2.746 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.002 -10.033 -2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.656 -12.406 -2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.079 -11.467 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.844 -10.087 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.277 -11.029 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.229 -8.577 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.797 -8.813 -2.923 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.084 -9.449 -0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.008 -10.609 -2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.143 -11.489 -1.915 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.539 -10.595 1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.879 -11.481 0.357 1.00 0.00 H new ATOM 218 N CYS A 76 -2.603 -10.248 -0.442 1.00 0.00 N ATOM 219 CA CYS A 76 -2.107 -9.916 0.899 1.00 0.00 C ATOM 220 C CYS A 76 -2.730 -10.788 2.008 1.00 0.00 C ATOM 221 O CYS A 76 -2.259 -11.897 2.262 1.00 0.00 O ATOM 222 CB CYS A 76 -2.328 -8.421 1.162 1.00 0.00 C ATOM 223 SG CYS A 76 -1.548 -7.801 2.669 1.00 0.00 S ATOM 0 H CYS A 76 -1.917 -10.095 -1.181 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.040 -10.136 0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.947 -7.855 0.312 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.400 -8.229 1.218 1.00 0.00 H new ATOM 228 N GLY A 77 -3.785 -10.296 2.663 1.00 0.00 N ATOM 229 CA GLY A 77 -4.415 -11.060 3.725 1.00 0.00 C ATOM 230 C GLY A 77 -4.449 -10.309 5.044 1.00 0.00 C ATOM 231 O GLY A 77 -5.323 -10.545 5.879 1.00 0.00 O ATOM 0 H GLY A 77 -4.210 -9.388 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.433 -11.314 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.878 -11.999 3.860 1.00 0.00 H new ATOM 235 N ARG A 78 -3.492 -9.405 5.236 1.00 0.00 N ATOM 236 CA ARG A 78 -3.422 -8.617 6.462 1.00 0.00 C ATOM 237 C ARG A 78 -4.574 -7.619 6.530 1.00 0.00 C ATOM 238 O ARG A 78 -4.903 -6.970 5.539 1.00 0.00 O ATOM 239 CB ARG A 78 -2.084 -7.879 6.548 1.00 0.00 C ATOM 240 CG ARG A 78 -1.991 -6.938 7.738 1.00 0.00 C ATOM 241 CD ARG A 78 -0.624 -6.282 7.826 1.00 0.00 C ATOM 242 NE ARG A 78 -0.556 -5.325 8.929 1.00 0.00 N ATOM 243 CZ ARG A 78 0.541 -5.081 9.646 1.00 0.00 C ATOM 244 NH1 ARG A 78 1.683 -5.703 9.377 1.00 0.00 N ATOM 245 NH2 ARG A 78 0.494 -4.206 10.643 1.00 0.00 N ATOM 0 H ARG A 78 -2.756 -9.201 4.560 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.503 -9.299 7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.277 -8.610 6.608 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.931 -7.310 5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.760 -6.169 7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.190 -7.491 8.656 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.140 -7.048 7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.403 -5.773 6.888 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.404 -4.810 9.166 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.729 -6.378 8.613 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.514 -5.506 9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.379 -3.724 10.858 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.331 -4.016 11.195 1.00 0.00 H new ATOM 259 N ALA A 79 -5.180 -7.501 7.707 1.00 0.00 N ATOM 260 CA ALA A 79 -6.303 -6.591 7.905 1.00 0.00 C ATOM 261 C ALA A 79 -5.921 -5.148 7.592 1.00 0.00 C ATOM 262 O ALA A 79 -4.800 -4.718 7.863 1.00 0.00 O ATOM 263 CB ALA A 79 -6.817 -6.697 9.333 1.00 0.00 C ATOM 0 H ALA A 79 -4.912 -8.025 8.540 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.093 -6.884 7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.655 -6.014 9.470 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.146 -7.718 9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.019 -6.435 10.027 1.00 0.00 H new ATOM 269 N ALA A 80 -6.863 -4.406 7.013 1.00 0.00 N ATOM 270 CA ALA A 80 -6.631 -3.006 6.681 1.00 0.00 C ATOM 271 C ALA A 80 -6.236 -2.234 7.932 1.00 0.00 C ATOM 272 O ALA A 80 -6.515 -2.672 9.049 1.00 0.00 O ATOM 273 CB ALA A 80 -7.872 -2.398 6.045 1.00 0.00 C ATOM 0 H ALA A 80 -7.790 -4.751 6.766 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.815 -2.945 5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.682 -1.352 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.117 -2.942 5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.707 -2.463 6.742 1.00 0.00 H new ATOM 279 N GLY A 81 -5.594 -1.086 7.752 1.00 0.00 N ATOM 280 CA GLY A 81 -5.164 -0.311 8.898 1.00 0.00 C ATOM 281 C GLY A 81 -5.667 1.119 8.901 1.00 0.00 C ATOM 282 O GLY A 81 -6.869 1.368 9.002 1.00 0.00 O ATOM 0 H GLY A 81 -5.366 -0.682 6.844 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.505 -0.807 9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.074 -0.302 8.929 1.00 0.00 H new ATOM 286 N ASN A 82 -4.735 2.061 8.787 1.00 0.00 N ATOM 287 CA ASN A 82 -5.070 3.478 8.815 1.00 0.00 C ATOM 288 C ASN A 82 -4.518 4.219 7.598 1.00 0.00 C ATOM 289 O ASN A 82 -4.459 5.448 7.588 1.00 0.00 O ATOM 290 CB ASN A 82 -4.510 4.093 10.099 1.00 0.00 C ATOM 291 CG ASN A 82 -5.164 5.410 10.457 1.00 0.00 C ATOM 292 OD1 ASN A 82 -6.357 5.462 10.754 1.00 0.00 O ATOM 293 ND2 ASN A 82 -4.382 6.484 10.445 1.00 0.00 N ATOM 0 H ASN A 82 -3.740 1.866 8.674 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.155 3.576 8.788 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.646 3.391 10.921 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -3.437 4.246 9.984 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -4.766 7.397 10.688 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.398 6.395 10.192 1.00 0.00 H new ATOM 300 N ALA A 83 -4.121 3.475 6.569 1.00 0.00 N ATOM 301 CA ALA A 83 -3.571 4.084 5.364 1.00 0.00 C ATOM 302 C ALA A 83 -4.512 3.922 4.176 1.00 0.00 C ATOM 303 O ALA A 83 -5.273 2.958 4.096 1.00 0.00 O ATOM 304 CB ALA A 83 -2.211 3.484 5.044 1.00 0.00 C ATOM 0 H ALA A 83 -4.170 2.456 6.546 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.455 5.151 5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.812 3.948 4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.530 3.663 5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.315 2.411 4.885 1.00 0.00 H new ATOM 310 N SER A 84 -4.449 4.875 3.255 1.00 0.00 N ATOM 311 CA SER A 84 -5.285 4.846 2.064 1.00 0.00 C ATOM 312 C SER A 84 -4.430 4.887 0.802 1.00 0.00 C ATOM 313 O SER A 84 -3.338 5.455 0.798 1.00 0.00 O ATOM 314 CB SER A 84 -6.261 6.025 2.073 1.00 0.00 C ATOM 315 OG SER A 84 -5.581 7.248 2.304 1.00 0.00 O ATOM 0 H SER A 84 -3.825 5.680 3.311 1.00 0.00 H new ATOM 0 HA SER A 84 -5.852 3.915 2.068 1.00 0.00 H new ATOM 0 HB2 SER A 84 -6.788 6.072 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.014 5.872 2.846 1.00 0.00 H new ATOM 0 HG SER A 84 -6.226 7.986 2.303 1.00 0.00 H new ATOM 321 N PHE A 85 -4.932 4.274 -0.262 1.00 0.00 N ATOM 322 CA PHE A 85 -4.226 4.246 -1.537 1.00 0.00 C ATOM 323 C PHE A 85 -4.460 5.550 -2.290 1.00 0.00 C ATOM 324 O PHE A 85 -5.599 5.906 -2.590 1.00 0.00 O ATOM 325 CB PHE A 85 -4.709 3.056 -2.359 1.00 0.00 C ATOM 326 CG PHE A 85 -4.058 2.912 -3.705 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.735 2.511 -3.820 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.789 3.140 -4.858 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.157 2.344 -5.065 1.00 0.00 C ATOM 330 CE2 PHE A 85 -4.221 2.964 -6.101 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.905 2.568 -6.205 1.00 0.00 C ATOM 0 H PHE A 85 -5.829 3.788 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.156 4.140 -1.359 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.535 2.144 -1.788 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.786 3.143 -2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.152 2.328 -2.930 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.818 3.460 -4.782 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.124 2.039 -5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.806 3.136 -6.992 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.458 2.433 -7.179 1.00 0.00 H new ATOM 341 N SER A 86 -3.378 6.258 -2.589 1.00 0.00 N ATOM 342 CA SER A 86 -3.473 7.534 -3.285 1.00 0.00 C ATOM 343 C SER A 86 -2.592 7.555 -4.535 1.00 0.00 C ATOM 344 O SER A 86 -2.264 6.508 -5.092 1.00 0.00 O ATOM 345 CB SER A 86 -3.068 8.663 -2.333 1.00 0.00 C ATOM 346 OG SER A 86 -1.673 8.640 -2.083 1.00 0.00 O ATOM 0 H SER A 86 -2.426 5.971 -2.361 1.00 0.00 H new ATOM 0 HA SER A 86 -4.505 7.676 -3.606 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.348 9.624 -2.763 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.611 8.564 -1.393 1.00 0.00 H new ATOM 0 HG SER A 86 -1.438 9.371 -1.474 1.00 0.00 H new ATOM 352 N LYS A 87 -2.259 8.759 -4.997 1.00 0.00 N ATOM 353 CA LYS A 87 -1.410 8.937 -6.173 1.00 0.00 C ATOM 354 C LYS A 87 0.067 8.754 -5.811 1.00 0.00 C ATOM 355 O LYS A 87 0.830 8.127 -6.546 1.00 0.00 O ATOM 356 CB LYS A 87 -1.618 10.326 -6.787 1.00 0.00 C ATOM 357 CG LYS A 87 -3.040 10.874 -6.681 1.00 0.00 C ATOM 358 CD LYS A 87 -3.959 10.322 -7.757 1.00 0.00 C ATOM 359 CE LYS A 87 -5.265 11.101 -7.802 1.00 0.00 C ATOM 360 NZ LYS A 87 -6.139 10.672 -8.928 1.00 0.00 N ATOM 0 H LYS A 87 -2.568 9.633 -4.570 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.692 8.179 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.938 11.026 -6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.338 10.287 -7.840 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.447 10.630 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.013 11.961 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.464 10.376 -8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.164 9.269 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.798 10.968 -6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.048 12.165 -7.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.017 11.230 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.643 10.823 -9.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.369 9.663 -8.824 1.00 0.00 H new ATOM 374 N ARG A 88 0.459 9.331 -4.674 1.00 0.00 N ATOM 375 CA ARG A 88 1.838 9.261 -4.188 1.00 0.00 C ATOM 376 C ARG A 88 2.333 7.822 -4.145 1.00 0.00 C ATOM 377 O ARG A 88 3.446 7.530 -4.583 1.00 0.00 O ATOM 378 CB ARG A 88 1.920 9.913 -2.798 1.00 0.00 C ATOM 379 CG ARG A 88 3.186 9.591 -2.011 1.00 0.00 C ATOM 380 CD ARG A 88 3.014 8.338 -1.165 1.00 0.00 C ATOM 381 NE ARG A 88 1.749 8.340 -0.430 1.00 0.00 N ATOM 382 CZ ARG A 88 1.591 8.825 0.801 1.00 0.00 C ATOM 383 NH1 ARG A 88 2.606 9.399 1.436 1.00 0.00 N ATOM 384 NH2 ARG A 88 0.406 8.750 1.394 1.00 0.00 N ATOM 0 H ARG A 88 -0.168 9.858 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 88 2.485 9.804 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.848 10.994 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.056 9.597 -2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.019 9.454 -2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.440 10.434 -1.368 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.058 7.458 -1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.842 8.260 -0.460 1.00 0.00 H new ATOM 0 HE ARG A 88 0.931 7.942 -0.892 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.516 9.472 0.982 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.475 9.767 2.378 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.382 8.322 0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.283 9.121 2.336 1.00 0.00 H new ATOM 398 N ILE A 89 1.514 6.926 -3.612 1.00 0.00 N ATOM 399 CA ILE A 89 1.888 5.524 -3.538 1.00 0.00 C ATOM 400 C ILE A 89 2.026 4.945 -4.940 1.00 0.00 C ATOM 401 O ILE A 89 2.918 4.143 -5.207 1.00 0.00 O ATOM 402 CB ILE A 89 0.866 4.705 -2.729 1.00 0.00 C ATOM 403 CG1 ILE A 89 0.730 5.289 -1.321 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.282 3.244 -2.669 1.00 0.00 C ATOM 405 CD1 ILE A 89 -0.089 4.435 -0.380 1.00 0.00 C ATOM 0 H ILE A 89 0.594 7.144 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 89 2.847 5.463 -3.023 1.00 0.00 H new ATOM 0 HB ILE A 89 -0.103 4.759 -3.225 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.725 5.427 -0.898 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.273 6.276 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.548 2.680 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.338 2.840 -3.680 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.258 3.163 -2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.139 4.916 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.097 4.318 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.378 3.455 -0.279 1.00 0.00 H new ATOM 417 N GLN A 90 1.140 5.367 -5.838 1.00 0.00 N ATOM 418 CA GLN A 90 1.183 4.912 -7.222 1.00 0.00 C ATOM 419 C GLN A 90 2.495 5.346 -7.856 1.00 0.00 C ATOM 420 O GLN A 90 3.193 4.558 -8.494 1.00 0.00 O ATOM 421 CB GLN A 90 0.012 5.498 -8.012 1.00 0.00 C ATOM 422 CG GLN A 90 -0.093 4.956 -9.429 1.00 0.00 C ATOM 423 CD GLN A 90 0.194 6.004 -10.490 1.00 0.00 C ATOM 424 OE1 GLN A 90 0.860 5.724 -11.488 1.00 0.00 O ATOM 425 NE2 GLN A 90 -0.329 7.211 -10.298 1.00 0.00 N ATOM 0 H GLN A 90 0.386 6.022 -5.632 1.00 0.00 H new ATOM 0 HA GLN A 90 1.108 3.825 -7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.916 5.288 -7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.117 6.582 -8.053 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.605 4.127 -9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.094 4.554 -9.585 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.875 7.403 -9.458 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.185 7.945 -10.991 1.00 0.00 H new ATOM 434 N LYS A 91 2.813 6.618 -7.665 1.00 0.00 N ATOM 435 CA LYS A 91 4.033 7.204 -8.180 1.00 0.00 C ATOM 436 C LYS A 91 5.250 6.499 -7.582 1.00 0.00 C ATOM 437 O LYS A 91 6.174 6.112 -8.298 1.00 0.00 O ATOM 438 CB LYS A 91 4.036 8.696 -7.842 1.00 0.00 C ATOM 439 CG LYS A 91 3.648 9.587 -9.014 1.00 0.00 C ATOM 440 CD LYS A 91 4.865 10.119 -9.752 1.00 0.00 C ATOM 441 CE LYS A 91 5.415 11.374 -9.089 1.00 0.00 C ATOM 442 NZ LYS A 91 4.510 12.543 -9.270 1.00 0.00 N ATOM 0 H LYS A 91 2.227 7.272 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 91 4.082 7.082 -9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.347 8.874 -7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.029 8.979 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.022 9.024 -9.706 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.050 10.423 -8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.639 9.352 -9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.597 10.340 -10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.559 11.188 -8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.394 11.606 -9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.040 13.422 -9.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.136 12.545 -10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.721 12.479 -8.595 1.00 0.00 H new ATOM 456 N SER A 92 5.230 6.322 -6.264 1.00 0.00 N ATOM 457 CA SER A 92 6.319 5.651 -5.567 1.00 0.00 C ATOM 458 C SER A 92 6.540 4.263 -6.163 1.00 0.00 C ATOM 459 O SER A 92 7.666 3.885 -6.486 1.00 0.00 O ATOM 460 CB SER A 92 6.004 5.545 -4.074 1.00 0.00 C ATOM 461 OG SER A 92 7.190 5.545 -3.298 1.00 0.00 O ATOM 0 H SER A 92 4.471 6.634 -5.659 1.00 0.00 H new ATOM 0 HA SER A 92 7.231 6.235 -5.688 1.00 0.00 H new ATOM 0 HB2 SER A 92 5.370 6.379 -3.773 1.00 0.00 H new ATOM 0 HB3 SER A 92 5.441 4.631 -3.882 1.00 0.00 H new ATOM 0 HG SER A 92 6.959 5.478 -2.348 1.00 0.00 H new ATOM 467 N ILE A 93 5.451 3.510 -6.309 1.00 0.00 N ATOM 468 CA ILE A 93 5.522 2.173 -6.885 1.00 0.00 C ATOM 469 C ILE A 93 6.100 2.238 -8.294 1.00 0.00 C ATOM 470 O ILE A 93 6.978 1.465 -8.641 1.00 0.00 O ATOM 471 CB ILE A 93 4.130 1.494 -6.936 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.603 1.242 -5.523 1.00 0.00 C ATOM 473 CG2 ILE A 93 4.187 0.181 -7.711 1.00 0.00 C ATOM 474 CD1 ILE A 93 2.155 0.806 -5.491 1.00 0.00 C ATOM 0 H ILE A 93 4.513 3.804 -6.037 1.00 0.00 H new ATOM 0 HA ILE A 93 6.171 1.577 -6.243 1.00 0.00 H new ATOM 0 HB ILE A 93 3.449 2.170 -7.453 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.216 0.477 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.714 2.153 -4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.196 -0.273 -7.730 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.517 0.375 -8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.888 -0.498 -7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.846 0.645 -4.458 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.532 1.580 -5.939 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.042 -0.121 -6.053 1.00 0.00 H new ATOM 486 N SER A 94 5.597 3.166 -9.097 1.00 0.00 N ATOM 487 CA SER A 94 6.057 3.320 -10.473 1.00 0.00 C ATOM 488 C SER A 94 7.570 3.528 -10.534 1.00 0.00 C ATOM 489 O SER A 94 8.237 3.028 -11.439 1.00 0.00 O ATOM 490 CB SER A 94 5.338 4.492 -11.140 1.00 0.00 C ATOM 491 OG SER A 94 5.481 4.444 -12.549 1.00 0.00 O ATOM 0 H SER A 94 4.869 3.825 -8.820 1.00 0.00 H new ATOM 0 HA SER A 94 5.822 2.401 -11.011 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.280 4.470 -10.878 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.741 5.432 -10.762 1.00 0.00 H new ATOM 0 HG SER A 94 5.011 5.204 -12.952 1.00 0.00 H new ATOM 497 N GLN A 95 8.106 4.270 -9.569 1.00 0.00 N ATOM 498 CA GLN A 95 9.542 4.537 -9.519 1.00 0.00 C ATOM 499 C GLN A 95 10.301 3.284 -9.088 1.00 0.00 C ATOM 500 O GLN A 95 11.464 3.094 -9.446 1.00 0.00 O ATOM 501 CB GLN A 95 9.835 5.690 -8.558 1.00 0.00 C ATOM 502 CG GLN A 95 11.246 6.249 -8.676 1.00 0.00 C ATOM 503 CD GLN A 95 11.537 6.823 -10.050 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.230 7.983 -10.328 1.00 0.00 O ATOM 505 NE2 GLN A 95 12.144 6.017 -10.913 1.00 0.00 N ATOM 0 H GLN A 95 7.570 4.696 -8.813 1.00 0.00 H new ATOM 0 HA GLN A 95 9.877 4.821 -10.517 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.120 6.493 -8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.675 5.347 -7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.388 7.026 -7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.965 5.459 -8.457 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.380 5.063 -10.640 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.374 6.352 -11.849 1.00 0.00 H new ATOM 514 N LYS A 96 9.629 2.434 -8.318 1.00 0.00 N ATOM 515 CA LYS A 96 10.223 1.188 -7.844 1.00 0.00 C ATOM 516 C LYS A 96 10.041 0.086 -8.879 1.00 0.00 C ATOM 517 O LYS A 96 10.952 -0.697 -9.145 1.00 0.00 O ATOM 518 CB LYS A 96 9.559 0.740 -6.540 1.00 0.00 C ATOM 519 CG LYS A 96 9.631 1.754 -5.416 1.00 0.00 C ATOM 520 CD LYS A 96 8.650 1.408 -4.306 1.00 0.00 C ATOM 521 CE LYS A 96 8.843 2.303 -3.096 1.00 0.00 C ATOM 522 NZ LYS A 96 8.947 3.736 -3.478 1.00 0.00 N ATOM 0 H LYS A 96 8.669 2.586 -8.008 1.00 0.00 H new ATOM 0 HA LYS A 96 11.285 1.368 -7.676 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.512 0.512 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.029 -0.186 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.644 1.786 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.411 2.749 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.630 1.509 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.782 0.366 -4.014 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.007 2.170 -2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.745 2.003 -2.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.903 4.084 -3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.763 3.838 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.248 4.290 -2.943 1.00 0.00 H new ATOM 536 N LYS A 97 8.850 0.050 -9.462 1.00 0.00 N ATOM 537 CA LYS A 97 8.490 -0.958 -10.444 1.00 0.00 C ATOM 538 C LYS A 97 8.475 -2.331 -9.792 1.00 0.00 C ATOM 539 O LYS A 97 9.489 -3.027 -9.749 1.00 0.00 O ATOM 540 CB LYS A 97 9.443 -0.926 -11.633 1.00 0.00 C ATOM 541 CG LYS A 97 9.205 0.258 -12.554 1.00 0.00 C ATOM 542 CD LYS A 97 8.757 -0.193 -13.934 1.00 0.00 C ATOM 543 CE LYS A 97 9.534 0.519 -15.027 1.00 0.00 C ATOM 544 NZ LYS A 97 10.996 0.537 -14.745 1.00 0.00 N ATOM 0 H LYS A 97 8.107 0.721 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 97 7.490 -0.740 -10.820 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.470 -0.894 -11.268 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.336 -1.849 -12.202 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.448 0.912 -12.120 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.121 0.843 -12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.895 -1.270 -14.029 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.692 0.004 -14.055 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.354 0.025 -15.982 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.170 1.542 -15.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.523 0.507 -15.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.239 1.407 -14.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.248 -0.290 -14.168 1.00 0.00 H new ATOM 558 N VAL A 98 7.312 -2.702 -9.266 1.00 0.00 N ATOM 559 CA VAL A 98 7.144 -3.980 -8.592 1.00 0.00 C ATOM 560 C VAL A 98 5.832 -4.648 -8.990 1.00 0.00 C ATOM 561 O VAL A 98 5.006 -4.054 -9.683 1.00 0.00 O ATOM 562 CB VAL A 98 7.178 -3.802 -7.064 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.581 -3.442 -6.599 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.180 -2.736 -6.631 1.00 0.00 C ATOM 0 H VAL A 98 6.468 -2.130 -9.295 1.00 0.00 H new ATOM 0 HA VAL A 98 7.973 -4.618 -8.900 1.00 0.00 H new ATOM 0 HB VAL A 98 6.896 -4.747 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.585 -3.320 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.272 -4.238 -6.877 1.00 0.00 H new ATOM 0 HG13 VAL A 98 8.892 -2.510 -7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.216 -2.622 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.433 -1.787 -7.104 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.176 -3.035 -6.931 1.00 0.00 H new ATOM 574 N LYS A 99 5.645 -5.886 -8.541 1.00 0.00 N ATOM 575 CA LYS A 99 4.438 -6.641 -8.853 1.00 0.00 C ATOM 576 C LYS A 99 3.326 -6.357 -7.848 1.00 0.00 C ATOM 577 O LYS A 99 2.793 -7.273 -7.222 1.00 0.00 O ATOM 578 CB LYS A 99 4.742 -8.140 -8.878 1.00 0.00 C ATOM 579 CG LYS A 99 5.609 -8.563 -10.051 1.00 0.00 C ATOM 580 CD LYS A 99 4.851 -9.480 -10.997 1.00 0.00 C ATOM 581 CE LYS A 99 5.638 -9.745 -12.268 1.00 0.00 C ATOM 582 NZ LYS A 99 6.141 -8.484 -12.881 1.00 0.00 N ATOM 0 H LYS A 99 6.316 -6.387 -7.959 1.00 0.00 H new ATOM 0 HA LYS A 99 4.095 -6.324 -9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.241 -8.417 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.803 -8.693 -8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.949 -7.680 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.499 -9.073 -9.683 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.638 -10.425 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.891 -9.030 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.479 -10.401 -12.044 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.006 -10.270 -12.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.398 -8.659 -13.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.398 -7.757 -12.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.978 -8.154 -12.360 1.00 0.00 H new ATOM 596 N ILE A 100 2.983 -5.085 -7.696 1.00 0.00 N ATOM 597 CA ILE A 100 1.926 -4.685 -6.777 1.00 0.00 C ATOM 598 C ILE A 100 0.937 -3.759 -7.472 1.00 0.00 C ATOM 599 O ILE A 100 1.303 -2.680 -7.937 1.00 0.00 O ATOM 600 CB ILE A 100 2.493 -3.978 -5.528 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.471 -4.897 -4.795 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.364 -3.551 -4.598 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.098 -4.260 -3.573 1.00 0.00 C ATOM 0 H ILE A 100 3.421 -4.312 -8.197 1.00 0.00 H new ATOM 0 HA ILE A 100 1.417 -5.594 -6.458 1.00 0.00 H new ATOM 0 HB ILE A 100 3.030 -3.086 -5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.948 -5.805 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.261 -5.198 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.782 -3.054 -3.723 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.700 -2.864 -5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.801 -4.429 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.780 -4.968 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.649 -3.368 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.317 -3.984 -2.865 1.00 0.00 H new ATOM 615 N GLU A 101 -0.315 -4.191 -7.549 1.00 0.00 N ATOM 616 CA GLU A 101 -1.354 -3.394 -8.185 1.00 0.00 C ATOM 617 C GLU A 101 -2.646 -3.452 -7.384 1.00 0.00 C ATOM 618 O GLU A 101 -2.866 -4.375 -6.599 1.00 0.00 O ATOM 619 CB GLU A 101 -1.604 -3.870 -9.618 1.00 0.00 C ATOM 620 CG GLU A 101 -2.058 -5.317 -9.717 1.00 0.00 C ATOM 621 CD GLU A 101 -0.905 -6.299 -9.657 1.00 0.00 C ATOM 622 OE1 GLU A 101 0.237 -5.892 -9.956 1.00 0.00 O ATOM 623 OE2 GLU A 101 -1.145 -7.476 -9.318 1.00 0.00 O ATOM 0 H GLU A 101 -0.634 -5.087 -7.180 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.009 -2.360 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.359 -3.231 -10.076 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.688 -3.747 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.754 -5.531 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.602 -5.459 -10.651 1.00 0.00 H new ATOM 630 N LEU A 102 -3.499 -2.459 -7.591 1.00 0.00 N ATOM 631 CA LEU A 102 -4.765 -2.389 -6.884 1.00 0.00 C ATOM 632 C LEU A 102 -5.826 -3.263 -7.546 1.00 0.00 C ATOM 633 O LEU A 102 -6.129 -3.109 -8.729 1.00 0.00 O ATOM 634 CB LEU A 102 -5.254 -0.939 -6.817 1.00 0.00 C ATOM 635 CG LEU A 102 -6.678 -0.780 -6.296 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.701 -0.094 -4.943 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.535 -0.038 -7.296 1.00 0.00 C ATOM 0 H LEU A 102 -3.335 -1.692 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.601 -2.764 -5.874 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.580 -0.370 -6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.193 -0.501 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.097 -1.778 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.732 0.003 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.135 -0.687 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.253 0.896 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.547 0.064 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.113 0.951 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.564 -0.593 -8.233 1.00 0.00 H new ATOM 649 N ASP A 103 -6.396 -4.174 -6.766 1.00 0.00 N ATOM 650 CA ASP A 103 -7.445 -5.052 -7.260 1.00 0.00 C ATOM 651 C ASP A 103 -8.729 -4.244 -7.386 1.00 0.00 C ATOM 652 O ASP A 103 -9.083 -3.494 -6.477 1.00 0.00 O ATOM 653 CB ASP A 103 -7.650 -6.237 -6.312 1.00 0.00 C ATOM 654 CG ASP A 103 -8.534 -7.320 -6.908 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.292 -7.715 -8.068 1.00 0.00 O ATOM 656 OD2 ASP A 103 -9.464 -7.777 -6.211 1.00 0.00 O ATOM 0 H ASP A 103 -6.148 -4.322 -5.788 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.161 -5.453 -8.233 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -6.680 -6.665 -6.057 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.095 -5.881 -5.383 1.00 0.00 H new ATOM 661 N LYS A 104 -9.417 -4.386 -8.507 1.00 0.00 N ATOM 662 CA LYS A 104 -10.643 -3.632 -8.741 1.00 0.00 C ATOM 663 C LYS A 104 -11.871 -4.325 -8.150 1.00 0.00 C ATOM 664 O LYS A 104 -12.945 -3.728 -8.071 1.00 0.00 O ATOM 665 CB LYS A 104 -10.830 -3.408 -10.241 1.00 0.00 C ATOM 666 CG LYS A 104 -9.619 -2.775 -10.906 1.00 0.00 C ATOM 667 CD LYS A 104 -9.921 -1.371 -11.403 1.00 0.00 C ATOM 668 CE LYS A 104 -8.762 -0.423 -11.137 1.00 0.00 C ATOM 669 NZ LYS A 104 -7.463 -0.986 -11.598 1.00 0.00 N ATOM 0 H LYS A 104 -9.151 -5.012 -9.267 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.544 -2.672 -8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.042 -4.363 -10.721 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -11.699 -2.770 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -8.791 -2.740 -10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.297 -3.396 -11.742 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.130 -1.400 -12.472 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -10.819 -0.996 -10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.946 0.525 -11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -8.706 -0.209 -10.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.795 -0.211 -11.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.075 -1.611 -10.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.611 -1.530 -12.472 1.00 0.00 H new ATOM 683 N SER A 105 -11.715 -5.576 -7.729 1.00 0.00 N ATOM 684 CA SER A 105 -12.826 -6.324 -7.149 1.00 0.00 C ATOM 685 C SER A 105 -13.244 -5.738 -5.801 1.00 0.00 C ATOM 686 O SER A 105 -14.375 -5.933 -5.355 1.00 0.00 O ATOM 687 CB SER A 105 -12.443 -7.796 -6.980 1.00 0.00 C ATOM 688 OG SER A 105 -13.546 -8.562 -6.527 1.00 0.00 O ATOM 0 H SER A 105 -10.836 -6.091 -7.778 1.00 0.00 H new ATOM 0 HA SER A 105 -13.672 -6.248 -7.832 1.00 0.00 H new ATOM 0 HB2 SER A 105 -12.086 -8.193 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 105 -11.621 -7.882 -6.270 1.00 0.00 H new ATOM 0 HG SER A 105 -13.275 -9.499 -6.429 1.00 0.00 H new ATOM 694 N ALA A 106 -12.327 -5.017 -5.159 1.00 0.00 N ATOM 695 CA ALA A 106 -12.597 -4.411 -3.857 1.00 0.00 C ATOM 696 C ALA A 106 -13.685 -3.341 -3.945 1.00 0.00 C ATOM 697 O ALA A 106 -14.482 -3.327 -4.884 1.00 0.00 O ATOM 698 CB ALA A 106 -11.319 -3.824 -3.275 1.00 0.00 C ATOM 0 H ALA A 106 -11.390 -4.838 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.963 -5.196 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.533 -3.375 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.578 -4.614 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.929 -3.061 -3.949 1.00 0.00 H new ATOM 704 N ARG A 107 -13.714 -2.452 -2.953 1.00 0.00 N ATOM 705 CA ARG A 107 -14.700 -1.379 -2.909 1.00 0.00 C ATOM 706 C ARG A 107 -14.081 -0.084 -2.399 1.00 0.00 C ATOM 707 O ARG A 107 -14.082 0.937 -3.088 1.00 0.00 O ATOM 708 CB ARG A 107 -15.863 -1.778 -1.998 1.00 0.00 C ATOM 709 CG ARG A 107 -17.112 -2.186 -2.753 1.00 0.00 C ATOM 710 CD ARG A 107 -18.273 -1.255 -2.446 1.00 0.00 C ATOM 711 NE ARG A 107 -19.259 -1.243 -3.524 1.00 0.00 N ATOM 712 CZ ARG A 107 -19.250 -0.377 -4.538 1.00 0.00 C ATOM 713 NH1 ARG A 107 -18.313 0.560 -4.626 1.00 0.00 N ATOM 714 NH2 ARG A 107 -20.185 -0.455 -5.475 1.00 0.00 N ATOM 0 H ARG A 107 -13.063 -2.456 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.064 -1.214 -3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -15.548 -2.604 -1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.102 -0.942 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -16.911 -2.178 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -17.383 -3.208 -2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.753 -1.566 -1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.896 -0.245 -2.287 1.00 0.00 H new ATOM 0 HE ARG A 107 -20.002 -1.942 -3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.587 0.624 -3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.319 1.215 -5.407 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.906 -1.174 -5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.184 0.205 -6.253 1.00 0.00 H new ATOM 728 N HIS A 108 -13.553 -0.139 -1.184 1.00 0.00 N ATOM 729 CA HIS A 108 -12.943 1.022 -0.550 1.00 0.00 C ATOM 730 C HIS A 108 -11.467 1.152 -0.921 1.00 0.00 C ATOM 731 O HIS A 108 -10.963 0.432 -1.783 1.00 0.00 O ATOM 732 CB HIS A 108 -13.083 0.899 0.966 1.00 0.00 C ATOM 733 CG HIS A 108 -12.442 -0.340 1.513 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.095 -0.583 1.420 1.00 0.00 N ATOM 735 CD2 HIS A 108 -12.970 -1.404 2.161 1.00 0.00 C ATOM 736 CE1 HIS A 108 -10.813 -1.741 1.989 1.00 0.00 C ATOM 737 NE2 HIS A 108 -11.935 -2.260 2.448 1.00 0.00 N ATOM 0 H HIS A 108 -13.535 -0.984 -0.613 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.457 1.915 -0.904 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -12.635 1.773 1.439 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.141 0.901 1.229 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.011 -1.552 2.407 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.832 -2.186 2.065 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -12.020 -3.151 2.936 1.00 0.00 H new ATOM 746 N LEU A 109 -10.788 2.090 -0.266 1.00 0.00 N ATOM 747 CA LEU A 109 -9.367 2.320 -0.493 1.00 0.00 C ATOM 748 C LEU A 109 -8.636 2.400 0.844 1.00 0.00 C ATOM 749 O LEU A 109 -8.269 3.481 1.305 1.00 0.00 O ATOM 750 CB LEU A 109 -9.147 3.607 -1.293 1.00 0.00 C ATOM 751 CG LEU A 109 -9.824 3.640 -2.666 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.542 4.959 -3.368 1.00 0.00 C ATOM 753 CD2 LEU A 109 -9.360 2.469 -3.520 1.00 0.00 C ATOM 0 H LEU A 109 -11.205 2.707 0.431 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.967 1.487 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.511 4.449 -0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.076 3.753 -1.429 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.901 3.552 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.031 4.965 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.926 5.782 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.467 5.078 -3.501 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.852 2.510 -4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.280 2.524 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.615 1.533 -3.023 1.00 0.00 H new ATOM 765 N TYR A 110 -8.426 1.240 1.452 1.00 0.00 N ATOM 766 CA TYR A 110 -7.763 1.145 2.743 1.00 0.00 C ATOM 767 C TYR A 110 -6.783 -0.013 2.726 1.00 0.00 C ATOM 768 O TYR A 110 -7.183 -1.177 2.677 1.00 0.00 O ATOM 769 CB TYR A 110 -8.782 0.933 3.869 1.00 0.00 C ATOM 770 CG TYR A 110 -9.651 2.136 4.164 1.00 0.00 C ATOM 771 CD1 TYR A 110 -9.097 3.320 4.637 1.00 0.00 C ATOM 772 CD2 TYR A 110 -11.027 2.083 3.980 1.00 0.00 C ATOM 773 CE1 TYR A 110 -9.891 4.417 4.915 1.00 0.00 C ATOM 774 CE2 TYR A 110 -11.827 3.175 4.257 1.00 0.00 C ATOM 775 CZ TYR A 110 -11.254 4.339 4.724 1.00 0.00 C ATOM 776 OH TYR A 110 -12.048 5.428 5.003 1.00 0.00 O ATOM 0 H TYR A 110 -8.710 0.341 1.064 1.00 0.00 H new ATOM 0 HA TYR A 110 -7.233 2.079 2.927 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.424 0.092 3.607 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.248 0.655 4.778 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -8.030 3.384 4.790 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -11.479 1.173 3.614 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -9.446 5.331 5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -12.895 3.117 4.109 1.00 0.00 H new ATOM 0 HH TYR A 110 -12.984 5.208 4.813 1.00 0.00 H new ATOM 786 N ILE A 111 -5.502 0.307 2.753 1.00 0.00 N ATOM 787 CA ILE A 111 -4.468 -0.713 2.735 1.00 0.00 C ATOM 788 C ILE A 111 -4.040 -1.081 4.149 1.00 0.00 C ATOM 789 O ILE A 111 -4.423 -0.424 5.117 1.00 0.00 O ATOM 790 CB ILE A 111 -3.237 -0.239 1.942 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.654 1.026 2.575 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.609 0.010 0.490 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.398 1.519 1.892 1.00 0.00 C ATOM 0 H ILE A 111 -5.152 1.265 2.787 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.890 -1.592 2.248 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.478 -1.020 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.406 1.815 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.434 0.829 3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.729 0.345 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -3.984 -0.913 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.382 0.777 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -1.040 2.418 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.630 0.747 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.617 1.748 0.849 1.00 0.00 H new ATOM 805 N CYS A 112 -3.253 -2.141 4.260 1.00 0.00 N ATOM 806 CA CYS A 112 -2.765 -2.594 5.553 1.00 0.00 C ATOM 807 C CYS A 112 -1.494 -1.846 5.933 1.00 0.00 C ATOM 808 O CYS A 112 -0.871 -1.198 5.091 1.00 0.00 O ATOM 809 CB CYS A 112 -2.495 -4.099 5.514 1.00 0.00 C ATOM 810 SG CYS A 112 -1.404 -4.613 4.168 1.00 0.00 S ATOM 0 H CYS A 112 -2.939 -2.704 3.469 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.528 -2.389 6.304 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -2.053 -4.404 6.463 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.444 -4.626 5.420 1.00 0.00 H new ATOM 815 N ASP A 113 -1.117 -1.927 7.203 1.00 0.00 N ATOM 816 CA ASP A 113 0.088 -1.261 7.680 1.00 0.00 C ATOM 817 C ASP A 113 1.323 -1.848 7.005 1.00 0.00 C ATOM 818 O ASP A 113 2.273 -1.131 6.688 1.00 0.00 O ATOM 819 CB ASP A 113 0.209 -1.396 9.199 1.00 0.00 C ATOM 820 CG ASP A 113 -0.528 -0.301 9.942 1.00 0.00 C ATOM 821 OD1 ASP A 113 -1.775 -0.288 9.900 1.00 0.00 O ATOM 822 OD2 ASP A 113 0.144 0.547 10.566 1.00 0.00 O ATOM 0 H ASP A 113 -1.626 -2.445 7.919 1.00 0.00 H new ATOM 0 HA ASP A 113 0.018 -0.203 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.183 -2.366 9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.262 -1.375 9.479 1.00 0.00 H new ATOM 827 N TYR A 114 1.292 -3.157 6.782 1.00 0.00 N ATOM 828 CA TYR A 114 2.400 -3.861 6.147 1.00 0.00 C ATOM 829 C TYR A 114 2.834 -3.166 4.858 1.00 0.00 C ATOM 830 O TYR A 114 3.968 -2.702 4.744 1.00 0.00 O ATOM 831 CB TYR A 114 1.989 -5.310 5.856 1.00 0.00 C ATOM 832 CG TYR A 114 2.924 -6.054 4.925 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.210 -6.394 5.322 1.00 0.00 C ATOM 834 CD2 TYR A 114 2.512 -6.418 3.648 1.00 0.00 C ATOM 835 CE1 TYR A 114 5.061 -7.076 4.472 1.00 0.00 C ATOM 836 CE2 TYR A 114 3.357 -7.098 2.793 1.00 0.00 C ATOM 837 CZ TYR A 114 4.630 -7.425 3.209 1.00 0.00 C ATOM 838 OH TYR A 114 5.473 -8.105 2.361 1.00 0.00 O ATOM 0 H TYR A 114 0.506 -3.756 7.034 1.00 0.00 H new ATOM 0 HA TYR A 114 3.249 -3.853 6.830 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.928 -5.853 6.799 1.00 0.00 H new ATOM 0 HB3 TYR A 114 0.989 -5.310 5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.551 -6.122 6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 114 1.515 -6.165 3.319 1.00 0.00 H new ATOM 0 HE1 TYR A 114 6.059 -7.334 4.795 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.022 -7.372 1.803 1.00 0.00 H new ATOM 0 HH TYR A 114 5.021 -8.261 1.506 1.00 0.00 H new ATOM 848 N HIS A 115 1.924 -3.092 3.893 1.00 0.00 N ATOM 849 CA HIS A 115 2.225 -2.469 2.611 1.00 0.00 C ATOM 850 C HIS A 115 2.560 -0.989 2.772 1.00 0.00 C ATOM 851 O HIS A 115 3.400 -0.458 2.046 1.00 0.00 O ATOM 852 CB HIS A 115 1.060 -2.654 1.637 1.00 0.00 C ATOM 853 CG HIS A 115 1.094 -3.968 0.919 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.019 -4.825 0.929 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.091 -4.519 0.183 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.381 -5.868 0.205 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.629 -5.729 -0.267 1.00 0.00 N ATOM 0 H HIS A 115 0.974 -3.455 3.974 1.00 0.00 H new ATOM 0 HA HIS A 115 3.105 -2.964 2.201 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.121 -2.570 2.184 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.075 -1.847 0.905 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.062 -4.088 -0.011 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.248 -6.725 0.016 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.137 -6.395 -0.849 1.00 0.00 H new ATOM 865 N LYS A 116 1.909 -0.324 3.721 1.00 0.00 N ATOM 866 CA LYS A 116 2.171 1.091 3.954 1.00 0.00 C ATOM 867 C LYS A 116 3.646 1.308 4.270 1.00 0.00 C ATOM 868 O LYS A 116 4.315 2.116 3.633 1.00 0.00 O ATOM 869 CB LYS A 116 1.318 1.626 5.107 1.00 0.00 C ATOM 870 CG LYS A 116 1.395 3.139 5.259 1.00 0.00 C ATOM 871 CD LYS A 116 0.958 3.593 6.644 1.00 0.00 C ATOM 872 CE LYS A 116 2.013 3.280 7.694 1.00 0.00 C ATOM 873 NZ LYS A 116 3.349 3.823 7.321 1.00 0.00 N ATOM 0 H LYS A 116 1.205 -0.736 4.334 1.00 0.00 H new ATOM 0 HA LYS A 116 1.909 1.634 3.046 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.280 1.336 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.640 1.157 6.037 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.417 3.471 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.765 3.612 4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.763 4.665 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.022 3.102 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 116 1.706 3.699 8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.084 2.200 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.842 4.150 8.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.910 3.078 6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.229 4.621 6.665 1.00 0.00 H new ATOM 887 N ASN A 117 4.143 0.565 5.251 1.00 0.00 N ATOM 888 CA ASN A 117 5.537 0.668 5.672 1.00 0.00 C ATOM 889 C ASN A 117 6.485 0.190 4.574 1.00 0.00 C ATOM 890 O ASN A 117 7.555 0.763 4.368 1.00 0.00 O ATOM 891 CB ASN A 117 5.756 -0.165 6.937 1.00 0.00 C ATOM 892 CG ASN A 117 7.006 0.237 7.693 1.00 0.00 C ATOM 893 OD1 ASN A 117 7.885 0.907 7.152 1.00 0.00 O ATOM 894 ND2 ASN A 117 7.097 -0.182 8.950 1.00 0.00 N ATOM 0 H ASN A 117 3.598 -0.120 5.774 1.00 0.00 H new ATOM 0 HA ASN A 117 5.753 1.717 5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.891 -0.059 7.591 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.823 -1.219 6.666 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.920 0.050 9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.344 -0.736 9.359 1.00 0.00 H new ATOM 901 N LEU A 118 6.080 -0.861 3.873 1.00 0.00 N ATOM 902 CA LEU A 118 6.891 -1.441 2.806 1.00 0.00 C ATOM 903 C LEU A 118 7.153 -0.440 1.679 1.00 0.00 C ATOM 904 O LEU A 118 8.273 -0.332 1.181 1.00 0.00 O ATOM 905 CB LEU A 118 6.184 -2.683 2.249 1.00 0.00 C ATOM 906 CG LEU A 118 7.051 -3.626 1.410 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.372 -4.981 1.267 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.327 -3.028 0.039 1.00 0.00 C ATOM 0 H LEU A 118 5.189 -1.333 4.024 1.00 0.00 H new ATOM 0 HA LEU A 118 7.857 -1.717 3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.771 -3.248 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.342 -2.355 1.639 1.00 0.00 H new ATOM 0 HG LEU A 118 8.003 -3.762 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.000 -5.641 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.223 -5.419 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.407 -4.854 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 118 7.945 -3.715 -0.540 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.384 -2.861 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 118 7.851 -2.079 0.155 1.00 0.00 H new ATOM 920 N ILE A 119 6.122 0.306 1.297 1.00 0.00 N ATOM 921 CA ILE A 119 6.231 1.266 0.199 1.00 0.00 C ATOM 922 C ILE A 119 6.727 2.644 0.643 1.00 0.00 C ATOM 923 O ILE A 119 7.666 3.186 0.062 1.00 0.00 O ATOM 924 CB ILE A 119 4.870 1.424 -0.507 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.401 0.067 -1.021 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.956 2.433 -1.644 1.00 0.00 C ATOM 927 CD1 ILE A 119 3.042 0.102 -1.686 1.00 0.00 C ATOM 0 H ILE A 119 5.200 0.266 1.731 1.00 0.00 H new ATOM 0 HA ILE A 119 6.975 0.859 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 119 4.144 1.803 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 119 5.133 -0.315 -1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.370 -0.635 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.982 2.524 -2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.258 3.403 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.691 2.095 -2.375 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.777 -0.899 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.297 0.452 -0.972 1.00 0.00 H new ATOM 0 HD13 ILE A 119 3.072 0.778 -2.540 1.00 0.00 H new ATOM 939 N GLN A 120 6.095 3.206 1.661 1.00 0.00 N ATOM 940 CA GLN A 120 6.452 4.538 2.146 1.00 0.00 C ATOM 941 C GLN A 120 7.907 4.657 2.590 1.00 0.00 C ATOM 942 O GLN A 120 8.574 5.644 2.276 1.00 0.00 O ATOM 943 CB GLN A 120 5.553 4.940 3.316 1.00 0.00 C ATOM 944 CG GLN A 120 4.346 5.744 2.904 1.00 0.00 C ATOM 945 CD GLN A 120 4.260 7.066 3.639 1.00 0.00 C ATOM 946 OE1 GLN A 120 5.269 7.592 4.111 1.00 0.00 O ATOM 947 NE2 GLN A 120 3.057 7.619 3.728 1.00 0.00 N ATOM 0 H GLN A 120 5.331 2.763 2.171 1.00 0.00 H new ATOM 0 HA GLN A 120 6.310 5.207 1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.220 4.040 3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.138 5.519 4.030 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.384 5.929 1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.443 5.164 3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 120 2.248 7.148 3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 120 2.941 8.515 4.202 1.00 0.00 H new ATOM 956 N SER A 121 8.406 3.650 3.291 1.00 0.00 N ATOM 957 CA SER A 121 9.752 3.695 3.841 1.00 0.00 C ATOM 958 C SER A 121 10.867 3.378 2.837 1.00 0.00 C ATOM 959 O SER A 121 11.935 2.914 3.235 1.00 0.00 O ATOM 960 CB SER A 121 9.821 2.737 5.019 1.00 0.00 C ATOM 961 OG SER A 121 8.970 3.164 6.069 1.00 0.00 O ATOM 0 H SER A 121 7.897 2.789 3.493 1.00 0.00 H new ATOM 0 HA SER A 121 9.933 4.725 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.533 1.736 4.696 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.847 2.672 5.381 1.00 0.00 H new ATOM 0 HG SER A 121 8.679 2.387 6.591 1.00 0.00 H new ATOM 967 N VAL A 122 10.643 3.633 1.553 1.00 0.00 N ATOM 968 CA VAL A 122 11.677 3.388 0.555 1.00 0.00 C ATOM 969 C VAL A 122 12.377 4.694 0.186 1.00 0.00 C ATOM 970 O VAL A 122 13.520 4.692 -0.272 1.00 0.00 O ATOM 971 CB VAL A 122 11.112 2.706 -0.706 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.197 2.540 -1.763 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.507 1.358 -0.341 1.00 0.00 C ATOM 0 H VAL A 122 9.768 4.004 1.182 1.00 0.00 H new ATOM 0 HA VAL A 122 12.403 2.705 0.996 1.00 0.00 H new ATOM 0 HB VAL A 122 10.330 3.340 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.776 2.056 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.589 3.519 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.004 1.926 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.110 0.883 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.275 0.721 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.702 1.504 0.379 1.00 0.00 H new ATOM 983 N ARG A 123 11.680 5.807 0.390 1.00 0.00 N ATOM 984 CA ARG A 123 12.242 7.124 0.117 1.00 0.00 C ATOM 985 C ARG A 123 12.826 7.722 1.399 1.00 0.00 C ATOM 986 O ARG A 123 13.584 8.692 1.355 1.00 0.00 O ATOM 987 CB ARG A 123 11.176 8.064 -0.454 1.00 0.00 C ATOM 988 CG ARG A 123 10.076 7.353 -1.227 1.00 0.00 C ATOM 989 CD ARG A 123 9.563 8.204 -2.376 1.00 0.00 C ATOM 990 NE ARG A 123 9.524 9.628 -2.027 1.00 0.00 N ATOM 991 CZ ARG A 123 10.218 10.591 -2.649 1.00 0.00 C ATOM 992 NH1 ARG A 123 11.010 10.320 -3.684 1.00 0.00 N ATOM 993 NH2 ARG A 123 10.113 11.844 -2.229 1.00 0.00 N ATOM 0 H ARG A 123 10.724 5.823 0.744 1.00 0.00 H new ATOM 0 HA ARG A 123 13.035 7.010 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 123 10.726 8.626 0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 123 11.658 8.788 -1.111 1.00 0.00 H new ATOM 0 HG2 ARG A 123 10.455 6.407 -1.614 1.00 0.00 H new ATOM 0 HG3 ARG A 123 9.253 7.115 -0.554 1.00 0.00 H new ATOM 0 HD2 ARG A 123 10.202 8.061 -3.247 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.564 7.871 -2.656 1.00 0.00 H new ATOM 0 HE ARG A 123 8.923 9.907 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 123 11.099 9.361 -4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.528 11.071 -4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 123 9.508 12.068 -1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 123 10.637 12.584 -2.696 1.00 0.00 H new ATOM 1007 N ASN A 124 12.455 7.138 2.542 1.00 0.00 N ATOM 1008 CA ASN A 124 12.937 7.592 3.838 1.00 0.00 C ATOM 1009 C ASN A 124 13.003 6.413 4.809 1.00 0.00 C ATOM 1010 O ASN A 124 12.011 6.067 5.450 1.00 0.00 O ATOM 1011 CB ASN A 124 12.013 8.681 4.389 1.00 0.00 C ATOM 1012 CG ASN A 124 12.778 9.834 5.004 1.00 0.00 C ATOM 1013 OD1 ASN A 124 13.899 10.140 4.596 1.00 0.00 O ATOM 1014 ND2 ASN A 124 12.174 10.485 5.990 1.00 0.00 N ATOM 0 H ASN A 124 11.817 6.344 2.589 1.00 0.00 H new ATOM 0 HA ASN A 124 13.937 8.009 3.721 1.00 0.00 H new ATOM 0 HB2 ASN A 124 11.380 9.057 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 124 11.352 8.247 5.139 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.639 11.273 6.441 1.00 0.00 H new ATOM 0 HD22 ASN A 124 11.245 10.198 6.297 1.00 0.00 H new ATOM 1021 N ARG A 125 14.177 5.796 4.901 1.00 0.00 N ATOM 1022 CA ARG A 125 14.381 4.642 5.774 1.00 0.00 C ATOM 1023 C ARG A 125 14.281 5.019 7.250 1.00 0.00 C ATOM 1024 O ARG A 125 13.906 6.140 7.595 1.00 0.00 O ATOM 1025 CB ARG A 125 15.748 4.016 5.490 1.00 0.00 C ATOM 1026 CG ARG A 125 15.763 3.106 4.274 1.00 0.00 C ATOM 1027 CD ARG A 125 17.023 3.313 3.454 1.00 0.00 C ATOM 1028 NE ARG A 125 18.226 3.266 4.286 1.00 0.00 N ATOM 1029 CZ ARG A 125 19.308 4.020 4.086 1.00 0.00 C ATOM 1030 NH1 ARG A 125 19.370 4.873 3.069 1.00 0.00 N ATOM 1031 NH2 ARG A 125 20.343 3.915 4.910 1.00 0.00 N ATOM 0 H ARG A 125 15.007 6.077 4.379 1.00 0.00 H new ATOM 0 HA ARG A 125 13.591 3.922 5.563 1.00 0.00 H new ATOM 0 HB2 ARG A 125 16.479 4.812 5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 125 16.065 3.446 6.363 1.00 0.00 H new ATOM 0 HG2 ARG A 125 15.700 2.066 4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 125 14.887 3.304 3.657 1.00 0.00 H new ATOM 0 HD2 ARG A 125 17.085 2.546 2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 125 16.971 4.275 2.944 1.00 0.00 H new ATOM 0 HE ARG A 125 18.238 2.614 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.582 4.959 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 125 20.205 5.442 2.931 1.00 0.00 H new ATOM 0 HH21 ARG A 125 20.308 3.260 5.691 1.00 0.00 H new ATOM 0 HH22 ARG A 125 21.173 4.489 4.762 1.00 0.00 H new ATOM 1045 N ARG A 126 14.600 4.057 8.116 1.00 0.00 N ATOM 1046 CA ARG A 126 14.568 4.272 9.556 1.00 0.00 C ATOM 1047 C ARG A 126 15.906 4.814 10.046 1.00 0.00 C ATOM 1048 O ARG A 126 16.959 4.241 9.765 1.00 0.00 O ATOM 1049 CB ARG A 126 14.244 2.960 10.276 1.00 0.00 C ATOM 1050 CG ARG A 126 14.267 3.072 11.792 1.00 0.00 C ATOM 1051 CD ARG A 126 13.795 1.787 12.454 1.00 0.00 C ATOM 1052 NE ARG A 126 14.880 1.088 13.140 1.00 0.00 N ATOM 1053 CZ ARG A 126 14.708 -0.026 13.847 1.00 0.00 C ATOM 1054 NH1 ARG A 126 13.503 -0.568 13.952 1.00 0.00 N ATOM 1055 NH2 ARG A 126 15.742 -0.599 14.448 1.00 0.00 N ATOM 0 H ARG A 126 14.885 3.117 7.839 1.00 0.00 H new ATOM 0 HA ARG A 126 13.792 5.004 9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 126 13.259 2.617 9.961 1.00 0.00 H new ATOM 0 HB3 ARG A 126 14.961 2.199 9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.279 3.304 12.125 1.00 0.00 H new ATOM 0 HG3 ARG A 126 13.631 3.899 12.106 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.005 2.018 13.168 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.361 1.130 11.700 1.00 0.00 H new ATOM 0 HE ARG A 126 15.821 1.476 13.073 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.705 -0.131 13.490 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.373 -1.422 14.494 1.00 0.00 H new ATOM 0 HH21 ARG A 126 16.671 -0.186 14.369 1.00 0.00 H new ATOM 0 HH22 ARG A 126 15.608 -1.453 14.990 1.00 0.00 H new ATOM 1069 N LYS A 127 15.862 5.919 10.779 1.00 0.00 N ATOM 1070 CA LYS A 127 17.076 6.525 11.305 1.00 0.00 C ATOM 1071 C LYS A 127 16.803 7.251 12.616 1.00 0.00 C ATOM 1072 O LYS A 127 15.664 7.606 12.920 1.00 0.00 O ATOM 1073 CB LYS A 127 17.673 7.494 10.281 1.00 0.00 C ATOM 1074 CG LYS A 127 19.141 7.802 10.521 1.00 0.00 C ATOM 1075 CD LYS A 127 19.884 8.007 9.211 1.00 0.00 C ATOM 1076 CE LYS A 127 21.370 8.229 9.441 1.00 0.00 C ATOM 1077 NZ LYS A 127 21.623 9.354 10.382 1.00 0.00 N ATOM 0 H LYS A 127 15.002 6.411 11.021 1.00 0.00 H new ATOM 0 HA LYS A 127 17.793 5.728 11.500 1.00 0.00 H new ATOM 0 HB2 LYS A 127 17.557 7.072 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 127 17.107 8.425 10.301 1.00 0.00 H new ATOM 0 HG2 LYS A 127 19.231 8.697 11.136 1.00 0.00 H new ATOM 0 HG3 LYS A 127 19.600 6.985 11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 127 19.740 7.137 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 127 19.464 8.864 8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 127 21.816 7.317 9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 127 21.858 8.435 8.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 22.447 9.899 10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 20.789 9.974 10.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 21.810 8.976 11.333 1.00 0.00 H new ATOM 1091 N ARG A 128 17.860 7.458 13.390 1.00 0.00 N ATOM 1092 CA ARG A 128 17.755 8.146 14.668 1.00 0.00 C ATOM 1093 C ARG A 128 18.767 9.282 14.737 1.00 0.00 C ATOM 1094 O ARG A 128 19.895 9.146 14.264 1.00 0.00 O ATOM 1095 CB ARG A 128 17.984 7.161 15.818 1.00 0.00 C ATOM 1096 CG ARG A 128 16.959 6.040 15.865 1.00 0.00 C ATOM 1097 CD ARG A 128 17.582 4.720 16.291 1.00 0.00 C ATOM 1098 NE ARG A 128 17.970 4.721 17.700 1.00 0.00 N ATOM 1099 CZ ARG A 128 17.965 3.637 18.479 1.00 0.00 C ATOM 1100 NH1 ARG A 128 17.600 2.454 17.994 1.00 0.00 N ATOM 1101 NH2 ARG A 128 18.333 3.734 19.748 1.00 0.00 N ATOM 0 H ARG A 128 18.805 7.157 13.152 1.00 0.00 H new ATOM 0 HA ARG A 128 16.753 8.565 14.761 1.00 0.00 H new ATOM 0 HB2 ARG A 128 18.980 6.729 15.724 1.00 0.00 H new ATOM 0 HB3 ARG A 128 17.961 7.705 16.762 1.00 0.00 H new ATOM 0 HG2 ARG A 128 16.162 6.306 16.559 1.00 0.00 H new ATOM 0 HG3 ARG A 128 16.501 5.925 14.882 1.00 0.00 H new ATOM 0 HD2 ARG A 128 16.873 3.911 16.112 1.00 0.00 H new ATOM 0 HD3 ARG A 128 18.458 4.518 15.675 1.00 0.00 H new ATOM 0 HE ARG A 128 18.263 5.606 18.114 1.00 0.00 H new ATOM 0 HH11 ARG A 128 17.320 2.368 17.017 1.00 0.00 H new ATOM 0 HH12 ARG A 128 17.600 1.633 18.599 1.00 0.00 H new ATOM 0 HH21 ARG A 128 18.620 4.636 20.128 1.00 0.00 H new ATOM 0 HH22 ARG A 128 18.330 2.907 20.345 1.00 0.00 H new ATOM 1115 N LYS A 129 18.359 10.403 15.314 1.00 0.00 N ATOM 1116 CA LYS A 129 19.242 11.560 15.438 1.00 0.00 C ATOM 1117 C LYS A 129 20.125 11.427 16.673 1.00 0.00 C ATOM 1118 O LYS A 129 21.212 12.000 16.739 1.00 0.00 O ATOM 1119 CB LYS A 129 18.450 12.877 15.512 1.00 0.00 C ATOM 1120 CG LYS A 129 16.982 12.761 15.126 1.00 0.00 C ATOM 1121 CD LYS A 129 16.109 12.471 16.339 1.00 0.00 C ATOM 1122 CE LYS A 129 14.666 12.219 15.937 1.00 0.00 C ATOM 1123 NZ LYS A 129 14.562 11.227 14.831 1.00 0.00 N ATOM 0 H LYS A 129 17.426 10.539 15.703 1.00 0.00 H new ATOM 0 HA LYS A 129 19.866 11.587 14.544 1.00 0.00 H new ATOM 0 HB2 LYS A 129 18.514 13.267 16.528 1.00 0.00 H new ATOM 0 HB3 LYS A 129 18.926 13.608 14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 129 16.654 13.687 14.653 1.00 0.00 H new ATOM 0 HG3 LYS A 129 16.860 11.967 14.390 1.00 0.00 H new ATOM 0 HD2 LYS A 129 16.498 11.601 16.869 1.00 0.00 H new ATOM 0 HD3 LYS A 129 16.154 13.312 17.031 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.106 11.860 16.801 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.206 13.158 15.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 13.688 10.674 14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.543 11.725 13.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.382 10.588 14.859 1.00 0.00 H new ATOM 1137 N GLY A 130 19.646 10.664 17.651 1.00 0.00 N ATOM 1138 CA GLY A 130 20.394 10.463 18.875 1.00 0.00 C ATOM 1139 C GLY A 130 19.497 10.078 20.033 1.00 0.00 C ATOM 1140 O GLY A 130 19.843 9.207 20.831 1.00 0.00 O ATOM 0 H GLY A 130 18.749 10.180 17.615 1.00 0.00 H new ATOM 0 HA2 GLY A 130 21.140 9.683 18.720 1.00 0.00 H new ATOM 0 HA3 GLY A 130 20.934 11.376 19.123 1.00 0.00 H new ATOM 1144 N SER A 131 18.342 10.729 20.119 1.00 0.00 N ATOM 1145 CA SER A 131 17.379 10.458 21.182 1.00 0.00 C ATOM 1146 C SER A 131 18.012 10.653 22.556 1.00 0.00 C ATOM 1147 O SER A 131 18.516 9.660 23.121 1.00 0.00 O ATOM 1148 CB SER A 131 16.828 9.036 21.056 1.00 0.00 C ATOM 1149 OG SER A 131 17.797 8.073 21.435 1.00 0.00 O ATOM 1150 OXT SER A 131 17.998 11.798 23.055 1.00 0.00 O ATOM 0 H SER A 131 18.048 11.452 19.462 1.00 0.00 H new ATOM 0 HA SER A 131 16.557 11.166 21.078 1.00 0.00 H new ATOM 0 HB2 SER A 131 15.942 8.930 21.682 1.00 0.00 H new ATOM 0 HB3 SER A 131 16.515 8.855 20.028 1.00 0.00 H new ATOM 0 HG SER A 131 18.608 8.529 21.743 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.378 -5.590 2.081 1.00 0.00 ZN