USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 621 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 69 ASN : amide:sc= 1.98 K(o=1.8,f=-7.4!) USER MOD Set 1.2: A 93 HIS : no HD1:sc= -0.23 X(o=1.8,f=1.9) USER MOD Set 2.1: A 20 LYS NZ :NH3+ -171:sc= 0.652 (180deg=0) USER MOD Set 2.2: A 88 THR OG1 : rot -112:sc= 1.89 USER MOD Set 3.1: A 78 HIS : no HE2:sc= -0.173 K(o=1.1,f=-5.3!) USER MOD Set 3.2: B 208 THR OG1 : rot 102:sc= 1.23 USER MOD Set 4.1: A 28 SER OG : rot 180:sc=0.000673 USER MOD Set 4.2: B 209 SER OG : rot -24:sc=0.000283 USER MOD Single : A 13 THR OG1 : rot -21:sc= 0.0678 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.873! C(o=-0.87!,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -81:sc= 0.491 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 84 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 87 ASN : amide:sc=-0.00323 K(o=-0.0032,f=-0.89) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 13 -7.028 -7.553 -6.298 1.00 0.00 N ATOM 74 CA THR A 13 -6.184 -6.398 -6.272 1.00 0.00 C ATOM 75 C THR A 13 -6.929 -5.112 -6.364 1.00 0.00 C ATOM 76 O THR A 13 -7.921 -4.972 -7.078 1.00 0.00 O ATOM 77 CB THR A 13 -5.087 -6.374 -7.295 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.557 -6.670 -8.601 1.00 0.00 O ATOM 79 CG2 THR A 13 -4.026 -7.420 -6.915 1.00 0.00 C ATOM 0 HA THR A 13 -5.721 -6.491 -5.290 1.00 0.00 H new ATOM 0 HB THR A 13 -4.672 -5.366 -7.305 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.408 -7.153 -8.541 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.224 -7.410 -7.653 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.618 -7.184 -5.932 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.483 -8.409 -6.889 1.00 0.00 H new ATOM 87 N PHE A 14 -6.451 -4.106 -5.610 1.00 0.00 N ATOM 88 CA PHE A 14 -6.990 -2.783 -5.555 1.00 0.00 C ATOM 89 C PHE A 14 -5.850 -1.828 -5.475 1.00 0.00 C ATOM 90 O PHE A 14 -5.038 -1.911 -4.555 1.00 0.00 O ATOM 91 CB PHE A 14 -8.066 -2.504 -4.493 1.00 0.00 C ATOM 92 CG PHE A 14 -7.893 -3.013 -3.103 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.577 -4.322 -2.819 1.00 0.00 C ATOM 94 CD2 PHE A 14 -8.169 -2.180 -2.044 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.425 -4.765 -1.527 1.00 0.00 C ATOM 96 CE2 PHE A 14 -8.012 -2.606 -0.746 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.634 -3.901 -0.478 1.00 0.00 C ATOM 0 H PHE A 14 -5.640 -4.224 -5.003 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.565 -2.650 -6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.185 -1.422 -4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.006 -2.907 -4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.445 -5.019 -3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.515 -1.175 -2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.142 -5.790 -1.336 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.187 -1.919 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.503 -4.234 0.541 1.00 0.00 H new ATOM 107 N GLU A 15 -5.713 -0.918 -6.457 1.00 0.00 N ATOM 108 CA GLU A 15 -4.636 0.017 -6.552 1.00 0.00 C ATOM 109 C GLU A 15 -5.038 1.358 -6.042 1.00 0.00 C ATOM 110 O GLU A 15 -5.144 2.340 -6.776 1.00 0.00 O ATOM 111 CB GLU A 15 -4.046 0.103 -7.969 1.00 0.00 C ATOM 112 CG GLU A 15 -4.233 -1.145 -8.834 1.00 0.00 C ATOM 113 CD GLU A 15 -5.534 -1.076 -9.622 1.00 0.00 C ATOM 114 OE1 GLU A 15 -5.593 -0.260 -10.580 1.00 0.00 O ATOM 115 OE2 GLU A 15 -6.503 -1.813 -9.298 1.00 0.00 O ATOM 0 H GLU A 15 -6.385 -0.831 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.838 -0.360 -5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.499 0.951 -8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.979 0.312 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.393 -1.244 -9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.234 -2.033 -8.202 1.00 0.00 H new ATOM 122 N VAL A 16 -5.295 1.449 -4.725 1.00 0.00 N ATOM 123 CA VAL A 16 -5.901 2.547 -4.038 1.00 0.00 C ATOM 124 C VAL A 16 -5.086 3.793 -4.029 1.00 0.00 C ATOM 125 O VAL A 16 -4.049 3.846 -3.368 1.00 0.00 O ATOM 126 CB VAL A 16 -6.147 2.119 -2.621 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.763 3.246 -1.775 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.071 0.890 -2.589 1.00 0.00 C ATOM 0 H VAL A 16 -5.058 0.688 -4.088 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.819 2.793 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.179 1.866 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.924 2.891 -0.757 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.086 4.100 -1.759 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.717 3.547 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.241 0.590 -1.555 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.024 1.139 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.604 0.069 -3.133 1.00 0.00 H new ATOM 138 N GLU A 17 -5.489 4.869 -4.726 1.00 0.00 N ATOM 139 CA GLU A 17 -4.693 6.052 -4.835 1.00 0.00 C ATOM 140 C GLU A 17 -5.072 7.098 -3.844 1.00 0.00 C ATOM 141 O GLU A 17 -6.154 7.681 -3.851 1.00 0.00 O ATOM 142 CB GLU A 17 -4.487 6.583 -6.264 1.00 0.00 C ATOM 143 CG GLU A 17 -5.589 7.396 -6.947 1.00 0.00 C ATOM 144 CD GLU A 17 -6.338 6.633 -8.030 1.00 0.00 C ATOM 145 OE1 GLU A 17 -5.749 6.389 -9.116 1.00 0.00 O ATOM 146 OE2 GLU A 17 -7.540 6.310 -7.838 1.00 0.00 O ATOM 0 H GLU A 17 -6.379 4.920 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.691 5.726 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.589 7.200 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.276 5.724 -6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.302 7.729 -6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.148 8.291 -7.386 1.00 0.00 H new ATOM 153 N LEU A 18 -4.151 7.340 -2.894 1.00 0.00 N ATOM 154 CA LEU A 18 -4.336 8.235 -1.795 1.00 0.00 C ATOM 155 C LEU A 18 -3.326 9.323 -1.913 1.00 0.00 C ATOM 156 O LEU A 18 -2.302 9.167 -2.579 1.00 0.00 O ATOM 157 CB LEU A 18 -4.136 7.500 -0.458 1.00 0.00 C ATOM 158 CG LEU A 18 -4.968 6.212 -0.345 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.621 5.431 0.935 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.478 6.467 -0.491 1.00 0.00 C ATOM 0 H LEU A 18 -3.235 6.891 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.349 8.638 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.081 7.255 -0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.401 8.169 0.360 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.694 5.580 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.227 4.526 0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.565 5.161 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.825 6.052 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.017 5.523 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.809 7.148 0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.680 6.910 -1.466 1.00 0.00 H new ATOM 172 N ALA A 19 -3.562 10.473 -1.257 1.00 0.00 N ATOM 173 CA ALA A 19 -2.701 11.612 -1.325 1.00 0.00 C ATOM 174 C ALA A 19 -2.169 11.965 0.022 1.00 0.00 C ATOM 175 O ALA A 19 -1.784 13.099 0.302 1.00 0.00 O ATOM 176 CB ALA A 19 -3.445 12.791 -1.974 1.00 0.00 C ATOM 0 H ALA A 19 -4.377 10.615 -0.661 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.841 11.368 -1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.784 13.656 -2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.756 12.515 -2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.323 13.039 -1.378 1.00 0.00 H new ATOM 182 N LYS A 20 -2.139 10.955 0.910 1.00 0.00 N ATOM 183 CA LYS A 20 -1.856 10.997 2.310 1.00 0.00 C ATOM 184 C LYS A 20 -2.666 11.986 3.075 1.00 0.00 C ATOM 185 O LYS A 20 -3.538 12.678 2.551 1.00 0.00 O ATOM 186 CB LYS A 20 -0.354 11.176 2.592 1.00 0.00 C ATOM 187 CG LYS A 20 0.604 10.394 1.690 1.00 0.00 C ATOM 188 CD LYS A 20 1.946 11.105 1.508 1.00 0.00 C ATOM 189 CE LYS A 20 2.905 10.304 0.626 1.00 0.00 C ATOM 190 NZ LYS A 20 4.196 10.993 0.409 1.00 0.00 N ATOM 0 H LYS A 20 -2.336 10.001 0.607 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.162 10.018 2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.114 12.236 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.163 10.887 3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.775 9.406 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.140 10.245 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.779 12.086 1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.404 11.271 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.089 9.333 1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.433 10.115 -0.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.745 10.483 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.020 11.966 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.732 11.015 1.300 1.00 0.00 H new ATOM 204 N THR A 21 -2.440 12.099 4.396 1.00 0.00 N ATOM 205 CA THR A 21 -2.810 13.239 5.177 1.00 0.00 C ATOM 206 C THR A 21 -1.558 13.745 5.807 1.00 0.00 C ATOM 207 O THR A 21 -1.195 13.426 6.939 1.00 0.00 O ATOM 208 CB THR A 21 -3.985 13.028 6.084 1.00 0.00 C ATOM 209 OG1 THR A 21 -4.344 14.215 6.775 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.802 11.898 7.112 1.00 0.00 C ATOM 0 H THR A 21 -1.982 11.369 4.941 1.00 0.00 H new ATOM 0 HA THR A 21 -3.224 14.024 4.544 1.00 0.00 H new ATOM 0 HB THR A 21 -4.785 12.729 5.407 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.114 14.036 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.699 11.815 7.726 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.631 10.956 6.591 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.946 12.121 7.749 1.00 0.00 H new ATOM 218 N ASP A 22 -0.789 14.518 5.020 1.00 0.00 N ATOM 219 CA ASP A 22 0.460 15.123 5.366 1.00 0.00 C ATOM 220 C ASP A 22 1.508 14.180 5.851 1.00 0.00 C ATOM 221 O ASP A 22 1.965 14.232 6.991 1.00 0.00 O ATOM 222 CB ASP A 22 0.217 16.324 6.295 1.00 0.00 C ATOM 223 CG ASP A 22 1.305 17.385 6.218 1.00 0.00 C ATOM 224 OD1 ASP A 22 2.292 17.246 5.448 1.00 0.00 O ATOM 225 OD2 ASP A 22 1.158 18.423 6.917 1.00 0.00 O ATOM 0 H ASP A 22 -1.065 14.737 4.063 1.00 0.00 H new ATOM 0 HA ASP A 22 0.902 15.492 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.741 16.779 6.043 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.141 15.968 7.322 1.00 0.00 H new ATOM 230 N GLY A 23 1.946 13.260 4.974 1.00 0.00 N ATOM 231 CA GLY A 23 2.965 12.301 5.265 1.00 0.00 C ATOM 232 C GLY A 23 2.522 11.143 6.092 1.00 0.00 C ATOM 233 O GLY A 23 3.202 10.786 7.053 1.00 0.00 O ATOM 0 H GLY A 23 1.577 13.181 4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.367 11.924 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.781 12.806 5.781 1.00 0.00 H new ATOM 237 N SER A 24 1.377 10.531 5.743 1.00 0.00 N ATOM 238 CA SER A 24 0.765 9.450 6.453 1.00 0.00 C ATOM 239 C SER A 24 -0.494 9.120 5.728 1.00 0.00 C ATOM 240 O SER A 24 -1.433 9.909 5.647 1.00 0.00 O ATOM 241 CB SER A 24 0.452 9.733 7.932 1.00 0.00 C ATOM 242 OG SER A 24 -0.168 8.634 8.583 1.00 0.00 O ATOM 0 H SER A 24 0.847 10.807 4.916 1.00 0.00 H new ATOM 0 HA SER A 24 1.478 8.626 6.477 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.376 9.984 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.199 10.605 8.001 1.00 0.00 H new ATOM 0 HG SER A 24 -0.344 8.865 9.519 1.00 0.00 H new ATOM 248 N LEU A 25 -0.542 7.917 5.125 1.00 0.00 N ATOM 249 CA LEU A 25 -1.700 7.294 4.565 1.00 0.00 C ATOM 250 C LEU A 25 -2.522 6.783 5.698 1.00 0.00 C ATOM 251 O LEU A 25 -3.750 6.844 5.740 1.00 0.00 O ATOM 252 CB LEU A 25 -1.234 6.077 3.750 1.00 0.00 C ATOM 253 CG LEU A 25 -0.123 6.375 2.728 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.692 5.100 2.453 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.712 7.043 1.474 1.00 0.00 C ATOM 0 H LEU A 25 0.292 7.339 5.023 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.261 7.992 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.879 5.310 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.092 5.660 3.223 1.00 0.00 H new ATOM 0 HG LEU A 25 0.584 7.098 3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.477 5.319 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.143 4.749 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.035 4.327 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.087 7.247 0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.444 6.377 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.196 7.979 1.754 1.00 0.00 H new ATOM 267 N GLY A 26 -1.799 6.268 6.708 1.00 0.00 N ATOM 268 CA GLY A 26 -2.338 5.945 7.993 1.00 0.00 C ATOM 269 C GLY A 26 -2.129 4.511 8.340 1.00 0.00 C ATOM 270 O GLY A 26 -2.753 3.993 9.265 1.00 0.00 O ATOM 0 H GLY A 26 -0.802 6.069 6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.871 6.574 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.404 6.170 8.006 1.00 0.00 H new ATOM 274 N ILE A 27 -1.240 3.821 7.603 1.00 0.00 N ATOM 275 CA ILE A 27 -1.037 2.420 7.801 1.00 0.00 C ATOM 276 C ILE A 27 0.235 2.170 8.535 1.00 0.00 C ATOM 277 O ILE A 27 1.309 2.646 8.169 1.00 0.00 O ATOM 278 CB ILE A 27 -1.178 1.626 6.536 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.252 2.112 5.407 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.664 1.724 6.153 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.179 1.116 4.252 1.00 0.00 C ATOM 0 H ILE A 27 -0.662 4.233 6.870 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.841 2.052 8.438 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.870 0.592 6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.609 3.072 5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.749 2.277 5.806 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.841 1.165 5.234 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.274 1.308 6.954 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.932 2.769 5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.486 1.503 3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.204 0.163 4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.175 0.970 3.834 1.00 0.00 H new ATOM 293 N SER A 28 0.117 1.433 9.653 1.00 0.00 N ATOM 294 CA SER A 28 1.216 0.900 10.397 1.00 0.00 C ATOM 295 C SER A 28 1.756 -0.318 9.730 1.00 0.00 C ATOM 296 O SER A 28 1.119 -1.370 9.731 1.00 0.00 O ATOM 297 CB SER A 28 0.873 0.420 11.818 1.00 0.00 C ATOM 298 OG SER A 28 0.597 1.526 12.665 1.00 0.00 O ATOM 0 H SER A 28 -0.789 1.197 10.058 1.00 0.00 H new ATOM 0 HA SER A 28 1.912 1.737 10.446 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.009 -0.244 11.785 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.704 -0.157 12.223 1.00 0.00 H new ATOM 0 HG SER A 28 0.379 1.203 13.564 1.00 0.00 H new ATOM 304 N VAL A 29 2.963 -0.214 9.146 1.00 0.00 N ATOM 305 CA VAL A 29 3.508 -1.273 8.357 1.00 0.00 C ATOM 306 C VAL A 29 4.176 -2.361 9.126 1.00 0.00 C ATOM 307 O VAL A 29 5.054 -2.134 9.957 1.00 0.00 O ATOM 308 CB VAL A 29 4.390 -0.728 7.272 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.496 0.008 6.260 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.468 0.209 7.844 1.00 0.00 C ATOM 0 H VAL A 29 3.563 0.607 9.221 1.00 0.00 H new ATOM 0 HA VAL A 29 2.648 -1.765 7.903 1.00 0.00 H new ATOM 0 HB VAL A 29 4.918 -1.545 6.780 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.113 0.415 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.770 -0.689 5.841 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.971 0.820 6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.090 0.587 7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.990 1.045 8.354 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.089 -0.340 8.552 1.00 0.00 H new ATOM 320 N THR A 30 3.763 -3.615 8.869 1.00 0.00 N ATOM 321 CA THR A 30 4.329 -4.805 9.426 1.00 0.00 C ATOM 322 C THR A 30 4.733 -5.744 8.343 1.00 0.00 C ATOM 323 O THR A 30 4.395 -5.575 7.172 1.00 0.00 O ATOM 324 CB THR A 30 3.467 -5.498 10.440 1.00 0.00 C ATOM 325 OG1 THR A 30 4.155 -6.502 11.170 1.00 0.00 O ATOM 326 CG2 THR A 30 2.219 -6.141 9.813 1.00 0.00 C ATOM 0 H THR A 30 2.988 -3.809 8.235 1.00 0.00 H new ATOM 0 HA THR A 30 5.208 -4.477 9.981 1.00 0.00 H new ATOM 0 HB THR A 30 3.170 -4.702 11.123 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.543 -6.915 11.814 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.631 -6.628 10.591 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.616 -5.371 9.331 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.524 -6.880 9.072 1.00 0.00 H new ATOM 334 N GLY A 31 5.503 -6.785 8.708 1.00 0.00 N ATOM 335 CA GLY A 31 6.055 -7.762 7.822 1.00 0.00 C ATOM 336 C GLY A 31 7.322 -7.318 7.175 1.00 0.00 C ATOM 337 O GLY A 31 8.290 -6.944 7.836 1.00 0.00 O ATOM 0 H GLY A 31 5.755 -6.954 9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.241 -8.682 8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.323 -7.997 7.049 1.00 0.00 H new ATOM 341 N GLY A 32 7.362 -7.366 5.831 1.00 0.00 N ATOM 342 CA GLY A 32 8.512 -7.033 5.050 1.00 0.00 C ATOM 343 C GLY A 32 9.219 -8.281 4.648 1.00 0.00 C ATOM 344 O GLY A 32 8.981 -9.355 5.198 1.00 0.00 O ATOM 0 H GLY A 32 6.561 -7.648 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.213 -6.471 4.165 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.181 -6.392 5.624 1.00 0.00 H new ATOM 348 N VAL A 33 10.171 -8.203 3.701 1.00 0.00 N ATOM 349 CA VAL A 33 10.927 -9.330 3.252 1.00 0.00 C ATOM 350 C VAL A 33 11.744 -9.964 4.324 1.00 0.00 C ATOM 351 O VAL A 33 12.212 -11.096 4.212 1.00 0.00 O ATOM 352 CB VAL A 33 11.754 -8.999 2.044 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.089 -8.329 2.413 1.00 0.00 C ATOM 354 CG2 VAL A 33 11.985 -10.258 1.192 1.00 0.00 C ATOM 0 H VAL A 33 10.422 -7.331 3.235 1.00 0.00 H new ATOM 0 HA VAL A 33 10.193 -10.080 2.958 1.00 0.00 H new ATOM 0 HB VAL A 33 11.193 -8.274 1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.650 -8.110 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.894 -7.402 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.670 -9.000 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.586 -10.002 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.508 -11.008 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.025 -10.658 0.866 1.00 0.00 H new ATOM 467 N GLY A 41 6.765 -7.758 -0.003 1.00 0.00 N ATOM 468 CA GLY A 41 5.526 -7.106 0.284 1.00 0.00 C ATOM 469 C GLY A 41 5.589 -6.539 1.661 1.00 0.00 C ATOM 470 O GLY A 41 6.523 -6.823 2.410 1.00 0.00 O ATOM 0 HA2 GLY A 41 5.339 -6.315 -0.442 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.700 -7.813 0.204 1.00 0.00 H new ATOM 474 N ILE A 42 4.591 -5.720 2.038 1.00 0.00 N ATOM 475 CA ILE A 42 4.427 -5.217 3.366 1.00 0.00 C ATOM 476 C ILE A 42 2.986 -5.415 3.687 1.00 0.00 C ATOM 477 O ILE A 42 2.210 -5.772 2.801 1.00 0.00 O ATOM 478 CB ILE A 42 4.968 -3.824 3.495 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.250 -3.376 4.939 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.142 -2.733 2.792 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.512 -4.003 5.530 1.00 0.00 C ATOM 0 H ILE A 42 3.871 -5.396 1.393 1.00 0.00 H new ATOM 0 HA ILE A 42 5.015 -5.747 4.115 1.00 0.00 H new ATOM 0 HB ILE A 42 5.918 -3.919 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.346 -2.291 4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.396 -3.634 5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.616 -1.763 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.089 -2.948 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.135 -2.714 3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.653 -3.645 6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.410 -5.088 5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.375 -3.723 4.925 1.00 0.00 H new ATOM 493 N TYR A 43 2.538 -5.284 4.948 1.00 0.00 N ATOM 494 CA TYR A 43 1.175 -5.496 5.322 1.00 0.00 C ATOM 495 C TYR A 43 0.796 -4.389 6.244 1.00 0.00 C ATOM 496 O TYR A 43 1.646 -3.827 6.933 1.00 0.00 O ATOM 497 CB TYR A 43 0.964 -6.753 6.182 1.00 0.00 C ATOM 498 CG TYR A 43 1.466 -8.056 5.659 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.815 -8.322 5.620 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.583 -9.082 5.416 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.269 -9.597 5.378 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.029 -10.353 5.141 1.00 0.00 C ATOM 503 CZ TYR A 43 2.378 -10.617 5.138 1.00 0.00 C ATOM 504 OH TYR A 43 2.863 -11.915 4.874 1.00 0.00 O ATOM 0 H TYR A 43 3.140 -5.023 5.729 1.00 0.00 H new ATOM 0 HA TYR A 43 0.607 -5.571 4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.436 -6.578 7.149 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.106 -6.857 6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.523 -7.523 5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.479 -8.886 5.442 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.330 -9.799 5.376 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.322 -11.141 4.928 1.00 0.00 H new ATOM 0 HH TYR A 43 2.108 -12.522 4.726 1.00 0.00 H new ATOM 514 N VAL A 44 -0.502 -4.063 6.370 1.00 0.00 N ATOM 515 CA VAL A 44 -0.987 -3.235 7.431 1.00 0.00 C ATOM 516 C VAL A 44 -1.169 -3.999 8.697 1.00 0.00 C ATOM 517 O VAL A 44 -1.807 -5.051 8.715 1.00 0.00 O ATOM 518 CB VAL A 44 -2.311 -2.611 7.105 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.528 -1.440 8.079 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.374 -2.144 5.641 1.00 0.00 C ATOM 0 H VAL A 44 -1.227 -4.379 5.726 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.227 -2.464 7.556 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.107 -3.347 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.485 -0.964 7.868 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.527 -1.813 9.103 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.726 -0.712 7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.348 -1.697 5.443 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.593 -1.405 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.225 -2.998 4.980 1.00 0.00 H new ATOM 530 N LYS A 45 -0.645 -3.501 9.831 1.00 0.00 N ATOM 531 CA LYS A 45 -0.954 -4.006 11.133 1.00 0.00 C ATOM 532 C LYS A 45 -2.097 -3.291 11.766 1.00 0.00 C ATOM 533 O LYS A 45 -2.931 -3.901 12.433 1.00 0.00 O ATOM 534 CB LYS A 45 0.246 -3.978 12.094 1.00 0.00 C ATOM 535 CG LYS A 45 0.007 -4.839 13.336 1.00 0.00 C ATOM 536 CD LYS A 45 1.278 -5.435 13.944 1.00 0.00 C ATOM 537 CE LYS A 45 0.962 -6.466 15.031 1.00 0.00 C ATOM 538 NZ LYS A 45 2.178 -7.087 15.602 1.00 0.00 N ATOM 0 H LYS A 45 0.014 -2.723 9.843 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.234 -5.046 10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.136 -4.332 11.573 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.443 -2.950 12.398 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.494 -4.234 14.092 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.672 -5.651 13.076 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.870 -5.905 13.159 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.887 -4.636 14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.396 -5.985 15.829 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.324 -7.244 14.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.906 -7.776 16.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.707 -7.571 14.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.777 -6.351 16.027 1.00 0.00 H new ATOM 552 N ALA A 46 -2.197 -1.961 11.591 1.00 0.00 N ATOM 553 CA ALA A 46 -3.245 -1.178 12.168 1.00 0.00 C ATOM 554 C ALA A 46 -3.626 -0.025 11.303 1.00 0.00 C ATOM 555 O ALA A 46 -2.769 0.675 10.765 1.00 0.00 O ATOM 556 CB ALA A 46 -2.835 -0.677 13.563 1.00 0.00 C ATOM 0 H ALA A 46 -1.535 -1.418 11.036 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.118 -1.825 12.258 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.644 -0.083 13.988 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.632 -1.530 14.211 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.938 -0.063 13.480 1.00 0.00 H new ATOM 562 N ILE A 47 -4.943 0.203 11.152 1.00 0.00 N ATOM 563 CA ILE A 47 -5.554 1.286 10.446 1.00 0.00 C ATOM 564 C ILE A 47 -5.904 2.343 11.437 1.00 0.00 C ATOM 565 O ILE A 47 -6.282 2.043 12.569 1.00 0.00 O ATOM 566 CB ILE A 47 -6.804 0.845 9.744 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.576 -0.352 8.805 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.487 1.989 8.974 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.735 0.016 7.583 1.00 0.00 C ATOM 0 H ILE A 47 -5.637 -0.424 11.559 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.857 1.658 9.695 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.472 0.523 10.543 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.081 -1.152 9.355 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.540 -0.740 8.476 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.386 1.613 8.486 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.757 2.785 9.668 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.802 2.381 8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.604 -0.864 6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.241 0.797 7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.760 0.378 7.908 1.00 0.00 H new ATOM 581 N ILE A 48 -5.775 3.631 11.075 1.00 0.00 N ATOM 582 CA ILE A 48 -6.158 4.724 11.914 1.00 0.00 C ATOM 583 C ILE A 48 -7.393 5.425 11.463 1.00 0.00 C ATOM 584 O ILE A 48 -7.600 5.567 10.258 1.00 0.00 O ATOM 585 CB ILE A 48 -5.077 5.755 12.040 1.00 0.00 C ATOM 586 CG1 ILE A 48 -4.699 6.376 10.685 1.00 0.00 C ATOM 587 CG2 ILE A 48 -3.904 5.108 12.795 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.406 7.190 10.731 1.00 0.00 C ATOM 0 H ILE A 48 -5.394 3.921 10.174 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.350 4.252 12.878 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.427 6.612 12.616 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.594 5.582 9.946 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.513 7.019 10.348 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.098 5.833 12.904 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.239 4.786 13.781 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.543 4.245 12.235 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.198 7.599 9.742 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.515 8.006 11.446 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.582 6.546 11.038 1.00 0.00 H new ATOM 643 N ALA A 52 -7.552 8.812 5.340 1.00 0.00 N ATOM 644 CA ALA A 52 -6.875 8.470 4.127 1.00 0.00 C ATOM 645 C ALA A 52 -7.038 7.011 3.874 1.00 0.00 C ATOM 646 O ALA A 52 -7.942 6.608 3.142 1.00 0.00 O ATOM 647 CB ALA A 52 -5.420 8.968 4.154 1.00 0.00 C ATOM 0 HA ALA A 52 -7.321 8.981 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.925 8.697 3.222 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.408 10.052 4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.894 8.509 4.991 1.00 0.00 H new ATOM 653 N ALA A 53 -6.227 6.133 4.490 1.00 0.00 N ATOM 654 CA ALA A 53 -6.306 4.719 4.293 1.00 0.00 C ATOM 655 C ALA A 53 -7.552 4.059 4.772 1.00 0.00 C ATOM 656 O ALA A 53 -8.063 3.140 4.133 1.00 0.00 O ATOM 657 CB ALA A 53 -5.095 4.039 4.956 1.00 0.00 C ATOM 0 H ALA A 53 -5.496 6.414 5.143 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.313 4.593 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.156 2.961 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.176 4.417 4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.095 4.257 6.024 1.00 0.00 H new ATOM 663 N GLU A 54 -8.163 4.519 5.878 1.00 0.00 N ATOM 664 CA GLU A 54 -9.458 4.053 6.267 1.00 0.00 C ATOM 665 C GLU A 54 -10.498 4.408 5.260 1.00 0.00 C ATOM 666 O GLU A 54 -11.425 3.656 4.964 1.00 0.00 O ATOM 667 CB GLU A 54 -9.894 4.623 7.627 1.00 0.00 C ATOM 668 CG GLU A 54 -11.222 4.035 8.106 1.00 0.00 C ATOM 669 CD GLU A 54 -11.724 4.590 9.433 1.00 0.00 C ATOM 670 OE1 GLU A 54 -11.093 4.330 10.491 1.00 0.00 O ATOM 671 OE2 GLU A 54 -12.809 5.230 9.419 1.00 0.00 O ATOM 0 H GLU A 54 -7.759 5.215 6.505 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.370 2.969 6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.121 4.419 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.986 5.707 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.979 4.215 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.113 2.954 8.198 1.00 0.00 H new ATOM 678 N SER A 55 -10.324 5.598 4.656 1.00 0.00 N ATOM 679 CA SER A 55 -11.274 6.232 3.795 1.00 0.00 C ATOM 680 C SER A 55 -11.322 5.750 2.386 1.00 0.00 C ATOM 681 O SER A 55 -12.134 6.235 1.601 1.00 0.00 O ATOM 682 CB SER A 55 -11.064 7.755 3.811 1.00 0.00 C ATOM 683 OG SER A 55 -12.287 8.471 3.719 1.00 0.00 O ATOM 0 H SER A 55 -9.473 6.147 4.776 1.00 0.00 H new ATOM 0 HA SER A 55 -12.240 5.951 4.214 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.548 8.038 4.729 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.417 8.039 2.981 1.00 0.00 H new ATOM 0 HG SER A 55 -12.104 9.434 3.734 1.00 0.00 H new ATOM 689 N ASP A 56 -10.535 4.731 1.992 1.00 0.00 N ATOM 690 CA ASP A 56 -10.802 3.967 0.813 1.00 0.00 C ATOM 691 C ASP A 56 -12.016 3.137 1.053 1.00 0.00 C ATOM 692 O ASP A 56 -13.151 3.552 0.825 1.00 0.00 O ATOM 693 CB ASP A 56 -9.571 3.117 0.453 1.00 0.00 C ATOM 694 CG ASP A 56 -9.852 2.227 -0.750 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.053 2.768 -1.870 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.968 0.989 -0.550 1.00 0.00 O ATOM 0 H ASP A 56 -9.702 4.434 2.500 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.997 4.619 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.725 3.770 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.288 2.501 1.307 1.00 0.00 H new ATOM 701 N GLY A 57 -11.822 1.907 1.562 1.00 0.00 N ATOM 702 CA GLY A 57 -12.929 1.119 2.008 1.00 0.00 C ATOM 703 C GLY A 57 -12.537 -0.307 2.188 1.00 0.00 C ATOM 704 O GLY A 57 -12.930 -0.961 3.152 1.00 0.00 O ATOM 0 H GLY A 57 -10.910 1.462 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.306 1.517 2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.742 1.187 1.285 1.00 0.00 H new ATOM 708 N ARG A 58 -11.742 -0.835 1.240 1.00 0.00 N ATOM 709 CA ARG A 58 -11.446 -2.231 1.155 1.00 0.00 C ATOM 710 C ARG A 58 -10.275 -2.649 1.975 1.00 0.00 C ATOM 711 O ARG A 58 -10.121 -3.832 2.279 1.00 0.00 O ATOM 712 CB ARG A 58 -11.300 -2.609 -0.329 1.00 0.00 C ATOM 713 CG ARG A 58 -12.668 -2.817 -0.981 1.00 0.00 C ATOM 714 CD ARG A 58 -12.639 -3.090 -2.485 1.00 0.00 C ATOM 715 NE ARG A 58 -12.745 -1.779 -3.187 1.00 0.00 N ATOM 716 CZ ARG A 58 -13.774 -1.419 -4.008 1.00 0.00 C ATOM 717 NH1 ARG A 58 -14.911 -2.165 -4.133 1.00 0.00 N ATOM 718 NH2 ARG A 58 -13.671 -0.274 -4.744 1.00 0.00 N ATOM 0 H ARG A 58 -11.293 -0.276 0.514 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.276 -2.786 1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.758 -1.824 -0.856 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.708 -3.520 -0.419 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.165 -3.651 -0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.277 -1.931 -0.801 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.716 -3.599 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.463 -3.744 -2.771 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.995 -1.103 -3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.015 -3.029 -3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.656 -1.858 -4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -12.832 0.302 -4.677 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.433 0.006 -5.361 1.00 0.00 H new ATOM 732 N ILE A 59 -9.414 -1.712 2.408 1.00 0.00 N ATOM 733 CA ILE A 59 -8.300 -1.982 3.264 1.00 0.00 C ATOM 734 C ILE A 59 -8.723 -2.325 4.651 1.00 0.00 C ATOM 735 O ILE A 59 -9.569 -1.655 5.242 1.00 0.00 O ATOM 736 CB ILE A 59 -7.321 -0.849 3.356 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.366 0.093 2.140 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.930 -1.474 3.551 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.286 1.172 2.187 1.00 0.00 C ATOM 0 H ILE A 59 -9.496 -0.728 2.152 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.810 -2.835 2.794 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.581 -0.209 4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.249 -0.492 1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.346 0.568 2.090 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.183 -0.684 3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.922 -2.066 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.697 -2.116 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.367 1.806 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.417 1.779 3.083 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.303 0.702 2.207 1.00 0.00 H new ATOM 751 N HIS A 60 -8.147 -3.396 5.226 1.00 0.00 N ATOM 752 CA HIS A 60 -8.289 -3.733 6.609 1.00 0.00 C ATOM 753 C HIS A 60 -6.933 -3.959 7.185 1.00 0.00 C ATOM 754 O HIS A 60 -5.914 -3.583 6.607 1.00 0.00 O ATOM 755 CB HIS A 60 -9.201 -4.959 6.784 1.00 0.00 C ATOM 756 CG HIS A 60 -9.750 -5.176 8.163 1.00 0.00 C ATOM 757 ND1 HIS A 60 -9.291 -6.216 8.946 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.723 -4.486 8.816 1.00 0.00 C ATOM 759 CE1 HIS A 60 -9.993 -6.147 10.060 1.00 0.00 C ATOM 760 NE2 HIS A 60 -10.878 -5.114 10.035 1.00 0.00 N ATOM 0 H HIS A 60 -7.561 -4.051 4.709 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.767 -2.913 7.145 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -10.038 -4.867 6.091 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.642 -5.848 6.492 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -11.263 -3.624 8.455 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.879 -6.827 10.891 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.530 -4.854 10.775 1.00 0.00 H new ATOM 768 N LYS A 61 -6.838 -4.575 8.377 1.00 0.00 N ATOM 769 CA LYS A 61 -5.601 -4.726 9.078 1.00 0.00 C ATOM 770 C LYS A 61 -5.048 -6.104 8.955 1.00 0.00 C ATOM 771 O LYS A 61 -4.570 -6.718 9.907 1.00 0.00 O ATOM 772 CB LYS A 61 -5.739 -4.236 10.530 1.00 0.00 C ATOM 773 CG LYS A 61 -6.652 -5.019 11.475 1.00 0.00 C ATOM 774 CD LYS A 61 -6.671 -4.368 12.859 1.00 0.00 C ATOM 775 CE LYS A 61 -7.068 -5.315 13.993 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.110 -4.580 15.277 1.00 0.00 N ATOM 0 H LYS A 61 -7.639 -4.977 8.864 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.856 -4.087 8.605 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.742 -4.217 10.971 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.095 -3.206 10.501 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.663 -5.054 11.069 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.305 -6.049 11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.682 -3.961 13.070 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.365 -3.527 12.843 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.043 -5.756 13.785 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.354 -6.136 14.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.381 -5.231 16.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.171 -4.180 15.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.808 -3.811 15.214 1.00 0.00 H new ATOM 790 N GLY A 62 -5.071 -6.652 7.726 1.00 0.00 N ATOM 791 CA GLY A 62 -4.512 -7.941 7.459 1.00 0.00 C ATOM 792 C GLY A 62 -4.449 -8.254 6.004 1.00 0.00 C ATOM 793 O GLY A 62 -4.585 -9.409 5.603 1.00 0.00 O ATOM 0 H GLY A 62 -5.481 -6.197 6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.508 -7.991 7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.107 -8.702 7.964 1.00 0.00 H new ATOM 797 N ASP A 63 -4.216 -7.231 5.162 1.00 0.00 N ATOM 798 CA ASP A 63 -4.073 -7.368 3.745 1.00 0.00 C ATOM 799 C ASP A 63 -2.627 -7.413 3.389 1.00 0.00 C ATOM 800 O ASP A 63 -1.765 -7.250 4.252 1.00 0.00 O ATOM 801 CB ASP A 63 -4.779 -6.181 3.066 1.00 0.00 C ATOM 802 CG ASP A 63 -6.283 -6.389 3.166 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.769 -7.432 2.651 1.00 0.00 O ATOM 804 OD2 ASP A 63 -6.981 -5.524 3.759 1.00 0.00 O ATOM 0 H ASP A 63 -4.123 -6.267 5.482 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.530 -8.296 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.494 -5.246 3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.476 -6.108 2.022 1.00 0.00 H new ATOM 809 N ARG A 64 -2.263 -7.576 2.105 1.00 0.00 N ATOM 810 CA ARG A 64 -0.911 -7.529 1.640 1.00 0.00 C ATOM 811 C ARG A 64 -0.753 -6.345 0.750 1.00 0.00 C ATOM 812 O ARG A 64 -1.529 -6.163 -0.187 1.00 0.00 O ATOM 813 CB ARG A 64 -0.565 -8.813 0.866 1.00 0.00 C ATOM 814 CG ARG A 64 0.811 -8.842 0.198 1.00 0.00 C ATOM 815 CD ARG A 64 1.073 -10.135 -0.577 1.00 0.00 C ATOM 816 NE ARG A 64 2.394 -9.994 -1.253 1.00 0.00 N ATOM 817 CZ ARG A 64 2.620 -10.222 -2.580 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.635 -10.597 -3.448 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.884 -10.073 -3.070 1.00 0.00 N ATOM 0 H ARG A 64 -2.938 -7.748 1.360 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.236 -7.449 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.632 -9.657 1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.323 -8.966 0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.897 -7.994 -0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.581 -8.719 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.077 -10.992 0.097 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.285 -10.309 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 64 3.188 -9.706 -0.682 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.679 -10.719 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.855 -10.755 -4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.643 -9.795 -2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.071 -10.239 -4.059 1.00 0.00 H new ATOM 833 N VAL A 65 0.253 -5.481 0.978 1.00 0.00 N ATOM 834 CA VAL A 65 0.599 -4.404 0.103 1.00 0.00 C ATOM 835 C VAL A 65 1.743 -4.863 -0.732 1.00 0.00 C ATOM 836 O VAL A 65 2.859 -5.037 -0.244 1.00 0.00 O ATOM 837 CB VAL A 65 1.003 -3.120 0.765 1.00 0.00 C ATOM 838 CG1 VAL A 65 0.640 -1.970 -0.188 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.349 -2.943 2.147 1.00 0.00 C ATOM 0 H VAL A 65 0.848 -5.535 1.804 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.306 -4.170 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 65 2.077 -3.128 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.922 -1.019 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.174 -2.096 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.434 -1.978 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.673 -1.999 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.736 -2.939 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.646 -3.765 2.798 1.00 0.00 H new ATOM 849 N LEU A 66 1.550 -5.093 -2.044 1.00 0.00 N ATOM 850 CA LEU A 66 2.600 -5.524 -2.914 1.00 0.00 C ATOM 851 C LEU A 66 3.357 -4.381 -3.498 1.00 0.00 C ATOM 852 O LEU A 66 4.585 -4.369 -3.440 1.00 0.00 O ATOM 853 CB LEU A 66 2.132 -6.527 -3.981 1.00 0.00 C ATOM 854 CG LEU A 66 0.838 -6.216 -4.753 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.908 -6.812 -6.169 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.390 -6.792 -4.029 1.00 0.00 C ATOM 0 H LEU A 66 0.649 -4.978 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 66 3.300 -6.073 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.936 -6.638 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.006 -7.495 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 66 0.739 -5.132 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.013 -6.585 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.754 -6.381 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.033 -7.893 -6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.290 -6.557 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.287 -7.874 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.464 -6.354 -3.034 1.00 0.00 H new ATOM 868 N ALA A 67 2.682 -3.358 -4.052 1.00 0.00 N ATOM 869 CA ALA A 67 3.373 -2.318 -4.749 1.00 0.00 C ATOM 870 C ALA A 67 2.869 -0.952 -4.429 1.00 0.00 C ATOM 871 O ALA A 67 1.773 -0.772 -3.903 1.00 0.00 O ATOM 872 CB ALA A 67 3.327 -2.558 -6.268 1.00 0.00 C ATOM 0 H ALA A 67 1.668 -3.251 -4.018 1.00 0.00 H new ATOM 0 HA ALA A 67 4.406 -2.358 -4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.858 -1.755 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.800 -3.512 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.290 -2.577 -6.602 1.00 0.00 H new ATOM 878 N VAL A 68 3.691 0.075 -4.714 1.00 0.00 N ATOM 879 CA VAL A 68 3.404 1.440 -4.397 1.00 0.00 C ATOM 880 C VAL A 68 3.689 2.335 -5.553 1.00 0.00 C ATOM 881 O VAL A 68 4.849 2.483 -5.933 1.00 0.00 O ATOM 882 CB VAL A 68 4.231 1.915 -3.239 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.825 3.358 -2.897 1.00 0.00 C ATOM 884 CG2 VAL A 68 4.006 1.000 -2.023 1.00 0.00 C ATOM 0 H VAL A 68 4.588 -0.050 -5.182 1.00 0.00 H new ATOM 0 HA VAL A 68 2.345 1.481 -4.143 1.00 0.00 H new ATOM 0 HB VAL A 68 5.288 1.885 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.420 3.714 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.998 3.999 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.768 3.385 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.610 1.352 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.953 1.019 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.296 -0.020 -2.276 1.00 0.00 H new ATOM 894 N ASN A 69 2.685 2.971 -6.184 1.00 0.00 N ATOM 895 CA ASN A 69 2.807 3.664 -7.429 1.00 0.00 C ATOM 896 C ASN A 69 3.283 2.801 -8.546 1.00 0.00 C ATOM 897 O ASN A 69 3.916 3.259 -9.498 1.00 0.00 O ATOM 898 CB ASN A 69 3.647 4.951 -7.367 1.00 0.00 C ATOM 899 CG ASN A 69 2.959 5.988 -6.492 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.778 5.861 -6.174 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.685 7.070 -6.101 1.00 0.00 N ATOM 0 H ASN A 69 1.739 3.003 -5.805 1.00 0.00 H new ATOM 0 HA ASN A 69 1.780 3.963 -7.641 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.637 4.728 -6.969 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.789 5.349 -8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.251 7.797 -5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.663 7.154 -6.377 1.00 0.00 H new ATOM 908 N GLY A 70 3.020 1.485 -8.466 1.00 0.00 N ATOM 909 CA GLY A 70 3.554 0.515 -9.371 1.00 0.00 C ATOM 910 C GLY A 70 4.967 0.140 -9.082 1.00 0.00 C ATOM 911 O GLY A 70 5.635 -0.495 -9.896 1.00 0.00 O ATOM 0 H GLY A 70 2.417 1.083 -7.749 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.935 -0.381 -9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.492 0.906 -10.387 1.00 0.00 H new ATOM 915 N VAL A 71 5.490 0.515 -7.901 1.00 0.00 N ATOM 916 CA VAL A 71 6.800 0.159 -7.453 1.00 0.00 C ATOM 917 C VAL A 71 6.637 -0.969 -6.493 1.00 0.00 C ATOM 918 O VAL A 71 6.274 -0.785 -5.333 1.00 0.00 O ATOM 919 CB VAL A 71 7.587 1.263 -6.810 1.00 0.00 C ATOM 920 CG1 VAL A 71 9.033 0.806 -6.552 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.594 2.485 -7.744 1.00 0.00 C ATOM 0 H VAL A 71 4.979 1.090 -7.231 1.00 0.00 H new ATOM 0 HA VAL A 71 7.383 -0.106 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 71 7.126 1.525 -5.858 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.593 1.616 -6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.028 -0.060 -5.890 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.504 0.537 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.164 3.292 -7.283 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.052 2.214 -8.695 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.570 2.817 -7.917 1.00 0.00 H new ATOM 931 N SER A 72 6.876 -2.208 -6.958 1.00 0.00 N ATOM 932 CA SER A 72 6.903 -3.380 -6.137 1.00 0.00 C ATOM 933 C SER A 72 8.080 -3.338 -5.223 1.00 0.00 C ATOM 934 O SER A 72 9.113 -2.751 -5.539 1.00 0.00 O ATOM 935 CB SER A 72 6.907 -4.686 -6.949 1.00 0.00 C ATOM 936 OG SER A 72 6.733 -5.835 -6.135 1.00 0.00 O ATOM 0 H SER A 72 7.057 -2.402 -7.943 1.00 0.00 H new ATOM 0 HA SER A 72 5.982 -3.377 -5.555 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.112 -4.649 -7.694 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.848 -4.769 -7.492 1.00 0.00 H new ATOM 0 HG SER A 72 6.741 -6.638 -6.697 1.00 0.00 H new ATOM 942 N LEU A 73 7.951 -3.925 -4.019 1.00 0.00 N ATOM 943 CA LEU A 73 8.875 -3.723 -2.947 1.00 0.00 C ATOM 944 C LEU A 73 10.284 -4.138 -3.195 1.00 0.00 C ATOM 945 O LEU A 73 11.192 -3.501 -2.662 1.00 0.00 O ATOM 946 CB LEU A 73 8.352 -4.346 -1.642 1.00 0.00 C ATOM 947 CG LEU A 73 7.255 -3.558 -0.908 1.00 0.00 C ATOM 948 CD1 LEU A 73 7.333 -3.787 0.611 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.261 -2.034 -1.115 1.00 0.00 C ATOM 0 H LEU A 73 7.184 -4.556 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 73 8.928 -2.638 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.968 -5.341 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.194 -4.476 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 73 6.341 -3.950 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.546 -3.218 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.204 -4.848 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.305 -3.458 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.444 -1.587 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.209 -1.623 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.134 -1.810 -2.174 1.00 0.00 H new ATOM 961 N GLU A 74 10.541 -5.180 -4.006 1.00 0.00 N ATOM 962 CA GLU A 74 11.840 -5.528 -4.493 1.00 0.00 C ATOM 963 C GLU A 74 12.786 -5.862 -3.392 1.00 0.00 C ATOM 964 O GLU A 74 13.875 -5.307 -3.244 1.00 0.00 O ATOM 965 CB GLU A 74 12.373 -4.432 -5.431 1.00 0.00 C ATOM 966 CG GLU A 74 13.603 -4.780 -6.272 1.00 0.00 C ATOM 967 CD GLU A 74 14.230 -3.536 -6.887 1.00 0.00 C ATOM 968 OE1 GLU A 74 14.609 -2.603 -6.131 1.00 0.00 O ATOM 969 OE2 GLU A 74 14.380 -3.478 -8.137 1.00 0.00 O ATOM 0 H GLU A 74 9.809 -5.809 -4.337 1.00 0.00 H new ATOM 0 HA GLU A 74 11.748 -6.442 -5.080 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.569 -4.144 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.611 -3.555 -4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.338 -5.289 -5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.319 -5.474 -7.063 1.00 0.00 H new ATOM 976 N GLY A 75 12.367 -6.774 -2.497 1.00 0.00 N ATOM 977 CA GLY A 75 13.105 -7.091 -1.314 1.00 0.00 C ATOM 978 C GLY A 75 13.167 -6.015 -0.286 1.00 0.00 C ATOM 979 O GLY A 75 14.175 -5.877 0.404 1.00 0.00 O ATOM 0 H GLY A 75 11.499 -7.301 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.664 -7.978 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.123 -7.353 -1.602 1.00 0.00 H new ATOM 983 N ALA A 76 12.094 -5.220 -0.124 1.00 0.00 N ATOM 984 CA ALA A 76 11.992 -4.235 0.909 1.00 0.00 C ATOM 985 C ALA A 76 11.482 -4.787 2.196 1.00 0.00 C ATOM 986 O ALA A 76 10.770 -5.788 2.272 1.00 0.00 O ATOM 987 CB ALA A 76 11.203 -2.989 0.475 1.00 0.00 C ATOM 0 H ALA A 76 11.274 -5.263 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 76 13.016 -3.911 1.093 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.160 -2.279 1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.698 -2.524 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.191 -3.279 0.194 1.00 0.00 H new ATOM 993 N THR A 77 11.894 -4.142 3.301 1.00 0.00 N ATOM 994 CA THR A 77 11.754 -4.548 4.665 1.00 0.00 C ATOM 995 C THR A 77 10.669 -3.755 5.308 1.00 0.00 C ATOM 996 O THR A 77 9.852 -3.137 4.627 1.00 0.00 O ATOM 997 CB THR A 77 13.030 -4.260 5.399 1.00 0.00 C ATOM 998 OG1 THR A 77 13.394 -2.890 5.319 1.00 0.00 O ATOM 999 CG2 THR A 77 14.190 -5.022 4.738 1.00 0.00 C ATOM 0 H THR A 77 12.374 -3.245 3.229 1.00 0.00 H new ATOM 0 HA THR A 77 11.521 -5.612 4.700 1.00 0.00 H new ATOM 0 HB THR A 77 12.860 -4.554 6.435 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.837 -2.719 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.116 -4.811 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.988 -6.093 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.290 -4.704 3.700 1.00 0.00 H new ATOM 1007 N HIS A 78 10.646 -3.654 6.649 1.00 0.00 N ATOM 1008 CA HIS A 78 9.908 -2.643 7.340 1.00 0.00 C ATOM 1009 C HIS A 78 10.351 -1.268 6.979 1.00 0.00 C ATOM 1010 O HIS A 78 9.533 -0.410 6.648 1.00 0.00 O ATOM 1011 CB HIS A 78 10.027 -2.785 8.867 1.00 0.00 C ATOM 1012 CG HIS A 78 9.738 -1.574 9.704 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.584 -1.207 10.716 1.00 0.00 N ATOM 1014 CD2 HIS A 78 8.775 -0.615 9.645 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.165 -0.074 11.247 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.065 0.301 10.621 1.00 0.00 N ATOM 0 H HIS A 78 11.151 -4.289 7.267 1.00 0.00 H new ATOM 0 HA HIS A 78 8.873 -2.787 7.030 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.352 -3.580 9.184 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.040 -3.117 9.095 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.409 -1.728 11.013 1.00 0.00 H new ATOM 0 HD2 HIS A 78 7.941 -0.582 8.959 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.642 0.457 12.057 1.00 0.00 H new ATOM 1025 N LYS A 79 11.666 -0.997 7.055 1.00 0.00 N ATOM 1026 CA LYS A 79 12.229 0.303 6.866 1.00 0.00 C ATOM 1027 C LYS A 79 12.154 0.742 5.444 1.00 0.00 C ATOM 1028 O LYS A 79 11.714 1.852 5.145 1.00 0.00 O ATOM 1029 CB LYS A 79 13.698 0.338 7.322 1.00 0.00 C ATOM 1030 CG LYS A 79 13.909 -0.179 8.746 1.00 0.00 C ATOM 1031 CD LYS A 79 15.354 0.033 9.202 1.00 0.00 C ATOM 1032 CE LYS A 79 15.642 -0.530 10.596 1.00 0.00 C ATOM 1033 NZ LYS A 79 16.967 -0.061 11.058 1.00 0.00 N ATOM 0 H LYS A 79 12.365 -1.712 7.256 1.00 0.00 H new ATOM 0 HA LYS A 79 11.638 0.988 7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.297 -0.259 6.635 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.065 1.362 7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.231 0.335 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.662 -1.240 8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.026 -0.436 8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.576 1.100 9.197 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.869 -0.211 11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.619 -1.619 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.160 -0.445 12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.700 -0.386 10.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.973 0.978 11.098 1.00 0.00 H new ATOM 1047 N GLN A 80 12.522 -0.136 4.494 1.00 0.00 N ATOM 1048 CA GLN A 80 12.371 0.184 3.109 1.00 0.00 C ATOM 1049 C GLN A 80 10.949 0.306 2.680 1.00 0.00 C ATOM 1050 O GLN A 80 10.652 1.162 1.848 1.00 0.00 O ATOM 1051 CB GLN A 80 13.093 -0.813 2.188 1.00 0.00 C ATOM 1052 CG GLN A 80 14.618 -0.696 2.193 1.00 0.00 C ATOM 1053 CD GLN A 80 15.209 -1.785 1.310 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.340 -2.933 1.736 1.00 0.00 O ATOM 1055 NE2 GLN A 80 15.541 -1.448 0.035 1.00 0.00 N ATOM 0 H GLN A 80 12.919 -1.057 4.681 1.00 0.00 H new ATOM 0 HA GLN A 80 12.840 1.163 3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.819 -1.825 2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.734 -0.671 1.169 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.920 0.286 1.830 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.998 -0.790 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.420 -0.488 -0.287 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.911 -2.156 -0.600 1.00 0.00 H new ATOM 1064 N ALA A 81 9.988 -0.467 3.217 1.00 0.00 N ATOM 1065 CA ALA A 81 8.609 -0.255 2.901 1.00 0.00 C ATOM 1066 C ALA A 81 8.094 1.092 3.277 1.00 0.00 C ATOM 1067 O ALA A 81 7.392 1.726 2.491 1.00 0.00 O ATOM 1068 CB ALA A 81 7.712 -1.314 3.562 1.00 0.00 C ATOM 0 H ALA A 81 10.164 -1.234 3.866 1.00 0.00 H new ATOM 0 HA ALA A 81 8.567 -0.335 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.671 -1.123 3.301 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.999 -2.305 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.829 -1.266 4.645 1.00 0.00 H new ATOM 1074 N VAL A 82 8.475 1.615 4.456 1.00 0.00 N ATOM 1075 CA VAL A 82 8.152 2.941 4.882 1.00 0.00 C ATOM 1076 C VAL A 82 8.628 3.962 3.906 1.00 0.00 C ATOM 1077 O VAL A 82 7.862 4.808 3.445 1.00 0.00 O ATOM 1078 CB VAL A 82 8.729 3.276 6.225 1.00 0.00 C ATOM 1079 CG1 VAL A 82 8.609 4.762 6.605 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.006 2.463 7.313 1.00 0.00 C ATOM 0 H VAL A 82 9.028 1.095 5.137 1.00 0.00 H new ATOM 0 HA VAL A 82 7.064 2.963 4.949 1.00 0.00 H new ATOM 0 HB VAL A 82 9.789 3.033 6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.049 4.923 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.135 5.369 5.869 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.557 5.048 6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.426 2.707 8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.944 2.707 7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.136 1.398 7.118 1.00 0.00 H new ATOM 1090 N GLU A 83 9.906 3.906 3.493 1.00 0.00 N ATOM 1091 CA GLU A 83 10.463 4.778 2.505 1.00 0.00 C ATOM 1092 C GLU A 83 9.778 4.708 1.184 1.00 0.00 C ATOM 1093 O GLU A 83 9.512 5.735 0.560 1.00 0.00 O ATOM 1094 CB GLU A 83 11.967 4.522 2.309 1.00 0.00 C ATOM 1095 CG GLU A 83 12.797 4.761 3.571 1.00 0.00 C ATOM 1096 CD GLU A 83 14.293 4.612 3.341 1.00 0.00 C ATOM 1097 OE1 GLU A 83 14.761 4.645 2.171 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.035 4.503 4.353 1.00 0.00 O ATOM 0 H GLU A 83 10.576 3.230 3.859 1.00 0.00 H new ATOM 0 HA GLU A 83 10.306 5.782 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.112 3.494 1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.337 5.168 1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.592 5.763 3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.483 4.059 4.343 1.00 0.00 H new ATOM 1105 N THR A 84 9.404 3.498 0.732 1.00 0.00 N ATOM 1106 CA THR A 84 8.708 3.220 -0.486 1.00 0.00 C ATOM 1107 C THR A 84 7.377 3.885 -0.573 1.00 0.00 C ATOM 1108 O THR A 84 6.972 4.321 -1.650 1.00 0.00 O ATOM 1109 CB THR A 84 8.585 1.745 -0.730 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.859 1.122 -0.653 1.00 0.00 O ATOM 1111 CG2 THR A 84 8.101 1.381 -2.144 1.00 0.00 C ATOM 0 H THR A 84 9.604 2.649 1.260 1.00 0.00 H new ATOM 0 HA THR A 84 9.321 3.650 -1.278 1.00 0.00 H new ATOM 0 HB THR A 84 7.871 1.414 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.017 0.813 0.263 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.039 0.297 -2.239 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.117 1.817 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.804 1.770 -2.881 1.00 0.00 H new ATOM 1119 N LEU A 85 6.706 4.102 0.572 1.00 0.00 N ATOM 1120 CA LEU A 85 5.459 4.787 0.706 1.00 0.00 C ATOM 1121 C LEU A 85 5.600 6.254 0.928 1.00 0.00 C ATOM 1122 O LEU A 85 4.860 7.052 0.353 1.00 0.00 O ATOM 1123 CB LEU A 85 4.733 4.221 1.939 1.00 0.00 C ATOM 1124 CG LEU A 85 4.358 2.736 1.791 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.203 2.090 3.179 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.086 2.587 0.941 1.00 0.00 C ATOM 0 H LEU A 85 7.063 3.774 1.469 1.00 0.00 H new ATOM 0 HA LEU A 85 4.918 4.637 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.369 4.343 2.815 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.828 4.802 2.119 1.00 0.00 H new ATOM 0 HG LEU A 85 5.159 2.211 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.938 1.039 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.144 2.169 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.418 2.604 3.734 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.834 1.531 0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.263 3.115 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.258 3.010 -0.049 1.00 0.00 H new ATOM 1138 N ARG A 86 6.550 6.691 1.772 1.00 0.00 N ATOM 1139 CA ARG A 86 6.680 8.049 2.202 1.00 0.00 C ATOM 1140 C ARG A 86 7.493 8.920 1.307 1.00 0.00 C ATOM 1141 O ARG A 86 7.305 10.135 1.293 1.00 0.00 O ATOM 1142 CB ARG A 86 7.051 8.053 3.694 1.00 0.00 C ATOM 1143 CG ARG A 86 7.993 9.112 4.270 1.00 0.00 C ATOM 1144 CD ARG A 86 9.447 8.835 3.885 1.00 0.00 C ATOM 1145 NE ARG A 86 10.313 9.934 4.395 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.399 11.177 3.839 1.00 0.00 C ATOM 1147 NH1 ARG A 86 9.612 11.555 2.788 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.295 12.076 4.339 1.00 0.00 N ATOM 0 H ARG A 86 7.257 6.074 2.172 1.00 0.00 H new ATOM 0 HA ARG A 86 5.717 8.550 2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.118 8.117 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.490 7.081 3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.700 10.097 3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.900 9.132 5.356 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.769 7.881 4.301 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.539 8.758 2.802 1.00 0.00 H new ATOM 0 HE ARG A 86 10.883 9.744 5.219 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.935 10.900 2.396 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.701 12.492 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.894 11.817 5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.366 13.007 3.929 1.00 0.00 H new ATOM 1162 N ASN A 87 8.431 8.390 0.501 1.00 0.00 N ATOM 1163 CA ASN A 87 9.327 9.144 -0.321 1.00 0.00 C ATOM 1164 C ASN A 87 8.783 9.406 -1.683 1.00 0.00 C ATOM 1165 O ASN A 87 9.480 9.650 -2.667 1.00 0.00 O ATOM 1166 CB ASN A 87 10.671 8.399 -0.374 1.00 0.00 C ATOM 1167 CG ASN A 87 11.867 9.265 -0.746 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.843 10.494 -0.692 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.995 8.598 -1.109 1.00 0.00 N ATOM 0 H ASN A 87 8.571 7.383 0.419 1.00 0.00 H new ATOM 0 HA ASN A 87 9.466 10.131 0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.858 7.945 0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.591 7.585 -1.095 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.841 9.117 -1.343 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.995 7.579 -1.148 1.00 0.00 H new ATOM 1176 N THR A 88 7.441 9.384 -1.778 1.00 0.00 N ATOM 1177 CA THR A 88 6.627 9.475 -2.950 1.00 0.00 C ATOM 1178 C THR A 88 6.186 10.870 -3.228 1.00 0.00 C ATOM 1179 O THR A 88 6.206 11.737 -2.355 1.00 0.00 O ATOM 1180 CB THR A 88 5.401 8.633 -2.757 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.774 8.951 -1.523 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.839 7.164 -2.647 1.00 0.00 C ATOM 0 H THR A 88 6.867 9.292 -0.940 1.00 0.00 H new ATOM 0 HA THR A 88 7.228 9.131 -3.791 1.00 0.00 H new ATOM 0 HB THR A 88 4.722 8.808 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.860 8.193 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.962 6.532 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.356 6.869 -3.560 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.511 7.047 -1.797 1.00 0.00 H new ATOM 1190 N GLY A 89 5.734 11.154 -4.463 1.00 0.00 N ATOM 1191 CA GLY A 89 5.315 12.458 -4.876 1.00 0.00 C ATOM 1192 C GLY A 89 3.876 12.736 -4.613 1.00 0.00 C ATOM 1193 O GLY A 89 3.091 12.926 -5.540 1.00 0.00 O ATOM 0 H GLY A 89 5.658 10.452 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.920 13.204 -4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.509 12.571 -5.943 1.00 0.00 H new ATOM 1197 N GLN A 90 3.508 12.776 -3.319 1.00 0.00 N ATOM 1198 CA GLN A 90 2.209 12.943 -2.747 1.00 0.00 C ATOM 1199 C GLN A 90 1.269 11.806 -2.955 1.00 0.00 C ATOM 1200 O GLN A 90 0.749 11.250 -1.989 1.00 0.00 O ATOM 1201 CB GLN A 90 1.580 14.315 -3.044 1.00 0.00 C ATOM 1202 CG GLN A 90 0.304 14.569 -2.240 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.161 16.015 -2.336 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -1.053 16.363 -3.108 1.00 0.00 O ATOM 1205 NE2 GLN A 90 0.447 16.896 -1.496 1.00 0.00 N ATOM 0 H GLN A 90 4.213 12.679 -2.588 1.00 0.00 H new ATOM 0 HA GLN A 90 2.401 12.926 -1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 90 2.305 15.098 -2.822 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.353 14.383 -4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.487 13.911 -2.600 1.00 0.00 H new ATOM 0 HG3 GLN A 90 0.479 14.315 -1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.184 16.576 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.166 17.877 -1.495 1.00 0.00 H new ATOM 1214 N VAL A 91 1.035 11.399 -4.215 1.00 0.00 N ATOM 1215 CA VAL A 91 0.180 10.296 -4.529 1.00 0.00 C ATOM 1216 C VAL A 91 0.852 9.004 -4.212 1.00 0.00 C ATOM 1217 O VAL A 91 2.013 8.767 -4.542 1.00 0.00 O ATOM 1218 CB VAL A 91 -0.332 10.269 -5.939 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.157 9.002 -6.222 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -1.208 11.517 -6.143 1.00 0.00 C ATOM 0 H VAL A 91 1.448 11.846 -5.034 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.698 10.437 -3.899 1.00 0.00 H new ATOM 0 HB VAL A 91 0.513 10.263 -6.628 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.510 9.020 -7.253 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.535 8.121 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.012 8.966 -5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.596 11.526 -7.161 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.039 11.497 -5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.610 12.413 -5.974 1.00 0.00 H new ATOM 1230 N VAL A 92 0.107 8.124 -3.521 1.00 0.00 N ATOM 1231 CA VAL A 92 0.485 6.774 -3.242 1.00 0.00 C ATOM 1232 C VAL A 92 -0.622 5.898 -3.716 1.00 0.00 C ATOM 1233 O VAL A 92 -1.699 5.863 -3.124 1.00 0.00 O ATOM 1234 CB VAL A 92 0.701 6.567 -1.771 1.00 0.00 C ATOM 1235 CG1 VAL A 92 1.280 5.171 -1.480 1.00 0.00 C ATOM 1236 CG2 VAL A 92 1.703 7.617 -1.264 1.00 0.00 C ATOM 0 H VAL A 92 -0.806 8.367 -3.137 1.00 0.00 H new ATOM 0 HA VAL A 92 1.421 6.537 -3.748 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.262 6.661 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.424 5.054 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.589 4.408 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.238 5.061 -1.989 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.868 7.477 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.648 7.504 -1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.304 8.616 -1.441 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.410 5.144 -4.811 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.226 4.031 -5.189 1.00 0.00 C ATOM 1248 C HIS A 93 -0.866 2.869 -4.329 1.00 0.00 C ATOM 1249 O HIS A 93 0.209 2.296 -4.498 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.026 3.513 -6.623 1.00 0.00 C ATOM 1251 CG HIS A 93 -1.059 4.534 -7.722 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -0.632 4.163 -8.980 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -1.447 5.837 -7.710 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -0.740 5.258 -9.709 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -1.242 6.299 -8.994 1.00 0.00 N ATOM 0 H HIS A 93 0.360 5.317 -5.458 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.247 4.399 -5.090 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.067 2.997 -6.667 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.797 2.770 -6.826 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -1.835 6.394 -6.870 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -0.462 5.319 -10.751 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -1.431 7.240 -9.340 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.718 2.456 -3.373 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.485 1.259 -2.628 1.00 0.00 C ATOM 1265 C LEU A 94 -1.950 0.083 -3.418 1.00 0.00 C ATOM 1266 O LEU A 94 -3.152 -0.158 -3.523 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.244 1.246 -1.290 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.669 2.223 -0.250 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -0.212 1.881 0.103 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -1.847 3.715 -0.578 1.00 0.00 C ATOM 0 H LEU A 94 -2.571 2.953 -3.116 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.415 1.214 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.290 1.495 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.223 0.237 -0.879 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.285 2.072 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.160 2.592 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.164 0.873 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.402 1.935 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.408 4.317 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.351 3.942 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.909 3.945 -0.662 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.024 -0.701 -3.996 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.369 -1.905 -4.685 1.00 0.00 C ATOM 1284 C LEU A 95 -1.484 -2.988 -3.668 1.00 0.00 C ATOM 1285 O LEU A 95 -0.502 -3.601 -3.252 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.351 -2.256 -5.784 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.988 -2.890 -7.032 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.120 -3.302 -8.015 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -1.891 -4.090 -6.703 1.00 0.00 C ATOM 0 H LEU A 95 -0.025 -0.498 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.319 -1.775 -5.203 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.181 -1.351 -6.078 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.390 -2.943 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.634 -2.139 -7.487 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.328 -3.752 -8.901 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.694 -2.422 -8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.781 -4.024 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.311 -4.493 -7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.304 -4.861 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.700 -3.768 -6.047 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.736 -3.181 -3.214 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.146 -4.087 -2.187 1.00 0.00 C ATOM 1303 C LEU A 96 -3.681 -5.335 -2.802 1.00 0.00 C ATOM 1304 O LEU A 96 -4.402 -5.300 -3.799 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.251 -3.446 -1.331 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.761 -2.309 -0.419 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.859 -1.251 -0.221 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.295 -2.864 0.937 1.00 0.00 C ATOM 0 H LEU A 96 -3.524 -2.660 -3.598 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.284 -4.320 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.028 -3.059 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.712 -4.218 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.912 -1.829 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.487 -0.458 0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.137 -0.829 -1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.733 -1.715 0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.952 -2.044 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.125 -3.375 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.477 -3.568 0.781 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.344 -6.490 -2.202 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.938 -7.768 -2.446 1.00 0.00 C ATOM 1322 C GLU A 97 -4.732 -8.112 -1.234 1.00 0.00 C ATOM 1323 O GLU A 97 -4.296 -7.937 -0.098 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.868 -8.845 -2.692 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.329 -10.305 -2.702 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.185 -11.292 -2.883 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.056 -10.894 -3.276 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.422 -12.508 -2.648 1.00 0.00 O ATOM 0 H GLU A 97 -2.606 -6.533 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.563 -7.727 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.392 -8.635 -3.650 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.101 -8.739 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.844 -10.523 -1.767 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.053 -10.446 -3.505 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.956 -8.622 -1.462 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.880 -9.009 -0.443 1.00 0.00 C ATOM 1337 C LYS A 98 -6.420 -10.217 0.299 1.00 0.00 C ATOM 1338 O LYS A 98 -6.286 -11.303 -0.262 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.253 -9.251 -1.093 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.448 -9.442 -0.156 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.725 -8.293 0.816 1.00 0.00 C ATOM 1342 CE LYS A 98 -9.851 -6.909 0.177 1.00 0.00 C ATOM 1343 NZ LYS A 98 -10.992 -6.846 -0.765 1.00 0.00 N ATOM 0 H LYS A 98 -6.318 -8.771 -2.404 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.952 -8.207 0.291 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.470 -8.407 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.176 -10.135 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -10.339 -9.602 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.289 -10.352 0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.647 -8.511 1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.923 -8.262 1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.980 -6.158 0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.929 -6.666 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.048 -5.894 -1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.856 -7.546 -1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.875 -7.054 -0.256 1.00 0.00 H new ATOM 1434 N LEU B 206 8.685 -3.160 14.963 1.00 0.00 N ATOM 1435 CA LEU B 206 8.429 -2.374 13.796 1.00 0.00 C ATOM 1436 C LEU B 206 7.282 -1.439 13.972 1.00 0.00 C ATOM 1437 O LEU B 206 7.087 -0.874 15.046 1.00 0.00 O ATOM 1438 CB LEU B 206 8.272 -3.298 12.576 1.00 0.00 C ATOM 1439 CG LEU B 206 7.031 -4.192 12.416 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.372 -5.200 11.306 1.00 0.00 C ATOM 1441 CD2 LEU B 206 6.602 -4.982 13.663 1.00 0.00 C ATOM 0 HA LEU B 206 9.288 -1.726 13.621 1.00 0.00 H new ATOM 0 HB2 LEU B 206 8.328 -2.668 11.688 1.00 0.00 H new ATOM 0 HB3 LEU B 206 9.143 -3.954 12.557 1.00 0.00 H new ATOM 0 HG LEU B 206 6.191 -3.533 12.199 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.524 -5.866 11.146 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.592 -4.664 10.383 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.243 -5.786 11.601 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.718 -5.576 13.431 1.00 0.00 H new ATOM 0 HD22 LEU B 206 7.412 -5.643 13.971 1.00 0.00 H new ATOM 0 HD23 LEU B 206 6.372 -4.288 14.472 1.00 0.00 H new ATOM 1453 N VAL B 207 6.477 -1.232 12.914 1.00 0.00 N ATOM 1454 CA VAL B 207 5.248 -0.501 12.940 1.00 0.00 C ATOM 1455 C VAL B 207 5.440 0.976 12.991 1.00 0.00 C ATOM 1456 O VAL B 207 5.845 1.593 13.974 1.00 0.00 O ATOM 1457 CB VAL B 207 4.189 -1.101 13.817 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.246 -0.062 14.446 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.440 -2.167 13.000 1.00 0.00 C ATOM 0 H VAL B 207 6.697 -1.596 11.987 1.00 0.00 H new ATOM 0 HA VAL B 207 4.788 -0.631 11.961 1.00 0.00 H new ATOM 0 HB VAL B 207 4.669 -1.567 14.678 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.507 -0.570 15.066 1.00 0.00 H new ATOM 0 HG12 VAL B 207 3.823 0.628 15.061 1.00 0.00 H new ATOM 0 HG13 VAL B 207 2.738 0.493 13.657 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.663 -2.619 13.617 1.00 0.00 H new ATOM 0 HG22 VAL B 207 2.984 -1.702 12.126 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.141 -2.937 12.677 1.00 0.00 H new ATOM 1469 N THR B 208 5.159 1.602 11.833 1.00 0.00 N ATOM 1470 CA THR B 208 5.371 2.992 11.575 1.00 0.00 C ATOM 1471 C THR B 208 4.175 3.364 10.768 1.00 0.00 C ATOM 1472 O THR B 208 3.942 2.730 9.740 1.00 0.00 O ATOM 1473 CB THR B 208 6.592 3.246 10.742 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.764 2.778 11.394 1.00 0.00 O ATOM 1475 CG2 THR B 208 6.798 4.744 10.456 1.00 0.00 C ATOM 0 H THR B 208 4.762 1.109 11.033 1.00 0.00 H new ATOM 0 HA THR B 208 5.509 3.551 12.501 1.00 0.00 H new ATOM 0 HB THR B 208 6.429 2.710 9.807 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.037 1.922 11.002 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.694 4.879 9.850 1.00 0.00 H new ATOM 0 HG22 THR B 208 5.934 5.134 9.918 1.00 0.00 H new ATOM 0 HG23 THR B 208 6.912 5.282 11.397 1.00 0.00 H new ATOM 1483 N SER B 209 3.373 4.348 11.214 1.00 0.00 N ATOM 1484 CA SER B 209 2.275 4.878 10.466 1.00 0.00 C ATOM 1485 C SER B 209 2.808 5.810 9.431 1.00 0.00 C ATOM 1486 O SER B 209 3.642 6.663 9.730 1.00 0.00 O ATOM 1487 CB SER B 209 1.223 5.611 11.314 1.00 0.00 C ATOM 1488 OG SER B 209 0.700 4.765 12.328 1.00 0.00 O ATOM 0 H SER B 209 3.493 4.789 12.126 1.00 0.00 H new ATOM 0 HA SER B 209 1.761 4.025 10.022 1.00 0.00 H new ATOM 0 HB2 SER B 209 1.670 6.495 11.769 1.00 0.00 H new ATOM 0 HB3 SER B 209 0.413 5.958 10.673 1.00 0.00 H new ATOM 0 HG SER B 209 0.809 3.828 12.061 1.00 0.00 H new ATOM 1494 N VAL B 210 2.389 5.624 8.167 1.00 0.00 N ATOM 1495 CA VAL B 210 3.025 6.169 7.009 1.00 0.00 C ATOM 1496 C VAL B 210 1.932 6.162 5.950 1.00 0.00 C ATOM 1497 O VAL B 210 0.863 5.529 6.166 1.00 0.00 O ATOM 1498 CB VAL B 210 4.229 5.366 6.616 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.859 3.940 6.177 1.00 0.00 C ATOM 1500 CG2 VAL B 210 5.052 6.099 5.544 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.098 6.873 4.923 1.00 0.00 O ATOM 0 H VAL B 210 1.566 5.066 7.942 1.00 0.00 H new ATOM 0 HA VAL B 210 3.418 7.173 7.170 1.00 0.00 H new ATOM 0 HB VAL B 210 4.854 5.262 7.503 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.764 3.398 5.902 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.362 3.424 6.998 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.189 3.986 5.319 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.920 5.496 5.276 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.436 6.261 4.660 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.385 7.060 5.935 1.00 0.00 H new