USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 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 Set 1.1: A 58 ASN : amide:sc= -0.348 K(o=-0.97,f=-3!) USER MOD Set 1.2: A 77 SER OG : rot 140:sc= -0.618 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0.047 USER MOD Single : A 29 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.17) USER MOD Single : A 30 THR OG1 : rot -169:sc= -1.55 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.283 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A 60 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.36) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -1.01 K(o=-1,f=-0.49) USER MOD Single : A 65 MET CE :methyl -105:sc= -1.84 (180deg=-6.99!) USER MOD Single : A 67 HIS : no HE2:sc= -0.0851 X(o=-0.085,f=-0.38) USER MOD Single : A 71 GLN : amide:sc= -1.5 K(o=-1.5,f=-3!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.031 X(o=-0.031,f=-0.11) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.523 X(o=-0.52,f=-0.15) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -2.365 13.158 2.911 1.00 0.00 N ATOM 60 CA GLY A 7 -1.916 11.838 2.503 1.00 0.00 C ATOM 61 C GLY A 7 -1.151 11.146 3.632 1.00 0.00 C ATOM 62 O GLY A 7 -0.214 11.713 4.191 1.00 0.00 O ATOM 0 HA2 GLY A 7 -2.774 11.231 2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.277 11.923 1.624 1.00 0.00 H new ATOM 66 N LEU A 8 -1.579 9.929 3.935 1.00 0.00 N ATOM 67 CA LEU A 8 -0.946 9.153 4.988 1.00 0.00 C ATOM 68 C LEU A 8 -0.136 8.016 4.361 1.00 0.00 C ATOM 69 O LEU A 8 -0.400 7.611 3.230 1.00 0.00 O ATOM 70 CB LEU A 8 -1.987 8.679 6.004 1.00 0.00 C ATOM 71 CG LEU A 8 -1.908 7.205 6.407 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.535 6.979 7.784 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.535 6.309 5.338 1.00 0.00 C ATOM 0 H LEU A 8 -2.357 9.461 3.469 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.246 9.772 5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.891 9.287 6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.979 8.871 5.595 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.857 6.928 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.466 5.923 8.046 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.004 7.573 8.528 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.583 7.279 7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.465 5.267 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.583 6.579 5.206 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.005 6.442 4.395 1.00 0.00 H new ATOM 85 N THR A 9 0.834 7.533 5.124 1.00 0.00 N ATOM 86 CA THR A 9 1.684 6.451 4.658 1.00 0.00 C ATOM 87 C THR A 9 1.463 5.196 5.504 1.00 0.00 C ATOM 88 O THR A 9 0.929 5.275 6.610 1.00 0.00 O ATOM 89 CB THR A 9 3.131 6.947 4.673 1.00 0.00 C ATOM 90 OG1 THR A 9 3.122 8.072 3.798 1.00 0.00 O ATOM 91 CG2 THR A 9 4.094 5.963 4.005 1.00 0.00 C ATOM 0 H THR A 9 1.050 7.871 6.062 1.00 0.00 H new ATOM 0 HA THR A 9 1.434 6.164 3.637 1.00 0.00 H new ATOM 0 HB THR A 9 3.445 7.120 5.703 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.022 8.457 3.751 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.107 6.363 4.043 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.061 5.008 4.530 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.801 5.816 2.966 1.00 0.00 H new ATOM 99 N VAL A 10 1.884 4.067 4.953 1.00 0.00 N ATOM 100 CA VAL A 10 1.739 2.798 5.644 1.00 0.00 C ATOM 101 C VAL A 10 3.116 2.153 5.812 1.00 0.00 C ATOM 102 O VAL A 10 4.000 2.340 4.977 1.00 0.00 O ATOM 103 CB VAL A 10 0.748 1.904 4.895 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.346 0.698 5.745 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.482 2.700 4.454 1.00 0.00 C ATOM 0 H VAL A 10 2.326 4.005 4.036 1.00 0.00 H new ATOM 0 HA VAL A 10 1.328 2.952 6.642 1.00 0.00 H new ATOM 0 HB VAL A 10 1.244 1.530 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.359 0.080 5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.232 0.111 5.986 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.123 1.043 6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.171 2.042 3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.979 3.116 5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.173 3.510 3.793 1.00 0.00 H new ATOM 115 N ASP A 11 3.256 1.406 6.898 1.00 0.00 N ATOM 116 CA ASP A 11 4.511 0.733 7.186 1.00 0.00 C ATOM 117 C ASP A 11 4.238 -0.746 7.467 1.00 0.00 C ATOM 118 O ASP A 11 4.043 -1.138 8.617 1.00 0.00 O ATOM 119 CB ASP A 11 5.187 1.332 8.422 1.00 0.00 C ATOM 120 CG ASP A 11 4.228 1.863 9.489 1.00 0.00 C ATOM 121 OD1 ASP A 11 3.697 1.020 10.244 1.00 0.00 O ATOM 122 OD2 ASP A 11 4.049 3.099 9.526 1.00 0.00 O ATOM 0 H ASP A 11 2.521 1.252 7.588 1.00 0.00 H new ATOM 0 HA ASP A 11 5.165 0.855 6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.824 0.572 8.874 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.838 2.146 8.103 1.00 0.00 H new ATOM 127 N VAL A 12 4.234 -1.528 6.397 1.00 0.00 N ATOM 128 CA VAL A 12 3.988 -2.955 6.514 1.00 0.00 C ATOM 129 C VAL A 12 5.262 -3.650 6.999 1.00 0.00 C ATOM 130 O VAL A 12 6.362 -3.127 6.828 1.00 0.00 O ATOM 131 CB VAL A 12 3.475 -3.509 5.183 1.00 0.00 C ATOM 132 CG1 VAL A 12 3.028 -4.965 5.331 1.00 0.00 C ATOM 133 CG2 VAL A 12 2.344 -2.641 4.628 1.00 0.00 C ATOM 0 H VAL A 12 4.397 -1.200 5.445 1.00 0.00 H new ATOM 0 HA VAL A 12 3.210 -3.149 7.253 1.00 0.00 H new ATOM 0 HB VAL A 12 4.298 -3.483 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.668 -5.334 4.371 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.871 -5.573 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.226 -5.026 6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.997 -3.056 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.518 -2.620 5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.709 -1.627 4.467 1.00 0.00 H new ATOM 143 N ALA A 13 5.071 -4.817 7.595 1.00 0.00 N ATOM 144 CA ALA A 13 6.191 -5.589 8.106 1.00 0.00 C ATOM 145 C ALA A 13 6.188 -6.975 7.459 1.00 0.00 C ATOM 146 O ALA A 13 5.591 -7.911 7.991 1.00 0.00 O ATOM 147 CB ALA A 13 6.111 -5.657 9.633 1.00 0.00 C ATOM 0 H ALA A 13 4.157 -5.247 7.736 1.00 0.00 H new ATOM 0 HA ALA A 13 7.136 -5.109 7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.951 -6.236 10.016 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.148 -4.648 10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.177 -6.135 9.927 1.00 0.00 H new ATOM 153 N GLY A 14 6.860 -7.064 6.321 1.00 0.00 N ATOM 154 CA GLY A 14 6.942 -8.321 5.596 1.00 0.00 C ATOM 155 C GLY A 14 7.513 -9.429 6.483 1.00 0.00 C ATOM 156 O GLY A 14 7.508 -9.314 7.708 1.00 0.00 O ATOM 0 H GLY A 14 7.353 -6.286 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.951 -8.607 5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.570 -8.196 4.714 1.00 0.00 H new ATOM 160 N PRO A 15 8.005 -10.505 5.813 1.00 0.00 N ATOM 161 CA PRO A 15 7.972 -10.562 4.361 1.00 0.00 C ATOM 162 C PRO A 15 6.557 -10.850 3.855 1.00 0.00 C ATOM 163 O PRO A 15 5.590 -10.735 4.607 1.00 0.00 O ATOM 164 CB PRO A 15 8.969 -11.647 3.987 1.00 0.00 C ATOM 165 CG PRO A 15 9.177 -12.473 5.245 1.00 0.00 C ATOM 166 CD PRO A 15 8.603 -11.693 6.416 1.00 0.00 C ATOM 0 HA PRO A 15 8.243 -9.614 3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.588 -12.264 3.173 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.909 -11.213 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.683 -13.440 5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.238 -12.670 5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 15 7.860 -12.280 6.956 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.380 -11.425 7.132 1.00 0.00 H new ATOM 174 N ALA A 16 6.481 -11.218 2.585 1.00 0.00 N ATOM 175 CA ALA A 16 5.200 -11.523 1.970 1.00 0.00 C ATOM 176 C ALA A 16 4.748 -12.918 2.408 1.00 0.00 C ATOM 177 O ALA A 16 5.541 -13.692 2.943 1.00 0.00 O ATOM 178 CB ALA A 16 5.321 -11.400 0.450 1.00 0.00 C ATOM 0 H ALA A 16 7.285 -11.312 1.965 1.00 0.00 H new ATOM 0 HA ALA A 16 4.440 -10.813 2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.360 -11.629 -0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.616 -10.383 0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.074 -12.100 0.087 1.00 0.00 H new ATOM 184 N PRO A 17 3.442 -13.203 2.159 1.00 0.00 N ATOM 185 CA PRO A 17 2.571 -12.230 1.522 1.00 0.00 C ATOM 186 C PRO A 17 2.178 -11.122 2.501 1.00 0.00 C ATOM 187 O PRO A 17 2.447 -11.222 3.697 1.00 0.00 O ATOM 188 CB PRO A 17 1.381 -13.033 1.024 1.00 0.00 C ATOM 189 CG PRO A 17 1.404 -14.339 1.803 1.00 0.00 C ATOM 190 CD PRO A 17 2.762 -14.456 2.476 1.00 0.00 C ATOM 0 HA PRO A 17 3.056 -11.709 0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.448 -12.494 1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.455 -13.216 -0.048 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.607 -14.354 2.546 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.234 -15.184 1.136 1.00 0.00 H new ATOM 0 HD2 PRO A 17 2.660 -14.590 3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.318 -15.315 2.099 1.00 0.00 H new ATOM 198 N TRP A 18 1.548 -10.092 1.957 1.00 0.00 N ATOM 199 CA TRP A 18 1.115 -8.966 2.768 1.00 0.00 C ATOM 200 C TRP A 18 -0.253 -9.310 3.362 1.00 0.00 C ATOM 201 O TRP A 18 -0.407 -9.368 4.581 1.00 0.00 O ATOM 202 CB TRP A 18 1.104 -7.673 1.950 1.00 0.00 C ATOM 203 CG TRP A 18 2.389 -7.427 1.158 1.00 0.00 C ATOM 204 CD1 TRP A 18 2.574 -7.528 -0.166 1.00 0.00 C ATOM 205 CD2 TRP A 18 3.669 -7.033 1.696 1.00 0.00 C ATOM 206 NE1 TRP A 18 3.874 -7.228 -0.519 1.00 0.00 N ATOM 207 CE2 TRP A 18 4.561 -6.918 0.649 1.00 0.00 C ATOM 208 CE3 TRP A 18 4.059 -6.781 3.023 1.00 0.00 C ATOM 209 CZ2 TRP A 18 5.900 -6.549 0.821 1.00 0.00 C ATOM 210 CZ3 TRP A 18 5.401 -6.414 3.178 1.00 0.00 C ATOM 211 CH2 TRP A 18 6.312 -6.293 2.135 1.00 0.00 C ATOM 0 H TRP A 18 1.327 -10.013 0.964 1.00 0.00 H new ATOM 0 HA TRP A 18 1.814 -8.787 3.585 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.262 -7.700 1.258 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.937 -6.831 2.622 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.803 -7.809 -0.868 1.00 0.00 H new ATOM 0 HE1 TRP A 18 4.260 -7.233 -1.463 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.377 -6.864 3.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.579 -6.466 -0.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 5.753 -6.211 4.178 1.00 0.00 H new ATOM 0 HH2 TRP A 18 7.333 -6.003 2.337 1.00 0.00 H new ATOM 222 N GLY A 19 -1.211 -9.528 2.473 1.00 0.00 N ATOM 223 CA GLY A 19 -2.560 -9.865 2.894 1.00 0.00 C ATOM 224 C GLY A 19 -3.549 -8.768 2.493 1.00 0.00 C ATOM 225 O GLY A 19 -4.504 -8.494 3.217 1.00 0.00 O ATOM 0 H GLY A 19 -1.080 -9.478 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.859 -10.812 2.444 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.584 -10.004 3.975 1.00 0.00 H new ATOM 229 N PHE A 20 -3.285 -8.170 1.340 1.00 0.00 N ATOM 230 CA PHE A 20 -4.139 -7.109 0.834 1.00 0.00 C ATOM 231 C PHE A 20 -4.236 -7.164 -0.692 1.00 0.00 C ATOM 232 O PHE A 20 -3.311 -7.623 -1.360 1.00 0.00 O ATOM 233 CB PHE A 20 -3.497 -5.783 1.245 1.00 0.00 C ATOM 234 CG PHE A 20 -2.275 -5.398 0.409 1.00 0.00 C ATOM 235 CD1 PHE A 20 -2.440 -4.792 -0.797 1.00 0.00 C ATOM 236 CD2 PHE A 20 -1.023 -5.661 0.872 1.00 0.00 C ATOM 237 CE1 PHE A 20 -1.306 -4.435 -1.574 1.00 0.00 C ATOM 238 CE2 PHE A 20 0.111 -5.304 0.096 1.00 0.00 C ATOM 239 CZ PHE A 20 -0.055 -4.698 -1.111 1.00 0.00 C ATOM 0 H PHE A 20 -2.492 -8.400 0.742 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.145 -7.216 1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.242 -4.991 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.203 -5.843 2.293 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.434 -4.582 -1.164 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.892 -6.142 1.830 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.437 -3.955 -2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.105 -5.513 0.463 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.807 -4.426 -1.701 1.00 0.00 H new ATOM 249 N ARG A 21 -5.365 -6.690 -1.198 1.00 0.00 N ATOM 250 CA ARG A 21 -5.595 -6.679 -2.633 1.00 0.00 C ATOM 251 C ARG A 21 -5.704 -5.241 -3.142 1.00 0.00 C ATOM 252 O ARG A 21 -5.876 -4.311 -2.355 1.00 0.00 O ATOM 253 CB ARG A 21 -6.874 -7.438 -2.991 1.00 0.00 C ATOM 254 CG ARG A 21 -6.693 -8.944 -2.788 1.00 0.00 C ATOM 255 CD ARG A 21 -7.946 -9.710 -3.219 1.00 0.00 C ATOM 256 NE ARG A 21 -7.564 -11.000 -3.834 1.00 0.00 N ATOM 257 CZ ARG A 21 -8.441 -11.895 -4.310 1.00 0.00 C ATOM 258 NH1 ARG A 21 -9.755 -11.644 -4.244 1.00 0.00 N ATOM 259 NH2 ARG A 21 -8.003 -13.040 -4.851 1.00 0.00 N ATOM 0 H ARG A 21 -6.130 -6.311 -0.640 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.748 -7.173 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.698 -7.081 -2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.142 -7.237 -4.028 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.834 -9.291 -3.363 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.479 -9.150 -1.739 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.590 -9.885 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.520 -9.115 -3.929 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.571 -11.222 -3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.088 -10.772 -3.832 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.423 -12.325 -4.606 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.002 -13.231 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.670 -13.721 -5.213 1.00 0.00 H new ATOM 273 N ILE A 22 -5.600 -5.102 -4.456 1.00 0.00 N ATOM 274 CA ILE A 22 -5.685 -3.792 -5.079 1.00 0.00 C ATOM 275 C ILE A 22 -6.569 -3.882 -6.324 1.00 0.00 C ATOM 276 O ILE A 22 -7.004 -4.968 -6.705 1.00 0.00 O ATOM 277 CB ILE A 22 -4.286 -3.240 -5.357 1.00 0.00 C ATOM 278 CG1 ILE A 22 -3.524 -4.141 -6.331 1.00 0.00 C ATOM 279 CG2 ILE A 22 -3.513 -3.022 -4.055 1.00 0.00 C ATOM 280 CD1 ILE A 22 -2.479 -3.342 -7.114 1.00 0.00 C ATOM 0 H ILE A 22 -5.458 -5.875 -5.106 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.156 -3.078 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.393 -2.266 -5.835 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.035 -4.945 -5.781 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.224 -4.608 -7.024 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.522 -2.629 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.050 -2.311 -3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.415 -3.970 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.952 -4.006 -7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.974 -2.554 -7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.766 -2.897 -6.420 1.00 0.00 H new ATOM 292 N SER A 23 -6.810 -2.725 -6.925 1.00 0.00 N ATOM 293 CA SER A 23 -7.634 -2.659 -8.119 1.00 0.00 C ATOM 294 C SER A 23 -7.205 -1.474 -8.986 1.00 0.00 C ATOM 295 O SER A 23 -6.247 -0.776 -8.660 1.00 0.00 O ATOM 296 CB SER A 23 -9.117 -2.544 -7.759 1.00 0.00 C ATOM 297 OG SER A 23 -9.959 -3.018 -8.806 1.00 0.00 O ATOM 0 H SER A 23 -6.448 -1.826 -6.606 1.00 0.00 H new ATOM 0 HA SER A 23 -7.495 -3.582 -8.682 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.314 -3.112 -6.850 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.358 -1.503 -7.543 1.00 0.00 H new ATOM 0 HG SER A 23 -10.897 -2.929 -8.537 1.00 0.00 H new ATOM 303 N GLY A 24 -7.936 -1.283 -10.075 1.00 0.00 N ATOM 304 CA GLY A 24 -7.643 -0.194 -10.992 1.00 0.00 C ATOM 305 C GLY A 24 -6.193 -0.260 -11.476 1.00 0.00 C ATOM 306 O GLY A 24 -5.690 -1.336 -11.797 1.00 0.00 O ATOM 0 H GLY A 24 -8.730 -1.864 -10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.318 -0.242 -11.847 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.822 0.761 -10.497 1.00 0.00 H new ATOM 310 N GLY A 25 -5.562 0.904 -11.513 1.00 0.00 N ATOM 311 CA GLY A 25 -4.180 0.992 -11.952 1.00 0.00 C ATOM 312 C GLY A 25 -4.073 1.746 -13.279 1.00 0.00 C ATOM 313 O GLY A 25 -5.087 2.107 -13.876 1.00 0.00 O ATOM 0 H GLY A 25 -5.982 1.794 -11.246 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.585 1.499 -11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.766 -0.010 -12.065 1.00 0.00 H new ATOM 317 N ARG A 26 -2.836 1.962 -13.703 1.00 0.00 N ATOM 318 CA ARG A 26 -2.584 2.667 -14.948 1.00 0.00 C ATOM 319 C ARG A 26 -3.240 1.930 -16.117 1.00 0.00 C ATOM 320 O ARG A 26 -3.705 2.556 -17.069 1.00 0.00 O ATOM 321 CB ARG A 26 -1.083 2.797 -15.213 1.00 0.00 C ATOM 322 CG ARG A 26 -0.821 3.424 -16.584 1.00 0.00 C ATOM 323 CD ARG A 26 0.593 4.004 -16.660 1.00 0.00 C ATOM 324 NE ARG A 26 1.272 3.523 -17.884 1.00 0.00 N ATOM 325 CZ ARG A 26 2.599 3.550 -18.067 1.00 0.00 C ATOM 326 NH1 ARG A 26 3.398 4.035 -17.107 1.00 0.00 N ATOM 327 NH2 ARG A 26 3.127 3.093 -19.211 1.00 0.00 N ATOM 0 H ARG A 26 -1.998 1.661 -13.206 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.013 3.665 -14.857 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.624 3.408 -14.436 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -0.615 1.814 -15.163 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.952 2.673 -17.363 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.551 4.211 -16.774 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.549 5.093 -16.663 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.163 3.711 -15.779 1.00 0.00 H new ATOM 0 HE ARG A 26 0.693 3.147 -18.635 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.996 4.384 -16.237 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.408 4.056 -17.246 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.519 2.725 -19.942 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.137 3.114 -19.350 1.00 0.00 H new ATOM 341 N ASP A 27 -3.257 0.609 -16.008 1.00 0.00 N ATOM 342 CA ASP A 27 -3.848 -0.220 -17.045 1.00 0.00 C ATOM 343 C ASP A 27 -5.342 0.090 -17.149 1.00 0.00 C ATOM 344 O ASP A 27 -5.868 0.269 -18.247 1.00 0.00 O ATOM 345 CB ASP A 27 -3.695 -1.706 -16.715 1.00 0.00 C ATOM 346 CG ASP A 27 -3.580 -2.629 -17.930 1.00 0.00 C ATOM 347 OD1 ASP A 27 -4.530 -2.620 -18.741 1.00 0.00 O ATOM 348 OD2 ASP A 27 -2.544 -3.324 -18.019 1.00 0.00 O ATOM 0 H ASP A 27 -2.871 0.093 -15.218 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.336 -0.004 -17.983 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -2.809 -1.836 -16.094 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.551 -2.020 -16.118 1.00 0.00 H new ATOM 353 N PHE A 28 -5.985 0.145 -15.992 1.00 0.00 N ATOM 354 CA PHE A 28 -7.409 0.430 -15.940 1.00 0.00 C ATOM 355 C PHE A 28 -7.665 1.938 -15.903 1.00 0.00 C ATOM 356 O PHE A 28 -8.793 2.374 -15.680 1.00 0.00 O ATOM 357 CB PHE A 28 -7.944 -0.198 -14.651 1.00 0.00 C ATOM 358 CG PHE A 28 -7.989 -1.727 -14.675 1.00 0.00 C ATOM 359 CD1 PHE A 28 -6.912 -2.445 -14.258 1.00 0.00 C ATOM 360 CD2 PHE A 28 -9.105 -2.367 -15.114 1.00 0.00 C ATOM 361 CE1 PHE A 28 -6.953 -3.865 -14.281 1.00 0.00 C ATOM 362 CE2 PHE A 28 -9.147 -3.787 -15.136 1.00 0.00 C ATOM 363 CZ PHE A 28 -8.070 -4.505 -14.720 1.00 0.00 C ATOM 0 H PHE A 28 -5.546 -0.003 -15.083 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.902 0.026 -16.824 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.321 0.124 -13.817 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.948 0.182 -14.464 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.026 -1.936 -13.909 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -9.960 -1.796 -15.446 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -6.098 -4.436 -13.950 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.034 -4.296 -15.483 1.00 0.00 H new ATOM 0 HZ PHE A 28 -8.101 -5.584 -14.738 1.00 0.00 H new ATOM 373 N HIS A 29 -6.599 2.692 -16.125 1.00 0.00 N ATOM 374 CA HIS A 29 -6.694 4.142 -16.121 1.00 0.00 C ATOM 375 C HIS A 29 -7.313 4.612 -14.802 1.00 0.00 C ATOM 376 O HIS A 29 -7.950 5.663 -14.751 1.00 0.00 O ATOM 377 CB HIS A 29 -7.462 4.640 -17.347 1.00 0.00 C ATOM 378 CG HIS A 29 -6.844 4.237 -18.664 1.00 0.00 C ATOM 379 ND1 HIS A 29 -7.098 4.908 -19.848 1.00 0.00 N ATOM 380 CD2 HIS A 29 -5.980 3.227 -18.971 1.00 0.00 C ATOM 381 CE1 HIS A 29 -6.413 4.319 -20.817 1.00 0.00 C ATOM 382 NE2 HIS A 29 -5.722 3.277 -20.272 1.00 0.00 N ATOM 0 H HIS A 29 -5.665 2.326 -16.309 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.696 4.576 -16.189 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.482 4.258 -17.304 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.527 5.727 -17.305 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.575 2.509 -18.274 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.403 4.612 -21.856 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.108 2.641 -20.781 1.00 0.00 H new ATOM 390 N THR A 30 -7.103 3.810 -13.769 1.00 0.00 N ATOM 391 CA THR A 30 -7.632 4.130 -12.454 1.00 0.00 C ATOM 392 C THR A 30 -6.526 4.052 -11.400 1.00 0.00 C ATOM 393 O THR A 30 -5.491 3.426 -11.626 1.00 0.00 O ATOM 394 CB THR A 30 -8.805 3.188 -12.174 1.00 0.00 C ATOM 395 OG1 THR A 30 -8.411 1.956 -12.773 1.00 0.00 O ATOM 396 CG2 THR A 30 -10.070 3.585 -12.937 1.00 0.00 C ATOM 0 H THR A 30 -6.574 2.939 -13.816 1.00 0.00 H new ATOM 0 HA THR A 30 -8.002 5.154 -12.416 1.00 0.00 H new ATOM 0 HB THR A 30 -9.015 3.178 -11.104 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.175 1.343 -12.794 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.871 2.884 -12.703 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.371 4.591 -12.645 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.871 3.563 -14.008 1.00 0.00 H new ATOM 404 N PRO A 31 -6.788 4.715 -10.242 1.00 0.00 N ATOM 405 CA PRO A 31 -5.826 4.727 -9.153 1.00 0.00 C ATOM 406 C PRO A 31 -5.810 3.383 -8.421 1.00 0.00 C ATOM 407 O PRO A 31 -6.847 2.739 -8.274 1.00 0.00 O ATOM 408 CB PRO A 31 -6.254 5.882 -8.263 1.00 0.00 C ATOM 409 CG PRO A 31 -7.699 6.179 -8.631 1.00 0.00 C ATOM 410 CD PRO A 31 -8.002 5.467 -9.939 1.00 0.00 C ATOM 0 HA PRO A 31 -4.801 4.866 -9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.166 5.617 -7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.622 6.755 -8.426 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.371 5.836 -7.845 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.853 7.253 -8.736 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -8.863 4.806 -9.840 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.236 6.178 -10.732 1.00 0.00 H new ATOM 418 N ILE A 32 -4.620 3.000 -7.982 1.00 0.00 N ATOM 419 CA ILE A 32 -4.454 1.744 -7.269 1.00 0.00 C ATOM 420 C ILE A 32 -5.183 1.825 -5.926 1.00 0.00 C ATOM 421 O ILE A 32 -4.682 2.429 -4.979 1.00 0.00 O ATOM 422 CB ILE A 32 -2.971 1.391 -7.143 1.00 0.00 C ATOM 423 CG1 ILE A 32 -2.290 1.390 -8.513 1.00 0.00 C ATOM 424 CG2 ILE A 32 -2.784 0.062 -6.409 1.00 0.00 C ATOM 425 CD1 ILE A 32 -2.349 0.002 -9.155 1.00 0.00 C ATOM 0 H ILE A 32 -3.762 3.537 -8.106 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.906 0.925 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.486 2.161 -6.543 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.775 2.117 -9.165 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.251 1.701 -8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.721 -0.165 -6.333 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.212 0.135 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.286 -0.732 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.858 0.030 -10.128 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.842 -0.718 -8.513 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -3.390 -0.296 -9.283 1.00 0.00 H new ATOM 437 N ILE A 33 -6.355 1.207 -5.887 1.00 0.00 N ATOM 438 CA ILE A 33 -7.157 1.202 -4.676 1.00 0.00 C ATOM 439 C ILE A 33 -7.185 -0.213 -4.094 1.00 0.00 C ATOM 440 O ILE A 33 -7.087 -1.193 -4.831 1.00 0.00 O ATOM 441 CB ILE A 33 -8.547 1.781 -4.951 1.00 0.00 C ATOM 442 CG1 ILE A 33 -8.470 3.284 -5.226 1.00 0.00 C ATOM 443 CG2 ILE A 33 -9.512 1.455 -3.810 1.00 0.00 C ATOM 444 CD1 ILE A 33 -9.396 3.679 -6.378 1.00 0.00 C ATOM 0 H ILE A 33 -6.768 0.707 -6.674 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.711 1.849 -3.921 1.00 0.00 H new ATOM 0 HB ILE A 33 -8.942 1.309 -5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.746 3.836 -4.328 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.444 3.561 -5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.492 1.878 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.599 0.374 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.134 1.881 -2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.322 4.752 -6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.102 3.143 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -10.424 3.423 -6.122 1.00 0.00 H new ATOM 456 N VAL A 34 -7.320 -0.274 -2.777 1.00 0.00 N ATOM 457 CA VAL A 34 -7.361 -1.553 -2.088 1.00 0.00 C ATOM 458 C VAL A 34 -8.805 -2.058 -2.047 1.00 0.00 C ATOM 459 O VAL A 34 -9.715 -1.319 -1.672 1.00 0.00 O ATOM 460 CB VAL A 34 -6.735 -1.419 -0.699 1.00 0.00 C ATOM 461 CG1 VAL A 34 -6.799 -2.745 0.062 1.00 0.00 C ATOM 462 CG2 VAL A 34 -5.295 -0.910 -0.793 1.00 0.00 C ATOM 0 H VAL A 34 -7.402 0.541 -2.169 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.771 -2.296 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.314 -0.684 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.347 -2.622 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.839 -3.049 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.256 -3.510 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.873 -0.824 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.699 -1.610 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.285 0.067 -1.276 1.00 0.00 H new ATOM 472 N THR A 35 -8.971 -3.313 -2.436 1.00 0.00 N ATOM 473 CA THR A 35 -10.288 -3.926 -2.449 1.00 0.00 C ATOM 474 C THR A 35 -10.577 -4.596 -1.104 1.00 0.00 C ATOM 475 O THR A 35 -11.626 -4.365 -0.504 1.00 0.00 O ATOM 476 CB THR A 35 -10.350 -4.891 -3.634 1.00 0.00 C ATOM 477 OG1 THR A 35 -9.085 -5.547 -3.614 1.00 0.00 O ATOM 478 CG2 THR A 35 -10.372 -4.164 -4.980 1.00 0.00 C ATOM 0 H THR A 35 -8.214 -3.923 -2.745 1.00 0.00 H new ATOM 0 HA THR A 35 -11.071 -3.179 -2.580 1.00 0.00 H new ATOM 0 HB THR A 35 -11.237 -5.518 -3.546 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.040 -6.193 -4.350 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.416 -4.895 -5.788 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.247 -3.516 -5.029 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.469 -3.563 -5.084 1.00 0.00 H new ATOM 486 N LYS A 36 -9.628 -5.413 -0.670 1.00 0.00 N ATOM 487 CA LYS A 36 -9.768 -6.118 0.592 1.00 0.00 C ATOM 488 C LYS A 36 -8.470 -5.984 1.393 1.00 0.00 C ATOM 489 O LYS A 36 -7.433 -5.615 0.843 1.00 0.00 O ATOM 490 CB LYS A 36 -10.195 -7.567 0.352 1.00 0.00 C ATOM 491 CG LYS A 36 -11.668 -7.772 0.711 1.00 0.00 C ATOM 492 CD LYS A 36 -11.863 -7.804 2.229 1.00 0.00 C ATOM 493 CE LYS A 36 -12.648 -6.581 2.706 1.00 0.00 C ATOM 494 NZ LYS A 36 -12.576 -6.461 4.180 1.00 0.00 N ATOM 0 H LYS A 36 -8.759 -5.602 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.561 -5.671 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.032 -7.829 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.575 -8.236 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.266 -6.969 0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.026 -8.705 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.392 -8.714 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.892 -7.833 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.247 -5.680 2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.689 -6.664 2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.114 -5.626 4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.980 -7.313 4.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.583 -6.360 4.472 1.00 0.00 H new ATOM 508 N VAL A 37 -8.571 -6.291 2.678 1.00 0.00 N ATOM 509 CA VAL A 37 -7.418 -6.209 3.559 1.00 0.00 C ATOM 510 C VAL A 37 -7.480 -7.348 4.579 1.00 0.00 C ATOM 511 O VAL A 37 -8.156 -7.235 5.600 1.00 0.00 O ATOM 512 CB VAL A 37 -7.355 -4.826 4.210 1.00 0.00 C ATOM 513 CG1 VAL A 37 -6.219 -4.753 5.233 1.00 0.00 C ATOM 514 CG2 VAL A 37 -7.213 -3.728 3.154 1.00 0.00 C ATOM 0 H VAL A 37 -9.433 -6.597 3.130 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.494 -6.329 2.993 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.294 -4.662 4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.196 -3.760 5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.382 -5.498 6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.269 -4.949 4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.171 -2.755 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.298 -3.887 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.070 -3.758 2.481 1.00 0.00 H new ATOM 524 N THR A 38 -6.765 -8.419 4.266 1.00 0.00 N ATOM 525 CA THR A 38 -6.730 -9.577 5.142 1.00 0.00 C ATOM 526 C THR A 38 -6.429 -9.149 6.580 1.00 0.00 C ATOM 527 O THR A 38 -5.449 -8.450 6.831 1.00 0.00 O ATOM 528 CB THR A 38 -5.710 -10.567 4.577 1.00 0.00 C ATOM 529 OG1 THR A 38 -6.075 -10.696 3.205 1.00 0.00 O ATOM 530 CG2 THR A 38 -5.886 -11.977 5.143 1.00 0.00 C ATOM 0 H THR A 38 -6.206 -8.509 3.418 1.00 0.00 H new ATOM 0 HA THR A 38 -7.700 -10.073 5.180 1.00 0.00 H new ATOM 0 HB THR A 38 -4.702 -10.212 4.794 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.463 -11.320 2.761 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.137 -12.639 4.709 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.765 -11.952 6.226 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.882 -12.346 4.898 1.00 0.00 H new ATOM 606 N ALA A 43 -0.490 -6.348 6.152 1.00 0.00 N ATOM 607 CA ALA A 43 -1.177 -5.120 5.791 1.00 0.00 C ATOM 608 C ALA A 43 -1.874 -4.549 7.028 1.00 0.00 C ATOM 609 O ALA A 43 -1.430 -3.548 7.588 1.00 0.00 O ATOM 610 CB ALA A 43 -2.155 -5.399 4.648 1.00 0.00 C ATOM 0 HA ALA A 43 -0.467 -4.372 5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.670 -4.478 4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.607 -5.776 3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.885 -6.143 4.967 1.00 0.00 H new ATOM 616 N GLU A 44 -2.954 -5.210 7.418 1.00 0.00 N ATOM 617 CA GLU A 44 -3.716 -4.781 8.578 1.00 0.00 C ATOM 618 C GLU A 44 -2.777 -4.465 9.743 1.00 0.00 C ATOM 619 O GLU A 44 -3.009 -3.519 10.494 1.00 0.00 O ATOM 620 CB GLU A 44 -4.749 -5.837 8.977 1.00 0.00 C ATOM 621 CG GLU A 44 -5.911 -5.205 9.746 1.00 0.00 C ATOM 622 CD GLU A 44 -7.159 -5.103 8.866 1.00 0.00 C ATOM 623 OE1 GLU A 44 -7.503 -6.133 8.248 1.00 0.00 O ATOM 624 OE2 GLU A 44 -7.740 -3.997 8.832 1.00 0.00 O ATOM 0 H GLU A 44 -3.319 -6.040 6.951 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.257 -3.872 8.316 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.127 -6.336 8.085 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.274 -6.601 9.592 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.133 -5.801 10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.625 -4.212 10.094 1.00 0.00 H new ATOM 631 N ALA A 45 -1.735 -5.275 9.858 1.00 0.00 N ATOM 632 CA ALA A 45 -0.759 -5.094 10.919 1.00 0.00 C ATOM 633 C ALA A 45 -0.383 -3.614 11.013 1.00 0.00 C ATOM 634 O ALA A 45 -0.313 -3.055 12.106 1.00 0.00 O ATOM 635 CB ALA A 45 0.454 -5.989 10.656 1.00 0.00 C ATOM 0 H ALA A 45 -1.545 -6.059 9.233 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.179 -5.389 11.881 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.186 -5.853 11.452 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.138 -7.032 10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.904 -5.721 9.700 1.00 0.00 H new ATOM 641 N ALA A 46 -0.149 -3.021 9.851 1.00 0.00 N ATOM 642 CA ALA A 46 0.218 -1.617 9.788 1.00 0.00 C ATOM 643 C ALA A 46 -1.033 -0.758 9.982 1.00 0.00 C ATOM 644 O ALA A 46 -1.274 -0.243 11.073 1.00 0.00 O ATOM 645 CB ALA A 46 0.921 -1.332 8.459 1.00 0.00 C ATOM 0 H ALA A 46 -0.207 -3.488 8.946 1.00 0.00 H new ATOM 0 HA ALA A 46 0.917 -1.367 10.586 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.196 -0.278 8.412 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.819 -1.945 8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.249 -1.569 7.634 1.00 0.00 H new ATOM 651 N ASP A 47 -1.796 -0.628 8.906 1.00 0.00 N ATOM 652 CA ASP A 47 -3.016 0.160 8.944 1.00 0.00 C ATOM 653 C ASP A 47 -3.553 0.328 7.521 1.00 0.00 C ATOM 654 O ASP A 47 -4.008 1.409 7.150 1.00 0.00 O ATOM 655 CB ASP A 47 -2.754 1.553 9.518 1.00 0.00 C ATOM 656 CG ASP A 47 -3.744 2.007 10.593 1.00 0.00 C ATOM 657 OD1 ASP A 47 -4.960 1.875 10.335 1.00 0.00 O ATOM 658 OD2 ASP A 47 -3.262 2.475 11.647 1.00 0.00 O ATOM 0 H ASP A 47 -1.592 -1.055 8.003 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.735 -0.361 9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.749 1.573 9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.771 2.275 8.702 1.00 0.00 H new ATOM 663 N LEU A 48 -3.483 -0.757 6.764 1.00 0.00 N ATOM 664 CA LEU A 48 -3.957 -0.743 5.391 1.00 0.00 C ATOM 665 C LEU A 48 -5.427 -1.166 5.359 1.00 0.00 C ATOM 666 O LEU A 48 -5.804 -2.162 5.975 1.00 0.00 O ATOM 667 CB LEU A 48 -3.052 -1.599 4.503 1.00 0.00 C ATOM 668 CG LEU A 48 -3.418 -1.644 3.018 1.00 0.00 C ATOM 669 CD1 LEU A 48 -3.342 -0.250 2.392 1.00 0.00 C ATOM 670 CD2 LEU A 48 -2.548 -2.656 2.269 1.00 0.00 C ATOM 0 H LEU A 48 -3.105 -1.652 7.076 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.906 0.266 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.031 -1.228 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.057 -2.618 4.889 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.451 -1.980 2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.607 -0.310 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.037 0.417 2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.328 0.138 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.829 -2.668 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.499 -2.373 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.695 -3.648 2.695 1.00 0.00 H new ATOM 682 N ARG A 49 -6.218 -0.388 4.635 1.00 0.00 N ATOM 683 CA ARG A 49 -7.639 -0.669 4.515 1.00 0.00 C ATOM 684 C ARG A 49 -8.077 -0.573 3.052 1.00 0.00 C ATOM 685 O ARG A 49 -7.409 0.066 2.241 1.00 0.00 O ATOM 686 CB ARG A 49 -8.467 0.307 5.353 1.00 0.00 C ATOM 687 CG ARG A 49 -8.880 -0.327 6.683 1.00 0.00 C ATOM 688 CD ARG A 49 -9.363 0.737 7.670 1.00 0.00 C ATOM 689 NE ARG A 49 -8.383 0.893 8.768 1.00 0.00 N ATOM 690 CZ ARG A 49 -8.227 0.013 9.766 1.00 0.00 C ATOM 691 NH1 ARG A 49 -8.986 -1.091 9.812 1.00 0.00 N ATOM 692 NH2 ARG A 49 -7.311 0.236 10.719 1.00 0.00 N ATOM 0 H ARG A 49 -5.902 0.437 4.125 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.809 -1.681 4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.889 1.212 5.541 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.356 0.606 4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.672 -1.056 6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.036 -0.868 7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.498 1.688 7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.334 0.454 8.076 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.789 1.722 8.765 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.683 -1.261 9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.867 -1.761 10.572 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.733 1.076 10.684 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.192 -0.434 11.479 1.00 0.00 H new ATOM 706 N PRO A 50 -9.227 -1.235 2.752 1.00 0.00 N ATOM 707 CA PRO A 50 -9.762 -1.230 1.401 1.00 0.00 C ATOM 708 C PRO A 50 -10.410 0.116 1.073 1.00 0.00 C ATOM 709 O PRO A 50 -11.282 0.584 1.804 1.00 0.00 O ATOM 710 CB PRO A 50 -10.746 -2.388 1.364 1.00 0.00 C ATOM 711 CG PRO A 50 -11.071 -2.706 2.814 1.00 0.00 C ATOM 712 CD PRO A 50 -10.045 -2.002 3.687 1.00 0.00 C ATOM 0 HA PRO A 50 -8.990 -1.356 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.646 -2.118 0.812 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.312 -3.253 0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.078 -2.370 3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.043 -3.782 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.526 -1.352 4.418 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.442 -2.718 4.245 1.00 0.00 H new ATOM 720 N GLY A 51 -9.960 0.702 -0.027 1.00 0.00 N ATOM 721 CA GLY A 51 -10.485 1.985 -0.461 1.00 0.00 C ATOM 722 C GLY A 51 -9.389 3.052 -0.470 1.00 0.00 C ATOM 723 O GLY A 51 -9.562 4.120 -1.054 1.00 0.00 O ATOM 0 H GLY A 51 -9.237 0.311 -0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.911 1.888 -1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.293 2.294 0.202 1.00 0.00 H new ATOM 727 N ASP A 52 -8.284 2.724 0.184 1.00 0.00 N ATOM 728 CA ASP A 52 -7.159 3.641 0.258 1.00 0.00 C ATOM 729 C ASP A 52 -6.481 3.722 -1.111 1.00 0.00 C ATOM 730 O ASP A 52 -6.078 2.702 -1.669 1.00 0.00 O ATOM 731 CB ASP A 52 -6.120 3.157 1.272 1.00 0.00 C ATOM 732 CG ASP A 52 -6.518 3.333 2.739 1.00 0.00 C ATOM 733 OD1 ASP A 52 -6.994 4.440 3.069 1.00 0.00 O ATOM 734 OD2 ASP A 52 -6.337 2.356 3.498 1.00 0.00 O ATOM 0 H ASP A 52 -8.144 1.837 0.667 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.538 4.615 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.920 2.101 1.089 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.187 3.693 1.097 1.00 0.00 H new ATOM 739 N ILE A 53 -6.375 4.944 -1.612 1.00 0.00 N ATOM 740 CA ILE A 53 -5.752 5.171 -2.905 1.00 0.00 C ATOM 741 C ILE A 53 -4.233 5.221 -2.733 1.00 0.00 C ATOM 742 O ILE A 53 -3.706 6.140 -2.107 1.00 0.00 O ATOM 743 CB ILE A 53 -6.338 6.419 -3.569 1.00 0.00 C ATOM 744 CG1 ILE A 53 -7.799 6.195 -3.964 1.00 0.00 C ATOM 745 CG2 ILE A 53 -5.483 6.858 -4.760 1.00 0.00 C ATOM 746 CD1 ILE A 53 -8.504 7.526 -4.232 1.00 0.00 C ATOM 0 H ILE A 53 -6.710 5.787 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.968 4.345 -3.583 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.322 7.232 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.847 5.568 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.317 5.659 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.921 7.747 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.473 7.085 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.445 6.055 -5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.541 7.339 -4.511 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -8.475 8.140 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.999 8.048 -5.044 1.00 0.00 H new ATOM 758 N ILE A 54 -3.572 4.223 -3.299 1.00 0.00 N ATOM 759 CA ILE A 54 -2.123 4.141 -3.216 1.00 0.00 C ATOM 760 C ILE A 54 -1.505 5.223 -4.104 1.00 0.00 C ATOM 761 O ILE A 54 -1.605 5.159 -5.328 1.00 0.00 O ATOM 762 CB ILE A 54 -1.646 2.726 -3.549 1.00 0.00 C ATOM 763 CG1 ILE A 54 -1.980 1.755 -2.415 1.00 0.00 C ATOM 764 CG2 ILE A 54 -0.155 2.717 -3.891 1.00 0.00 C ATOM 765 CD1 ILE A 54 -1.432 0.357 -2.712 1.00 0.00 C ATOM 0 H ILE A 54 -4.013 3.463 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.788 4.333 -2.197 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.181 2.384 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.559 2.124 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.060 1.705 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.159 1.699 -4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.024 3.358 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.416 3.087 -3.039 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.683 -0.314 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.874 -0.018 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.349 0.407 -2.822 1.00 0.00 H new ATOM 777 N VAL A 55 -0.879 6.192 -3.451 1.00 0.00 N ATOM 778 CA VAL A 55 -0.244 7.287 -4.166 1.00 0.00 C ATOM 779 C VAL A 55 1.117 6.826 -4.690 1.00 0.00 C ATOM 780 O VAL A 55 1.433 7.021 -5.863 1.00 0.00 O ATOM 781 CB VAL A 55 -0.152 8.518 -3.262 1.00 0.00 C ATOM 782 CG1 VAL A 55 -0.197 9.807 -4.086 1.00 0.00 C ATOM 783 CG2 VAL A 55 -1.256 8.505 -2.203 1.00 0.00 C ATOM 0 H VAL A 55 -0.798 6.242 -2.435 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.842 7.579 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 55 0.807 8.484 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.130 10.667 -3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.640 9.822 -4.784 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.133 9.851 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.167 9.391 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.230 8.504 -2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.158 7.611 -1.587 1.00 0.00 H new ATOM 793 N ALA A 56 1.887 6.224 -3.796 1.00 0.00 N ATOM 794 CA ALA A 56 3.207 5.735 -4.153 1.00 0.00 C ATOM 795 C ALA A 56 3.392 4.323 -3.593 1.00 0.00 C ATOM 796 O ALA A 56 2.573 3.852 -2.805 1.00 0.00 O ATOM 797 CB ALA A 56 4.270 6.709 -3.639 1.00 0.00 C ATOM 0 H ALA A 56 1.621 6.064 -2.824 1.00 0.00 H new ATOM 0 HA ALA A 56 3.314 5.677 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.260 6.341 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.113 7.689 -4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.195 6.791 -2.555 1.00 0.00 H new ATOM 803 N ILE A 57 4.472 3.687 -4.023 1.00 0.00 N ATOM 804 CA ILE A 57 4.774 2.338 -3.575 1.00 0.00 C ATOM 805 C ILE A 57 6.226 2.277 -3.096 1.00 0.00 C ATOM 806 O ILE A 57 7.148 2.209 -3.907 1.00 0.00 O ATOM 807 CB ILE A 57 4.445 1.323 -4.671 1.00 0.00 C ATOM 808 CG1 ILE A 57 2.933 1.209 -4.877 1.00 0.00 C ATOM 809 CG2 ILE A 57 5.086 -0.034 -4.372 1.00 0.00 C ATOM 810 CD1 ILE A 57 2.605 0.206 -5.985 1.00 0.00 C ATOM 0 H ILE A 57 5.149 4.081 -4.677 1.00 0.00 H new ATOM 0 HA ILE A 57 4.146 2.070 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 57 4.872 1.682 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.458 0.897 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.522 2.186 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.836 -0.737 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.169 0.080 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.710 -0.412 -3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.524 0.144 -6.111 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.061 0.534 -6.919 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.996 -0.775 -5.715 1.00 0.00 H new ATOM 822 N ASN A 58 6.384 2.305 -1.781 1.00 0.00 N ATOM 823 CA ASN A 58 7.708 2.254 -1.185 1.00 0.00 C ATOM 824 C ASN A 58 8.413 3.594 -1.404 1.00 0.00 C ATOM 825 O ASN A 58 9.596 3.735 -1.097 1.00 0.00 O ATOM 826 CB ASN A 58 8.561 1.160 -1.830 1.00 0.00 C ATOM 827 CG ASN A 58 9.082 0.179 -0.778 1.00 0.00 C ATOM 828 OD1 ASN A 58 8.919 0.365 0.417 1.00 0.00 O ATOM 829 ND2 ASN A 58 9.717 -0.873 -1.287 1.00 0.00 N ATOM 0 H ASN A 58 5.617 2.362 -1.111 1.00 0.00 H new ATOM 0 HA ASN A 58 7.591 2.041 -0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.970 0.623 -2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.401 1.612 -2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.103 -1.585 -0.667 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.818 -0.968 -2.298 1.00 0.00 H new ATOM 836 N GLY A 59 7.657 4.545 -1.933 1.00 0.00 N ATOM 837 CA GLY A 59 8.194 5.868 -2.196 1.00 0.00 C ATOM 838 C GLY A 59 8.109 6.208 -3.686 1.00 0.00 C ATOM 839 O GLY A 59 8.275 7.364 -4.073 1.00 0.00 O ATOM 0 H GLY A 59 6.676 4.425 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.643 6.610 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.232 5.915 -1.867 1.00 0.00 H new ATOM 843 N GLN A 60 7.850 5.180 -4.481 1.00 0.00 N ATOM 844 CA GLN A 60 7.740 5.356 -5.919 1.00 0.00 C ATOM 845 C GLN A 60 6.288 5.633 -6.311 1.00 0.00 C ATOM 846 O GLN A 60 5.404 4.819 -6.047 1.00 0.00 O ATOM 847 CB GLN A 60 8.286 4.135 -6.663 1.00 0.00 C ATOM 848 CG GLN A 60 8.000 4.234 -8.163 1.00 0.00 C ATOM 849 CD GLN A 60 9.280 4.531 -8.947 1.00 0.00 C ATOM 850 OE1 GLN A 60 10.167 5.234 -8.493 1.00 0.00 O ATOM 851 NE2 GLN A 60 9.325 3.958 -10.146 1.00 0.00 N ATOM 0 H GLN A 60 7.713 4.223 -4.157 1.00 0.00 H new ATOM 0 HA GLN A 60 8.343 6.217 -6.208 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.361 4.055 -6.499 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.834 3.228 -6.262 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.562 3.300 -8.516 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.267 5.019 -8.346 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.547 3.381 -10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.138 4.096 -10.747 1.00 0.00 H new ATOM 860 N SER A 61 6.086 6.784 -6.935 1.00 0.00 N ATOM 861 CA SER A 61 4.755 7.179 -7.365 1.00 0.00 C ATOM 862 C SER A 61 4.011 5.971 -7.938 1.00 0.00 C ATOM 863 O SER A 61 4.624 5.079 -8.523 1.00 0.00 O ATOM 864 CB SER A 61 4.823 8.301 -8.403 1.00 0.00 C ATOM 865 OG SER A 61 4.670 9.587 -7.810 1.00 0.00 O ATOM 0 H SER A 61 6.822 7.456 -7.153 1.00 0.00 H new ATOM 0 HA SER A 61 4.212 7.555 -6.498 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.779 8.254 -8.925 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.044 8.151 -9.150 1.00 0.00 H new ATOM 0 HG SER A 61 4.721 10.276 -8.505 1.00 0.00 H new ATOM 871 N ALA A 62 2.700 5.980 -7.748 1.00 0.00 N ATOM 872 CA ALA A 62 1.865 4.896 -8.238 1.00 0.00 C ATOM 873 C ALA A 62 0.737 5.474 -9.095 1.00 0.00 C ATOM 874 O ALA A 62 -0.218 4.773 -9.424 1.00 0.00 O ATOM 875 CB ALA A 62 1.339 4.081 -7.054 1.00 0.00 C ATOM 0 H ALA A 62 2.195 6.721 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 62 2.444 4.220 -8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.713 3.268 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.179 3.668 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.750 4.726 -6.401 1.00 0.00 H new ATOM 881 N GLU A 63 0.885 6.747 -9.431 1.00 0.00 N ATOM 882 CA GLU A 63 -0.109 7.427 -10.243 1.00 0.00 C ATOM 883 C GLU A 63 -0.220 6.760 -11.616 1.00 0.00 C ATOM 884 O GLU A 63 -1.303 6.703 -12.196 1.00 0.00 O ATOM 885 CB GLU A 63 0.220 8.914 -10.382 1.00 0.00 C ATOM 886 CG GLU A 63 -0.612 9.753 -9.409 1.00 0.00 C ATOM 887 CD GLU A 63 -2.001 10.041 -9.983 1.00 0.00 C ATOM 888 OE1 GLU A 63 -2.052 10.470 -11.156 1.00 0.00 O ATOM 889 OE2 GLU A 63 -2.979 9.826 -9.236 1.00 0.00 O ATOM 0 H GLU A 63 1.679 7.325 -9.155 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.074 7.347 -9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.281 9.075 -10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.027 9.239 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.709 9.226 -8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.098 10.692 -9.202 1.00 0.00 H new ATOM 896 N ASN A 64 0.915 6.271 -12.094 1.00 0.00 N ATOM 897 CA ASN A 64 0.959 5.610 -13.387 1.00 0.00 C ATOM 898 C ASN A 64 1.517 4.197 -13.214 1.00 0.00 C ATOM 899 O ASN A 64 2.399 3.777 -13.963 1.00 0.00 O ATOM 900 CB ASN A 64 1.869 6.363 -14.360 1.00 0.00 C ATOM 901 CG ASN A 64 3.274 6.529 -13.778 1.00 0.00 C ATOM 902 OD1 ASN A 64 4.212 5.840 -14.145 1.00 0.00 O ATOM 903 ND2 ASN A 64 3.368 7.480 -12.853 1.00 0.00 N ATOM 0 H ASN A 64 1.811 6.319 -11.609 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.054 5.585 -13.788 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.924 5.822 -15.305 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.443 7.343 -14.578 1.00 0.00 H new ATOM 0 HD21 ASN A 64 4.265 7.669 -12.405 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.543 8.021 -12.592 1.00 0.00 H new ATOM 910 N MET A 65 0.982 3.501 -12.222 1.00 0.00 N ATOM 911 CA MET A 65 1.416 2.143 -11.941 1.00 0.00 C ATOM 912 C MET A 65 0.357 1.128 -12.376 1.00 0.00 C ATOM 913 O MET A 65 -0.678 0.988 -11.726 1.00 0.00 O ATOM 914 CB MET A 65 1.682 1.992 -10.442 1.00 0.00 C ATOM 915 CG MET A 65 3.173 2.143 -10.132 1.00 0.00 C ATOM 916 SD MET A 65 3.471 1.839 -8.399 1.00 0.00 S ATOM 917 CE MET A 65 5.202 2.261 -8.303 1.00 0.00 C ATOM 0 H MET A 65 0.252 3.852 -11.603 1.00 0.00 H new ATOM 0 HA MET A 65 2.330 1.950 -12.503 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.115 2.742 -9.891 1.00 0.00 H new ATOM 0 HB3 MET A 65 1.333 1.016 -10.104 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.751 1.444 -10.737 1.00 0.00 H new ATOM 0 HG3 MET A 65 3.508 3.146 -10.396 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.795 1.349 -8.230 1.00 0.00 H new ATOM 0 HE2 MET A 65 5.492 2.812 -9.197 1.00 0.00 H new ATOM 0 HE3 MET A 65 5.377 2.879 -7.423 1.00 0.00 H new ATOM 927 N LEU A 66 0.653 0.445 -13.472 1.00 0.00 N ATOM 928 CA LEU A 66 -0.261 -0.553 -14.002 1.00 0.00 C ATOM 929 C LEU A 66 -0.659 -1.518 -12.883 1.00 0.00 C ATOM 930 O LEU A 66 -0.012 -1.563 -11.838 1.00 0.00 O ATOM 931 CB LEU A 66 0.350 -1.245 -15.222 1.00 0.00 C ATOM 932 CG LEU A 66 0.856 -0.323 -16.333 1.00 0.00 C ATOM 933 CD1 LEU A 66 2.152 -0.859 -16.944 1.00 0.00 C ATOM 934 CD2 LEU A 66 -0.226 -0.095 -17.391 1.00 0.00 C ATOM 0 H LEU A 66 1.513 0.563 -14.008 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.177 -0.081 -14.358 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.181 -1.865 -14.885 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.397 -1.916 -15.646 1.00 0.00 H new ATOM 0 HG LEU A 66 1.086 0.647 -15.893 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.489 -0.184 -17.731 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.918 -0.927 -16.171 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.974 -1.848 -17.366 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.159 0.564 -18.169 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.511 -1.050 -17.832 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.098 0.364 -16.926 1.00 0.00 H new ATOM 946 N HIS A 67 -1.722 -2.265 -13.141 1.00 0.00 N ATOM 947 CA HIS A 67 -2.215 -3.226 -12.168 1.00 0.00 C ATOM 948 C HIS A 67 -1.151 -4.298 -11.922 1.00 0.00 C ATOM 949 O HIS A 67 -1.134 -4.930 -10.866 1.00 0.00 O ATOM 950 CB HIS A 67 -3.555 -3.814 -12.616 1.00 0.00 C ATOM 951 CG HIS A 67 -4.219 -4.688 -11.579 1.00 0.00 C ATOM 952 ND1 HIS A 67 -5.176 -4.212 -10.699 1.00 0.00 N ATOM 953 CD2 HIS A 67 -4.056 -6.011 -11.291 1.00 0.00 C ATOM 954 CE1 HIS A 67 -5.563 -5.212 -9.921 1.00 0.00 C ATOM 955 NE2 HIS A 67 -4.867 -6.326 -10.289 1.00 0.00 N ATOM 0 H HIS A 67 -2.256 -2.225 -14.009 1.00 0.00 H new ATOM 0 HA HIS A 67 -2.403 -2.724 -11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.230 -2.998 -12.875 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.399 -4.398 -13.523 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -5.524 -3.254 -10.657 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.381 -6.688 -11.793 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -6.300 -5.155 -9.134 1.00 0.00 H new ATOM 963 N ALA A 68 -0.288 -4.469 -12.913 1.00 0.00 N ATOM 964 CA ALA A 68 0.777 -5.453 -12.816 1.00 0.00 C ATOM 965 C ALA A 68 2.039 -4.780 -12.275 1.00 0.00 C ATOM 966 O ALA A 68 2.920 -5.448 -11.736 1.00 0.00 O ATOM 967 CB ALA A 68 1.001 -6.098 -14.186 1.00 0.00 C ATOM 0 H ALA A 68 -0.305 -3.943 -13.787 1.00 0.00 H new ATOM 0 HA ALA A 68 0.504 -6.248 -12.122 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.800 -6.836 -14.114 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.083 -6.587 -14.512 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.280 -5.331 -14.908 1.00 0.00 H new ATOM 973 N GLU A 69 2.087 -3.466 -12.437 1.00 0.00 N ATOM 974 CA GLU A 69 3.227 -2.695 -11.971 1.00 0.00 C ATOM 975 C GLU A 69 3.242 -2.640 -10.442 1.00 0.00 C ATOM 976 O GLU A 69 4.201 -3.080 -9.811 1.00 0.00 O ATOM 977 CB GLU A 69 3.220 -1.288 -12.570 1.00 0.00 C ATOM 978 CG GLU A 69 3.550 -1.326 -14.064 1.00 0.00 C ATOM 979 CD GLU A 69 5.051 -1.141 -14.298 1.00 0.00 C ATOM 980 OE1 GLU A 69 5.611 -0.211 -13.680 1.00 0.00 O ATOM 981 OE2 GLU A 69 5.603 -1.934 -15.091 1.00 0.00 O ATOM 0 H GLU A 69 1.354 -2.915 -12.885 1.00 0.00 H new ATOM 0 HA GLU A 69 4.137 -3.192 -12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.242 -0.831 -12.422 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.946 -0.664 -12.049 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.227 -2.277 -14.488 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.998 -0.542 -14.582 1.00 0.00 H new ATOM 988 N ALA A 70 2.166 -2.097 -9.891 1.00 0.00 N ATOM 989 CA ALA A 70 2.043 -1.978 -8.448 1.00 0.00 C ATOM 990 C ALA A 70 2.163 -3.366 -7.815 1.00 0.00 C ATOM 991 O ALA A 70 2.780 -3.521 -6.762 1.00 0.00 O ATOM 992 CB ALA A 70 0.720 -1.292 -8.103 1.00 0.00 C ATOM 0 H ALA A 70 1.371 -1.735 -10.418 1.00 0.00 H new ATOM 0 HA ALA A 70 2.845 -1.360 -8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.628 -1.203 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.697 -0.299 -8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.109 -1.885 -8.490 1.00 0.00 H new ATOM 998 N GLN A 71 1.563 -4.340 -8.484 1.00 0.00 N ATOM 999 CA GLN A 71 1.594 -5.710 -8.000 1.00 0.00 C ATOM 1000 C GLN A 71 3.035 -6.220 -7.945 1.00 0.00 C ATOM 1001 O GLN A 71 3.486 -6.709 -6.910 1.00 0.00 O ATOM 1002 CB GLN A 71 0.723 -6.618 -8.869 1.00 0.00 C ATOM 1003 CG GLN A 71 -0.729 -6.612 -8.386 1.00 0.00 C ATOM 1004 CD GLN A 71 -0.838 -7.183 -6.970 1.00 0.00 C ATOM 1005 OE1 GLN A 71 0.121 -7.667 -6.393 1.00 0.00 O ATOM 1006 NE2 GLN A 71 -2.058 -7.099 -6.446 1.00 0.00 N ATOM 0 H GLN A 71 1.053 -4.208 -9.357 1.00 0.00 H new ATOM 0 HA GLN A 71 1.184 -5.728 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.766 -6.285 -9.906 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.114 -7.635 -8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.117 -5.594 -8.402 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.345 -7.199 -9.067 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.817 -6.681 -6.985 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.235 -7.452 -5.506 1.00 0.00 H new ATOM 1015 N SER A 72 3.719 -6.090 -9.073 1.00 0.00 N ATOM 1016 CA SER A 72 5.100 -6.532 -9.166 1.00 0.00 C ATOM 1017 C SER A 72 5.940 -5.857 -8.080 1.00 0.00 C ATOM 1018 O SER A 72 6.558 -6.533 -7.259 1.00 0.00 O ATOM 1019 CB SER A 72 5.681 -6.233 -10.549 1.00 0.00 C ATOM 1020 OG SER A 72 7.034 -6.666 -10.665 1.00 0.00 O ATOM 0 H SER A 72 3.342 -5.685 -9.930 1.00 0.00 H new ATOM 0 HA SER A 72 5.125 -7.611 -9.017 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.076 -6.726 -11.310 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.625 -5.162 -10.742 1.00 0.00 H new ATOM 0 HG SER A 72 7.368 -6.459 -11.563 1.00 0.00 H new ATOM 1026 N LYS A 73 5.936 -4.533 -8.111 1.00 0.00 N ATOM 1027 CA LYS A 73 6.690 -3.760 -7.139 1.00 0.00 C ATOM 1028 C LYS A 73 6.406 -4.296 -5.735 1.00 0.00 C ATOM 1029 O LYS A 73 7.326 -4.674 -5.012 1.00 0.00 O ATOM 1030 CB LYS A 73 6.397 -2.266 -7.298 1.00 0.00 C ATOM 1031 CG LYS A 73 7.540 -1.557 -8.026 1.00 0.00 C ATOM 1032 CD LYS A 73 7.124 -1.157 -9.443 1.00 0.00 C ATOM 1033 CE LYS A 73 7.887 0.084 -9.909 1.00 0.00 C ATOM 1034 NZ LYS A 73 8.795 -0.256 -11.027 1.00 0.00 N ATOM 0 H LYS A 73 5.423 -3.976 -8.794 1.00 0.00 H new ATOM 0 HA LYS A 73 7.760 -3.872 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.469 -2.131 -7.853 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.250 -1.814 -6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.837 -0.670 -7.467 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.410 -2.212 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.313 -1.983 -10.128 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.052 -0.960 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.183 0.854 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.461 0.498 -9.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.305 0.597 -11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.478 -0.975 -10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.240 -0.630 -11.823 1.00 0.00 H new ATOM 1048 N ILE A 74 5.126 -4.313 -5.390 1.00 0.00 N ATOM 1049 CA ILE A 74 4.708 -4.797 -4.086 1.00 0.00 C ATOM 1050 C ILE A 74 5.315 -6.180 -3.841 1.00 0.00 C ATOM 1051 O ILE A 74 5.780 -6.473 -2.741 1.00 0.00 O ATOM 1052 CB ILE A 74 3.184 -4.764 -3.965 1.00 0.00 C ATOM 1053 CG1 ILE A 74 2.694 -3.369 -3.572 1.00 0.00 C ATOM 1054 CG2 ILE A 74 2.687 -5.840 -2.997 1.00 0.00 C ATOM 1055 CD1 ILE A 74 1.336 -3.066 -4.206 1.00 0.00 C ATOM 0 H ILE A 74 4.365 -3.999 -5.992 1.00 0.00 H new ATOM 0 HA ILE A 74 5.081 -4.141 -3.299 1.00 0.00 H new ATOM 0 HB ILE A 74 2.760 -4.990 -4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.616 -3.299 -2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.422 -2.622 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.600 -5.795 -2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.987 -6.823 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.119 -5.670 -2.011 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.011 -2.068 -3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.423 -3.113 -5.292 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.605 -3.801 -3.869 1.00 0.00 H new ATOM 1067 N ARG A 75 5.291 -6.995 -4.886 1.00 0.00 N ATOM 1068 CA ARG A 75 5.833 -8.340 -4.799 1.00 0.00 C ATOM 1069 C ARG A 75 7.344 -8.289 -4.562 1.00 0.00 C ATOM 1070 O ARG A 75 7.884 -9.090 -3.801 1.00 0.00 O ATOM 1071 CB ARG A 75 5.551 -9.131 -6.077 1.00 0.00 C ATOM 1072 CG ARG A 75 5.057 -10.542 -5.751 1.00 0.00 C ATOM 1073 CD ARG A 75 6.110 -11.590 -6.119 1.00 0.00 C ATOM 1074 NE ARG A 75 5.726 -12.909 -5.567 1.00 0.00 N ATOM 1075 CZ ARG A 75 4.706 -13.647 -6.026 1.00 0.00 C ATOM 1076 NH1 ARG A 75 3.962 -13.200 -7.047 1.00 0.00 N ATOM 1077 NH2 ARG A 75 4.430 -14.832 -5.465 1.00 0.00 N ATOM 0 H ARG A 75 4.904 -6.749 -5.797 1.00 0.00 H new ATOM 0 HA ARG A 75 5.347 -8.840 -3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.803 -8.609 -6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.457 -9.189 -6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.824 -10.613 -4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.134 -10.743 -6.294 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.208 -11.655 -7.203 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.083 -11.292 -5.728 1.00 0.00 H new ATOM 0 HE ARG A 75 6.272 -13.279 -4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.172 -12.298 -7.475 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.186 -13.762 -7.396 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.996 -15.173 -4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.653 -15.393 -5.815 1.00 0.00 H new ATOM 1091 N GLN A 76 7.984 -7.340 -5.229 1.00 0.00 N ATOM 1092 CA GLN A 76 9.421 -7.174 -5.100 1.00 0.00 C ATOM 1093 C GLN A 76 9.740 -6.039 -4.124 1.00 0.00 C ATOM 1094 O GLN A 76 10.695 -5.291 -4.327 1.00 0.00 O ATOM 1095 CB GLN A 76 10.068 -6.922 -6.464 1.00 0.00 C ATOM 1096 CG GLN A 76 9.526 -7.892 -7.515 1.00 0.00 C ATOM 1097 CD GLN A 76 10.661 -8.684 -8.168 1.00 0.00 C ATOM 1098 OE1 GLN A 76 11.535 -9.223 -7.509 1.00 0.00 O ATOM 1099 NE2 GLN A 76 10.598 -8.725 -9.495 1.00 0.00 N ATOM 0 H GLN A 76 7.533 -6.678 -5.861 1.00 0.00 H new ATOM 0 HA GLN A 76 9.839 -8.098 -4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.876 -5.896 -6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.149 -7.034 -6.384 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.819 -8.579 -7.050 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.978 -7.338 -8.278 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.839 -8.252 -9.984 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.309 -9.230 -10.024 1.00 0.00 H new ATOM 1108 N SER A 77 8.922 -5.948 -3.086 1.00 0.00 N ATOM 1109 CA SER A 77 9.105 -4.917 -2.078 1.00 0.00 C ATOM 1110 C SER A 77 9.582 -5.546 -0.767 1.00 0.00 C ATOM 1111 O SER A 77 8.968 -6.486 -0.266 1.00 0.00 O ATOM 1112 CB SER A 77 7.810 -4.134 -1.850 1.00 0.00 C ATOM 1113 OG SER A 77 7.881 -2.817 -2.390 1.00 0.00 O ATOM 0 H SER A 77 8.131 -6.571 -2.921 1.00 0.00 H new ATOM 0 HA SER A 77 9.862 -4.219 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.978 -4.669 -2.307 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.604 -4.077 -0.781 1.00 0.00 H new ATOM 0 HG SER A 77 7.026 -2.589 -2.810 1.00 0.00 H new ATOM 1119 N ALA A 78 10.674 -5.001 -0.251 1.00 0.00 N ATOM 1120 CA ALA A 78 11.241 -5.497 0.992 1.00 0.00 C ATOM 1121 C ALA A 78 10.435 -4.947 2.171 1.00 0.00 C ATOM 1122 O ALA A 78 9.484 -4.191 1.978 1.00 0.00 O ATOM 1123 CB ALA A 78 12.720 -5.114 1.067 1.00 0.00 C ATOM 0 H ALA A 78 11.181 -4.222 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 78 11.184 -6.585 1.033 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.145 -5.486 1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.253 -5.554 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.817 -4.029 1.031 1.00 0.00 H new ATOM 1129 N SER A 79 10.846 -5.347 3.365 1.00 0.00 N ATOM 1130 CA SER A 79 10.174 -4.904 4.575 1.00 0.00 C ATOM 1131 C SER A 79 11.092 -3.975 5.373 1.00 0.00 C ATOM 1132 O SER A 79 12.295 -4.212 5.460 1.00 0.00 O ATOM 1133 CB SER A 79 9.745 -6.094 5.435 1.00 0.00 C ATOM 1134 OG SER A 79 10.863 -6.836 5.915 1.00 0.00 O ATOM 0 H SER A 79 11.636 -5.973 3.521 1.00 0.00 H new ATOM 0 HA SER A 79 9.276 -4.357 4.287 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.157 -5.737 6.280 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.099 -6.749 4.851 1.00 0.00 H new ATOM 0 HG SER A 79 10.548 -7.586 6.461 1.00 0.00 H new ATOM 1140 N PRO A 80 10.472 -2.911 5.950 1.00 0.00 N ATOM 1141 CA PRO A 80 9.042 -2.705 5.797 1.00 0.00 C ATOM 1142 C PRO A 80 8.710 -2.183 4.397 1.00 0.00 C ATOM 1143 O PRO A 80 9.584 -1.676 3.696 1.00 0.00 O ATOM 1144 CB PRO A 80 8.665 -1.728 6.899 1.00 0.00 C ATOM 1145 CG PRO A 80 9.964 -1.067 7.332 1.00 0.00 C ATOM 1146 CD PRO A 80 11.114 -1.880 6.760 1.00 0.00 C ATOM 0 HA PRO A 80 8.472 -3.629 5.890 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.952 -0.988 6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.192 -2.245 7.734 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.007 -0.039 6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.028 -1.027 8.419 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.777 -1.259 6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.721 -2.319 7.552 1.00 0.00 H new ATOM 1154 N LEU A 81 7.444 -2.326 4.032 1.00 0.00 N ATOM 1155 CA LEU A 81 6.986 -1.876 2.729 1.00 0.00 C ATOM 1156 C LEU A 81 6.173 -0.590 2.894 1.00 0.00 C ATOM 1157 O LEU A 81 5.000 -0.636 3.261 1.00 0.00 O ATOM 1158 CB LEU A 81 6.227 -2.995 2.012 1.00 0.00 C ATOM 1159 CG LEU A 81 5.205 -2.548 0.964 1.00 0.00 C ATOM 1160 CD1 LEU A 81 5.899 -2.110 -0.327 1.00 0.00 C ATOM 1161 CD2 LEU A 81 4.164 -3.641 0.713 1.00 0.00 C ATOM 0 H LEU A 81 6.722 -2.747 4.616 1.00 0.00 H new ATOM 0 HA LEU A 81 7.835 -1.637 2.089 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.954 -3.647 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.711 -3.595 2.761 1.00 0.00 H new ATOM 0 HG LEU A 81 4.673 -1.680 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.150 -1.797 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.569 -1.277 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.473 -2.943 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.450 -3.298 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.662 -4.542 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.638 -3.863 1.642 1.00 0.00 H new ATOM 1173 N ARG A 82 6.830 0.526 2.617 1.00 0.00 N ATOM 1174 CA ARG A 82 6.184 1.823 2.731 1.00 0.00 C ATOM 1175 C ARG A 82 5.153 2.002 1.615 1.00 0.00 C ATOM 1176 O ARG A 82 5.434 1.713 0.453 1.00 0.00 O ATOM 1177 CB ARG A 82 7.207 2.957 2.657 1.00 0.00 C ATOM 1178 CG ARG A 82 7.128 3.849 3.898 1.00 0.00 C ATOM 1179 CD ARG A 82 8.401 4.683 4.055 1.00 0.00 C ATOM 1180 NE ARG A 82 9.448 3.887 4.734 1.00 0.00 N ATOM 1181 CZ ARG A 82 10.689 4.330 4.978 1.00 0.00 C ATOM 1182 NH1 ARG A 82 11.046 5.565 4.600 1.00 0.00 N ATOM 1183 NH2 ARG A 82 11.573 3.538 5.600 1.00 0.00 N ATOM 0 H ARG A 82 7.803 0.559 2.314 1.00 0.00 H new ATOM 0 HA ARG A 82 5.687 1.861 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.210 2.541 2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.029 3.555 1.763 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.264 4.509 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.981 3.232 4.785 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.756 5.007 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.187 5.584 4.631 1.00 0.00 H new ATOM 0 HE ARG A 82 9.210 2.942 5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.373 6.168 4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.991 5.902 4.786 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.301 2.598 5.888 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.518 3.875 5.786 1.00 0.00 H new ATOM 1197 N LEU A 83 3.979 2.476 2.007 1.00 0.00 N ATOM 1198 CA LEU A 83 2.905 2.697 1.054 1.00 0.00 C ATOM 1199 C LEU A 83 2.203 4.017 1.380 1.00 0.00 C ATOM 1200 O LEU A 83 1.654 4.180 2.469 1.00 0.00 O ATOM 1201 CB LEU A 83 1.963 1.492 1.020 1.00 0.00 C ATOM 1202 CG LEU A 83 2.540 0.206 0.423 1.00 0.00 C ATOM 1203 CD1 LEU A 83 1.622 -0.986 0.699 1.00 0.00 C ATOM 1204 CD2 LEU A 83 2.826 0.376 -1.071 1.00 0.00 C ATOM 0 H LEU A 83 3.748 2.713 2.972 1.00 0.00 H new ATOM 0 HA LEU A 83 3.305 2.789 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.637 1.282 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.075 1.766 0.451 1.00 0.00 H new ATOM 0 HG LEU A 83 3.492 -0.001 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.055 -1.887 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.512 -1.119 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.644 -0.803 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.235 -0.552 -1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.901 0.619 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.546 1.182 -1.214 1.00 0.00 H new ATOM 1216 N GLN A 84 2.244 4.925 0.416 1.00 0.00 N ATOM 1217 CA GLN A 84 1.618 6.226 0.587 1.00 0.00 C ATOM 1218 C GLN A 84 0.173 6.189 0.088 1.00 0.00 C ATOM 1219 O GLN A 84 -0.072 6.008 -1.104 1.00 0.00 O ATOM 1220 CB GLN A 84 2.418 7.317 -0.128 1.00 0.00 C ATOM 1221 CG GLN A 84 2.027 8.706 0.381 1.00 0.00 C ATOM 1222 CD GLN A 84 2.171 9.755 -0.724 1.00 0.00 C ATOM 1223 OE1 GLN A 84 1.365 10.660 -0.865 1.00 0.00 O ATOM 1224 NE2 GLN A 84 3.240 9.584 -1.496 1.00 0.00 N ATOM 0 H GLN A 84 2.700 4.786 -0.486 1.00 0.00 H new ATOM 0 HA GLN A 84 1.608 6.466 1.650 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.484 7.154 0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 84 2.243 7.257 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.998 8.689 0.740 1.00 0.00 H new ATOM 0 HG3 GLN A 84 2.656 8.977 1.229 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.875 8.805 -1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.425 10.232 -2.261 1.00 0.00 H new ATOM 1233 N LEU A 85 -0.748 6.364 1.025 1.00 0.00 N ATOM 1234 CA LEU A 85 -2.163 6.353 0.695 1.00 0.00 C ATOM 1235 C LEU A 85 -2.676 7.793 0.624 1.00 0.00 C ATOM 1236 O LEU A 85 -2.269 8.641 1.416 1.00 0.00 O ATOM 1237 CB LEU A 85 -2.936 5.473 1.679 1.00 0.00 C ATOM 1238 CG LEU A 85 -2.236 4.185 2.120 1.00 0.00 C ATOM 1239 CD1 LEU A 85 -3.036 3.472 3.211 1.00 0.00 C ATOM 1240 CD2 LEU A 85 -1.959 3.274 0.922 1.00 0.00 C ATOM 0 H LEU A 85 -0.542 6.514 2.013 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.322 5.908 -0.287 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.159 6.064 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.891 5.207 1.225 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.271 4.451 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.517 2.560 3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.137 4.128 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.025 3.219 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.461 2.366 1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.900 3.012 0.439 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.318 3.794 0.210 1.00 0.00 H new ATOM 1252 N ASP A 86 -3.564 8.024 -0.332 1.00 0.00 N ATOM 1253 CA ASP A 86 -4.138 9.346 -0.517 1.00 0.00 C ATOM 1254 C ASP A 86 -5.479 9.422 0.215 1.00 0.00 C ATOM 1255 O ASP A 86 -6.491 8.933 -0.285 1.00 0.00 O ATOM 1256 CB ASP A 86 -4.390 9.635 -1.998 1.00 0.00 C ATOM 1257 CG ASP A 86 -3.939 11.018 -2.473 1.00 0.00 C ATOM 1258 OD1 ASP A 86 -2.772 11.363 -2.187 1.00 0.00 O ATOM 1259 OD2 ASP A 86 -4.771 11.698 -3.112 1.00 0.00 O ATOM 0 H ASP A 86 -3.900 7.318 -0.987 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.433 10.078 -0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.878 8.878 -2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.456 9.529 -2.197 1.00 0.00 H new ATOM 1264 N ARG A 87 -5.444 10.039 1.387 1.00 0.00 N ATOM 1265 CA ARG A 87 -6.644 10.185 2.192 1.00 0.00 C ATOM 1266 C ARG A 87 -6.926 11.665 2.461 1.00 0.00 C ATOM 1267 O ARG A 87 -6.236 12.297 3.259 1.00 0.00 O ATOM 1268 CB ARG A 87 -6.505 9.449 3.526 1.00 0.00 C ATOM 1269 CG ARG A 87 -7.727 9.690 4.415 1.00 0.00 C ATOM 1270 CD ARG A 87 -7.794 8.662 5.546 1.00 0.00 C ATOM 1271 NE ARG A 87 -9.156 8.086 5.626 1.00 0.00 N ATOM 1272 CZ ARG A 87 -10.164 8.636 6.316 1.00 0.00 C ATOM 1273 NH1 ARG A 87 -9.971 9.778 6.989 1.00 0.00 N ATOM 1274 NH2 ARG A 87 -11.366 8.044 6.332 1.00 0.00 N ATOM 0 H ARG A 87 -4.603 10.444 1.798 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.473 9.749 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.387 8.381 3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.605 9.787 4.040 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.683 10.695 4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.635 9.635 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.065 7.870 5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.533 9.134 6.493 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.338 7.217 5.125 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.056 10.229 6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.739 10.196 7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.513 7.175 5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -12.134 8.463 6.857 1.00 0.00 H new ATOM 1288 N SER A 88 -7.942 12.174 1.779 1.00 0.00 N ATOM 1289 CA SER A 88 -8.323 13.568 1.934 1.00 0.00 C ATOM 1290 C SER A 88 -9.845 13.706 1.849 1.00 0.00 C ATOM 1291 O SER A 88 -10.392 13.938 0.772 1.00 0.00 O ATOM 1292 CB SER A 88 -7.651 14.444 0.875 1.00 0.00 C ATOM 1293 OG SER A 88 -7.671 15.823 1.232 1.00 0.00 O ATOM 0 H SER A 88 -8.513 11.646 1.118 1.00 0.00 H new ATOM 0 HA SER A 88 -7.987 13.908 2.914 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.619 14.120 0.738 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.157 14.310 -0.081 1.00 0.00 H new ATOM 0 HG SER A 88 -7.231 16.349 0.531 1.00 0.00 H new