USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 732 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 86 THR OG1 : rot -103:sc= 0.428 USER MOD Set 1.2: A 91 GLN : amide:sc= -0.48 K(o=-0.053,f=-1.7) USER MOD Single : A 11 HIS : no HD1:sc= -2.77 K(o=-2.8,f=-3.5!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0511) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl -173:sc= 0 (180deg=-0.0584) USER MOD Single : A 31 CYS SG : rot -27:sc= 0.921 USER MOD Single : A 32 LYS NZ :NH3+ -155:sc= -0.433 (180deg=-0.921) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.11) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= -0.103 (180deg=-0.851) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.95! K(o=-1.9!,f=-3.2) USER MOD Single : A 57 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0119) USER MOD Single : A 58 MET CE :methyl 179:sc= -0.0295 (180deg=-0.0316) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.59) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -29:sc= 0.697 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 93:sc= -2.7 USER MOD Single : A 87 ASN : amide:sc= -2.23 K(o=-2.2,f=-14!) USER MOD Single : A 92 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.17) USER MOD Single : A 93 SER OG : rot 180:sc= -0.154 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.646 25.001 1.466 1.00 0.00 N ATOM 60 CA GLY A 7 2.643 23.562 1.282 1.00 0.00 C ATOM 61 C GLY A 7 4.042 22.984 1.202 1.00 0.00 C ATOM 62 O GLY A 7 5.025 23.723 1.150 1.00 0.00 O ATOM 0 HA2 GLY A 7 2.107 23.094 2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.099 23.317 0.370 1.00 0.00 H new ATOM 66 N PHE A 8 4.133 21.658 1.195 1.00 0.00 N ATOM 67 CA PHE A 8 5.423 20.981 1.124 1.00 0.00 C ATOM 68 C PHE A 8 5.377 19.826 0.127 1.00 0.00 C ATOM 69 O PHE A 8 4.430 19.040 0.115 1.00 0.00 O ATOM 70 CB PHE A 8 5.826 20.461 2.505 1.00 0.00 C ATOM 71 CG PHE A 8 5.518 21.420 3.620 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.421 22.410 3.970 1.00 0.00 C ATOM 73 CD2 PHE A 8 4.324 21.331 4.317 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.140 23.292 4.996 1.00 0.00 C ATOM 75 CE2 PHE A 8 4.036 22.211 5.343 1.00 0.00 C ATOM 76 CZ PHE A 8 4.945 23.193 5.682 1.00 0.00 C ATOM 0 H PHE A 8 3.329 21.031 1.238 1.00 0.00 H new ATOM 0 HA PHE A 8 6.166 21.702 0.784 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.311 19.519 2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.895 20.246 2.506 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.355 22.494 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.610 20.565 4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 8 6.854 24.058 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.102 22.131 5.879 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.722 23.883 6.482 1.00 0.00 H new ATOM 86 N ARG A 9 6.407 19.732 -0.708 1.00 0.00 N ATOM 87 CA ARG A 9 6.484 18.676 -1.709 1.00 0.00 C ATOM 88 C ARG A 9 6.174 17.316 -1.090 1.00 0.00 C ATOM 89 O ARG A 9 6.596 17.002 0.023 1.00 0.00 O ATOM 90 CB ARG A 9 7.873 18.652 -2.350 1.00 0.00 C ATOM 91 CG ARG A 9 7.899 18.001 -3.724 1.00 0.00 C ATOM 92 CD ARG A 9 9.257 18.158 -4.389 1.00 0.00 C ATOM 93 NE ARG A 9 9.636 19.560 -4.536 1.00 0.00 N ATOM 94 CZ ARG A 9 10.745 19.962 -5.148 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.579 19.071 -5.666 1.00 0.00 N ATOM 96 NH2 ARG A 9 11.021 21.256 -5.242 1.00 0.00 N ATOM 0 H ARG A 9 7.199 20.375 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 9 5.740 18.884 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.243 19.674 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.559 18.119 -1.692 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.659 16.942 -3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.130 18.448 -4.354 1.00 0.00 H new ATOM 0 HD2 ARG A 9 10.012 17.639 -3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.237 17.683 -5.370 1.00 0.00 H new ATOM 0 HE ARG A 9 9.015 20.270 -4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 9 11.370 18.075 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.430 19.381 -6.135 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.382 21.944 -4.844 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.873 21.563 -5.712 1.00 0.00 H new ATOM 110 N PRO A 10 5.419 16.488 -1.827 1.00 0.00 N ATOM 111 CA PRO A 10 5.036 15.148 -1.371 1.00 0.00 C ATOM 112 C PRO A 10 6.221 14.189 -1.330 1.00 0.00 C ATOM 113 O PRO A 10 6.709 13.745 -2.369 1.00 0.00 O ATOM 114 CB PRO A 10 4.017 14.695 -2.419 1.00 0.00 C ATOM 115 CG PRO A 10 4.363 15.468 -3.644 1.00 0.00 C ATOM 116 CD PRO A 10 4.881 16.795 -3.163 1.00 0.00 C ATOM 0 HA PRO A 10 4.645 15.160 -0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.083 13.622 -2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.997 14.903 -2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.116 14.946 -4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.490 15.598 -4.283 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.652 17.189 -3.825 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.089 17.542 -3.115 1.00 0.00 H new ATOM 124 N HIS A 11 6.678 13.873 -0.122 1.00 0.00 N ATOM 125 CA HIS A 11 7.806 12.964 0.054 1.00 0.00 C ATOM 126 C HIS A 11 7.493 11.908 1.109 1.00 0.00 C ATOM 127 O HIS A 11 6.993 12.223 2.189 1.00 0.00 O ATOM 128 CB HIS A 11 9.059 13.745 0.453 1.00 0.00 C ATOM 129 CG HIS A 11 10.043 12.935 1.240 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.375 11.636 0.922 1.00 0.00 N ATOM 131 CD2 HIS A 11 10.770 13.249 2.338 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.262 11.184 1.790 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.519 12.144 2.660 1.00 0.00 N ATOM 0 H HIS A 11 6.285 14.232 0.748 1.00 0.00 H new ATOM 0 HA HIS A 11 7.987 12.461 -0.896 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.546 14.119 -0.447 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.764 14.614 1.040 1.00 0.00 H new ATOM 0 HD2 HIS A 11 10.762 14.193 2.863 1.00 0.00 H new ATOM 0 HE1 HIS A 11 11.702 10.198 1.789 1.00 0.00 H new ATOM 0 HE2 HIS A 11 12.168 12.076 3.444 1.00 0.00 H new ATOM 141 N PHE A 12 7.789 10.653 0.789 1.00 0.00 N ATOM 142 CA PHE A 12 7.537 9.549 1.708 1.00 0.00 C ATOM 143 C PHE A 12 8.721 9.345 2.649 1.00 0.00 C ATOM 144 O PHE A 12 9.781 8.870 2.238 1.00 0.00 O ATOM 145 CB PHE A 12 7.262 8.261 0.929 1.00 0.00 C ATOM 146 CG PHE A 12 6.103 8.371 -0.020 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.805 8.178 0.425 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.312 8.667 -1.358 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.737 8.278 -0.446 1.00 0.00 C ATOM 150 CE2 PHE A 12 5.248 8.769 -2.233 1.00 0.00 C ATOM 151 CZ PHE A 12 3.959 8.573 -1.777 1.00 0.00 C ATOM 0 H PHE A 12 8.204 10.375 -0.100 1.00 0.00 H new ATOM 0 HA PHE A 12 6.659 9.798 2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.156 7.987 0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.068 7.453 1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.626 7.947 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.318 8.820 -1.720 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.730 8.126 -0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.424 9.002 -3.273 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.126 8.650 -2.460 1.00 0.00 H new ATOM 161 N LEU A 13 8.533 9.707 3.913 1.00 0.00 N ATOM 162 CA LEU A 13 9.585 9.564 4.914 1.00 0.00 C ATOM 163 C LEU A 13 9.935 8.096 5.131 1.00 0.00 C ATOM 164 O LEU A 13 11.109 7.728 5.175 1.00 0.00 O ATOM 165 CB LEU A 13 9.146 10.196 6.237 1.00 0.00 C ATOM 166 CG LEU A 13 9.141 11.725 6.281 1.00 0.00 C ATOM 167 CD1 LEU A 13 7.968 12.278 5.487 1.00 0.00 C ATOM 168 CD2 LEU A 13 9.093 12.216 7.721 1.00 0.00 C ATOM 0 H LEU A 13 7.663 10.102 4.269 1.00 0.00 H new ATOM 0 HA LEU A 13 10.473 10.080 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.142 9.842 6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.803 9.832 7.027 1.00 0.00 H new ATOM 0 HG LEU A 13 10.063 12.086 5.825 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.981 13.367 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.046 11.955 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.035 11.909 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.090 13.306 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.188 11.845 8.202 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.967 11.849 8.260 1.00 0.00 H new ATOM 180 N GLN A 14 8.909 7.261 5.263 1.00 0.00 N ATOM 181 CA GLN A 14 9.109 5.832 5.473 1.00 0.00 C ATOM 182 C GLN A 14 8.325 5.017 4.451 1.00 0.00 C ATOM 183 O GLN A 14 7.097 5.086 4.397 1.00 0.00 O ATOM 184 CB GLN A 14 8.685 5.440 6.890 1.00 0.00 C ATOM 185 CG GLN A 14 9.758 5.692 7.937 1.00 0.00 C ATOM 186 CD GLN A 14 9.182 5.889 9.326 1.00 0.00 C ATOM 187 OE1 GLN A 14 8.492 6.875 9.589 1.00 0.00 O ATOM 188 NE2 GLN A 14 9.463 4.951 10.222 1.00 0.00 N ATOM 0 H GLN A 14 7.931 7.549 5.228 1.00 0.00 H new ATOM 0 HA GLN A 14 10.170 5.616 5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.788 5.998 7.159 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.419 4.383 6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.451 4.851 7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 14 10.333 6.575 7.658 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.039 4.151 9.959 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.103 5.030 11.173 1.00 0.00 H new ATOM 197 N ALA A 15 9.043 4.245 3.641 1.00 0.00 N ATOM 198 CA ALA A 15 8.414 3.415 2.621 1.00 0.00 C ATOM 199 C ALA A 15 8.850 1.960 2.752 1.00 0.00 C ATOM 200 O ALA A 15 9.993 1.657 3.095 1.00 0.00 O ATOM 201 CB ALA A 15 8.744 3.944 1.233 1.00 0.00 C ATOM 0 H ALA A 15 10.060 4.177 3.672 1.00 0.00 H new ATOM 0 HA ALA A 15 7.335 3.458 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.268 3.315 0.481 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.377 4.966 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.824 3.931 1.086 1.00 0.00 H new ATOM 207 N PRO A 16 7.919 1.035 2.473 1.00 0.00 N ATOM 208 CA PRO A 16 8.185 -0.405 2.553 1.00 0.00 C ATOM 209 C PRO A 16 9.129 -0.882 1.455 1.00 0.00 C ATOM 210 O PRO A 16 9.585 -0.093 0.629 1.00 0.00 O ATOM 211 CB PRO A 16 6.800 -1.031 2.377 1.00 0.00 C ATOM 212 CG PRO A 16 6.019 -0.017 1.614 1.00 0.00 C ATOM 213 CD PRO A 16 6.536 1.323 2.058 1.00 0.00 C ATOM 0 HA PRO A 16 8.676 -0.678 3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.858 -1.975 1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.337 -1.244 3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.151 -0.150 0.540 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.952 -0.111 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.503 2.054 1.250 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.946 1.729 2.880 1.00 0.00 H new ATOM 221 N GLY A 17 9.418 -2.180 1.452 1.00 0.00 N ATOM 222 CA GLY A 17 10.306 -2.740 0.450 1.00 0.00 C ATOM 223 C GLY A 17 9.885 -4.129 0.013 1.00 0.00 C ATOM 224 O GLY A 17 8.706 -4.376 -0.243 1.00 0.00 O ATOM 0 H GLY A 17 9.053 -2.853 2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.331 -2.081 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.320 -2.780 0.849 1.00 0.00 H new ATOM 228 N ASP A 18 10.850 -5.038 -0.074 1.00 0.00 N ATOM 229 CA ASP A 18 10.574 -6.410 -0.483 1.00 0.00 C ATOM 230 C ASP A 18 10.049 -7.232 0.690 1.00 0.00 C ATOM 231 O ASP A 18 10.697 -7.330 1.733 1.00 0.00 O ATOM 232 CB ASP A 18 11.836 -7.059 -1.052 1.00 0.00 C ATOM 233 CG ASP A 18 12.966 -7.110 -0.043 1.00 0.00 C ATOM 234 OD1 ASP A 18 13.024 -8.085 0.734 1.00 0.00 O ATOM 235 OD2 ASP A 18 13.793 -6.173 -0.029 1.00 0.00 O ATOM 0 H ASP A 18 11.831 -4.849 0.133 1.00 0.00 H new ATOM 0 HA ASP A 18 9.807 -6.384 -1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.603 -8.071 -1.383 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.162 -6.503 -1.931 1.00 0.00 H new ATOM 240 N LEU A 19 8.871 -7.820 0.513 1.00 0.00 N ATOM 241 CA LEU A 19 8.257 -8.633 1.557 1.00 0.00 C ATOM 242 C LEU A 19 7.783 -9.970 0.998 1.00 0.00 C ATOM 243 O LEU A 19 7.482 -10.088 -0.190 1.00 0.00 O ATOM 244 CB LEU A 19 7.081 -7.885 2.189 1.00 0.00 C ATOM 245 CG LEU A 19 7.437 -6.866 3.271 1.00 0.00 C ATOM 246 CD1 LEU A 19 7.946 -5.577 2.644 1.00 0.00 C ATOM 247 CD2 LEU A 19 6.233 -6.590 4.160 1.00 0.00 C ATOM 0 H LEU A 19 8.322 -7.749 -0.344 1.00 0.00 H new ATOM 0 HA LEU A 19 9.009 -8.826 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.537 -7.369 1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.399 -8.618 2.619 1.00 0.00 H new ATOM 0 HG LEU A 19 8.232 -7.283 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.194 -4.864 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.836 -5.788 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.173 -5.155 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.505 -5.862 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.417 -6.194 3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.913 -7.516 4.638 1.00 0.00 H new ATOM 259 N THR A 20 7.716 -10.978 1.863 1.00 0.00 N ATOM 260 CA THR A 20 7.277 -12.307 1.457 1.00 0.00 C ATOM 261 C THR A 20 6.164 -12.819 2.362 1.00 0.00 C ATOM 262 O THR A 20 6.384 -13.089 3.543 1.00 0.00 O ATOM 263 CB THR A 20 8.443 -13.313 1.476 1.00 0.00 C ATOM 264 OG1 THR A 20 9.665 -12.655 1.124 1.00 0.00 O ATOM 265 CG2 THR A 20 8.184 -14.460 0.511 1.00 0.00 C ATOM 0 H THR A 20 7.961 -10.898 2.850 1.00 0.00 H new ATOM 0 HA THR A 20 6.900 -12.218 0.438 1.00 0.00 H new ATOM 0 HB THR A 20 8.526 -13.718 2.484 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.401 -13.302 1.140 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.021 -15.158 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.269 -14.978 0.799 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.076 -14.067 -0.500 1.00 0.00 H new ATOM 273 N VAL A 21 4.965 -12.952 1.802 1.00 0.00 N ATOM 274 CA VAL A 21 3.817 -13.434 2.559 1.00 0.00 C ATOM 275 C VAL A 21 3.136 -14.597 1.845 1.00 0.00 C ATOM 276 O VAL A 21 2.857 -14.524 0.648 1.00 0.00 O ATOM 277 CB VAL A 21 2.786 -12.314 2.789 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.558 -12.856 3.506 1.00 0.00 C ATOM 279 CG2 VAL A 21 3.410 -11.170 3.574 1.00 0.00 C ATOM 0 H VAL A 21 4.764 -12.732 0.826 1.00 0.00 H new ATOM 0 HA VAL A 21 4.195 -13.774 3.523 1.00 0.00 H new ATOM 0 HB VAL A 21 2.470 -11.930 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.841 -12.050 3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.100 -13.639 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.853 -13.268 4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.668 -10.387 3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.755 -11.538 4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.255 -10.765 3.017 1.00 0.00 H new ATOM 289 N GLN A 22 2.872 -15.667 2.587 1.00 0.00 N ATOM 290 CA GLN A 22 2.224 -16.846 2.023 1.00 0.00 C ATOM 291 C GLN A 22 0.785 -16.537 1.624 1.00 0.00 C ATOM 292 O GLN A 22 0.166 -15.619 2.161 1.00 0.00 O ATOM 293 CB GLN A 22 2.251 -17.998 3.029 1.00 0.00 C ATOM 294 CG GLN A 22 1.910 -19.347 2.417 1.00 0.00 C ATOM 295 CD GLN A 22 1.707 -20.427 3.461 1.00 0.00 C ATOM 296 OE1 GLN A 22 0.904 -20.273 4.382 1.00 0.00 O ATOM 297 NE2 GLN A 22 2.434 -21.530 3.323 1.00 0.00 N ATOM 0 H GLN A 22 3.096 -15.742 3.579 1.00 0.00 H new ATOM 0 HA GLN A 22 2.774 -17.140 1.129 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.242 -18.053 3.480 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.546 -17.784 3.833 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.004 -19.251 1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.710 -19.647 1.740 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.088 -21.616 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.339 -22.291 3.995 1.00 0.00 H new ATOM 306 N GLU A 23 0.260 -17.310 0.679 1.00 0.00 N ATOM 307 CA GLU A 23 -1.107 -17.117 0.207 1.00 0.00 C ATOM 308 C GLU A 23 -2.112 -17.431 1.311 1.00 0.00 C ATOM 309 O GLU A 23 -2.000 -18.445 1.998 1.00 0.00 O ATOM 310 CB GLU A 23 -1.379 -18.001 -1.012 1.00 0.00 C ATOM 311 CG GLU A 23 -2.749 -17.779 -1.630 1.00 0.00 C ATOM 312 CD GLU A 23 -3.813 -18.676 -1.027 1.00 0.00 C ATOM 313 OE1 GLU A 23 -3.593 -19.904 -0.976 1.00 0.00 O ATOM 314 OE2 GLU A 23 -4.864 -18.150 -0.607 1.00 0.00 O ATOM 0 H GLU A 23 0.759 -18.075 0.225 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.222 -16.071 -0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.615 -17.812 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.286 -19.047 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.039 -16.737 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.693 -17.959 -2.704 1.00 0.00 H new ATOM 321 N GLY A 24 -3.096 -16.552 1.476 1.00 0.00 N ATOM 322 CA GLY A 24 -4.107 -16.752 2.497 1.00 0.00 C ATOM 323 C GLY A 24 -3.672 -16.231 3.853 1.00 0.00 C ATOM 324 O GLY A 24 -4.270 -16.565 4.876 1.00 0.00 O ATOM 0 H GLY A 24 -3.211 -15.704 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.027 -16.250 2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.335 -17.815 2.575 1.00 0.00 H new ATOM 328 N LYS A 25 -2.626 -15.412 3.863 1.00 0.00 N ATOM 329 CA LYS A 25 -2.110 -14.844 5.103 1.00 0.00 C ATOM 330 C LYS A 25 -2.441 -13.358 5.200 1.00 0.00 C ATOM 331 O LYS A 25 -2.934 -12.758 4.244 1.00 0.00 O ATOM 332 CB LYS A 25 -0.595 -15.047 5.189 1.00 0.00 C ATOM 333 CG LYS A 25 -0.190 -16.477 5.500 1.00 0.00 C ATOM 334 CD LYS A 25 -0.425 -16.818 6.962 1.00 0.00 C ATOM 335 CE LYS A 25 -0.631 -18.312 7.161 1.00 0.00 C ATOM 336 NZ LYS A 25 -1.981 -18.750 6.710 1.00 0.00 N ATOM 0 H LYS A 25 -2.118 -15.126 3.026 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.588 -15.360 5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.142 -14.747 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.192 -14.388 5.958 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.757 -17.162 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.863 -16.619 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.426 -16.485 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.299 -16.278 7.327 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.132 -18.861 6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.502 -18.559 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.154 -19.725 7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.703 -18.120 7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.030 -18.712 5.672 1.00 0.00 H new ATOM 350 N LEU A 26 -2.165 -12.770 6.358 1.00 0.00 N ATOM 351 CA LEU A 26 -2.431 -11.353 6.580 1.00 0.00 C ATOM 352 C LEU A 26 -1.281 -10.495 6.063 1.00 0.00 C ATOM 353 O LEU A 26 -0.119 -10.732 6.397 1.00 0.00 O ATOM 354 CB LEU A 26 -2.656 -11.082 8.068 1.00 0.00 C ATOM 355 CG LEU A 26 -2.962 -9.633 8.449 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.722 -8.767 8.289 1.00 0.00 C ATOM 357 CD2 LEU A 26 -4.107 -9.091 7.605 1.00 0.00 C ATOM 0 H LEU A 26 -1.757 -13.253 7.159 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.333 -11.088 6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.480 -11.708 8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.767 -11.400 8.613 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.265 -9.608 9.496 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.958 -7.739 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.930 -9.143 8.936 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.388 -8.797 7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.312 -8.059 7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.832 -9.129 6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.999 -9.696 7.770 1.00 0.00 H new ATOM 369 N CYS A 27 -1.612 -9.498 5.251 1.00 0.00 N ATOM 370 CA CYS A 27 -0.606 -8.603 4.689 1.00 0.00 C ATOM 371 C CYS A 27 -0.858 -7.162 5.122 1.00 0.00 C ATOM 372 O CYS A 27 -1.886 -6.574 4.787 1.00 0.00 O ATOM 373 CB CYS A 27 -0.604 -8.697 3.163 1.00 0.00 C ATOM 374 SG CYS A 27 0.153 -7.279 2.336 1.00 0.00 S ATOM 0 H CYS A 27 -2.569 -9.288 4.967 1.00 0.00 H new ATOM 0 HA CYS A 27 0.369 -8.911 5.065 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.074 -9.602 2.866 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.632 -8.801 2.815 1.00 0.00 H new ATOM 0 HG CYS A 27 0.108 -7.453 1.048 1.00 0.00 H new ATOM 380 N ARG A 28 0.087 -6.600 5.869 1.00 0.00 N ATOM 381 CA ARG A 28 -0.034 -5.229 6.349 1.00 0.00 C ATOM 382 C ARG A 28 1.040 -4.339 5.731 1.00 0.00 C ATOM 383 O ARG A 28 2.180 -4.765 5.543 1.00 0.00 O ATOM 384 CB ARG A 28 0.072 -5.190 7.875 1.00 0.00 C ATOM 385 CG ARG A 28 -0.001 -3.787 8.455 1.00 0.00 C ATOM 386 CD ARG A 28 -0.568 -3.796 9.866 1.00 0.00 C ATOM 387 NE ARG A 28 -1.146 -2.506 10.232 1.00 0.00 N ATOM 388 CZ ARG A 28 -0.421 -1.442 10.560 1.00 0.00 C ATOM 389 NH1 ARG A 28 0.903 -1.515 10.566 1.00 0.00 N ATOM 390 NH2 ARG A 28 -1.021 -0.303 10.881 1.00 0.00 N ATOM 0 H ARG A 28 0.944 -7.073 6.155 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.011 -4.850 6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.730 -5.793 8.302 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.013 -5.650 8.177 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.995 -3.344 8.465 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.623 -3.160 7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.331 -4.571 9.945 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.222 -4.053 10.572 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.162 -2.417 10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.367 -2.389 10.318 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.458 -0.697 10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.039 -0.244 10.876 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.464 0.514 11.133 1.00 0.00 H new ATOM 404 N MET A 29 0.668 -3.103 5.417 1.00 0.00 N ATOM 405 CA MET A 29 1.600 -2.153 4.820 1.00 0.00 C ATOM 406 C MET A 29 1.425 -0.765 5.428 1.00 0.00 C ATOM 407 O MET A 29 0.303 -0.289 5.598 1.00 0.00 O ATOM 408 CB MET A 29 1.397 -2.089 3.306 1.00 0.00 C ATOM 409 CG MET A 29 1.915 -3.315 2.571 1.00 0.00 C ATOM 410 SD MET A 29 2.446 -2.943 0.888 1.00 0.00 S ATOM 411 CE MET A 29 1.489 -4.138 -0.041 1.00 0.00 C ATOM 0 H MET A 29 -0.272 -2.735 5.566 1.00 0.00 H new ATOM 0 HA MET A 29 2.613 -2.496 5.028 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.334 -1.971 3.095 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.899 -1.203 2.917 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.751 -3.740 3.126 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.133 -4.074 2.542 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.798 -4.119 -1.086 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.655 -5.134 0.368 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.430 -3.889 0.028 1.00 0.00 H new ATOM 421 N ASP A 30 2.541 -0.121 5.753 1.00 0.00 N ATOM 422 CA ASP A 30 2.510 1.213 6.341 1.00 0.00 C ATOM 423 C ASP A 30 3.339 2.190 5.514 1.00 0.00 C ATOM 424 O ASP A 30 4.450 1.872 5.087 1.00 0.00 O ATOM 425 CB ASP A 30 3.032 1.172 7.778 1.00 0.00 C ATOM 426 CG ASP A 30 2.266 0.191 8.644 1.00 0.00 C ATOM 427 OD1 ASP A 30 1.068 0.434 8.901 1.00 0.00 O ATOM 428 OD2 ASP A 30 2.865 -0.821 9.065 1.00 0.00 O ATOM 0 H ASP A 30 3.478 -0.501 5.619 1.00 0.00 H new ATOM 0 HA ASP A 30 1.476 1.557 6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.087 0.899 7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.964 2.168 8.215 1.00 0.00 H new ATOM 433 N CYS A 31 2.792 3.380 5.291 1.00 0.00 N ATOM 434 CA CYS A 31 3.480 4.404 4.512 1.00 0.00 C ATOM 435 C CYS A 31 3.035 5.800 4.936 1.00 0.00 C ATOM 436 O CYS A 31 1.841 6.097 4.976 1.00 0.00 O ATOM 437 CB CYS A 31 3.217 4.203 3.019 1.00 0.00 C ATOM 438 SG CYS A 31 1.486 4.416 2.540 1.00 0.00 S ATOM 0 H CYS A 31 1.875 3.660 5.638 1.00 0.00 H new ATOM 0 HA CYS A 31 4.550 4.310 4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.828 4.908 2.455 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.541 3.202 2.735 1.00 0.00 H new ATOM 0 HG CYS A 31 0.719 4.146 3.554 1.00 0.00 H new ATOM 444 N LYS A 32 4.003 6.653 5.254 1.00 0.00 N ATOM 445 CA LYS A 32 3.712 8.018 5.675 1.00 0.00 C ATOM 446 C LYS A 32 4.284 9.027 4.684 1.00 0.00 C ATOM 447 O LYS A 32 5.459 8.960 4.323 1.00 0.00 O ATOM 448 CB LYS A 32 4.286 8.276 7.070 1.00 0.00 C ATOM 449 CG LYS A 32 4.166 9.722 7.520 1.00 0.00 C ATOM 450 CD LYS A 32 4.178 9.838 9.035 1.00 0.00 C ATOM 451 CE LYS A 32 5.561 9.560 9.604 1.00 0.00 C ATOM 452 NZ LYS A 32 6.410 10.784 9.621 1.00 0.00 N ATOM 0 H LYS A 32 4.996 6.423 5.228 1.00 0.00 H new ATOM 0 HA LYS A 32 2.629 8.139 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.773 7.637 7.789 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.337 7.987 7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.989 10.303 7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.243 10.150 7.129 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.857 10.838 9.327 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.460 9.136 9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.465 9.170 10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.049 8.787 9.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.413 10.511 9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.192 11.369 8.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.218 11.328 10.487 1.00 0.00 H new ATOM 466 N VAL A 33 3.446 9.963 4.250 1.00 0.00 N ATOM 467 CA VAL A 33 3.869 10.988 3.302 1.00 0.00 C ATOM 468 C VAL A 33 3.702 12.383 3.892 1.00 0.00 C ATOM 469 O VAL A 33 2.647 12.720 4.429 1.00 0.00 O ATOM 470 CB VAL A 33 3.073 10.899 1.987 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.597 11.173 2.237 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.636 11.867 0.958 1.00 0.00 C ATOM 0 H VAL A 33 2.470 10.033 4.539 1.00 0.00 H new ATOM 0 HA VAL A 33 4.923 10.810 3.091 1.00 0.00 H new ATOM 0 HB VAL A 33 3.169 9.888 1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.050 11.106 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.204 10.437 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.478 12.173 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.062 11.791 0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.572 12.885 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.679 11.620 0.758 1.00 0.00 H new ATOM 482 N SER A 34 4.751 13.193 3.788 1.00 0.00 N ATOM 483 CA SER A 34 4.722 14.553 4.314 1.00 0.00 C ATOM 484 C SER A 34 4.318 15.547 3.229 1.00 0.00 C ATOM 485 O SER A 34 4.810 15.488 2.103 1.00 0.00 O ATOM 486 CB SER A 34 6.091 14.931 4.883 1.00 0.00 C ATOM 487 OG SER A 34 6.207 16.334 5.044 1.00 0.00 O ATOM 0 H SER A 34 5.631 12.931 3.344 1.00 0.00 H new ATOM 0 HA SER A 34 3.981 14.592 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.237 14.438 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.876 14.572 4.218 1.00 0.00 H new ATOM 0 HG SER A 34 7.090 16.549 5.410 1.00 0.00 H new ATOM 493 N GLY A 35 3.417 16.460 3.578 1.00 0.00 N ATOM 494 CA GLY A 35 2.960 17.454 2.624 1.00 0.00 C ATOM 495 C GLY A 35 1.749 18.219 3.120 1.00 0.00 C ATOM 496 O GLY A 35 1.115 17.826 4.099 1.00 0.00 O ATOM 0 H GLY A 35 2.995 16.529 4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.769 18.155 2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.715 16.964 1.682 1.00 0.00 H new ATOM 500 N LEU A 36 1.428 19.317 2.443 1.00 0.00 N ATOM 501 CA LEU A 36 0.285 20.141 2.821 1.00 0.00 C ATOM 502 C LEU A 36 -0.228 20.940 1.627 1.00 0.00 C ATOM 503 O LEU A 36 0.524 21.636 0.945 1.00 0.00 O ATOM 504 CB LEU A 36 0.670 21.090 3.957 1.00 0.00 C ATOM 505 CG LEU A 36 -0.488 21.793 4.666 1.00 0.00 C ATOM 506 CD1 LEU A 36 -1.307 20.794 5.469 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.032 22.905 5.565 1.00 0.00 C ATOM 0 H LEU A 36 1.943 19.657 1.631 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.512 19.480 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.235 20.526 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.340 21.851 3.557 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.135 22.238 3.910 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.127 21.312 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.711 20.034 4.800 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.671 20.319 6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.806 23.394 6.061 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.702 22.484 6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.574 23.635 4.964 1.00 0.00 H new ATOM 519 N PRO A 37 -1.540 20.841 1.369 1.00 0.00 N ATOM 520 CA PRO A 37 -2.445 20.015 2.173 1.00 0.00 C ATOM 521 C PRO A 37 -2.195 18.523 1.980 1.00 0.00 C ATOM 522 O PRO A 37 -1.348 18.123 1.180 1.00 0.00 O ATOM 523 CB PRO A 37 -3.833 20.396 1.650 1.00 0.00 C ATOM 524 CG PRO A 37 -3.595 20.872 0.259 1.00 0.00 C ATOM 525 CD PRO A 37 -2.241 21.527 0.270 1.00 0.00 C ATOM 0 HA PRO A 37 -2.314 20.189 3.241 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.510 19.542 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.287 21.175 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.621 20.042 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.367 21.577 -0.049 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.724 21.396 -0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.315 22.600 0.448 1.00 0.00 H new ATOM 533 N THR A 38 -2.936 17.703 2.718 1.00 0.00 N ATOM 534 CA THR A 38 -2.794 16.255 2.628 1.00 0.00 C ATOM 535 C THR A 38 -2.803 15.791 1.177 1.00 0.00 C ATOM 536 O THR A 38 -3.765 16.003 0.438 1.00 0.00 O ATOM 537 CB THR A 38 -3.917 15.532 3.394 1.00 0.00 C ATOM 538 OG1 THR A 38 -3.913 15.936 4.768 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.749 14.022 3.304 1.00 0.00 C ATOM 0 H THR A 38 -3.641 18.017 3.385 1.00 0.00 H new ATOM 0 HA THR A 38 -1.835 16.003 3.081 1.00 0.00 H new ATOM 0 HB THR A 38 -4.869 15.804 2.939 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.631 15.473 5.247 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.554 13.533 3.853 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.783 13.714 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.790 13.736 3.736 1.00 0.00 H new ATOM 547 N PRO A 39 -1.708 15.140 0.755 1.00 0.00 N ATOM 548 CA PRO A 39 -1.567 14.631 -0.612 1.00 0.00 C ATOM 549 C PRO A 39 -2.493 13.452 -0.890 1.00 0.00 C ATOM 550 O PRO A 39 -2.600 12.530 -0.080 1.00 0.00 O ATOM 551 CB PRO A 39 -0.103 14.187 -0.676 1.00 0.00 C ATOM 552 CG PRO A 39 0.264 13.890 0.737 1.00 0.00 C ATOM 553 CD PRO A 39 -0.524 14.852 1.582 1.00 0.00 C ATOM 0 HA PRO A 39 -1.832 15.382 -1.356 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.017 13.308 -1.309 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.530 14.970 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.024 12.858 0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.335 14.017 0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.800 14.412 2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.045 15.756 1.798 1.00 0.00 H new ATOM 561 N ASP A 40 -3.160 13.487 -2.038 1.00 0.00 N ATOM 562 CA ASP A 40 -4.076 12.421 -2.423 1.00 0.00 C ATOM 563 C ASP A 40 -3.403 11.446 -3.385 1.00 0.00 C ATOM 564 O ASP A 40 -3.285 11.719 -4.580 1.00 0.00 O ATOM 565 CB ASP A 40 -5.333 13.007 -3.069 1.00 0.00 C ATOM 566 CG ASP A 40 -5.821 14.254 -2.358 1.00 0.00 C ATOM 567 OD1 ASP A 40 -6.061 14.183 -1.134 1.00 0.00 O ATOM 568 OD2 ASP A 40 -5.964 15.299 -3.025 1.00 0.00 O ATOM 0 H ASP A 40 -3.083 14.243 -2.719 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.359 11.877 -1.522 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.125 13.245 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.124 12.257 -3.065 1.00 0.00 H new ATOM 573 N LEU A 41 -2.962 10.311 -2.855 1.00 0.00 N ATOM 574 CA LEU A 41 -2.299 9.295 -3.666 1.00 0.00 C ATOM 575 C LEU A 41 -3.277 8.197 -4.071 1.00 0.00 C ATOM 576 O LEU A 41 -4.329 8.030 -3.453 1.00 0.00 O ATOM 577 CB LEU A 41 -1.123 8.689 -2.898 1.00 0.00 C ATOM 578 CG LEU A 41 -1.447 8.115 -1.519 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.474 7.002 -1.162 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.415 9.211 -0.464 1.00 0.00 C ATOM 0 H LEU A 41 -3.051 10.071 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.926 9.775 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.688 7.896 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.358 9.456 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.453 7.696 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.720 6.606 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.545 6.205 -1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.542 7.397 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.648 8.784 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.422 9.660 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.152 9.975 -0.711 1.00 0.00 H new ATOM 592 N SER A 42 -2.921 7.449 -5.110 1.00 0.00 N ATOM 593 CA SER A 42 -3.768 6.367 -5.598 1.00 0.00 C ATOM 594 C SER A 42 -2.954 5.095 -5.815 1.00 0.00 C ATOM 595 O SER A 42 -1.918 5.114 -6.480 1.00 0.00 O ATOM 596 CB SER A 42 -4.453 6.776 -6.904 1.00 0.00 C ATOM 597 OG SER A 42 -5.504 7.696 -6.662 1.00 0.00 O ATOM 0 H SER A 42 -2.052 7.572 -5.630 1.00 0.00 H new ATOM 0 HA SER A 42 -4.529 6.167 -4.844 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.722 7.223 -7.577 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.848 5.891 -7.404 1.00 0.00 H new ATOM 0 HG SER A 42 -5.925 7.943 -7.512 1.00 0.00 H new ATOM 603 N TRP A 43 -3.430 3.992 -5.249 1.00 0.00 N ATOM 604 CA TRP A 43 -2.747 2.710 -5.380 1.00 0.00 C ATOM 605 C TRP A 43 -2.940 2.130 -6.777 1.00 0.00 C ATOM 606 O TRP A 43 -4.013 2.254 -7.367 1.00 0.00 O ATOM 607 CB TRP A 43 -3.263 1.724 -4.330 1.00 0.00 C ATOM 608 CG TRP A 43 -3.092 2.212 -2.923 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.953 3.004 -2.219 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.990 1.940 -2.050 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.453 3.241 -0.962 1.00 0.00 N ATOM 612 CE2 TRP A 43 -2.250 2.599 -0.833 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.809 1.203 -2.178 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -1.373 2.542 0.247 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.061 1.148 -1.106 1.00 0.00 C ATOM 616 CH2 TRP A 43 -0.224 1.813 0.094 1.00 0.00 C ATOM 0 H TRP A 43 -4.286 3.959 -4.695 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.682 2.877 -5.220 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.320 1.529 -4.513 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.739 0.775 -4.444 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.890 3.388 -2.595 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.904 3.804 -0.241 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.581 0.686 -3.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.591 3.054 1.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.977 0.582 -1.195 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.476 1.749 0.914 1.00 0.00 H new ATOM 627 N GLN A 44 -1.894 1.498 -7.300 1.00 0.00 N ATOM 628 CA GLN A 44 -1.950 0.901 -8.629 1.00 0.00 C ATOM 629 C GLN A 44 -1.119 -0.377 -8.686 1.00 0.00 C ATOM 630 O GLN A 44 0.071 -0.371 -8.370 1.00 0.00 O ATOM 631 CB GLN A 44 -1.451 1.894 -9.680 1.00 0.00 C ATOM 632 CG GLN A 44 -2.314 3.141 -9.796 1.00 0.00 C ATOM 633 CD GLN A 44 -2.241 3.775 -11.171 1.00 0.00 C ATOM 634 OE1 GLN A 44 -2.516 3.127 -12.181 1.00 0.00 O ATOM 635 NE2 GLN A 44 -1.870 5.049 -11.217 1.00 0.00 N ATOM 0 H GLN A 44 -0.999 1.386 -6.824 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.989 0.649 -8.843 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.431 2.189 -9.434 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.413 1.397 -10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.349 2.884 -9.573 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.998 3.868 -9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.651 5.548 -10.355 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.804 5.529 -12.115 1.00 0.00 H new ATOM 644 N LEU A 45 -1.754 -1.472 -9.091 1.00 0.00 N ATOM 645 CA LEU A 45 -1.074 -2.759 -9.189 1.00 0.00 C ATOM 646 C LEU A 45 -1.041 -3.248 -10.634 1.00 0.00 C ATOM 647 O LEU A 45 -2.078 -3.350 -11.289 1.00 0.00 O ATOM 648 CB LEU A 45 -1.769 -3.794 -8.304 1.00 0.00 C ATOM 649 CG LEU A 45 -1.065 -5.145 -8.172 1.00 0.00 C ATOM 650 CD1 LEU A 45 0.292 -4.977 -7.506 1.00 0.00 C ATOM 651 CD2 LEU A 45 -1.928 -6.122 -7.387 1.00 0.00 C ATOM 0 H LEU A 45 -2.739 -1.494 -9.357 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.048 -2.627 -8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.887 -3.369 -7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.771 -3.966 -8.698 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.909 -5.551 -9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.778 -5.949 -7.421 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.913 -4.312 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.159 -4.549 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.411 -7.078 -7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.116 -5.722 -6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.876 -6.267 -7.904 1.00 0.00 H new ATOM 663 N ASP A 46 0.157 -3.550 -11.123 1.00 0.00 N ATOM 664 CA ASP A 46 0.325 -4.032 -12.489 1.00 0.00 C ATOM 665 C ASP A 46 -0.219 -3.020 -13.493 1.00 0.00 C ATOM 666 O ASP A 46 -0.845 -3.391 -14.485 1.00 0.00 O ATOM 667 CB ASP A 46 -0.380 -5.377 -12.668 1.00 0.00 C ATOM 668 CG ASP A 46 0.065 -6.101 -13.924 1.00 0.00 C ATOM 669 OD1 ASP A 46 1.264 -6.437 -14.022 1.00 0.00 O ATOM 670 OD2 ASP A 46 -0.786 -6.333 -14.808 1.00 0.00 O ATOM 0 H ASP A 46 1.025 -3.470 -10.594 1.00 0.00 H new ATOM 0 HA ASP A 46 1.391 -4.163 -12.674 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.182 -6.006 -11.800 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.457 -5.217 -12.707 1.00 0.00 H new ATOM 675 N GLY A 47 0.025 -1.741 -13.227 1.00 0.00 N ATOM 676 CA GLY A 47 -0.448 -0.695 -14.116 1.00 0.00 C ATOM 677 C GLY A 47 -1.961 -0.605 -14.151 1.00 0.00 C ATOM 678 O GLY A 47 -2.549 -0.300 -15.189 1.00 0.00 O ATOM 0 H GLY A 47 0.542 -1.410 -12.412 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.037 0.263 -13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.075 -0.882 -15.123 1.00 0.00 H new ATOM 682 N LYS A 48 -2.595 -0.873 -13.015 1.00 0.00 N ATOM 683 CA LYS A 48 -4.049 -0.821 -12.918 1.00 0.00 C ATOM 684 C LYS A 48 -4.485 -0.262 -11.568 1.00 0.00 C ATOM 685 O LYS A 48 -3.859 -0.507 -10.536 1.00 0.00 O ATOM 686 CB LYS A 48 -4.644 -2.217 -13.120 1.00 0.00 C ATOM 687 CG LYS A 48 -4.370 -2.801 -14.495 1.00 0.00 C ATOM 688 CD LYS A 48 -5.136 -4.095 -14.714 1.00 0.00 C ATOM 689 CE LYS A 48 -4.495 -5.255 -13.967 1.00 0.00 C ATOM 690 NZ LYS A 48 -3.375 -5.861 -14.741 1.00 0.00 N ATOM 0 H LYS A 48 -2.124 -1.129 -12.147 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.417 -0.158 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.240 -2.888 -12.362 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.722 -2.170 -12.962 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.650 -2.078 -15.261 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.302 -2.986 -14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.166 -3.970 -14.380 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.172 -4.322 -15.779 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.124 -4.906 -13.003 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.248 -6.016 -13.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.424 -6.897 -14.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.451 -5.580 -15.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.468 -5.529 -14.356 1.00 0.00 H new ATOM 704 N PRO A 49 -5.585 0.506 -11.572 1.00 0.00 N ATOM 705 CA PRO A 49 -6.130 1.114 -10.355 1.00 0.00 C ATOM 706 C PRO A 49 -6.736 0.081 -9.412 1.00 0.00 C ATOM 707 O PRO A 49 -7.808 -0.464 -9.678 1.00 0.00 O ATOM 708 CB PRO A 49 -7.214 2.057 -10.884 1.00 0.00 C ATOM 709 CG PRO A 49 -7.619 1.471 -12.192 1.00 0.00 C ATOM 710 CD PRO A 49 -6.381 0.840 -12.765 1.00 0.00 C ATOM 0 HA PRO A 49 -5.359 1.615 -9.769 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.059 2.114 -10.197 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.832 3.071 -11.005 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.409 0.731 -12.060 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.010 2.239 -12.859 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.617 -0.048 -13.352 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.849 1.526 -13.424 1.00 0.00 H new ATOM 718 N VAL A 50 -6.044 -0.186 -8.309 1.00 0.00 N ATOM 719 CA VAL A 50 -6.516 -1.154 -7.325 1.00 0.00 C ATOM 720 C VAL A 50 -7.606 -0.555 -6.444 1.00 0.00 C ATOM 721 O VAL A 50 -7.433 0.520 -5.868 1.00 0.00 O ATOM 722 CB VAL A 50 -5.364 -1.652 -6.431 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.639 -0.478 -5.791 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.889 -2.608 -5.371 1.00 0.00 C ATOM 0 H VAL A 50 -5.154 0.254 -8.074 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.925 -1.997 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.651 -2.192 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.829 -0.849 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.229 0.165 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.339 0.093 -5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.062 -2.950 -4.748 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.623 -2.095 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.358 -3.465 -5.854 1.00 0.00 H new ATOM 734 N ARG A 51 -8.730 -1.257 -6.343 1.00 0.00 N ATOM 735 CA ARG A 51 -9.849 -0.794 -5.532 1.00 0.00 C ATOM 736 C ARG A 51 -10.021 -1.668 -4.293 1.00 0.00 C ATOM 737 O ARG A 51 -9.733 -2.865 -4.303 1.00 0.00 O ATOM 738 CB ARG A 51 -11.139 -0.799 -6.355 1.00 0.00 C ATOM 739 CG ARG A 51 -11.541 -2.178 -6.850 1.00 0.00 C ATOM 740 CD ARG A 51 -12.549 -2.091 -7.985 1.00 0.00 C ATOM 741 NE ARG A 51 -11.899 -1.985 -9.288 1.00 0.00 N ATOM 742 CZ ARG A 51 -11.423 -3.027 -9.959 1.00 0.00 C ATOM 743 NH1 ARG A 51 -11.524 -4.248 -9.452 1.00 0.00 N ATOM 744 NH2 ARG A 51 -10.844 -2.850 -11.140 1.00 0.00 N ATOM 0 H ARG A 51 -8.890 -2.148 -6.813 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.635 0.225 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.948 -0.390 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.016 -0.137 -7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.656 -2.716 -7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.967 -2.751 -6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.189 -2.973 -7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.195 -1.226 -7.831 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.805 -1.059 -9.706 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.968 -4.388 -8.545 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.158 -5.047 -9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.764 -1.912 -11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.479 -3.652 -11.654 1.00 0.00 H new ATOM 758 N PRO A 52 -10.501 -1.058 -3.199 1.00 0.00 N ATOM 759 CA PRO A 52 -10.722 -1.761 -1.932 1.00 0.00 C ATOM 760 C PRO A 52 -11.883 -2.747 -2.011 1.00 0.00 C ATOM 761 O PRO A 52 -13.014 -2.365 -2.312 1.00 0.00 O ATOM 762 CB PRO A 52 -11.044 -0.632 -0.951 1.00 0.00 C ATOM 763 CG PRO A 52 -11.588 0.465 -1.801 1.00 0.00 C ATOM 764 CD PRO A 52 -10.865 0.367 -3.115 1.00 0.00 C ATOM 0 HA PRO A 52 -9.859 -2.361 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.771 -0.952 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.153 -0.310 -0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.664 0.356 -1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.423 1.437 -1.336 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.501 0.669 -3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.984 1.009 -3.138 1.00 0.00 H new ATOM 772 N ASP A 53 -11.596 -4.015 -1.738 1.00 0.00 N ATOM 773 CA ASP A 53 -12.617 -5.055 -1.777 1.00 0.00 C ATOM 774 C ASP A 53 -12.691 -5.793 -0.444 1.00 0.00 C ATOM 775 O ASP A 53 -11.940 -5.495 0.485 1.00 0.00 O ATOM 776 CB ASP A 53 -12.326 -6.044 -2.906 1.00 0.00 C ATOM 777 CG ASP A 53 -12.369 -5.390 -4.274 1.00 0.00 C ATOM 778 OD1 ASP A 53 -13.438 -4.862 -4.645 1.00 0.00 O ATOM 779 OD2 ASP A 53 -11.334 -5.406 -4.972 1.00 0.00 O ATOM 0 H ASP A 53 -10.665 -4.347 -1.487 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.579 -4.578 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.344 -6.490 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.053 -6.855 -2.871 1.00 0.00 H new ATOM 784 N SER A 54 -13.601 -6.758 -0.357 1.00 0.00 N ATOM 785 CA SER A 54 -13.777 -7.536 0.863 1.00 0.00 C ATOM 786 C SER A 54 -12.429 -7.987 1.419 1.00 0.00 C ATOM 787 O SER A 54 -12.274 -8.175 2.625 1.00 0.00 O ATOM 788 CB SER A 54 -14.664 -8.753 0.594 1.00 0.00 C ATOM 789 OG SER A 54 -15.021 -9.401 1.803 1.00 0.00 O ATOM 0 H SER A 54 -14.228 -7.020 -1.118 1.00 0.00 H new ATOM 0 HA SER A 54 -14.261 -6.900 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.565 -8.441 0.065 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.139 -9.453 -0.056 1.00 0.00 H new ATOM 0 HG SER A 54 -15.589 -10.174 1.604 1.00 0.00 H new ATOM 795 N ALA A 55 -11.457 -8.159 0.529 1.00 0.00 N ATOM 796 CA ALA A 55 -10.122 -8.586 0.928 1.00 0.00 C ATOM 797 C ALA A 55 -9.203 -7.388 1.139 1.00 0.00 C ATOM 798 O ALA A 55 -8.585 -7.245 2.195 1.00 0.00 O ATOM 799 CB ALA A 55 -9.535 -9.527 -0.113 1.00 0.00 C ATOM 0 H ALA A 55 -11.570 -8.009 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.206 -9.118 1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.538 -9.838 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.174 -10.404 -0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.472 -9.014 -1.073 1.00 0.00 H new ATOM 805 N HIS A 56 -9.116 -6.529 0.128 1.00 0.00 N ATOM 806 CA HIS A 56 -8.272 -5.342 0.204 1.00 0.00 C ATOM 807 C HIS A 56 -8.975 -4.222 0.964 1.00 0.00 C ATOM 808 O HIS A 56 -10.015 -3.723 0.535 1.00 0.00 O ATOM 809 CB HIS A 56 -7.899 -4.865 -1.201 1.00 0.00 C ATOM 810 CG HIS A 56 -7.222 -5.913 -2.029 1.00 0.00 C ATOM 811 ND1 HIS A 56 -7.870 -7.036 -2.499 1.00 0.00 N ATOM 812 CD2 HIS A 56 -5.947 -6.003 -2.473 1.00 0.00 C ATOM 813 CE1 HIS A 56 -7.022 -7.773 -3.194 1.00 0.00 C ATOM 814 NE2 HIS A 56 -5.848 -7.168 -3.195 1.00 0.00 N ATOM 0 H HIS A 56 -9.619 -6.633 -0.753 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.363 -5.607 0.743 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.802 -4.534 -1.715 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.243 -3.998 -1.119 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.155 -5.292 -2.293 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.250 -8.711 -3.679 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.005 -7.510 -3.657 1.00 0.00 H new ATOM 822 N LYS A 57 -8.400 -3.831 2.097 1.00 0.00 N ATOM 823 CA LYS A 57 -8.970 -2.770 2.918 1.00 0.00 C ATOM 824 C LYS A 57 -8.036 -1.566 2.977 1.00 0.00 C ATOM 825 O LYS A 57 -6.950 -1.639 3.551 1.00 0.00 O ATOM 826 CB LYS A 57 -9.246 -3.284 4.333 1.00 0.00 C ATOM 827 CG LYS A 57 -10.058 -2.321 5.182 1.00 0.00 C ATOM 828 CD LYS A 57 -9.919 -2.631 6.663 1.00 0.00 C ATOM 829 CE LYS A 57 -10.820 -3.784 7.079 1.00 0.00 C ATOM 830 NZ LYS A 57 -12.240 -3.355 7.217 1.00 0.00 N ATOM 0 H LYS A 57 -7.539 -4.234 2.467 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.909 -2.457 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.776 -4.234 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.296 -3.482 4.830 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.729 -1.300 4.991 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.108 -2.377 4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.882 -2.879 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.168 -1.745 7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.752 -4.583 6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.471 -4.195 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.804 -4.141 7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.296 -2.542 7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.612 -3.082 6.285 1.00 0.00 H new ATOM 844 N MET A 58 -8.466 -0.459 2.380 1.00 0.00 N ATOM 845 CA MET A 58 -7.668 0.762 2.368 1.00 0.00 C ATOM 846 C MET A 58 -8.063 1.681 3.519 1.00 0.00 C ATOM 847 O MET A 58 -9.242 1.984 3.709 1.00 0.00 O ATOM 848 CB MET A 58 -7.836 1.493 1.035 1.00 0.00 C ATOM 849 CG MET A 58 -6.838 1.060 -0.026 1.00 0.00 C ATOM 850 SD MET A 58 -7.422 1.381 -1.702 1.00 0.00 S ATOM 851 CE MET A 58 -7.380 -0.269 -2.397 1.00 0.00 C ATOM 0 H MET A 58 -9.362 -0.382 1.899 1.00 0.00 H new ATOM 0 HA MET A 58 -6.621 0.484 2.492 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.846 1.324 0.662 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.733 2.565 1.203 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.895 1.584 0.132 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.634 -0.005 0.086 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.732 -0.238 -3.428 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.358 -0.648 -2.373 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.024 -0.926 -1.813 1.00 0.00 H new ATOM 861 N LEU A 59 -7.071 2.123 4.285 1.00 0.00 N ATOM 862 CA LEU A 59 -7.315 3.008 5.418 1.00 0.00 C ATOM 863 C LEU A 59 -6.702 4.383 5.177 1.00 0.00 C ATOM 864 O LEU A 59 -5.570 4.496 4.706 1.00 0.00 O ATOM 865 CB LEU A 59 -6.742 2.399 6.699 1.00 0.00 C ATOM 866 CG LEU A 59 -7.354 1.070 7.143 1.00 0.00 C ATOM 867 CD1 LEU A 59 -6.700 -0.091 6.410 1.00 0.00 C ATOM 868 CD2 LEU A 59 -7.218 0.897 8.649 1.00 0.00 C ATOM 0 H LEU A 59 -6.090 1.883 4.142 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.393 3.126 5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.671 2.254 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.865 3.120 7.507 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.415 1.079 6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.149 -1.028 6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.850 0.026 5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.632 -0.104 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.659 -0.054 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.163 0.910 8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.735 1.711 9.157 1.00 0.00 H new ATOM 880 N VAL A 60 -7.456 5.428 5.504 1.00 0.00 N ATOM 881 CA VAL A 60 -6.986 6.796 5.326 1.00 0.00 C ATOM 882 C VAL A 60 -6.987 7.554 6.649 1.00 0.00 C ATOM 883 O VAL A 60 -8.038 7.967 7.139 1.00 0.00 O ATOM 884 CB VAL A 60 -7.854 7.560 4.309 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.349 8.985 4.140 1.00 0.00 C ATOM 886 CG2 VAL A 60 -7.875 6.831 2.974 1.00 0.00 C ATOM 0 H VAL A 60 -8.396 5.353 5.894 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.966 6.733 4.947 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.875 7.605 4.689 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.975 9.509 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.390 9.502 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.320 8.966 3.782 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.493 7.384 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.859 6.754 2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.288 5.832 3.112 1.00 0.00 H new ATOM 896 N ARG A 61 -5.801 7.734 7.222 1.00 0.00 N ATOM 897 CA ARG A 61 -5.665 8.442 8.490 1.00 0.00 C ATOM 898 C ARG A 61 -5.671 9.952 8.272 1.00 0.00 C ATOM 899 O ARG A 61 -5.326 10.435 7.194 1.00 0.00 O ATOM 900 CB ARG A 61 -4.375 8.023 9.196 1.00 0.00 C ATOM 901 CG ARG A 61 -4.089 6.533 9.109 1.00 0.00 C ATOM 902 CD ARG A 61 -4.745 5.772 10.252 1.00 0.00 C ATOM 903 NE ARG A 61 -4.145 6.100 11.542 1.00 0.00 N ATOM 904 CZ ARG A 61 -3.008 5.572 11.980 1.00 0.00 C ATOM 905 NH1 ARG A 61 -2.350 4.696 11.234 1.00 0.00 N ATOM 906 NH2 ARG A 61 -2.526 5.920 13.166 1.00 0.00 N ATOM 0 H ARG A 61 -4.921 7.400 6.829 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.516 8.179 9.118 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.539 8.571 8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.435 8.312 10.245 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.453 6.147 8.157 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.012 6.366 9.130 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.810 6.004 10.278 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.656 4.701 10.073 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.626 6.772 12.140 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.717 4.426 10.321 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.477 4.292 11.573 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.029 6.594 13.743 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.653 5.513 13.501 1.00 0.00 H new ATOM 920 N GLU A 62 -6.065 10.693 9.303 1.00 0.00 N ATOM 921 CA GLU A 62 -6.117 12.148 9.223 1.00 0.00 C ATOM 922 C GLU A 62 -4.713 12.744 9.246 1.00 0.00 C ATOM 923 O GLU A 62 -4.520 13.917 8.931 1.00 0.00 O ATOM 924 CB GLU A 62 -6.943 12.715 10.380 1.00 0.00 C ATOM 925 CG GLU A 62 -6.407 12.341 11.751 1.00 0.00 C ATOM 926 CD GLU A 62 -7.321 12.788 12.876 1.00 0.00 C ATOM 927 OE1 GLU A 62 -7.640 13.994 12.937 1.00 0.00 O ATOM 928 OE2 GLU A 62 -7.717 11.933 13.695 1.00 0.00 O ATOM 0 H GLU A 62 -6.353 10.310 10.203 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.592 12.418 8.280 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.974 13.801 10.295 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.969 12.359 10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.275 11.260 11.803 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.423 12.790 11.887 1.00 0.00 H new ATOM 935 N ASN A 63 -3.735 11.926 9.623 1.00 0.00 N ATOM 936 CA ASN A 63 -2.348 12.373 9.689 1.00 0.00 C ATOM 937 C ASN A 63 -1.632 12.120 8.365 1.00 0.00 C ATOM 938 O ASN A 63 -0.458 12.452 8.210 1.00 0.00 O ATOM 939 CB ASN A 63 -1.613 11.656 10.824 1.00 0.00 C ATOM 940 CG ASN A 63 -1.933 12.247 12.183 1.00 0.00 C ATOM 941 OD1 ASN A 63 -1.550 13.377 12.487 1.00 0.00 O ATOM 942 ND2 ASN A 63 -2.638 11.483 13.009 1.00 0.00 N ATOM 0 H ASN A 63 -3.877 10.951 9.887 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.346 13.445 9.884 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.882 10.600 10.818 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.538 11.712 10.650 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.883 11.827 13.938 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.935 10.552 12.715 1.00 0.00 H new ATOM 949 N GLY A 64 -2.350 11.532 7.413 1.00 0.00 N ATOM 950 CA GLY A 64 -1.767 11.246 6.115 1.00 0.00 C ATOM 951 C GLY A 64 -1.160 9.859 6.045 1.00 0.00 C ATOM 952 O GLY A 64 -0.624 9.459 5.012 1.00 0.00 O ATOM 0 H GLY A 64 -3.324 11.249 7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.534 11.343 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.999 11.987 5.894 1.00 0.00 H new ATOM 956 N VAL A 65 -1.243 9.122 7.148 1.00 0.00 N ATOM 957 CA VAL A 65 -0.697 7.771 7.208 1.00 0.00 C ATOM 958 C VAL A 65 -1.587 6.784 6.461 1.00 0.00 C ATOM 959 O VAL A 65 -2.631 6.368 6.966 1.00 0.00 O ATOM 960 CB VAL A 65 -0.532 7.296 8.665 1.00 0.00 C ATOM 961 CG1 VAL A 65 -0.388 5.783 8.720 1.00 0.00 C ATOM 962 CG2 VAL A 65 0.662 7.978 9.315 1.00 0.00 C ATOM 0 H VAL A 65 -1.683 9.438 8.012 1.00 0.00 H new ATOM 0 HA VAL A 65 0.283 7.805 6.731 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.427 7.572 9.223 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.273 5.466 9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.277 5.317 8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.489 5.480 8.148 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.764 7.631 10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.567 7.735 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.512 9.058 9.309 1.00 0.00 H new ATOM 972 N HIS A 66 -1.168 6.413 5.256 1.00 0.00 N ATOM 973 CA HIS A 66 -1.928 5.473 4.439 1.00 0.00 C ATOM 974 C HIS A 66 -1.432 4.046 4.650 1.00 0.00 C ATOM 975 O HIS A 66 -0.235 3.812 4.816 1.00 0.00 O ATOM 976 CB HIS A 66 -1.822 5.849 2.961 1.00 0.00 C ATOM 977 CG HIS A 66 -2.889 6.796 2.506 1.00 0.00 C ATOM 978 ND1 HIS A 66 -3.733 6.528 1.448 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.249 8.015 2.972 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.564 7.541 1.283 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.292 8.457 2.195 1.00 0.00 N ATOM 0 H HIS A 66 -0.307 6.748 4.823 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.973 5.525 4.745 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.846 6.299 2.778 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.872 4.942 2.359 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.800 8.542 3.801 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.335 7.609 0.530 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.777 9.347 2.304 1.00 0.00 H new ATOM 989 N SER A 67 -2.360 3.095 4.642 1.00 0.00 N ATOM 990 CA SER A 67 -2.018 1.691 4.837 1.00 0.00 C ATOM 991 C SER A 67 -2.918 0.790 3.997 1.00 0.00 C ATOM 992 O SER A 67 -4.108 1.063 3.831 1.00 0.00 O ATOM 993 CB SER A 67 -2.138 1.315 6.316 1.00 0.00 C ATOM 994 OG SER A 67 -1.313 2.140 7.120 1.00 0.00 O ATOM 0 H SER A 67 -3.355 3.271 4.503 1.00 0.00 H new ATOM 0 HA SER A 67 -0.987 1.546 4.515 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.176 1.411 6.636 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.857 0.271 6.453 1.00 0.00 H new ATOM 0 HG SER A 67 -1.409 1.881 8.060 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.343 -0.284 3.470 1.00 0.00 N ATOM 1001 CA LEU A 68 -3.092 -1.227 2.646 1.00 0.00 C ATOM 1002 C LEU A 68 -3.047 -2.629 3.245 1.00 0.00 C ATOM 1003 O LEU A 68 -2.017 -3.302 3.198 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.531 -1.250 1.223 1.00 0.00 C ATOM 1005 CG LEU A 68 -3.300 -2.100 0.212 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.603 -1.419 -0.176 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.447 -2.364 -1.021 1.00 0.00 C ATOM 0 H LEU A 68 -1.360 -0.524 3.598 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.131 -0.898 2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.493 -0.226 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.504 -1.612 1.265 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.538 -3.057 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.137 -2.039 -0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.220 -1.281 0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.387 -0.448 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.010 -2.971 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.178 -1.416 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.541 -2.895 -0.730 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.171 -3.063 3.806 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.260 -4.387 4.411 1.00 0.00 C ATOM 1021 C ILE A 69 -5.066 -5.339 3.534 1.00 0.00 C ATOM 1022 O ILE A 69 -6.264 -5.143 3.325 1.00 0.00 O ATOM 1023 CB ILE A 69 -4.905 -4.324 5.808 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.082 -3.426 6.734 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.034 -5.722 6.395 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -4.757 -3.142 8.057 1.00 0.00 C ATOM 0 H ILE A 69 -5.032 -2.518 3.854 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.240 -4.760 4.506 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.903 -3.897 5.712 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.118 -3.898 6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.882 -2.482 6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.492 -5.661 7.382 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.657 -6.334 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.046 -6.173 6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.117 -2.500 8.662 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.709 -2.642 7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.933 -4.080 8.584 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.401 -6.371 3.024 1.00 0.00 N ATOM 1039 CA ILE A 70 -5.056 -7.355 2.172 1.00 0.00 C ATOM 1040 C ILE A 70 -5.222 -8.686 2.897 1.00 0.00 C ATOM 1041 O ILE A 70 -4.240 -9.341 3.246 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.267 -7.587 0.871 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -3.921 -6.250 0.212 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -5.065 -8.463 -0.084 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.682 -6.305 -0.654 1.00 0.00 C ATOM 0 H ILE A 70 -3.409 -6.547 3.186 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.039 -6.954 1.924 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.338 -8.102 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.765 -5.925 -0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.779 -5.498 0.988 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.494 -8.618 -0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.265 -9.426 0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.009 -7.974 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.498 -5.322 -1.088 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.826 -6.599 -0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.828 -7.033 -1.452 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.472 -9.081 3.120 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.766 -10.336 3.803 1.00 0.00 C ATOM 1059 C GLU A 71 -8.162 -10.837 3.444 1.00 0.00 C ATOM 1060 O GLU A 71 -9.164 -10.146 3.630 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.651 -10.156 5.318 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.564 -11.467 6.081 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.907 -12.159 6.206 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.943 -11.473 6.083 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.922 -13.389 6.427 1.00 0.00 O ATOM 0 H GLU A 71 -7.296 -8.551 2.838 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.037 -11.078 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.767 -9.558 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.514 -9.594 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.863 -12.131 5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.163 -11.278 7.077 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.230 -12.068 2.916 1.00 0.00 N ATOM 1073 CA PRO A 72 -7.045 -12.899 2.689 1.00 0.00 C ATOM 1074 C PRO A 72 -6.165 -12.360 1.566 1.00 0.00 C ATOM 1075 O PRO A 72 -6.386 -11.257 1.066 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.633 -14.258 2.302 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.976 -13.943 1.740 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.471 -12.742 2.498 1.00 0.00 C ATOM 0 HA PRO A 72 -6.398 -12.933 3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.006 -14.766 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.710 -14.917 3.167 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.913 -13.732 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.656 -14.787 1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.087 -12.097 1.871 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.080 -13.030 3.355 1.00 0.00 H new ATOM 1086 N VAL A 73 -5.166 -13.145 1.174 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.254 -12.747 0.109 1.00 0.00 C ATOM 1088 C VAL A 73 -4.212 -13.794 -0.999 1.00 0.00 C ATOM 1089 O VAL A 73 -4.410 -14.984 -0.752 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.827 -12.526 0.645 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.823 -12.510 -0.498 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.754 -11.236 1.448 1.00 0.00 C ATOM 0 H VAL A 73 -4.968 -14.060 1.578 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.632 -11.808 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.574 -13.354 1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.821 -12.353 -0.100 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.858 -13.463 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.070 -11.703 -1.188 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.739 -11.095 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.027 -10.395 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.444 -11.292 2.290 1.00 0.00 H new ATOM 1102 N THR A 74 -3.953 -13.343 -2.223 1.00 0.00 N ATOM 1103 CA THR A 74 -3.886 -14.240 -3.369 1.00 0.00 C ATOM 1104 C THR A 74 -2.646 -13.963 -4.212 1.00 0.00 C ATOM 1105 O THR A 74 -2.075 -12.874 -4.154 1.00 0.00 O ATOM 1106 CB THR A 74 -5.137 -14.110 -4.258 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.159 -12.824 -4.888 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.405 -14.300 -3.440 1.00 0.00 C ATOM 0 H THR A 74 -3.786 -12.362 -2.445 1.00 0.00 H new ATOM 0 HA THR A 74 -3.834 -15.255 -2.974 1.00 0.00 H new ATOM 0 HB THR A 74 -5.095 -14.888 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.956 -12.750 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.275 -14.204 -4.090 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.400 -15.291 -2.985 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.450 -13.542 -2.658 1.00 0.00 H new ATOM 1116 N SER A 75 -2.235 -14.954 -4.996 1.00 0.00 N ATOM 1117 CA SER A 75 -1.060 -14.818 -5.849 1.00 0.00 C ATOM 1118 C SER A 75 -1.163 -13.569 -6.720 1.00 0.00 C ATOM 1119 O SER A 75 -0.152 -12.990 -7.116 1.00 0.00 O ATOM 1120 CB SER A 75 -0.898 -16.057 -6.731 1.00 0.00 C ATOM 1121 OG SER A 75 -0.353 -17.139 -5.996 1.00 0.00 O ATOM 0 H SER A 75 -2.698 -15.861 -5.058 1.00 0.00 H new ATOM 0 HA SER A 75 -0.184 -14.721 -5.207 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.866 -16.344 -7.142 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.249 -15.824 -7.575 1.00 0.00 H new ATOM 0 HG SER A 75 -0.261 -17.919 -6.582 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.393 -13.161 -7.014 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.630 -11.982 -7.838 1.00 0.00 C ATOM 1129 C ARG A 76 -2.127 -10.721 -7.142 1.00 0.00 C ATOM 1130 O ARG A 76 -1.661 -9.785 -7.792 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.121 -11.844 -8.152 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.433 -10.750 -9.160 1.00 0.00 C ATOM 1133 CD ARG A 76 -5.906 -10.743 -9.537 1.00 0.00 C ATOM 1134 NE ARG A 76 -6.340 -12.031 -10.071 1.00 0.00 N ATOM 1135 CZ ARG A 76 -6.744 -13.043 -9.311 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -6.770 -12.917 -7.992 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -7.125 -14.184 -9.872 1.00 0.00 N ATOM 0 H ARG A 76 -3.241 -13.629 -6.694 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.079 -12.105 -8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.493 -12.795 -8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.661 -11.639 -7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.158 -9.781 -8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.828 -10.895 -10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.504 -10.494 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.087 -9.964 -10.278 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.333 -12.161 -11.083 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.479 -12.041 -7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.081 -13.696 -7.411 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.108 -14.284 -10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.435 -14.961 -9.288 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.224 -10.704 -5.817 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.778 -9.559 -5.032 1.00 0.00 C ATOM 1153 C ASP A 77 -0.274 -9.352 -5.179 1.00 0.00 C ATOM 1154 O ASP A 77 0.231 -8.245 -4.996 1.00 0.00 O ATOM 1155 CB ASP A 77 -2.137 -9.753 -3.558 1.00 0.00 C ATOM 1156 CG ASP A 77 -3.626 -9.948 -3.346 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -4.413 -9.468 -4.188 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -4.003 -10.580 -2.338 1.00 0.00 O ATOM 0 H ASP A 77 -2.608 -11.470 -5.264 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.287 -8.672 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.601 -10.618 -3.167 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.802 -8.886 -2.988 1.00 0.00 H new ATOM 1163 N ALA A 78 0.437 -10.426 -5.510 1.00 0.00 N ATOM 1164 CA ALA A 78 1.883 -10.362 -5.682 1.00 0.00 C ATOM 1165 C ALA A 78 2.252 -9.578 -6.936 1.00 0.00 C ATOM 1166 O ALA A 78 1.980 -10.012 -8.054 1.00 0.00 O ATOM 1167 CB ALA A 78 2.470 -11.764 -5.742 1.00 0.00 C ATOM 0 H ALA A 78 0.034 -11.350 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 78 2.304 -9.841 -4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.551 -11.701 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.245 -12.293 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.036 -12.305 -6.583 1.00 0.00 H new ATOM 1173 N GLY A 79 2.873 -8.418 -6.742 1.00 0.00 N ATOM 1174 CA GLY A 79 3.269 -7.591 -7.867 1.00 0.00 C ATOM 1175 C GLY A 79 4.036 -6.357 -7.438 1.00 0.00 C ATOM 1176 O GLY A 79 4.639 -6.334 -6.364 1.00 0.00 O ATOM 0 H GLY A 79 3.109 -8.037 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.885 -8.179 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.381 -7.288 -8.422 1.00 0.00 H new ATOM 1180 N ILE A 80 4.016 -5.327 -8.278 1.00 0.00 N ATOM 1181 CA ILE A 80 4.715 -4.084 -7.979 1.00 0.00 C ATOM 1182 C ILE A 80 3.731 -2.954 -7.696 1.00 0.00 C ATOM 1183 O ILE A 80 3.200 -2.333 -8.617 1.00 0.00 O ATOM 1184 CB ILE A 80 5.640 -3.666 -9.138 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.636 -4.783 -9.453 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.372 -2.377 -8.793 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.440 -5.232 -8.253 1.00 0.00 C ATOM 0 H ILE A 80 3.523 -5.329 -9.171 1.00 0.00 H new ATOM 0 HA ILE A 80 5.319 -4.267 -7.090 1.00 0.00 H new ATOM 0 HB ILE A 80 5.030 -3.489 -10.024 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.095 -5.638 -9.858 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.319 -4.441 -10.231 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.022 -2.095 -9.621 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.647 -1.583 -8.614 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.973 -2.529 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.125 -6.026 -8.550 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.009 -4.389 -7.860 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.766 -5.605 -7.482 1.00 0.00 H new ATOM 1199 N TYR A 81 3.494 -2.691 -6.415 1.00 0.00 N ATOM 1200 CA TYR A 81 2.574 -1.636 -6.009 1.00 0.00 C ATOM 1201 C TYR A 81 3.196 -0.259 -6.222 1.00 0.00 C ATOM 1202 O TYR A 81 4.290 0.024 -5.734 1.00 0.00 O ATOM 1203 CB TYR A 81 2.181 -1.810 -4.541 1.00 0.00 C ATOM 1204 CG TYR A 81 1.257 -2.981 -4.296 1.00 0.00 C ATOM 1205 CD1 TYR A 81 1.752 -4.276 -4.206 1.00 0.00 C ATOM 1206 CD2 TYR A 81 -0.113 -2.792 -4.155 1.00 0.00 C ATOM 1207 CE1 TYR A 81 0.911 -5.349 -3.983 1.00 0.00 C ATOM 1208 CE2 TYR A 81 -0.961 -3.859 -3.930 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.444 -5.136 -3.845 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.285 -6.202 -3.622 1.00 0.00 O ATOM 0 H TYR A 81 3.927 -3.194 -5.640 1.00 0.00 H new ATOM 0 HA TYR A 81 1.680 -1.710 -6.628 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.084 -1.940 -3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.697 -0.897 -4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.813 -4.447 -4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.521 -1.794 -4.222 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.313 -6.349 -3.917 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.023 -3.695 -3.821 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.910 -7.007 -4.037 1.00 0.00 H new ATOM 1220 N THR A 82 2.488 0.596 -6.954 1.00 0.00 N ATOM 1221 CA THR A 82 2.969 1.944 -7.232 1.00 0.00 C ATOM 1222 C THR A 82 1.919 2.988 -6.870 1.00 0.00 C ATOM 1223 O THR A 82 0.750 2.858 -7.235 1.00 0.00 O ATOM 1224 CB THR A 82 3.351 2.109 -8.715 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.406 1.202 -9.053 1.00 0.00 O ATOM 1226 CG2 THR A 82 3.789 3.536 -9.006 1.00 0.00 C ATOM 0 H THR A 82 1.580 0.379 -7.365 1.00 0.00 H new ATOM 0 HA THR A 82 3.856 2.096 -6.617 1.00 0.00 H new ATOM 0 HB THR A 82 2.473 1.885 -9.320 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.642 1.312 -9.998 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.054 3.628 -10.059 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.973 4.221 -8.776 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.655 3.783 -8.392 1.00 0.00 H new ATOM 1234 N CYS A 83 2.343 4.022 -6.152 1.00 0.00 N ATOM 1235 CA CYS A 83 1.438 5.089 -5.741 1.00 0.00 C ATOM 1236 C CYS A 83 1.935 6.444 -6.235 1.00 0.00 C ATOM 1237 O CYS A 83 3.138 6.661 -6.376 1.00 0.00 O ATOM 1238 CB CYS A 83 1.297 5.108 -4.218 1.00 0.00 C ATOM 1239 SG CYS A 83 -0.013 4.035 -3.584 1.00 0.00 S ATOM 0 H CYS A 83 3.307 4.144 -5.843 1.00 0.00 H new ATOM 0 HA CYS A 83 0.462 4.896 -6.187 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.245 4.808 -3.772 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.103 6.131 -3.895 1.00 0.00 H new ATOM 0 HG CYS A 83 0.486 2.873 -3.281 1.00 0.00 H new ATOM 1245 N ILE A 84 1.000 7.351 -6.498 1.00 0.00 N ATOM 1246 CA ILE A 84 1.343 8.684 -6.977 1.00 0.00 C ATOM 1247 C ILE A 84 0.613 9.760 -6.180 1.00 0.00 C ATOM 1248 O ILE A 84 -0.570 10.015 -6.403 1.00 0.00 O ATOM 1249 CB ILE A 84 1.006 8.850 -8.471 1.00 0.00 C ATOM 1250 CG1 ILE A 84 1.725 7.783 -9.299 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.386 10.243 -8.948 1.00 0.00 C ATOM 1252 CD1 ILE A 84 0.981 6.468 -9.367 1.00 0.00 C ATOM 0 H ILE A 84 -0.001 7.187 -6.387 1.00 0.00 H new ATOM 0 HA ILE A 84 2.418 8.801 -6.840 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.069 8.723 -8.603 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.874 8.159 -10.311 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.714 7.610 -8.874 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.142 10.345 -10.005 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.833 10.987 -8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.456 10.397 -8.806 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.549 5.759 -9.970 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.855 6.069 -8.361 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.002 6.627 -9.820 1.00 0.00 H new ATOM 1264 N ALA A 85 1.326 10.388 -5.252 1.00 0.00 N ATOM 1265 CA ALA A 85 0.747 11.439 -4.424 1.00 0.00 C ATOM 1266 C ALA A 85 0.912 12.806 -5.079 1.00 0.00 C ATOM 1267 O ALA A 85 2.009 13.366 -5.105 1.00 0.00 O ATOM 1268 CB ALA A 85 1.383 11.433 -3.042 1.00 0.00 C ATOM 0 H ALA A 85 2.306 10.187 -5.054 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.320 11.241 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 85 0.941 12.223 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.209 10.468 -2.565 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.456 11.603 -3.134 1.00 0.00 H new ATOM 1274 N THR A 86 -0.184 13.341 -5.608 1.00 0.00 N ATOM 1275 CA THR A 86 -0.161 14.642 -6.264 1.00 0.00 C ATOM 1276 C THR A 86 -0.878 15.693 -5.426 1.00 0.00 C ATOM 1277 O THR A 86 -2.080 15.591 -5.181 1.00 0.00 O ATOM 1278 CB THR A 86 -0.813 14.580 -7.658 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.560 13.306 -8.261 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.279 15.686 -8.555 1.00 0.00 C ATOM 0 H THR A 86 -1.100 12.892 -5.595 1.00 0.00 H new ATOM 0 HA THR A 86 0.887 14.922 -6.374 1.00 0.00 H new ATOM 0 HB THR A 86 -1.888 14.718 -7.538 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.150 13.396 -8.930 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.754 15.622 -9.534 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.499 16.655 -8.108 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.799 15.575 -8.667 1.00 0.00 H new ATOM 1288 N ASN A 87 -0.134 16.704 -4.990 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.701 17.776 -4.178 1.00 0.00 C ATOM 1290 C ASN A 87 -0.553 19.124 -4.878 1.00 0.00 C ATOM 1291 O ASN A 87 -0.097 19.196 -6.019 1.00 0.00 O ATOM 1292 CB ASN A 87 -0.020 17.822 -2.809 1.00 0.00 C ATOM 1293 CG ASN A 87 1.478 18.031 -2.915 1.00 0.00 C ATOM 1294 OD1 ASN A 87 2.069 17.840 -3.978 1.00 0.00 O ATOM 1295 ND2 ASN A 87 2.100 18.424 -1.810 1.00 0.00 N ATOM 0 H ASN A 87 0.862 16.804 -5.185 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.763 17.572 -4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.455 18.627 -2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.217 16.892 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.108 18.580 -1.820 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.570 18.570 -0.951 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.941 20.189 -4.185 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.852 21.535 -4.739 1.00 0.00 C ATOM 1304 C ARG A 88 0.600 21.916 -5.012 1.00 0.00 C ATOM 1305 O ARG A 88 0.895 22.628 -5.971 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.484 22.547 -3.781 1.00 0.00 C ATOM 1307 CG ARG A 88 -1.283 23.993 -4.203 1.00 0.00 C ATOM 1308 CD ARG A 88 -2.328 24.427 -5.219 1.00 0.00 C ATOM 1309 NE ARG A 88 -2.445 25.880 -5.297 1.00 0.00 N ATOM 1310 CZ ARG A 88 -3.276 26.507 -6.123 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -4.058 25.812 -6.936 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -3.326 27.833 -6.135 1.00 0.00 N ATOM 0 H ARG A 88 -1.320 20.146 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.397 21.549 -5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.552 22.345 -3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.062 22.406 -2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.335 24.639 -3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.287 24.114 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.066 24.031 -6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.294 23.999 -4.951 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.857 26.445 -4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.023 24.793 -6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.695 26.296 -7.569 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.726 28.372 -5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.964 28.314 -6.769 1.00 0.00 H new ATOM 1326 N ALA A 89 1.502 21.436 -4.162 1.00 0.00 N ATOM 1327 CA ALA A 89 2.923 21.725 -4.313 1.00 0.00 C ATOM 1328 C ALA A 89 3.506 20.998 -5.520 1.00 0.00 C ATOM 1329 O ALA A 89 3.989 21.626 -6.461 1.00 0.00 O ATOM 1330 CB ALA A 89 3.677 21.340 -3.048 1.00 0.00 C ATOM 0 H ALA A 89 1.274 20.846 -3.362 1.00 0.00 H new ATOM 0 HA ALA A 89 3.035 22.797 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.737 21.561 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.286 21.908 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.549 20.274 -2.858 1.00 0.00 H new ATOM 1336 N GLY A 90 3.457 19.670 -5.486 1.00 0.00 N ATOM 1337 CA GLY A 90 3.985 18.880 -6.583 1.00 0.00 C ATOM 1338 C GLY A 90 3.406 17.479 -6.620 1.00 0.00 C ATOM 1339 O GLY A 90 2.222 17.283 -6.345 1.00 0.00 O ATOM 0 H GLY A 90 3.061 19.127 -4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.770 19.384 -7.526 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.070 18.819 -6.494 1.00 0.00 H new ATOM 1343 N GLN A 91 4.242 16.504 -6.961 1.00 0.00 N ATOM 1344 CA GLN A 91 3.804 15.115 -7.035 1.00 0.00 C ATOM 1345 C GLN A 91 4.985 14.163 -6.872 1.00 0.00 C ATOM 1346 O GLN A 91 6.092 14.448 -7.328 1.00 0.00 O ATOM 1347 CB GLN A 91 3.100 14.850 -8.366 1.00 0.00 C ATOM 1348 CG GLN A 91 2.933 13.372 -8.683 1.00 0.00 C ATOM 1349 CD GLN A 91 2.519 13.127 -10.121 1.00 0.00 C ATOM 1350 OE1 GLN A 91 1.394 12.707 -10.391 1.00 0.00 O ATOM 1351 NE2 GLN A 91 3.429 13.388 -11.052 1.00 0.00 N ATOM 0 H GLN A 91 5.225 16.650 -7.190 1.00 0.00 H new ATOM 0 HA GLN A 91 3.102 14.938 -6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.118 15.322 -8.348 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.667 15.323 -9.168 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.871 12.854 -8.486 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.185 12.943 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.349 13.735 -10.782 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.208 13.242 -12.037 1.00 0.00 H new ATOM 1360 N ASN A 92 4.741 13.031 -6.219 1.00 0.00 N ATOM 1361 CA ASN A 92 5.785 12.038 -5.996 1.00 0.00 C ATOM 1362 C ASN A 92 5.209 10.626 -6.033 1.00 0.00 C ATOM 1363 O ASN A 92 4.073 10.396 -5.618 1.00 0.00 O ATOM 1364 CB ASN A 92 6.473 12.284 -4.652 1.00 0.00 C ATOM 1365 CG ASN A 92 7.654 11.359 -4.428 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.610 11.356 -5.204 1.00 0.00 O ATOM 1367 ND2 ASN A 92 7.592 10.567 -3.364 1.00 0.00 N ATOM 0 H ASN A 92 3.830 12.779 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 92 6.519 12.134 -6.796 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.812 13.319 -4.605 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.751 12.148 -3.847 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.356 9.922 -3.163 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.780 10.603 -2.748 1.00 0.00 H new ATOM 1374 N SER A 93 6.000 9.682 -6.533 1.00 0.00 N ATOM 1375 CA SER A 93 5.568 8.293 -6.628 1.00 0.00 C ATOM 1376 C SER A 93 6.658 7.349 -6.127 1.00 0.00 C ATOM 1377 O SER A 93 7.834 7.710 -6.080 1.00 0.00 O ATOM 1378 CB SER A 93 5.203 7.947 -8.073 1.00 0.00 C ATOM 1379 OG SER A 93 4.641 9.065 -8.738 1.00 0.00 O ATOM 0 H SER A 93 6.944 9.854 -6.879 1.00 0.00 H new ATOM 0 HA SER A 93 4.687 8.169 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.093 7.612 -8.606 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.494 7.119 -8.084 1.00 0.00 H new ATOM 0 HG SER A 93 4.418 8.819 -9.660 1.00 0.00 H new ATOM 1385 N PHE A 94 6.258 6.139 -5.753 1.00 0.00 N ATOM 1386 CA PHE A 94 7.199 5.143 -5.254 1.00 0.00 C ATOM 1387 C PHE A 94 6.698 3.730 -5.541 1.00 0.00 C ATOM 1388 O PHE A 94 5.510 3.441 -5.402 1.00 0.00 O ATOM 1389 CB PHE A 94 7.416 5.323 -3.751 1.00 0.00 C ATOM 1390 CG PHE A 94 6.395 4.614 -2.908 1.00 0.00 C ATOM 1391 CD1 PHE A 94 6.456 3.241 -2.731 1.00 0.00 C ATOM 1392 CD2 PHE A 94 5.374 5.320 -2.292 1.00 0.00 C ATOM 1393 CE1 PHE A 94 5.517 2.585 -1.957 1.00 0.00 C ATOM 1394 CE2 PHE A 94 4.433 4.670 -1.516 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.505 3.301 -1.348 1.00 0.00 C ATOM 0 H PHE A 94 5.288 5.824 -5.786 1.00 0.00 H new ATOM 0 HA PHE A 94 8.148 5.286 -5.771 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.409 4.957 -3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.396 6.387 -3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.246 2.677 -3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.313 6.391 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.575 1.514 -1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 94 3.642 5.232 -1.041 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.771 2.791 -0.741 1.00 0.00 H new ATOM 1405 N SER A 95 7.614 2.854 -5.943 1.00 0.00 N ATOM 1406 CA SER A 95 7.266 1.473 -6.254 1.00 0.00 C ATOM 1407 C SER A 95 7.858 0.518 -5.222 1.00 0.00 C ATOM 1408 O SER A 95 8.916 0.782 -4.649 1.00 0.00 O ATOM 1409 CB SER A 95 7.764 1.102 -7.653 1.00 0.00 C ATOM 1410 OG SER A 95 9.179 1.027 -7.687 1.00 0.00 O ATOM 0 H SER A 95 8.602 3.077 -6.061 1.00 0.00 H new ATOM 0 HA SER A 95 6.180 1.383 -6.226 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.339 0.144 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 95 7.418 1.843 -8.374 1.00 0.00 H new ATOM 0 HG SER A 95 9.472 0.787 -8.591 1.00 0.00 H new ATOM 1416 N LEU A 96 7.167 -0.592 -4.989 1.00 0.00 N ATOM 1417 CA LEU A 96 7.622 -1.589 -4.025 1.00 0.00 C ATOM 1418 C LEU A 96 7.403 -3.001 -4.558 1.00 0.00 C ATOM 1419 O LEU A 96 6.623 -3.210 -5.486 1.00 0.00 O ATOM 1420 CB LEU A 96 6.887 -1.413 -2.695 1.00 0.00 C ATOM 1421 CG LEU A 96 5.516 -2.082 -2.593 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.661 -3.539 -2.184 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.631 -1.335 -1.605 1.00 0.00 C ATOM 0 H LEU A 96 6.290 -0.825 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 96 8.690 -1.443 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.520 -1.804 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.763 -0.346 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 96 5.043 -2.047 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.675 -3.998 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.257 -4.068 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.155 -3.597 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.659 -1.825 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.101 -1.338 -0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.499 -0.306 -1.941 1.00 0.00 H new ATOM 1435 N GLU A 97 8.096 -3.967 -3.962 1.00 0.00 N ATOM 1436 CA GLU A 97 7.976 -5.360 -4.376 1.00 0.00 C ATOM 1437 C GLU A 97 7.241 -6.180 -3.320 1.00 0.00 C ATOM 1438 O GLU A 97 7.384 -5.939 -2.120 1.00 0.00 O ATOM 1439 CB GLU A 97 9.360 -5.960 -4.632 1.00 0.00 C ATOM 1440 CG GLU A 97 9.318 -7.401 -5.111 1.00 0.00 C ATOM 1441 CD GLU A 97 8.974 -7.518 -6.583 1.00 0.00 C ATOM 1442 OE1 GLU A 97 9.626 -6.837 -7.402 1.00 0.00 O ATOM 1443 OE2 GLU A 97 8.051 -8.291 -6.916 1.00 0.00 O ATOM 0 H GLU A 97 8.746 -3.810 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 97 7.399 -5.389 -5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.878 -5.354 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.945 -5.908 -3.714 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.286 -7.868 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.583 -7.953 -4.525 1.00 0.00 H new ATOM 1450 N LEU A 98 6.454 -7.149 -3.773 1.00 0.00 N ATOM 1451 CA LEU A 98 5.696 -8.006 -2.869 1.00 0.00 C ATOM 1452 C LEU A 98 5.630 -9.435 -3.398 1.00 0.00 C ATOM 1453 O LEU A 98 4.914 -9.720 -4.358 1.00 0.00 O ATOM 1454 CB LEU A 98 4.281 -7.455 -2.679 1.00 0.00 C ATOM 1455 CG LEU A 98 3.305 -8.357 -1.923 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.851 -8.697 -0.544 1.00 0.00 C ATOM 1457 CD2 LEU A 98 1.942 -7.691 -1.809 1.00 0.00 C ATOM 0 H LEU A 98 6.324 -7.361 -4.762 1.00 0.00 H new ATOM 0 HA LEU A 98 6.208 -8.018 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.351 -6.505 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.861 -7.242 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 98 3.188 -9.284 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.143 -9.340 -0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.804 -9.216 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.998 -7.779 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.260 -8.347 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.042 -6.748 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.546 -7.499 -2.806 1.00 0.00 H new ATOM 1469 N VAL A 99 6.381 -10.330 -2.765 1.00 0.00 N ATOM 1470 CA VAL A 99 6.406 -11.731 -3.170 1.00 0.00 C ATOM 1471 C VAL A 99 5.344 -12.536 -2.429 1.00 0.00 C ATOM 1472 O VAL A 99 5.115 -12.333 -1.237 1.00 0.00 O ATOM 1473 CB VAL A 99 7.786 -12.364 -2.914 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.770 -13.843 -3.271 1.00 0.00 C ATOM 1475 CG2 VAL A 99 8.863 -11.630 -3.700 1.00 0.00 C ATOM 0 H VAL A 99 6.980 -10.110 -1.970 1.00 0.00 H new ATOM 0 HA VAL A 99 6.196 -11.756 -4.239 1.00 0.00 H new ATOM 0 HB VAL A 99 8.016 -12.273 -1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.754 -14.273 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.027 -14.357 -2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.518 -13.960 -4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.832 -12.091 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.639 -11.688 -4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 99 8.890 -10.585 -3.391 1.00 0.00 H new ATOM 1485 N VAL A 100 4.698 -13.452 -3.144 1.00 0.00 N ATOM 1486 CA VAL A 100 3.661 -14.290 -2.554 1.00 0.00 C ATOM 1487 C VAL A 100 3.974 -15.769 -2.749 1.00 0.00 C ATOM 1488 O VAL A 100 4.173 -16.230 -3.873 1.00 0.00 O ATOM 1489 CB VAL A 100 2.279 -13.984 -3.162 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.237 -14.960 -2.638 1.00 0.00 C ATOM 1491 CG2 VAL A 100 1.873 -12.548 -2.866 1.00 0.00 C ATOM 0 H VAL A 100 4.875 -13.632 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 100 3.639 -14.064 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 100 2.343 -14.104 -4.244 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.267 -14.728 -3.079 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.524 -15.977 -2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.172 -14.875 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.894 -12.349 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.826 -12.398 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.607 -11.866 -3.295 1.00 0.00 H new ATOM 1501 N ALA A 101 4.015 -16.510 -1.646 1.00 0.00 N ATOM 1502 CA ALA A 101 4.300 -17.938 -1.695 1.00 0.00 C ATOM 1503 C ALA A 101 3.014 -18.757 -1.662 1.00 0.00 C ATOM 1504 O ALA A 101 2.190 -18.599 -0.762 1.00 0.00 O ATOM 1505 CB ALA A 101 5.210 -18.335 -0.542 1.00 0.00 C ATOM 0 H ALA A 101 3.854 -16.144 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 101 4.810 -18.149 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.414 -19.405 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.147 -17.783 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.721 -18.102 0.404 1.00 0.00 H new ATOM 1511 N ALA A 102 2.849 -19.631 -2.650 1.00 0.00 N ATOM 1512 CA ALA A 102 1.663 -20.475 -2.733 1.00 0.00 C ATOM 1513 C ALA A 102 1.484 -21.295 -1.460 1.00 0.00 C ATOM 1514 O ALA A 102 2.446 -21.561 -0.739 1.00 0.00 O ATOM 1515 CB ALA A 102 1.751 -21.390 -3.945 1.00 0.00 C ATOM 0 H ALA A 102 3.521 -19.773 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 102 0.793 -19.828 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.859 -22.015 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.824 -20.788 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.634 -22.024 -3.859 1.00 0.00 H new