USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=19 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 42 SER OG : rot -4:sc= 0.473! USER MOD Set 1.2: A 44 GLN : amide:sc= -2.44 K(o=-2,f=-7.6!) USER MOD Set 2.1: A 22 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Set 2.2: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-1.4!) USER MOD Single : A 14 GLN : amide:sc= -0.011 K(o=-0.011,f=-1.5!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot -51:sc= 0.491 USER MOD Single : A 29 MET CE :methyl -169:sc= -0.847 (180deg=-1.44) USER MOD Single : A 31 CYS SG : rot 22:sc= 0.498 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 48 LYS NZ :NH3+ 161:sc= -0.0252 (180deg=-0.215) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.8) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 176:sc= 0 (180deg=-0.0118) USER MOD Single : A 63 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.37) USER MOD Single : A 66 HIS : no HD1:sc= -6.87! C(o=-6.9!,f=-8.7!) USER MOD Single : A 67 SER OG : rot 1:sc= 0.488 USER MOD Single : A 74 THR OG1 : rot -33:sc= 0.353 USER MOD Single : A 75 SER OG : rot 63:sc= 1.19 USER MOD Single : A 81 TYR OH : rot 139:sc= 0.21 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 142:sc= -1.75 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -5.48! C(o=-5.5!,f=-5.5!) USER MOD Single : A 91 GLN : amide:sc= -4.71! C(o=-4.7!,f=-5.7!) USER MOD Single : A 92 ASN : amide:sc= -0.853 K(o=-0.85,f=-1.4) USER MOD Single : A 93 SER OG : rot 73:sc= 0.414 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 2.326 25.116 2.007 1.00 0.00 N ATOM 60 CA GLY A 7 2.338 23.716 1.627 1.00 0.00 C ATOM 61 C GLY A 7 3.727 23.224 1.271 1.00 0.00 C ATOM 62 O GLY A 7 4.648 24.020 1.086 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.943 23.117 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.674 23.568 0.775 1.00 0.00 H new ATOM 66 N PHE A 8 3.880 21.907 1.177 1.00 0.00 N ATOM 67 CA PHE A 8 5.168 21.309 0.844 1.00 0.00 C ATOM 68 C PHE A 8 5.001 20.201 -0.192 1.00 0.00 C ATOM 69 O PHE A 8 3.899 19.695 -0.403 1.00 0.00 O ATOM 70 CB PHE A 8 5.836 20.750 2.102 1.00 0.00 C ATOM 71 CG PHE A 8 5.688 21.638 3.304 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.598 22.655 3.547 1.00 0.00 C ATOM 73 CD2 PHE A 8 4.639 21.458 4.191 1.00 0.00 C ATOM 74 CE1 PHE A 8 6.465 23.473 4.652 1.00 0.00 C ATOM 75 CE2 PHE A 8 4.500 22.273 5.298 1.00 0.00 C ATOM 76 CZ PHE A 8 5.414 23.283 5.528 1.00 0.00 C ATOM 0 H PHE A 8 3.128 21.234 1.327 1.00 0.00 H new ATOM 0 HA PHE A 8 5.803 22.087 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.408 19.773 2.327 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.896 20.596 1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.421 22.810 2.864 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.921 20.671 4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.182 24.260 4.831 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.678 22.121 5.982 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.307 23.923 6.391 1.00 0.00 H new ATOM 86 N ARG A 9 6.103 19.831 -0.836 1.00 0.00 N ATOM 87 CA ARG A 9 6.080 18.785 -1.851 1.00 0.00 C ATOM 88 C ARG A 9 5.820 17.420 -1.220 1.00 0.00 C ATOM 89 O ARG A 9 6.327 17.100 -0.144 1.00 0.00 O ATOM 90 CB ARG A 9 7.403 18.760 -2.619 1.00 0.00 C ATOM 91 CG ARG A 9 7.263 18.293 -4.059 1.00 0.00 C ATOM 92 CD ARG A 9 8.514 18.598 -4.868 1.00 0.00 C ATOM 93 NE ARG A 9 9.710 18.013 -4.266 1.00 0.00 N ATOM 94 CZ ARG A 9 10.945 18.408 -4.554 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.146 19.384 -5.429 1.00 0.00 N ATOM 96 NH2 ARG A 9 11.983 17.828 -3.965 1.00 0.00 N ATOM 0 H ARG A 9 7.023 20.240 -0.673 1.00 0.00 H new ATOM 0 HA ARG A 9 5.269 19.006 -2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.837 19.760 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.102 18.105 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.069 17.221 -4.078 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.403 18.780 -4.519 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.393 18.215 -5.881 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.640 19.678 -4.949 1.00 0.00 H new ATOM 0 HE ARG A 9 9.590 17.261 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.351 19.834 -5.883 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.096 19.685 -5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.833 17.078 -3.290 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.931 18.132 -4.187 1.00 0.00 H new ATOM 110 N PRO A 10 5.012 16.596 -1.903 1.00 0.00 N ATOM 111 CA PRO A 10 4.667 15.253 -1.428 1.00 0.00 C ATOM 112 C PRO A 10 5.852 14.295 -1.484 1.00 0.00 C ATOM 113 O PRO A 10 6.344 13.964 -2.563 1.00 0.00 O ATOM 114 CB PRO A 10 3.571 14.804 -2.398 1.00 0.00 C ATOM 115 CG PRO A 10 3.821 15.587 -3.640 1.00 0.00 C ATOM 116 CD PRO A 10 4.373 16.912 -3.191 1.00 0.00 C ATOM 0 HA PRO A 10 4.355 15.259 -0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.625 13.732 -2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.579 15.006 -1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.527 15.071 -4.291 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.901 15.720 -4.209 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.090 17.312 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.586 17.657 -3.077 1.00 0.00 H new ATOM 124 N HIS A 11 6.306 13.853 -0.316 1.00 0.00 N ATOM 125 CA HIS A 11 7.434 12.932 -0.233 1.00 0.00 C ATOM 126 C HIS A 11 7.203 11.887 0.854 1.00 0.00 C ATOM 127 O HIS A 11 7.063 12.221 2.031 1.00 0.00 O ATOM 128 CB HIS A 11 8.727 13.699 0.047 1.00 0.00 C ATOM 129 CG HIS A 11 9.761 12.889 0.766 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.727 13.449 1.575 1.00 0.00 N ATOM 131 CD2 HIS A 11 9.975 11.553 0.796 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.492 12.492 2.070 1.00 0.00 C ATOM 133 NE2 HIS A 11 11.056 11.332 1.613 1.00 0.00 N ATOM 0 H HIS A 11 5.910 14.118 0.586 1.00 0.00 H new ATOM 0 HA HIS A 11 7.525 12.420 -1.191 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.144 14.049 -0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.494 14.584 0.640 1.00 0.00 H new ATOM 0 HD2 HIS A 11 9.402 10.801 0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 11 12.331 12.634 2.735 1.00 0.00 H new ATOM 0 HE2 HIS A 11 11.457 10.420 1.832 1.00 0.00 H new ATOM 141 N PHE A 12 7.164 10.621 0.452 1.00 0.00 N ATOM 142 CA PHE A 12 6.949 9.527 1.392 1.00 0.00 C ATOM 143 C PHE A 12 8.147 9.365 2.322 1.00 0.00 C ATOM 144 O PHE A 12 9.198 8.863 1.919 1.00 0.00 O ATOM 145 CB PHE A 12 6.695 8.221 0.637 1.00 0.00 C ATOM 146 CG PHE A 12 5.504 8.279 -0.278 1.00 0.00 C ATOM 147 CD1 PHE A 12 5.635 8.739 -1.578 1.00 0.00 C ATOM 148 CD2 PHE A 12 4.255 7.872 0.163 1.00 0.00 C ATOM 149 CE1 PHE A 12 4.541 8.794 -2.421 1.00 0.00 C ATOM 150 CE2 PHE A 12 3.158 7.925 -0.675 1.00 0.00 C ATOM 151 CZ PHE A 12 3.301 8.385 -1.969 1.00 0.00 C ATOM 0 H PHE A 12 7.278 10.327 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 12 6.073 9.767 1.995 1.00 0.00 H new ATOM 0 HB2 PHE A 12 7.580 7.970 0.053 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.551 7.416 1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.602 9.058 -1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.138 7.509 1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.655 9.156 -3.432 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.189 7.607 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.445 8.425 -2.627 1.00 0.00 H new ATOM 161 N LEU A 13 7.983 9.793 3.569 1.00 0.00 N ATOM 162 CA LEU A 13 9.051 9.696 4.558 1.00 0.00 C ATOM 163 C LEU A 13 9.431 8.240 4.809 1.00 0.00 C ATOM 164 O LEU A 13 10.606 7.878 4.754 1.00 0.00 O ATOM 165 CB LEU A 13 8.619 10.355 5.869 1.00 0.00 C ATOM 166 CG LEU A 13 8.747 11.878 5.929 1.00 0.00 C ATOM 167 CD1 LEU A 13 10.210 12.289 5.981 1.00 0.00 C ATOM 168 CD2 LEU A 13 8.053 12.518 4.735 1.00 0.00 C ATOM 0 H LEU A 13 7.121 10.211 3.919 1.00 0.00 H new ATOM 0 HA LEU A 13 9.924 10.217 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.579 10.090 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.211 9.928 6.679 1.00 0.00 H new ATOM 0 HG LEU A 13 8.260 12.229 6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.281 13.376 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.677 11.860 6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.722 11.926 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.154 13.602 4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.511 12.160 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.996 12.251 4.742 1.00 0.00 H new ATOM 180 N GLN A 14 8.429 7.411 5.081 1.00 0.00 N ATOM 181 CA GLN A 14 8.658 5.994 5.338 1.00 0.00 C ATOM 182 C GLN A 14 7.965 5.131 4.290 1.00 0.00 C ATOM 183 O GLN A 14 6.751 5.218 4.104 1.00 0.00 O ATOM 184 CB GLN A 14 8.160 5.620 6.735 1.00 0.00 C ATOM 185 CG GLN A 14 9.162 5.916 7.839 1.00 0.00 C ATOM 186 CD GLN A 14 8.534 5.901 9.218 1.00 0.00 C ATOM 187 OE1 GLN A 14 7.315 5.791 9.356 1.00 0.00 O ATOM 188 NE2 GLN A 14 9.364 6.012 10.249 1.00 0.00 N ATOM 0 H GLN A 14 7.451 7.696 5.129 1.00 0.00 H new ATOM 0 HA GLN A 14 9.731 5.810 5.281 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.237 6.162 6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.917 4.558 6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 14 9.965 5.180 7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.615 6.891 7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.367 6.101 10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.998 6.008 11.201 1.00 0.00 H new ATOM 197 N ALA A 15 8.744 4.299 3.606 1.00 0.00 N ATOM 198 CA ALA A 15 8.204 3.419 2.577 1.00 0.00 C ATOM 199 C ALA A 15 8.642 1.976 2.804 1.00 0.00 C ATOM 200 O ALA A 15 9.749 1.703 3.269 1.00 0.00 O ATOM 201 CB ALA A 15 8.636 3.893 1.198 1.00 0.00 C ATOM 0 H ALA A 15 9.751 4.216 3.746 1.00 0.00 H new ATOM 0 HA ALA A 15 7.116 3.455 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.226 3.227 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.268 4.905 1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.724 3.887 1.136 1.00 0.00 H new ATOM 207 N PRO A 16 7.754 1.028 2.470 1.00 0.00 N ATOM 208 CA PRO A 16 8.027 -0.404 2.628 1.00 0.00 C ATOM 209 C PRO A 16 9.080 -0.906 1.646 1.00 0.00 C ATOM 210 O PRO A 16 9.777 -0.115 1.011 1.00 0.00 O ATOM 211 CB PRO A 16 6.673 -1.057 2.340 1.00 0.00 C ATOM 212 CG PRO A 16 5.961 -0.083 1.467 1.00 0.00 C ATOM 213 CD PRO A 16 6.416 1.280 1.910 1.00 0.00 C ATOM 0 HA PRO A 16 8.426 -0.636 3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.795 -2.019 1.842 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.119 -1.242 3.260 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.201 -0.252 0.417 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.881 -0.186 1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.455 1.981 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.743 1.706 2.654 1.00 0.00 H new ATOM 221 N GLY A 17 9.191 -2.225 1.527 1.00 0.00 N ATOM 222 CA GLY A 17 10.162 -2.809 0.620 1.00 0.00 C ATOM 223 C GLY A 17 9.785 -4.214 0.193 1.00 0.00 C ATOM 224 O GLY A 17 8.607 -4.518 0.004 1.00 0.00 O ATOM 0 H GLY A 17 8.626 -2.900 2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.256 -2.177 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.139 -2.829 1.103 1.00 0.00 H new ATOM 228 N ASP A 18 10.787 -5.073 0.040 1.00 0.00 N ATOM 229 CA ASP A 18 10.555 -6.453 -0.368 1.00 0.00 C ATOM 230 C ASP A 18 10.071 -7.294 0.810 1.00 0.00 C ATOM 231 O ASP A 18 10.840 -7.608 1.719 1.00 0.00 O ATOM 232 CB ASP A 18 11.833 -7.057 -0.950 1.00 0.00 C ATOM 233 CG ASP A 18 13.077 -6.604 -0.211 1.00 0.00 C ATOM 234 OD1 ASP A 18 13.225 -6.963 0.975 1.00 0.00 O ATOM 235 OD2 ASP A 18 13.901 -5.889 -0.819 1.00 0.00 O ATOM 0 H ASP A 18 11.768 -4.838 0.192 1.00 0.00 H new ATOM 0 HA ASP A 18 9.780 -6.454 -1.135 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.767 -8.144 -0.912 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.917 -6.779 -2.001 1.00 0.00 H new ATOM 240 N LEU A 19 8.793 -7.654 0.787 1.00 0.00 N ATOM 241 CA LEU A 19 8.205 -8.458 1.854 1.00 0.00 C ATOM 242 C LEU A 19 7.665 -9.776 1.308 1.00 0.00 C ATOM 243 O LEU A 19 7.378 -9.897 0.116 1.00 0.00 O ATOM 244 CB LEU A 19 7.084 -7.681 2.546 1.00 0.00 C ATOM 245 CG LEU A 19 7.521 -6.690 3.625 1.00 0.00 C ATOM 246 CD1 LEU A 19 8.211 -5.489 2.999 1.00 0.00 C ATOM 247 CD2 LEU A 19 6.327 -6.247 4.458 1.00 0.00 C ATOM 0 H LEU A 19 8.144 -7.402 0.042 1.00 0.00 H new ATOM 0 HA LEU A 19 8.986 -8.680 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.524 -7.136 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.397 -8.397 2.996 1.00 0.00 H new ATOM 0 HG LEU A 19 8.232 -7.190 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.515 -4.795 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.091 -5.821 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.523 -4.989 2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.657 -5.542 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.592 -5.766 3.813 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.876 -7.116 4.938 1.00 0.00 H new ATOM 259 N THR A 20 7.526 -10.762 2.188 1.00 0.00 N ATOM 260 CA THR A 20 7.018 -12.071 1.795 1.00 0.00 C ATOM 261 C THR A 20 5.835 -12.485 2.662 1.00 0.00 C ATOM 262 O THR A 20 5.917 -12.469 3.891 1.00 0.00 O ATOM 263 CB THR A 20 8.113 -13.150 1.892 1.00 0.00 C ATOM 264 OG1 THR A 20 9.284 -12.725 1.186 1.00 0.00 O ATOM 265 CG2 THR A 20 7.622 -14.472 1.322 1.00 0.00 C ATOM 0 H THR A 20 7.758 -10.679 3.178 1.00 0.00 H new ATOM 0 HA THR A 20 6.692 -11.985 0.758 1.00 0.00 H new ATOM 0 HB THR A 20 8.357 -13.295 2.944 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.976 -13.416 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 20 8.412 -15.218 1.401 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.749 -14.807 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.353 -14.339 0.274 1.00 0.00 H new ATOM 273 N VAL A 21 4.734 -12.855 2.015 1.00 0.00 N ATOM 274 CA VAL A 21 3.533 -13.276 2.728 1.00 0.00 C ATOM 275 C VAL A 21 2.943 -14.539 2.112 1.00 0.00 C ATOM 276 O VAL A 21 2.547 -14.547 0.947 1.00 0.00 O ATOM 277 CB VAL A 21 2.463 -12.168 2.725 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.152 -12.691 3.293 1.00 0.00 C ATOM 279 CG2 VAL A 21 2.947 -10.957 3.508 1.00 0.00 C ATOM 0 H VAL A 21 4.649 -12.872 0.999 1.00 0.00 H new ATOM 0 HA VAL A 21 3.830 -13.482 3.756 1.00 0.00 H new ATOM 0 HB VAL A 21 2.288 -11.859 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.408 -11.895 3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.799 -13.525 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.308 -13.029 4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.178 -10.184 3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.152 -11.248 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.858 -10.570 3.052 1.00 0.00 H new ATOM 289 N GLN A 22 2.888 -15.606 2.904 1.00 0.00 N ATOM 290 CA GLN A 22 2.346 -16.876 2.436 1.00 0.00 C ATOM 291 C GLN A 22 0.868 -16.741 2.084 1.00 0.00 C ATOM 292 O GLN A 22 0.060 -16.318 2.910 1.00 0.00 O ATOM 293 CB GLN A 22 2.531 -17.957 3.502 1.00 0.00 C ATOM 294 CG GLN A 22 2.290 -19.367 2.987 1.00 0.00 C ATOM 295 CD GLN A 22 2.343 -20.408 4.088 1.00 0.00 C ATOM 296 OE1 GLN A 22 2.286 -20.078 5.273 1.00 0.00 O ATOM 297 NE2 GLN A 22 2.454 -21.674 3.701 1.00 0.00 N ATOM 0 H GLN A 22 3.212 -15.616 3.871 1.00 0.00 H new ATOM 0 HA GLN A 22 2.890 -17.165 1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.543 -17.893 3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.849 -17.760 4.330 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.317 -19.410 2.498 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.037 -19.606 2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.498 -21.902 2.708 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.495 -22.418 4.397 1.00 0.00 H new ATOM 306 N GLU A 23 0.522 -17.102 0.852 1.00 0.00 N ATOM 307 CA GLU A 23 -0.859 -17.019 0.392 1.00 0.00 C ATOM 308 C GLU A 23 -1.830 -17.355 1.520 1.00 0.00 C ATOM 309 O GLU A 23 -1.561 -18.225 2.347 1.00 0.00 O ATOM 310 CB GLU A 23 -1.084 -17.967 -0.788 1.00 0.00 C ATOM 311 CG GLU A 23 -2.435 -17.791 -1.461 1.00 0.00 C ATOM 312 CD GLU A 23 -2.679 -18.813 -2.555 1.00 0.00 C ATOM 313 OE1 GLU A 23 -1.850 -18.895 -3.485 1.00 0.00 O ATOM 314 OE2 GLU A 23 -3.699 -19.529 -2.481 1.00 0.00 O ATOM 0 H GLU A 23 1.179 -17.454 0.155 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.046 -15.995 0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.297 -17.809 -1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.992 -18.996 -0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.223 -17.871 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.498 -16.789 -1.885 1.00 0.00 H new ATOM 321 N GLY A 24 -2.960 -16.656 1.548 1.00 0.00 N ATOM 322 CA GLY A 24 -3.954 -16.892 2.579 1.00 0.00 C ATOM 323 C GLY A 24 -3.542 -16.326 3.923 1.00 0.00 C ATOM 324 O GLY A 24 -3.977 -16.807 4.969 1.00 0.00 O ATOM 0 H GLY A 24 -3.205 -15.930 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.901 -16.446 2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.124 -17.964 2.677 1.00 0.00 H new ATOM 328 N LYS A 25 -2.697 -15.300 3.896 1.00 0.00 N ATOM 329 CA LYS A 25 -2.225 -14.666 5.121 1.00 0.00 C ATOM 330 C LYS A 25 -2.584 -13.184 5.141 1.00 0.00 C ATOM 331 O LYS A 25 -3.057 -12.636 4.144 1.00 0.00 O ATOM 332 CB LYS A 25 -0.710 -14.836 5.256 1.00 0.00 C ATOM 333 CG LYS A 25 -0.288 -16.243 5.643 1.00 0.00 C ATOM 334 CD LYS A 25 -0.419 -16.474 7.139 1.00 0.00 C ATOM 335 CE LYS A 25 0.128 -17.834 7.544 1.00 0.00 C ATOM 336 NZ LYS A 25 1.603 -17.801 7.745 1.00 0.00 N ATOM 0 H LYS A 25 -2.325 -14.890 3.039 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.716 -15.152 5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.237 -14.571 4.310 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.339 -14.136 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.901 -16.968 5.107 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.745 -16.411 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.115 -15.691 7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.467 -16.401 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.357 -18.161 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.118 -18.568 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.937 -18.747 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.068 -17.513 6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.836 -17.120 8.495 1.00 0.00 H new ATOM 350 N LEU A 26 -2.355 -12.539 6.280 1.00 0.00 N ATOM 351 CA LEU A 26 -2.653 -11.119 6.428 1.00 0.00 C ATOM 352 C LEU A 26 -1.517 -10.263 5.875 1.00 0.00 C ATOM 353 O LEU A 26 -0.353 -10.458 6.225 1.00 0.00 O ATOM 354 CB LEU A 26 -2.893 -10.779 7.900 1.00 0.00 C ATOM 355 CG LEU A 26 -3.259 -9.325 8.202 1.00 0.00 C ATOM 356 CD1 LEU A 26 -2.017 -8.448 8.187 1.00 0.00 C ATOM 357 CD2 LEU A 26 -4.287 -8.815 7.203 1.00 0.00 C ATOM 0 H LEU A 26 -1.964 -12.977 7.114 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.557 -10.902 5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.692 -11.419 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.993 -11.030 8.462 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.698 -9.280 9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.297 -7.417 8.404 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.314 -8.800 8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.548 -8.498 7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.535 -7.779 7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.876 -8.874 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.188 -9.426 7.264 1.00 0.00 H new ATOM 369 N CYS A 27 -1.864 -9.315 5.012 1.00 0.00 N ATOM 370 CA CYS A 27 -0.874 -8.428 4.412 1.00 0.00 C ATOM 371 C CYS A 27 -1.167 -6.972 4.758 1.00 0.00 C ATOM 372 O CYS A 27 -2.268 -6.475 4.517 1.00 0.00 O ATOM 373 CB CYS A 27 -0.851 -8.609 2.893 1.00 0.00 C ATOM 374 SG CYS A 27 0.250 -7.464 2.030 1.00 0.00 S ATOM 0 H CYS A 27 -2.823 -9.141 4.712 1.00 0.00 H new ATOM 0 HA CYS A 27 0.104 -8.689 4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.547 -9.630 2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.863 -8.483 2.508 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.005 -6.247 2.410 1.00 0.00 H new ATOM 380 N ARG A 28 -0.176 -6.293 5.327 1.00 0.00 N ATOM 381 CA ARG A 28 -0.329 -4.895 5.710 1.00 0.00 C ATOM 382 C ARG A 28 0.907 -4.087 5.322 1.00 0.00 C ATOM 383 O ARG A 28 2.037 -4.544 5.493 1.00 0.00 O ATOM 384 CB ARG A 28 -0.575 -4.780 7.215 1.00 0.00 C ATOM 385 CG ARG A 28 -0.260 -3.405 7.781 1.00 0.00 C ATOM 386 CD ARG A 28 -1.014 -3.149 9.076 1.00 0.00 C ATOM 387 NE ARG A 28 -1.005 -1.736 9.445 1.00 0.00 N ATOM 388 CZ ARG A 28 -1.773 -1.220 10.398 1.00 0.00 C ATOM 389 NH1 ARG A 28 -2.606 -1.997 11.076 1.00 0.00 N ATOM 390 NH2 ARG A 28 -1.707 0.076 10.676 1.00 0.00 N ATOM 0 H ARG A 28 0.741 -6.689 5.533 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.189 -4.490 5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.618 -5.019 7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.032 -5.524 7.732 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.812 -3.321 7.960 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.522 -2.641 7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.044 -3.489 8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.566 -3.736 9.878 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.374 -1.111 8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.658 -2.994 10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.195 -1.598 11.807 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.066 0.677 10.158 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.297 0.471 11.408 1.00 0.00 H new ATOM 404 N MET A 29 0.682 -2.886 4.800 1.00 0.00 N ATOM 405 CA MET A 29 1.777 -2.015 4.390 1.00 0.00 C ATOM 406 C MET A 29 1.659 -0.645 5.050 1.00 0.00 C ATOM 407 O MET A 29 0.591 -0.032 5.044 1.00 0.00 O ATOM 408 CB MET A 29 1.791 -1.861 2.868 1.00 0.00 C ATOM 409 CG MET A 29 2.171 -3.135 2.131 1.00 0.00 C ATOM 410 SD MET A 29 0.743 -4.165 1.742 1.00 0.00 S ATOM 411 CE MET A 29 0.813 -4.177 -0.048 1.00 0.00 C ATOM 0 H MET A 29 -0.248 -2.494 4.651 1.00 0.00 H new ATOM 0 HA MET A 29 2.712 -2.473 4.711 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.804 -1.539 2.535 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.492 -1.072 2.597 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.689 -2.875 1.208 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.872 -3.707 2.739 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.107 -4.605 -0.445 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.926 -3.157 -0.415 1.00 0.00 H new ATOM 0 HE3 MET A 29 1.663 -4.777 -0.375 1.00 0.00 H new ATOM 421 N ASP A 30 2.762 -0.170 5.618 1.00 0.00 N ATOM 422 CA ASP A 30 2.782 1.128 6.282 1.00 0.00 C ATOM 423 C ASP A 30 3.664 2.114 5.522 1.00 0.00 C ATOM 424 O ASP A 30 4.818 1.817 5.212 1.00 0.00 O ATOM 425 CB ASP A 30 3.281 0.982 7.721 1.00 0.00 C ATOM 426 CG ASP A 30 2.581 -0.138 8.466 1.00 0.00 C ATOM 427 OD1 ASP A 30 1.338 -0.088 8.579 1.00 0.00 O ATOM 428 OD2 ASP A 30 3.275 -1.063 8.934 1.00 0.00 O ATOM 0 H ASP A 30 3.654 -0.665 5.632 1.00 0.00 H new ATOM 0 HA ASP A 30 1.764 1.516 6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.355 0.793 7.713 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.126 1.921 8.253 1.00 0.00 H new ATOM 433 N CYS A 31 3.113 3.285 5.225 1.00 0.00 N ATOM 434 CA CYS A 31 3.849 4.314 4.499 1.00 0.00 C ATOM 435 C CYS A 31 3.427 5.707 4.953 1.00 0.00 C ATOM 436 O CYS A 31 2.237 6.014 5.028 1.00 0.00 O ATOM 437 CB CYS A 31 3.624 4.166 2.993 1.00 0.00 C ATOM 438 SG CYS A 31 1.967 4.639 2.445 1.00 0.00 S ATOM 0 H CYS A 31 2.159 3.546 5.475 1.00 0.00 H new ATOM 0 HA CYS A 31 4.910 4.187 4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.358 4.775 2.465 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.807 3.130 2.709 1.00 0.00 H new ATOM 0 HG CYS A 31 1.429 5.432 3.324 1.00 0.00 H new ATOM 444 N LYS A 32 4.410 6.548 5.258 1.00 0.00 N ATOM 445 CA LYS A 32 4.142 7.909 5.706 1.00 0.00 C ATOM 446 C LYS A 32 4.465 8.917 4.607 1.00 0.00 C ATOM 447 O LYS A 32 5.480 8.798 3.921 1.00 0.00 O ATOM 448 CB LYS A 32 4.961 8.226 6.959 1.00 0.00 C ATOM 449 CG LYS A 32 4.568 9.531 7.629 1.00 0.00 C ATOM 450 CD LYS A 32 5.525 9.891 8.754 1.00 0.00 C ATOM 451 CE LYS A 32 5.527 11.387 9.026 1.00 0.00 C ATOM 452 NZ LYS A 32 6.785 11.828 9.690 1.00 0.00 N ATOM 0 H LYS A 32 5.400 6.310 5.203 1.00 0.00 H new ATOM 0 HA LYS A 32 3.081 7.984 5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.846 7.411 7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.017 8.268 6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.557 10.332 6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.556 9.448 8.024 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.241 9.356 9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.532 9.566 8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.403 11.927 8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.675 11.643 9.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.748 12.854 9.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.891 11.332 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.596 11.607 9.078 1.00 0.00 H new ATOM 466 N VAL A 33 3.595 9.909 4.447 1.00 0.00 N ATOM 467 CA VAL A 33 3.789 10.940 3.434 1.00 0.00 C ATOM 468 C VAL A 33 3.560 12.331 4.014 1.00 0.00 C ATOM 469 O VAL A 33 2.551 12.582 4.672 1.00 0.00 O ATOM 470 CB VAL A 33 2.843 10.733 2.236 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.392 10.872 2.671 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.171 11.717 1.123 1.00 0.00 C ATOM 0 H VAL A 33 2.749 10.021 5.006 1.00 0.00 H new ATOM 0 HA VAL A 33 4.821 10.858 3.092 1.00 0.00 H new ATOM 0 HB VAL A 33 2.987 9.723 1.852 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.739 10.723 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.167 10.125 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.229 11.868 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.493 11.557 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.056 12.736 1.493 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.199 11.564 0.793 1.00 0.00 H new ATOM 482 N SER A 34 4.505 13.232 3.764 1.00 0.00 N ATOM 483 CA SER A 34 4.408 14.599 4.264 1.00 0.00 C ATOM 484 C SER A 34 3.944 15.548 3.164 1.00 0.00 C ATOM 485 O SER A 34 4.258 15.358 1.990 1.00 0.00 O ATOM 486 CB SER A 34 5.760 15.059 4.814 1.00 0.00 C ATOM 487 OG SER A 34 5.732 16.436 5.148 1.00 0.00 O ATOM 0 H SER A 34 5.346 13.040 3.219 1.00 0.00 H new ATOM 0 HA SER A 34 3.672 14.615 5.068 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.016 14.473 5.696 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.539 14.877 4.073 1.00 0.00 H new ATOM 0 HG SER A 34 6.607 16.705 5.499 1.00 0.00 H new ATOM 493 N GLY A 35 3.191 16.573 3.554 1.00 0.00 N ATOM 494 CA GLY A 35 2.694 17.538 2.591 1.00 0.00 C ATOM 495 C GLY A 35 1.475 18.285 3.094 1.00 0.00 C ATOM 496 O GLY A 35 0.739 17.785 3.946 1.00 0.00 O ATOM 0 H GLY A 35 2.917 16.752 4.520 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.483 18.253 2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.444 17.024 1.663 1.00 0.00 H new ATOM 500 N LEU A 36 1.260 19.485 2.568 1.00 0.00 N ATOM 501 CA LEU A 36 0.122 20.304 2.971 1.00 0.00 C ATOM 502 C LEU A 36 -0.442 21.075 1.781 1.00 0.00 C ATOM 503 O LEU A 36 0.266 21.812 1.096 1.00 0.00 O ATOM 504 CB LEU A 36 0.535 21.279 4.075 1.00 0.00 C ATOM 505 CG LEU A 36 0.367 20.778 5.510 1.00 0.00 C ATOM 506 CD1 LEU A 36 1.631 20.076 5.981 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.017 21.930 6.440 1.00 0.00 C ATOM 0 H LEU A 36 1.858 19.913 1.861 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.654 19.641 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.581 21.545 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.046 22.194 3.960 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.453 20.060 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.493 19.726 7.004 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.838 19.226 5.332 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.469 20.772 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.099 21.555 7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.815 22.672 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.916 22.390 6.115 1.00 0.00 H new ATOM 519 N PRO A 37 -1.749 20.903 1.530 1.00 0.00 N ATOM 520 CA PRO A 37 -2.602 20.027 2.339 1.00 0.00 C ATOM 521 C PRO A 37 -2.269 18.552 2.142 1.00 0.00 C ATOM 522 O PRO A 37 -1.348 18.205 1.403 1.00 0.00 O ATOM 523 CB PRO A 37 -4.011 20.331 1.825 1.00 0.00 C ATOM 524 CG PRO A 37 -3.809 20.821 0.433 1.00 0.00 C ATOM 525 CD PRO A 37 -2.494 21.550 0.437 1.00 0.00 C ATOM 0 HA PRO A 37 -2.475 20.207 3.407 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.640 19.441 1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.504 21.083 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.793 19.992 -0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.621 21.482 0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.976 21.450 -0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.626 22.617 0.617 1.00 0.00 H new ATOM 533 N THR A 38 -3.026 17.685 2.809 1.00 0.00 N ATOM 534 CA THR A 38 -2.812 16.247 2.708 1.00 0.00 C ATOM 535 C THR A 38 -2.612 15.822 1.258 1.00 0.00 C ATOM 536 O THR A 38 -3.422 16.119 0.381 1.00 0.00 O ATOM 537 CB THR A 38 -3.994 15.460 3.304 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.244 15.892 4.645 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.709 13.965 3.292 1.00 0.00 C ATOM 0 H THR A 38 -3.793 17.955 3.425 1.00 0.00 H new ATOM 0 HA THR A 38 -1.911 16.020 3.278 1.00 0.00 H new ATOM 0 HB THR A 38 -4.875 15.651 2.691 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.998 15.388 5.016 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.558 13.429 3.718 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.548 13.633 2.266 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.817 13.760 3.884 1.00 0.00 H new ATOM 547 N PRO A 39 -1.506 15.108 0.997 1.00 0.00 N ATOM 548 CA PRO A 39 -1.175 14.625 -0.347 1.00 0.00 C ATOM 549 C PRO A 39 -2.117 13.521 -0.815 1.00 0.00 C ATOM 550 O PRO A 39 -2.265 12.495 -0.150 1.00 0.00 O ATOM 551 CB PRO A 39 0.248 14.082 -0.187 1.00 0.00 C ATOM 552 CG PRO A 39 0.357 13.723 1.254 1.00 0.00 C ATOM 553 CD PRO A 39 -0.496 14.716 1.994 1.00 0.00 C ATOM 0 HA PRO A 39 -1.265 15.411 -1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.414 13.214 -0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.991 14.830 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.011 12.704 1.430 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.393 13.771 1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.955 14.272 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.087 15.572 2.334 1.00 0.00 H new ATOM 561 N ASP A 40 -2.751 13.738 -1.962 1.00 0.00 N ATOM 562 CA ASP A 40 -3.678 12.760 -2.520 1.00 0.00 C ATOM 563 C ASP A 40 -2.927 11.670 -3.277 1.00 0.00 C ATOM 564 O ASP A 40 -2.442 11.892 -4.388 1.00 0.00 O ATOM 565 CB ASP A 40 -4.679 13.447 -3.450 1.00 0.00 C ATOM 566 CG ASP A 40 -5.815 14.106 -2.692 1.00 0.00 C ATOM 567 OD1 ASP A 40 -6.317 13.494 -1.725 1.00 0.00 O ATOM 568 OD2 ASP A 40 -6.202 15.233 -3.065 1.00 0.00 O ATOM 0 H ASP A 40 -2.640 14.582 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.219 12.297 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.160 14.198 -4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.087 12.714 -4.145 1.00 0.00 H new ATOM 573 N LEU A 41 -2.833 10.492 -2.670 1.00 0.00 N ATOM 574 CA LEU A 41 -2.140 9.366 -3.287 1.00 0.00 C ATOM 575 C LEU A 41 -3.134 8.345 -3.829 1.00 0.00 C ATOM 576 O LEU A 41 -4.251 8.223 -3.325 1.00 0.00 O ATOM 577 CB LEU A 41 -1.207 8.699 -2.274 1.00 0.00 C ATOM 578 CG LEU A 41 -1.862 8.202 -0.984 1.00 0.00 C ATOM 579 CD1 LEU A 41 -1.081 7.034 -0.405 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.968 9.332 0.030 1.00 0.00 C ATOM 0 H LEU A 41 -3.228 10.292 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.549 9.747 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.721 7.853 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.423 9.409 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.869 7.857 -1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.562 6.694 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.058 6.218 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.062 7.351 -0.184 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.436 8.960 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.971 9.708 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.572 10.138 -0.386 1.00 0.00 H new ATOM 592 N SER A 42 -2.720 7.611 -4.857 1.00 0.00 N ATOM 593 CA SER A 42 -3.576 6.601 -5.468 1.00 0.00 C ATOM 594 C SER A 42 -2.791 5.323 -5.749 1.00 0.00 C ATOM 595 O SER A 42 -1.769 5.347 -6.434 1.00 0.00 O ATOM 596 CB SER A 42 -4.184 7.135 -6.767 1.00 0.00 C ATOM 597 OG SER A 42 -3.293 6.963 -7.855 1.00 0.00 O ATOM 0 H SER A 42 -1.798 7.697 -5.284 1.00 0.00 H new ATOM 0 HA SER A 42 -4.379 6.368 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.120 6.617 -6.974 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.424 8.192 -6.653 1.00 0.00 H new ATOM 0 HG SER A 42 -2.445 6.597 -7.528 1.00 0.00 H new ATOM 603 N TRP A 43 -3.278 4.208 -5.215 1.00 0.00 N ATOM 604 CA TRP A 43 -2.622 2.919 -5.407 1.00 0.00 C ATOM 605 C TRP A 43 -2.813 2.420 -6.835 1.00 0.00 C ATOM 606 O TRP A 43 -3.874 2.608 -7.431 1.00 0.00 O ATOM 607 CB TRP A 43 -3.172 1.892 -4.416 1.00 0.00 C ATOM 608 CG TRP A 43 -2.753 2.149 -3.001 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.338 3.009 -2.116 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.657 1.542 -2.308 1.00 0.00 C ATOM 611 NE1 TRP A 43 -2.672 2.974 -0.915 1.00 0.00 N ATOM 612 CE2 TRP A 43 -1.637 2.081 -1.006 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.692 0.595 -2.659 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -0.690 1.703 -0.059 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.249 0.221 -1.718 1.00 0.00 C ATOM 616 CH2 TRP A 43 0.244 0.774 -0.430 1.00 0.00 C ATOM 0 H TRP A 43 -4.124 4.170 -4.646 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.555 3.051 -5.228 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.261 1.892 -4.471 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.838 0.897 -4.711 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.198 3.626 -2.329 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -2.910 3.524 -0.089 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.681 0.162 -3.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.692 2.128 0.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.000 -0.509 -1.980 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.992 0.461 0.284 1.00 0.00 H new ATOM 627 N GLN A 44 -1.781 1.783 -7.378 1.00 0.00 N ATOM 628 CA GLN A 44 -1.836 1.257 -8.736 1.00 0.00 C ATOM 629 C GLN A 44 -1.142 -0.098 -8.824 1.00 0.00 C ATOM 630 O GLN A 44 0.030 -0.231 -8.471 1.00 0.00 O ATOM 631 CB GLN A 44 -1.188 2.240 -9.713 1.00 0.00 C ATOM 632 CG GLN A 44 -1.803 3.629 -9.676 1.00 0.00 C ATOM 633 CD GLN A 44 -2.994 3.766 -10.603 1.00 0.00 C ATOM 634 OE1 GLN A 44 -3.338 2.835 -11.332 1.00 0.00 O ATOM 635 NE2 GLN A 44 -3.632 4.931 -10.581 1.00 0.00 N ATOM 0 H GLN A 44 -0.896 1.619 -6.898 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.884 1.126 -9.005 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.125 2.316 -9.487 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.271 1.842 -10.724 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.113 3.858 -8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.047 4.364 -9.951 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.313 5.676 -9.961 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.441 5.081 -11.184 1.00 0.00 H new ATOM 644 N LEU A 45 -1.872 -1.102 -9.298 1.00 0.00 N ATOM 645 CA LEU A 45 -1.327 -2.448 -9.432 1.00 0.00 C ATOM 646 C LEU A 45 -1.271 -2.869 -10.897 1.00 0.00 C ATOM 647 O LEU A 45 -2.172 -2.562 -11.677 1.00 0.00 O ATOM 648 CB LEU A 45 -2.172 -3.444 -8.636 1.00 0.00 C ATOM 649 CG LEU A 45 -1.540 -4.814 -8.389 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.216 -4.667 -7.655 1.00 0.00 C ATOM 651 CD2 LEU A 45 -2.490 -5.707 -7.605 1.00 0.00 C ATOM 0 H LEU A 45 -2.843 -1.009 -9.596 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.312 -2.443 -9.035 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.411 -2.997 -7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.115 -3.591 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.347 -5.282 -9.354 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.219 -5.652 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.467 -4.066 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.384 -4.177 -6.696 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.023 -6.678 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.716 -5.244 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.413 -5.840 -8.169 1.00 0.00 H new ATOM 663 N ASP A 46 -0.207 -3.576 -11.264 1.00 0.00 N ATOM 664 CA ASP A 46 -0.034 -4.042 -12.635 1.00 0.00 C ATOM 665 C ASP A 46 -0.315 -2.920 -13.630 1.00 0.00 C ATOM 666 O ASP A 46 -0.776 -3.166 -14.744 1.00 0.00 O ATOM 667 CB ASP A 46 -0.958 -5.229 -12.912 1.00 0.00 C ATOM 668 CG ASP A 46 -2.420 -4.887 -12.701 1.00 0.00 C ATOM 669 OD1 ASP A 46 -2.945 -4.037 -13.451 1.00 0.00 O ATOM 670 OD2 ASP A 46 -3.039 -5.470 -11.787 1.00 0.00 O ATOM 0 H ASP A 46 0.548 -3.839 -10.631 1.00 0.00 H new ATOM 0 HA ASP A 46 1.001 -4.360 -12.757 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.812 -5.568 -13.938 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.684 -6.059 -12.260 1.00 0.00 H new ATOM 675 N GLY A 47 -0.033 -1.687 -13.219 1.00 0.00 N ATOM 676 CA GLY A 47 -0.263 -0.546 -14.086 1.00 0.00 C ATOM 677 C GLY A 47 -1.732 -0.196 -14.206 1.00 0.00 C ATOM 678 O GLY A 47 -2.172 0.328 -15.230 1.00 0.00 O ATOM 0 H GLY A 47 0.350 -1.458 -12.302 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.282 0.315 -13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.139 -0.760 -15.077 1.00 0.00 H new ATOM 682 N LYS A 48 -2.496 -0.486 -13.158 1.00 0.00 N ATOM 683 CA LYS A 48 -3.925 -0.199 -13.149 1.00 0.00 C ATOM 684 C LYS A 48 -4.366 0.328 -11.788 1.00 0.00 C ATOM 685 O LYS A 48 -3.791 -0.004 -10.751 1.00 0.00 O ATOM 686 CB LYS A 48 -4.721 -1.457 -13.503 1.00 0.00 C ATOM 687 CG LYS A 48 -4.458 -1.969 -14.908 1.00 0.00 C ATOM 688 CD LYS A 48 -5.473 -3.023 -15.318 1.00 0.00 C ATOM 689 CE LYS A 48 -6.733 -2.391 -15.889 1.00 0.00 C ATOM 690 NZ LYS A 48 -6.494 -1.794 -17.232 1.00 0.00 N ATOM 0 H LYS A 48 -2.148 -0.920 -12.303 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.120 0.570 -13.897 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.479 -2.243 -12.788 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.785 -1.245 -13.396 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.492 -1.137 -15.611 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.454 -2.390 -14.961 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.030 -3.687 -16.060 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.731 -3.636 -14.455 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.517 -3.145 -15.961 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.094 -1.620 -15.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.402 -1.667 -17.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.027 -0.871 -17.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.886 -2.427 -17.790 1.00 0.00 H new ATOM 704 N PRO A 49 -5.412 1.169 -11.787 1.00 0.00 N ATOM 705 CA PRO A 49 -5.954 1.758 -10.559 1.00 0.00 C ATOM 706 C PRO A 49 -6.657 0.727 -9.684 1.00 0.00 C ATOM 707 O PRO A 49 -7.787 0.326 -9.964 1.00 0.00 O ATOM 708 CB PRO A 49 -6.955 2.794 -11.075 1.00 0.00 C ATOM 709 CG PRO A 49 -7.357 2.296 -12.420 1.00 0.00 C ATOM 710 CD PRO A 49 -6.145 1.608 -12.986 1.00 0.00 C ATOM 0 HA PRO A 49 -5.171 2.179 -9.928 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.815 2.878 -10.411 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.503 3.784 -11.138 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.198 1.607 -12.346 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -7.674 3.118 -13.062 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.421 0.765 -13.620 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.548 2.284 -13.597 1.00 0.00 H new ATOM 718 N VAL A 50 -5.983 0.301 -8.620 1.00 0.00 N ATOM 719 CA VAL A 50 -6.544 -0.683 -7.702 1.00 0.00 C ATOM 720 C VAL A 50 -7.619 -0.059 -6.819 1.00 0.00 C ATOM 721 O VAL A 50 -7.482 1.077 -6.365 1.00 0.00 O ATOM 722 CB VAL A 50 -5.454 -1.301 -6.806 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.766 -0.223 -5.982 1.00 0.00 C ATOM 724 CG2 VAL A 50 -6.049 -2.373 -5.906 1.00 0.00 C ATOM 0 H VAL A 50 -5.047 0.622 -8.373 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.989 -1.468 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.705 -1.770 -7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.999 -0.678 -5.355 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.305 0.506 -6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.501 0.277 -5.351 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.265 -2.799 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.819 -1.931 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.491 -3.159 -6.519 1.00 0.00 H new ATOM 734 N ARG A 51 -8.689 -0.810 -6.579 1.00 0.00 N ATOM 735 CA ARG A 51 -9.788 -0.331 -5.750 1.00 0.00 C ATOM 736 C ARG A 51 -9.993 -1.238 -4.541 1.00 0.00 C ATOM 737 O ARG A 51 -9.793 -2.451 -4.603 1.00 0.00 O ATOM 738 CB ARG A 51 -11.078 -0.257 -6.570 1.00 0.00 C ATOM 739 CG ARG A 51 -11.030 0.771 -7.689 1.00 0.00 C ATOM 740 CD ARG A 51 -11.407 2.157 -7.190 1.00 0.00 C ATOM 741 NE ARG A 51 -11.966 2.988 -8.252 1.00 0.00 N ATOM 742 CZ ARG A 51 -11.229 3.588 -9.181 1.00 0.00 C ATOM 743 NH1 ARG A 51 -9.910 3.448 -9.178 1.00 0.00 N ATOM 744 NH2 ARG A 51 -11.811 4.328 -10.115 1.00 0.00 N ATOM 0 H ARG A 51 -8.818 -1.753 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.533 0.667 -5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.283 -1.238 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.908 -0.019 -5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.028 0.798 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.710 0.473 -8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.132 2.066 -6.381 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.525 2.645 -6.774 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.978 3.115 -8.283 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.459 2.879 -8.462 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.347 3.909 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.825 4.437 -10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.244 4.788 -10.828 1.00 0.00 H new ATOM 758 N PRO A 52 -10.401 -0.638 -3.413 1.00 0.00 N ATOM 759 CA PRO A 52 -10.642 -1.373 -2.167 1.00 0.00 C ATOM 760 C PRO A 52 -11.873 -2.269 -2.252 1.00 0.00 C ATOM 761 O PRO A 52 -12.958 -1.817 -2.619 1.00 0.00 O ATOM 762 CB PRO A 52 -10.859 -0.263 -1.136 1.00 0.00 C ATOM 763 CG PRO A 52 -11.342 0.902 -1.930 1.00 0.00 C ATOM 764 CD PRO A 52 -10.660 0.804 -3.266 1.00 0.00 C ATOM 0 HA PRO A 52 -9.818 -2.044 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.589 -0.559 -0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.935 -0.027 -0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.426 0.875 -2.042 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.096 1.841 -1.434 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.293 1.182 -4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.736 1.382 -3.289 1.00 0.00 H new ATOM 772 N ASP A 53 -11.698 -3.541 -1.910 1.00 0.00 N ATOM 773 CA ASP A 53 -12.795 -4.501 -1.946 1.00 0.00 C ATOM 774 C ASP A 53 -12.922 -5.232 -0.613 1.00 0.00 C ATOM 775 O ASP A 53 -12.165 -4.973 0.323 1.00 0.00 O ATOM 776 CB ASP A 53 -12.583 -5.509 -3.076 1.00 0.00 C ATOM 777 CG ASP A 53 -13.881 -6.134 -3.546 1.00 0.00 C ATOM 778 OD1 ASP A 53 -14.903 -5.417 -3.589 1.00 0.00 O ATOM 779 OD2 ASP A 53 -13.877 -7.340 -3.870 1.00 0.00 O ATOM 0 H ASP A 53 -10.806 -3.931 -1.605 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.719 -3.952 -2.128 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.098 -5.012 -3.916 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.907 -6.294 -2.736 1.00 0.00 H new ATOM 784 N SER A 54 -13.884 -6.145 -0.533 1.00 0.00 N ATOM 785 CA SER A 54 -14.113 -6.910 0.687 1.00 0.00 C ATOM 786 C SER A 54 -12.792 -7.381 1.289 1.00 0.00 C ATOM 787 O SER A 54 -12.663 -7.507 2.506 1.00 0.00 O ATOM 788 CB SER A 54 -15.012 -8.114 0.398 1.00 0.00 C ATOM 789 OG SER A 54 -15.367 -8.784 1.595 1.00 0.00 O ATOM 0 H SER A 54 -14.518 -6.373 -1.299 1.00 0.00 H new ATOM 0 HA SER A 54 -14.609 -6.259 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.913 -7.783 -0.118 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.497 -8.804 -0.270 1.00 0.00 H new ATOM 0 HG SER A 54 -15.943 -9.548 1.384 1.00 0.00 H new ATOM 795 N ALA A 55 -11.815 -7.638 0.426 1.00 0.00 N ATOM 796 CA ALA A 55 -10.503 -8.092 0.872 1.00 0.00 C ATOM 797 C ALA A 55 -9.516 -6.932 0.946 1.00 0.00 C ATOM 798 O ALA A 55 -8.888 -6.703 1.980 1.00 0.00 O ATOM 799 CB ALA A 55 -9.977 -9.177 -0.057 1.00 0.00 C ATOM 0 H ALA A 55 -11.907 -7.540 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.611 -8.507 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.997 -9.507 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.665 -10.022 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.891 -8.780 -1.068 1.00 0.00 H new ATOM 805 N HIS A 56 -9.383 -6.203 -0.158 1.00 0.00 N ATOM 806 CA HIS A 56 -8.471 -5.066 -0.217 1.00 0.00 C ATOM 807 C HIS A 56 -9.086 -3.842 0.454 1.00 0.00 C ATOM 808 O HIS A 56 -10.076 -3.288 -0.025 1.00 0.00 O ATOM 809 CB HIS A 56 -8.120 -4.743 -1.670 1.00 0.00 C ATOM 810 CG HIS A 56 -7.327 -5.818 -2.348 1.00 0.00 C ATOM 811 ND1 HIS A 56 -7.869 -7.029 -2.722 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.027 -5.857 -2.720 1.00 0.00 C ATOM 813 CE1 HIS A 56 -6.935 -7.768 -3.294 1.00 0.00 C ATOM 814 NE2 HIS A 56 -5.808 -7.080 -3.305 1.00 0.00 N ATOM 0 H HIS A 56 -9.895 -6.379 -1.023 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.560 -5.333 0.319 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.041 -4.575 -2.229 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.554 -3.812 -1.700 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.297 -5.073 -2.583 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.070 -8.765 -3.686 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -4.919 -7.404 -3.686 1.00 0.00 H new ATOM 822 N LYS A 57 -8.492 -3.423 1.567 1.00 0.00 N ATOM 823 CA LYS A 57 -8.979 -2.264 2.305 1.00 0.00 C ATOM 824 C LYS A 57 -7.893 -1.200 2.426 1.00 0.00 C ATOM 825 O LYS A 57 -6.737 -1.510 2.711 1.00 0.00 O ATOM 826 CB LYS A 57 -9.455 -2.684 3.698 1.00 0.00 C ATOM 827 CG LYS A 57 -8.335 -3.174 4.601 1.00 0.00 C ATOM 828 CD LYS A 57 -8.838 -4.195 5.608 1.00 0.00 C ATOM 829 CE LYS A 57 -9.589 -3.528 6.750 1.00 0.00 C ATOM 830 NZ LYS A 57 -10.577 -4.450 7.377 1.00 0.00 N ATOM 0 H LYS A 57 -7.672 -3.870 1.977 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.818 -1.840 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.950 -1.838 4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.200 -3.473 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.545 -3.618 3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.895 -2.328 5.128 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.493 -4.909 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.996 -4.760 6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.878 -3.190 7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.104 -2.642 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.068 -3.958 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.271 -4.753 6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.083 -5.283 7.755 1.00 0.00 H new ATOM 844 N MET A 58 -8.274 0.055 2.210 1.00 0.00 N ATOM 845 CA MET A 58 -7.331 1.164 2.298 1.00 0.00 C ATOM 846 C MET A 58 -7.631 2.037 3.512 1.00 0.00 C ATOM 847 O MET A 58 -8.705 2.631 3.613 1.00 0.00 O ATOM 848 CB MET A 58 -7.385 2.009 1.023 1.00 0.00 C ATOM 849 CG MET A 58 -6.482 1.493 -0.086 1.00 0.00 C ATOM 850 SD MET A 58 -7.103 1.895 -1.730 1.00 0.00 S ATOM 851 CE MET A 58 -7.134 0.272 -2.487 1.00 0.00 C ATOM 0 H MET A 58 -9.228 0.329 1.973 1.00 0.00 H new ATOM 0 HA MET A 58 -6.329 0.749 2.409 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.412 2.039 0.660 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.102 3.034 1.264 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.485 1.917 0.035 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.382 0.412 0.006 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.564 0.345 -3.486 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.118 -0.117 -2.556 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.739 -0.401 -1.880 1.00 0.00 H new ATOM 861 N LEU A 59 -6.676 2.109 4.433 1.00 0.00 N ATOM 862 CA LEU A 59 -6.838 2.909 5.642 1.00 0.00 C ATOM 863 C LEU A 59 -6.157 4.266 5.492 1.00 0.00 C ATOM 864 O LEU A 59 -5.062 4.365 4.938 1.00 0.00 O ATOM 865 CB LEU A 59 -6.262 2.167 6.849 1.00 0.00 C ATOM 866 CG LEU A 59 -7.048 0.944 7.323 1.00 0.00 C ATOM 867 CD1 LEU A 59 -6.713 -0.269 6.470 1.00 0.00 C ATOM 868 CD2 LEU A 59 -6.761 0.662 8.791 1.00 0.00 C ATOM 0 H LEU A 59 -5.782 1.623 4.366 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.904 3.073 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.248 1.850 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.186 2.869 7.679 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.112 1.155 7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.282 -1.130 6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.970 -0.065 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.647 -0.483 6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.329 -0.212 9.111 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.696 0.471 8.923 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.052 1.524 9.391 1.00 0.00 H new ATOM 880 N VAL A 60 -6.811 5.309 5.992 1.00 0.00 N ATOM 881 CA VAL A 60 -6.268 6.660 5.917 1.00 0.00 C ATOM 882 C VAL A 60 -6.332 7.354 7.273 1.00 0.00 C ATOM 883 O VAL A 60 -7.407 7.731 7.739 1.00 0.00 O ATOM 884 CB VAL A 60 -7.023 7.512 4.881 1.00 0.00 C ATOM 885 CG1 VAL A 60 -6.503 8.942 4.883 1.00 0.00 C ATOM 886 CG2 VAL A 60 -6.904 6.895 3.496 1.00 0.00 C ATOM 0 H VAL A 60 -7.718 5.244 6.454 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.227 6.566 5.609 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.078 7.534 5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.049 9.529 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.645 9.380 5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.442 8.944 4.635 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.444 7.510 2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.853 6.840 3.211 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.330 5.892 3.507 1.00 0.00 H new ATOM 896 N ARG A 61 -5.172 7.521 7.902 1.00 0.00 N ATOM 897 CA ARG A 61 -5.096 8.169 9.205 1.00 0.00 C ATOM 898 C ARG A 61 -5.147 9.687 9.061 1.00 0.00 C ATOM 899 O ARG A 61 -4.548 10.253 8.147 1.00 0.00 O ATOM 900 CB ARG A 61 -3.813 7.757 9.929 1.00 0.00 C ATOM 901 CG ARG A 61 -3.967 6.504 10.775 1.00 0.00 C ATOM 902 CD ARG A 61 -3.735 5.245 9.954 1.00 0.00 C ATOM 903 NE ARG A 61 -2.327 4.859 9.930 1.00 0.00 N ATOM 904 CZ ARG A 61 -1.662 4.437 11.001 1.00 0.00 C ATOM 905 NH1 ARG A 61 -2.275 4.348 12.173 1.00 0.00 N ATOM 906 NH2 ARG A 61 -0.382 4.103 10.899 1.00 0.00 N ATOM 0 H ARG A 61 -4.273 7.216 7.529 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.956 7.848 9.793 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.027 7.593 9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.486 8.578 10.567 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.260 6.534 11.604 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.966 6.477 11.209 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.328 4.429 10.367 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.084 5.408 8.934 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.826 4.916 9.043 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.259 4.604 12.255 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.763 4.024 12.993 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.092 4.170 9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.128 3.779 11.721 1.00 0.00 H new ATOM 920 N GLU A 62 -5.866 10.339 9.969 1.00 0.00 N ATOM 921 CA GLU A 62 -5.995 11.792 9.941 1.00 0.00 C ATOM 922 C GLU A 62 -4.630 12.457 9.795 1.00 0.00 C ATOM 923 O GLU A 62 -4.395 13.218 8.858 1.00 0.00 O ATOM 924 CB GLU A 62 -6.683 12.289 11.214 1.00 0.00 C ATOM 925 CG GLU A 62 -7.174 13.724 11.120 1.00 0.00 C ATOM 926 CD GLU A 62 -8.464 13.849 10.333 1.00 0.00 C ATOM 927 OE1 GLU A 62 -9.515 13.404 10.840 1.00 0.00 O ATOM 928 OE2 GLU A 62 -8.423 14.393 9.209 1.00 0.00 O ATOM 0 H GLU A 62 -6.368 9.885 10.732 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.604 12.061 9.078 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.529 11.638 11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.987 12.206 12.049 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.326 14.119 12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.405 14.337 10.650 1.00 0.00 H new ATOM 935 N ASN A 63 -3.732 12.163 10.730 1.00 0.00 N ATOM 936 CA ASN A 63 -2.390 12.733 10.707 1.00 0.00 C ATOM 937 C ASN A 63 -1.861 12.821 9.279 1.00 0.00 C ATOM 938 O ASN A 63 -1.354 13.859 8.856 1.00 0.00 O ATOM 939 CB ASN A 63 -1.441 11.892 11.564 1.00 0.00 C ATOM 940 CG ASN A 63 -2.061 11.490 12.888 1.00 0.00 C ATOM 941 OD1 ASN A 63 -2.221 10.304 13.177 1.00 0.00 O ATOM 942 ND2 ASN A 63 -2.412 12.480 13.701 1.00 0.00 N ATOM 0 H ASN A 63 -3.910 11.534 11.513 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.443 13.741 11.119 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.155 10.996 11.013 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.527 12.456 11.750 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.833 12.271 14.606 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.261 13.449 13.420 1.00 0.00 H new ATOM 949 N GLY A 64 -1.982 11.722 8.540 1.00 0.00 N ATOM 950 CA GLY A 64 -1.513 11.696 7.167 1.00 0.00 C ATOM 951 C GLY A 64 -0.694 10.458 6.858 1.00 0.00 C ATOM 952 O GLY A 64 0.436 10.555 6.378 1.00 0.00 O ATOM 0 H GLY A 64 -2.396 10.850 8.868 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.369 11.740 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.911 12.584 6.975 1.00 0.00 H new ATOM 956 N VAL A 65 -1.264 9.289 7.134 1.00 0.00 N ATOM 957 CA VAL A 65 -0.579 8.026 6.883 1.00 0.00 C ATOM 958 C VAL A 65 -1.526 7.001 6.270 1.00 0.00 C ATOM 959 O VAL A 65 -2.589 6.713 6.821 1.00 0.00 O ATOM 960 CB VAL A 65 0.020 7.446 8.178 1.00 0.00 C ATOM 961 CG1 VAL A 65 0.391 5.983 7.986 1.00 0.00 C ATOM 962 CG2 VAL A 65 1.229 8.258 8.616 1.00 0.00 C ATOM 0 H VAL A 65 -2.198 9.190 7.531 1.00 0.00 H new ATOM 0 HA VAL A 65 0.228 8.236 6.181 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.733 7.505 8.964 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.813 5.590 8.911 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.500 5.413 7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.127 5.896 7.186 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.639 7.834 9.532 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.987 8.233 7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.928 9.290 8.797 1.00 0.00 H new ATOM 972 N HIS A 66 -1.132 6.451 5.125 1.00 0.00 N ATOM 973 CA HIS A 66 -1.945 5.456 4.436 1.00 0.00 C ATOM 974 C HIS A 66 -1.413 4.049 4.691 1.00 0.00 C ATOM 975 O HIS A 66 -0.250 3.870 5.053 1.00 0.00 O ATOM 976 CB HIS A 66 -1.971 5.739 2.933 1.00 0.00 C ATOM 977 CG HIS A 66 -2.980 6.772 2.536 1.00 0.00 C ATOM 978 ND1 HIS A 66 -3.721 6.694 1.376 1.00 0.00 N ATOM 979 CD2 HIS A 66 -3.370 7.912 3.154 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.522 7.742 1.296 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.328 8.496 2.363 1.00 0.00 N ATOM 0 H HIS A 66 -0.255 6.678 4.656 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.960 5.519 4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -0.982 6.069 2.616 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.183 4.812 2.401 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.997 8.291 4.094 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.217 7.947 0.495 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -4.812 9.371 2.566 1.00 0.00 H new ATOM 989 N SER A 67 -2.272 3.052 4.500 1.00 0.00 N ATOM 990 CA SER A 67 -1.890 1.662 4.714 1.00 0.00 C ATOM 991 C SER A 67 -2.785 0.723 3.911 1.00 0.00 C ATOM 992 O SER A 67 -3.989 0.633 4.156 1.00 0.00 O ATOM 993 CB SER A 67 -1.968 1.312 6.201 1.00 0.00 C ATOM 994 OG SER A 67 -1.043 2.076 6.954 1.00 0.00 O ATOM 0 H SER A 67 -3.237 3.182 4.197 1.00 0.00 H new ATOM 0 HA SER A 67 -0.862 1.537 4.373 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.978 1.494 6.568 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.765 0.250 6.339 1.00 0.00 H new ATOM 0 HG SER A 67 -0.558 2.684 6.357 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.189 0.024 2.952 1.00 0.00 N ATOM 1001 CA LEU A 68 -2.931 -0.910 2.111 1.00 0.00 C ATOM 1002 C LEU A 68 -2.939 -2.306 2.725 1.00 0.00 C ATOM 1003 O LEU A 68 -1.917 -2.992 2.744 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.321 -0.960 0.709 1.00 0.00 C ATOM 1005 CG LEU A 68 -2.947 -1.964 -0.259 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.275 -1.441 -0.785 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -1.996 -2.260 -1.409 1.00 0.00 C ATOM 0 H LEU A 68 -1.194 0.086 2.737 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.960 -0.558 2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.393 0.034 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.260 -1.190 0.804 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.133 -2.893 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.706 -2.169 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.959 -1.280 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.113 -0.499 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.458 -2.977 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.778 -1.338 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.069 -2.678 -1.016 1.00 0.00 H new ATOM 1019 N ILE A 69 -4.099 -2.721 3.223 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.241 -4.037 3.833 1.00 0.00 C ATOM 1021 C ILE A 69 -5.000 -4.990 2.916 1.00 0.00 C ATOM 1022 O ILE A 69 -5.958 -4.595 2.251 1.00 0.00 O ATOM 1023 CB ILE A 69 -4.971 -3.954 5.187 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -4.072 -3.298 6.237 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -5.402 -5.341 5.642 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -4.817 -2.850 7.475 1.00 0.00 C ATOM 0 H ILE A 69 -4.954 -2.165 3.216 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.233 -4.420 3.995 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.863 -3.339 5.065 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.292 -4.002 6.527 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.574 -2.437 5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.916 -5.266 6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.075 -5.774 4.902 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.524 -5.978 5.750 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.117 -2.394 8.176 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.579 -2.122 7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.292 -3.711 7.945 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.567 -6.246 2.888 1.00 0.00 N ATOM 1039 CA ILE A 70 -5.208 -7.256 2.055 1.00 0.00 C ATOM 1040 C ILE A 70 -5.375 -8.568 2.813 1.00 0.00 C ATOM 1041 O ILE A 70 -4.405 -9.130 3.322 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.402 -7.518 0.768 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -4.082 -6.198 0.063 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -5.173 -8.446 -0.159 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.917 -6.294 -0.897 1.00 0.00 C ATOM 0 H ILE A 70 -3.775 -6.588 3.432 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.190 -6.867 1.786 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.463 -8.002 1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.965 -5.863 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.863 -5.438 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.591 -8.622 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.355 -9.395 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.126 -7.987 -0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.747 -5.322 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.022 -6.599 -0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.141 -7.030 -1.669 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.611 -9.053 2.881 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.904 -10.300 3.576 1.00 0.00 C ATOM 1059 C GLU A 71 -8.260 -10.855 3.149 1.00 0.00 C ATOM 1060 O GLU A 71 -9.289 -10.184 3.235 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.884 -10.083 5.091 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.652 -11.358 5.885 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.762 -12.373 5.697 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.921 -11.955 5.491 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.472 -13.586 5.755 1.00 0.00 O ATOM 0 H GLU A 71 -7.425 -8.601 2.463 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.134 -11.024 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.102 -9.365 5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.831 -9.640 5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.704 -11.802 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.566 -11.112 6.943 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.263 -12.111 2.677 1.00 0.00 N ATOM 1073 CA PRO A 72 -7.045 -12.919 2.569 1.00 0.00 C ATOM 1074 C PRO A 72 -6.105 -12.408 1.483 1.00 0.00 C ATOM 1075 O PRO A 72 -6.253 -11.287 0.996 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.573 -14.310 2.209 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.883 -14.058 1.545 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.456 -12.837 2.210 1.00 0.00 C ATOM 0 HA PRO A 72 -6.457 -12.896 3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.887 -14.834 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.692 -14.930 3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.753 -13.895 0.475 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.549 -14.913 1.659 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.043 -12.239 1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.115 -13.102 3.037 1.00 0.00 H new ATOM 1086 N VAL A 73 -5.136 -13.237 1.107 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.172 -12.870 0.077 1.00 0.00 C ATOM 1088 C VAL A 73 -4.028 -13.978 -0.961 1.00 0.00 C ATOM 1089 O VAL A 73 -3.887 -15.152 -0.617 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.790 -12.567 0.684 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.717 -12.583 -0.394 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.808 -11.230 1.410 1.00 0.00 C ATOM 0 H VAL A 73 -4.998 -14.168 1.501 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.553 -11.970 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.553 -13.345 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.747 -12.367 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.688 -13.566 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.945 -11.828 -1.146 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.823 -11.032 1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.067 -10.438 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.547 -11.261 2.211 1.00 0.00 H new ATOM 1102 N THR A 74 -4.064 -13.597 -2.234 1.00 0.00 N ATOM 1103 CA THR A 74 -3.937 -14.557 -3.323 1.00 0.00 C ATOM 1104 C THR A 74 -2.645 -14.339 -4.101 1.00 0.00 C ATOM 1105 O THR A 74 -2.100 -13.235 -4.123 1.00 0.00 O ATOM 1106 CB THR A 74 -5.129 -14.464 -4.295 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.093 -13.217 -4.997 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.448 -14.593 -3.547 1.00 0.00 C ATOM 0 H THR A 74 -4.180 -12.630 -2.536 1.00 0.00 H new ATOM 0 HA THR A 74 -3.922 -15.548 -2.870 1.00 0.00 H new ATOM 0 HB THR A 74 -5.052 -15.284 -5.009 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.718 -12.524 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.275 -14.524 -4.254 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.485 -15.556 -3.038 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.530 -13.791 -2.813 1.00 0.00 H new ATOM 1116 N SER A 75 -2.157 -15.399 -4.739 1.00 0.00 N ATOM 1117 CA SER A 75 -0.926 -15.325 -5.515 1.00 0.00 C ATOM 1118 C SER A 75 -0.983 -14.174 -6.516 1.00 0.00 C ATOM 1119 O SER A 75 0.043 -13.738 -7.036 1.00 0.00 O ATOM 1120 CB SER A 75 -0.681 -16.643 -6.251 1.00 0.00 C ATOM 1121 OG SER A 75 -0.528 -17.716 -5.338 1.00 0.00 O ATOM 0 H SER A 75 -2.597 -16.319 -4.733 1.00 0.00 H new ATOM 0 HA SER A 75 -0.102 -15.144 -4.825 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.515 -16.849 -6.922 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.213 -16.557 -6.869 1.00 0.00 H new ATOM 0 HG SER A 75 -1.356 -17.831 -4.827 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.192 -13.688 -6.780 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.385 -12.589 -7.718 1.00 0.00 C ATOM 1129 C ARG A 76 -1.914 -11.269 -7.115 1.00 0.00 C ATOM 1130 O ARG A 76 -1.377 -10.411 -7.815 1.00 0.00 O ATOM 1131 CB ARG A 76 -3.858 -12.483 -8.116 1.00 0.00 C ATOM 1132 CG ARG A 76 -4.273 -13.479 -9.187 1.00 0.00 C ATOM 1133 CD ARG A 76 -5.746 -13.837 -9.074 1.00 0.00 C ATOM 1134 NE ARG A 76 -6.305 -14.266 -10.354 1.00 0.00 N ATOM 1135 CZ ARG A 76 -6.496 -13.449 -11.383 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -6.175 -12.167 -11.285 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -7.009 -13.915 -12.515 1.00 0.00 N ATOM 0 H ARG A 76 -3.052 -14.038 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.789 -12.795 -8.607 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.476 -12.635 -7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.057 -11.473 -8.474 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.074 -13.059 -10.173 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.670 -14.383 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.870 -14.633 -8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.302 -12.974 -8.707 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.563 -15.247 -10.463 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.780 -11.805 -10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.323 -11.542 -12.078 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.257 -14.901 -12.595 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.156 -13.287 -13.305 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.119 -11.114 -5.811 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.715 -9.899 -5.113 1.00 0.00 C ATOM 1153 C ASP A 77 -0.217 -9.657 -5.266 1.00 0.00 C ATOM 1154 O ASP A 77 0.278 -8.568 -4.978 1.00 0.00 O ATOM 1155 CB ASP A 77 -2.080 -9.993 -3.630 1.00 0.00 C ATOM 1156 CG ASP A 77 -3.479 -10.535 -3.411 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -4.233 -10.650 -4.400 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -3.819 -10.845 -2.251 1.00 0.00 O ATOM 0 H ASP A 77 -2.562 -11.814 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.248 -9.059 -5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.361 -10.636 -3.122 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.001 -9.005 -3.176 1.00 0.00 H new ATOM 1163 N ALA A 78 0.499 -10.679 -5.722 1.00 0.00 N ATOM 1164 CA ALA A 78 1.940 -10.576 -5.915 1.00 0.00 C ATOM 1165 C ALA A 78 2.271 -9.758 -7.159 1.00 0.00 C ATOM 1166 O ALA A 78 1.933 -10.146 -8.277 1.00 0.00 O ATOM 1167 CB ALA A 78 2.560 -11.963 -6.013 1.00 0.00 C ATOM 0 H ALA A 78 0.105 -11.588 -5.965 1.00 0.00 H new ATOM 0 HA ALA A 78 2.361 -10.061 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.637 -11.871 -6.157 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.363 -12.515 -5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.125 -12.497 -6.858 1.00 0.00 H new ATOM 1173 N GLY A 79 2.933 -8.623 -6.957 1.00 0.00 N ATOM 1174 CA GLY A 79 3.297 -7.768 -8.071 1.00 0.00 C ATOM 1175 C GLY A 79 3.967 -6.484 -7.622 1.00 0.00 C ATOM 1176 O GLY A 79 4.606 -6.445 -6.570 1.00 0.00 O ATOM 0 H GLY A 79 3.224 -8.280 -6.041 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.968 -8.310 -8.737 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.403 -7.526 -8.646 1.00 0.00 H new ATOM 1180 N ILE A 80 3.823 -5.433 -8.421 1.00 0.00 N ATOM 1181 CA ILE A 80 4.420 -4.143 -8.100 1.00 0.00 C ATOM 1182 C ILE A 80 3.350 -3.111 -7.759 1.00 0.00 C ATOM 1183 O ILE A 80 2.493 -2.793 -8.585 1.00 0.00 O ATOM 1184 CB ILE A 80 5.275 -3.612 -9.266 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.373 -4.617 -9.621 1.00 0.00 C ATOM 1186 CG2 ILE A 80 5.879 -2.262 -8.909 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.338 -4.881 -8.486 1.00 0.00 C ATOM 0 H ILE A 80 3.298 -5.449 -9.295 1.00 0.00 H new ATOM 0 HA ILE A 80 5.060 -4.300 -7.232 1.00 0.00 H new ATOM 0 HB ILE A 80 4.633 -3.481 -10.137 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.911 -5.558 -9.921 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.929 -4.247 -10.482 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.480 -1.900 -9.743 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.081 -1.550 -8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.510 -2.368 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.089 -5.602 -8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 80 7.828 -3.950 -8.201 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.793 -5.281 -7.631 1.00 0.00 H new ATOM 1199 N TYR A 81 3.405 -2.591 -6.538 1.00 0.00 N ATOM 1200 CA TYR A 81 2.441 -1.595 -6.087 1.00 0.00 C ATOM 1201 C TYR A 81 2.972 -0.182 -6.309 1.00 0.00 C ATOM 1202 O TYR A 81 3.821 0.301 -5.559 1.00 0.00 O ATOM 1203 CB TYR A 81 2.116 -1.803 -4.607 1.00 0.00 C ATOM 1204 CG TYR A 81 1.208 -2.985 -4.347 1.00 0.00 C ATOM 1205 CD1 TYR A 81 -0.172 -2.859 -4.442 1.00 0.00 C ATOM 1206 CD2 TYR A 81 1.731 -4.225 -4.005 1.00 0.00 C ATOM 1207 CE1 TYR A 81 -1.005 -3.935 -4.204 1.00 0.00 C ATOM 1208 CE2 TYR A 81 0.906 -5.307 -3.768 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.461 -5.157 -3.868 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.287 -6.232 -3.630 1.00 0.00 O ATOM 0 H TYR A 81 4.107 -2.843 -5.843 1.00 0.00 H new ATOM 0 HA TYR A 81 1.530 -1.717 -6.673 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.046 -1.941 -4.055 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.645 -0.901 -4.217 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.601 -1.904 -4.706 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.801 -4.345 -3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.076 -3.820 -4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.329 -6.265 -3.506 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.899 -7.038 -4.031 1.00 0.00 H new ATOM 1220 N THR A 82 2.464 0.478 -7.346 1.00 0.00 N ATOM 1221 CA THR A 82 2.886 1.835 -7.668 1.00 0.00 C ATOM 1222 C THR A 82 1.893 2.861 -7.135 1.00 0.00 C ATOM 1223 O THR A 82 0.692 2.770 -7.393 1.00 0.00 O ATOM 1224 CB THR A 82 3.041 2.029 -9.188 1.00 0.00 C ATOM 1225 OG1 THR A 82 3.992 1.094 -9.707 1.00 0.00 O ATOM 1226 CG2 THR A 82 3.488 3.447 -9.510 1.00 0.00 C ATOM 0 H THR A 82 1.760 0.094 -7.977 1.00 0.00 H new ATOM 0 HA THR A 82 3.853 1.987 -7.189 1.00 0.00 H new ATOM 0 HB THR A 82 2.071 1.856 -9.655 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.083 1.223 -10.674 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.591 3.560 -10.589 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.747 4.155 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.448 3.643 -9.032 1.00 0.00 H new ATOM 1234 N CYS A 83 2.401 3.837 -6.390 1.00 0.00 N ATOM 1235 CA CYS A 83 1.557 4.882 -5.820 1.00 0.00 C ATOM 1236 C CYS A 83 1.963 6.255 -6.344 1.00 0.00 C ATOM 1237 O CYS A 83 3.138 6.505 -6.614 1.00 0.00 O ATOM 1238 CB CYS A 83 1.643 4.859 -4.293 1.00 0.00 C ATOM 1239 SG CYS A 83 0.170 5.497 -3.461 1.00 0.00 S ATOM 0 H CYS A 83 3.392 3.927 -6.167 1.00 0.00 H new ATOM 0 HA CYS A 83 0.528 4.688 -6.122 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.817 3.834 -3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.507 5.445 -3.980 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.070 4.787 -2.399 1.00 0.00 H new ATOM 1245 N ILE A 84 0.983 7.141 -6.487 1.00 0.00 N ATOM 1246 CA ILE A 84 1.238 8.489 -6.980 1.00 0.00 C ATOM 1247 C ILE A 84 0.665 9.538 -6.034 1.00 0.00 C ATOM 1248 O ILE A 84 -0.529 9.834 -6.069 1.00 0.00 O ATOM 1249 CB ILE A 84 0.640 8.698 -8.384 1.00 0.00 C ATOM 1250 CG1 ILE A 84 1.248 7.703 -9.374 1.00 0.00 C ATOM 1251 CG2 ILE A 84 0.872 10.127 -8.851 1.00 0.00 C ATOM 1252 CD1 ILE A 84 0.499 6.390 -9.448 1.00 0.00 C ATOM 0 H ILE A 84 0.005 6.950 -6.268 1.00 0.00 H new ATOM 0 HA ILE A 84 2.320 8.605 -7.034 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.435 8.522 -8.335 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.270 8.156 -10.365 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.282 7.507 -9.091 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.444 10.259 -9.845 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.396 10.819 -8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.943 10.329 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.986 5.734 -10.169 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.500 5.915 -8.467 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.529 6.574 -9.761 1.00 0.00 H new ATOM 1264 N ALA A 85 1.525 10.099 -5.189 1.00 0.00 N ATOM 1265 CA ALA A 85 1.104 11.118 -4.236 1.00 0.00 C ATOM 1266 C ALA A 85 1.194 12.512 -4.848 1.00 0.00 C ATOM 1267 O ALA A 85 2.287 13.037 -5.067 1.00 0.00 O ATOM 1268 CB ALA A 85 1.948 11.039 -2.973 1.00 0.00 C ATOM 0 H ALA A 85 2.517 9.865 -5.146 1.00 0.00 H new ATOM 0 HA ALA A 85 0.062 10.930 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.623 11.806 -2.270 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.830 10.056 -2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.996 11.199 -3.225 1.00 0.00 H new ATOM 1274 N THR A 86 0.038 13.109 -5.122 1.00 0.00 N ATOM 1275 CA THR A 86 -0.014 14.441 -5.710 1.00 0.00 C ATOM 1276 C THR A 86 -0.626 15.446 -4.741 1.00 0.00 C ATOM 1277 O THR A 86 -1.757 15.277 -4.290 1.00 0.00 O ATOM 1278 CB THR A 86 -0.827 14.446 -7.019 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.521 13.279 -7.790 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.528 15.694 -7.837 1.00 0.00 C ATOM 0 H THR A 86 -0.875 12.690 -4.946 1.00 0.00 H new ATOM 0 HA THR A 86 1.014 14.731 -5.928 1.00 0.00 H new ATOM 0 HB THR A 86 -1.887 14.444 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.043 13.289 -8.619 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.113 15.675 -8.756 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.790 16.580 -7.258 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.533 15.722 -8.083 1.00 0.00 H new ATOM 1288 N ASN A 87 0.130 16.493 -4.427 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.338 17.527 -3.511 1.00 0.00 C ATOM 1290 C ASN A 87 -0.386 18.886 -4.202 1.00 0.00 C ATOM 1291 O ASN A 87 -0.120 18.994 -5.399 1.00 0.00 O ATOM 1292 CB ASN A 87 0.570 17.598 -2.282 1.00 0.00 C ATOM 1293 CG ASN A 87 -0.134 18.188 -1.075 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -1.359 18.310 -1.056 1.00 0.00 O ATOM 1295 ND2 ASN A 87 0.639 18.558 -0.061 1.00 0.00 N ATOM 0 H ASN A 87 1.069 16.648 -4.793 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.348 17.266 -3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.925 16.597 -2.038 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.448 18.200 -2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.222 18.962 0.777 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.650 18.438 -0.120 1.00 0.00 H new ATOM 1302 N ARG A 88 -0.725 19.920 -3.440 1.00 0.00 N ATOM 1303 CA ARG A 88 -0.807 21.272 -3.979 1.00 0.00 C ATOM 1304 C ARG A 88 0.570 21.773 -4.403 1.00 0.00 C ATOM 1305 O ARG A 88 0.690 22.594 -5.312 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.410 22.221 -2.942 1.00 0.00 C ATOM 1307 CG ARG A 88 -1.522 23.659 -3.424 1.00 0.00 C ATOM 1308 CD ARG A 88 -2.680 23.832 -4.394 1.00 0.00 C ATOM 1309 NE ARG A 88 -2.790 25.207 -4.875 1.00 0.00 N ATOM 1310 CZ ARG A 88 -2.037 25.708 -5.847 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -1.124 24.951 -6.440 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -2.196 26.969 -6.229 1.00 0.00 N ATOM 0 H ARG A 88 -0.947 19.848 -2.447 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.452 21.248 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.401 21.861 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.799 22.196 -2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.660 24.321 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.592 23.955 -3.909 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.546 23.161 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.610 23.544 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.483 25.816 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.999 23.981 -6.150 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.547 25.338 -7.186 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.897 27.555 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.617 27.353 -6.976 1.00 0.00 H new ATOM 1326 N ALA A 89 1.606 21.275 -3.737 1.00 0.00 N ATOM 1327 CA ALA A 89 2.975 21.671 -4.046 1.00 0.00 C ATOM 1328 C ALA A 89 3.480 20.966 -5.300 1.00 0.00 C ATOM 1329 O ALA A 89 4.002 21.602 -6.214 1.00 0.00 O ATOM 1330 CB ALA A 89 3.889 21.374 -2.866 1.00 0.00 C ATOM 0 H ALA A 89 1.524 20.596 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 89 2.983 22.744 -4.236 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.908 21.675 -3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.547 21.928 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.868 20.306 -2.649 1.00 0.00 H new ATOM 1336 N GLY A 90 3.322 19.646 -5.336 1.00 0.00 N ATOM 1337 CA GLY A 90 3.769 18.876 -6.482 1.00 0.00 C ATOM 1338 C GLY A 90 3.200 17.471 -6.495 1.00 0.00 C ATOM 1339 O GLY A 90 2.036 17.264 -6.154 1.00 0.00 O ATOM 0 H GLY A 90 2.892 19.096 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.478 19.391 -7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.858 18.824 -6.478 1.00 0.00 H new ATOM 1343 N GLN A 91 4.022 16.505 -6.890 1.00 0.00 N ATOM 1344 CA GLN A 91 3.593 15.113 -6.948 1.00 0.00 C ATOM 1345 C GLN A 91 4.793 14.173 -6.982 1.00 0.00 C ATOM 1346 O GLN A 91 5.897 14.574 -7.348 1.00 0.00 O ATOM 1347 CB GLN A 91 2.713 14.880 -8.178 1.00 0.00 C ATOM 1348 CG GLN A 91 3.423 15.150 -9.494 1.00 0.00 C ATOM 1349 CD GLN A 91 4.604 14.227 -9.720 1.00 0.00 C ATOM 1350 OE1 GLN A 91 5.746 14.675 -9.824 1.00 0.00 O ATOM 1351 NE2 GLN A 91 4.335 12.929 -9.799 1.00 0.00 N ATOM 0 H GLN A 91 4.989 16.661 -7.175 1.00 0.00 H new ATOM 0 HA GLN A 91 3.014 14.900 -6.049 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.359 13.849 -8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.833 15.520 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 91 2.715 15.035 -10.315 1.00 0.00 H new ATOM 0 HG3 GLN A 91 3.767 16.184 -9.512 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.374 12.601 -9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.090 12.260 -9.951 1.00 0.00 H new ATOM 1360 N ASN A 92 4.569 12.921 -6.597 1.00 0.00 N ATOM 1361 CA ASN A 92 5.634 11.924 -6.583 1.00 0.00 C ATOM 1362 C ASN A 92 5.057 10.513 -6.538 1.00 0.00 C ATOM 1363 O ASN A 92 3.851 10.329 -6.374 1.00 0.00 O ATOM 1364 CB ASN A 92 6.555 12.149 -5.381 1.00 0.00 C ATOM 1365 CG ASN A 92 7.912 11.498 -5.564 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.509 11.572 -6.639 1.00 0.00 O ATOM 1367 ND2 ASN A 92 8.407 10.856 -4.512 1.00 0.00 N ATOM 0 H ASN A 92 3.661 12.573 -6.291 1.00 0.00 H new ATOM 0 HA ASN A 92 6.212 12.032 -7.501 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.687 13.219 -5.223 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.081 11.750 -4.484 1.00 0.00 H new ATOM 0 HD21 ASN A 92 9.317 10.399 -4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.878 10.820 -3.641 1.00 0.00 H new ATOM 1374 N SER A 93 5.927 9.518 -6.686 1.00 0.00 N ATOM 1375 CA SER A 93 5.503 8.123 -6.666 1.00 0.00 C ATOM 1376 C SER A 93 6.623 7.223 -6.153 1.00 0.00 C ATOM 1377 O SER A 93 7.782 7.633 -6.083 1.00 0.00 O ATOM 1378 CB SER A 93 5.076 7.678 -8.066 1.00 0.00 C ATOM 1379 OG SER A 93 5.235 6.279 -8.226 1.00 0.00 O ATOM 0 H SER A 93 6.929 9.652 -6.821 1.00 0.00 H new ATOM 0 HA SER A 93 4.652 8.036 -5.990 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.034 7.951 -8.236 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.669 8.203 -8.815 1.00 0.00 H new ATOM 0 HG SER A 93 4.537 5.811 -7.722 1.00 0.00 H new ATOM 1385 N PHE A 94 6.269 5.993 -5.796 1.00 0.00 N ATOM 1386 CA PHE A 94 7.243 5.034 -5.288 1.00 0.00 C ATOM 1387 C PHE A 94 6.872 3.612 -5.700 1.00 0.00 C ATOM 1388 O PHE A 94 5.693 3.268 -5.790 1.00 0.00 O ATOM 1389 CB PHE A 94 7.335 5.127 -3.763 1.00 0.00 C ATOM 1390 CG PHE A 94 6.329 4.271 -3.049 1.00 0.00 C ATOM 1391 CD1 PHE A 94 5.033 4.719 -2.853 1.00 0.00 C ATOM 1392 CD2 PHE A 94 6.679 3.018 -2.572 1.00 0.00 C ATOM 1393 CE1 PHE A 94 4.104 3.934 -2.196 1.00 0.00 C ATOM 1394 CE2 PHE A 94 5.755 2.228 -1.915 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.466 2.687 -1.725 1.00 0.00 C ATOM 0 H PHE A 94 5.315 5.637 -5.849 1.00 0.00 H new ATOM 0 HA PHE A 94 8.214 5.277 -5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.337 4.835 -3.449 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.196 6.165 -3.461 1.00 0.00 H new ATOM 0 HD1 PHE A 94 4.745 5.694 -3.218 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.686 2.655 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 94 3.097 4.295 -2.051 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.040 1.252 -1.550 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.743 2.072 -1.209 1.00 0.00 H new ATOM 1405 N SER A 95 7.887 2.791 -5.951 1.00 0.00 N ATOM 1406 CA SER A 95 7.668 1.408 -6.358 1.00 0.00 C ATOM 1407 C SER A 95 8.127 0.443 -5.270 1.00 0.00 C ATOM 1408 O SER A 95 9.061 0.731 -4.520 1.00 0.00 O ATOM 1409 CB SER A 95 8.413 1.115 -7.662 1.00 0.00 C ATOM 1410 OG SER A 95 9.807 1.320 -7.511 1.00 0.00 O ATOM 0 H SER A 95 8.868 3.060 -5.880 1.00 0.00 H new ATOM 0 HA SER A 95 6.599 1.267 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.225 0.086 -7.968 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.032 1.759 -8.455 1.00 0.00 H new ATOM 0 HG SER A 95 10.260 1.124 -8.358 1.00 0.00 H new ATOM 1416 N LEU A 96 7.462 -0.705 -5.188 1.00 0.00 N ATOM 1417 CA LEU A 96 7.800 -1.715 -4.192 1.00 0.00 C ATOM 1418 C LEU A 96 7.502 -3.117 -4.714 1.00 0.00 C ATOM 1419 O LEU A 96 6.734 -3.286 -5.661 1.00 0.00 O ATOM 1420 CB LEU A 96 7.022 -1.465 -2.899 1.00 0.00 C ATOM 1421 CG LEU A 96 5.589 -1.995 -2.864 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.583 -3.508 -2.711 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.804 -1.341 -1.736 1.00 0.00 C ATOM 0 H LEU A 96 6.686 -0.959 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 96 8.868 -1.643 -3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.574 -1.914 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.995 -0.391 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 96 5.107 -1.743 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.554 -3.867 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.107 -3.961 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.084 -3.782 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.786 -1.731 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.285 -1.561 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.778 -0.262 -1.889 1.00 0.00 H new ATOM 1435 N GLU A 97 8.113 -4.119 -4.089 1.00 0.00 N ATOM 1436 CA GLU A 97 7.911 -5.506 -4.491 1.00 0.00 C ATOM 1437 C GLU A 97 7.313 -6.322 -3.349 1.00 0.00 C ATOM 1438 O GLU A 97 7.593 -6.067 -2.176 1.00 0.00 O ATOM 1439 CB GLU A 97 9.235 -6.128 -4.940 1.00 0.00 C ATOM 1440 CG GLU A 97 9.093 -7.546 -5.466 1.00 0.00 C ATOM 1441 CD GLU A 97 8.734 -7.589 -6.939 1.00 0.00 C ATOM 1442 OE1 GLU A 97 9.573 -7.177 -7.767 1.00 0.00 O ATOM 1443 OE2 GLU A 97 7.613 -8.034 -7.263 1.00 0.00 O ATOM 0 H GLU A 97 8.751 -3.996 -3.303 1.00 0.00 H new ATOM 0 HA GLU A 97 7.211 -5.517 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.675 -5.503 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.930 -6.129 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.028 -8.083 -5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.325 -8.067 -4.893 1.00 0.00 H new ATOM 1450 N LEU A 98 6.490 -7.304 -3.698 1.00 0.00 N ATOM 1451 CA LEU A 98 5.851 -8.158 -2.703 1.00 0.00 C ATOM 1452 C LEU A 98 5.822 -9.610 -3.170 1.00 0.00 C ATOM 1453 O LEU A 98 5.222 -9.931 -4.195 1.00 0.00 O ATOM 1454 CB LEU A 98 4.428 -7.672 -2.422 1.00 0.00 C ATOM 1455 CG LEU A 98 3.492 -8.684 -1.761 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.716 -8.716 -0.257 1.00 0.00 C ATOM 1457 CD2 LEU A 98 2.041 -8.355 -2.079 1.00 0.00 C ATOM 0 H LEU A 98 6.249 -7.529 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 98 6.435 -8.102 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.486 -6.790 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.981 -7.355 -3.364 1.00 0.00 H new ATOM 0 HG LEU A 98 3.716 -9.673 -2.162 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.041 -9.442 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.747 -9.000 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.520 -7.729 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.389 -9.086 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.804 -7.358 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.889 -8.385 -3.158 1.00 0.00 H new ATOM 1469 N VAL A 99 6.474 -10.484 -2.409 1.00 0.00 N ATOM 1470 CA VAL A 99 6.520 -11.903 -2.743 1.00 0.00 C ATOM 1471 C VAL A 99 5.423 -12.674 -2.017 1.00 0.00 C ATOM 1472 O VAL A 99 5.126 -12.405 -0.853 1.00 0.00 O ATOM 1473 CB VAL A 99 7.886 -12.518 -2.388 1.00 0.00 C ATOM 1474 CG1 VAL A 99 7.905 -14.003 -2.718 1.00 0.00 C ATOM 1475 CG2 VAL A 99 9.004 -11.788 -3.116 1.00 0.00 C ATOM 0 H VAL A 99 6.977 -10.234 -1.558 1.00 0.00 H new ATOM 0 HA VAL A 99 6.363 -11.981 -3.819 1.00 0.00 H new ATOM 0 HB VAL A 99 8.048 -12.406 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.878 -14.421 -2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.129 -14.513 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.721 -14.141 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.962 -12.236 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.849 -11.867 -4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.003 -10.738 -2.825 1.00 0.00 H new ATOM 1485 N VAL A 100 4.824 -13.635 -2.712 1.00 0.00 N ATOM 1486 CA VAL A 100 3.761 -14.448 -2.134 1.00 0.00 C ATOM 1487 C VAL A 100 3.966 -15.926 -2.447 1.00 0.00 C ATOM 1488 O VAL A 100 4.090 -16.313 -3.608 1.00 0.00 O ATOM 1489 CB VAL A 100 2.377 -14.012 -2.651 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.324 -15.053 -2.300 1.00 0.00 C ATOM 1491 CG2 VAL A 100 2.002 -12.651 -2.086 1.00 0.00 C ATOM 0 H VAL A 100 5.057 -13.870 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 100 3.801 -14.300 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 100 2.423 -13.929 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.353 -14.728 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.588 -16.006 -2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.276 -15.171 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.021 -12.359 -2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.972 -12.704 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.743 -11.913 -2.393 1.00 0.00 H new ATOM 1501 N ALA A 101 4.001 -16.747 -1.402 1.00 0.00 N ATOM 1502 CA ALA A 101 4.189 -18.183 -1.566 1.00 0.00 C ATOM 1503 C ALA A 101 2.854 -18.919 -1.531 1.00 0.00 C ATOM 1504 O ALA A 101 2.112 -18.834 -0.553 1.00 0.00 O ATOM 1505 CB ALA A 101 5.118 -18.720 -0.487 1.00 0.00 C ATOM 0 H ALA A 101 3.902 -16.442 -0.434 1.00 0.00 H new ATOM 0 HA ALA A 101 4.644 -18.356 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.250 -19.794 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.086 -18.224 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.685 -18.528 0.495 1.00 0.00 H new ATOM 1511 N ALA A 102 2.553 -19.640 -2.606 1.00 0.00 N ATOM 1512 CA ALA A 102 1.308 -20.392 -2.698 1.00 0.00 C ATOM 1513 C ALA A 102 0.991 -21.093 -1.381 1.00 0.00 C ATOM 1514 O ALA A 102 1.887 -21.371 -0.583 1.00 0.00 O ATOM 1515 CB ALA A 102 1.384 -21.403 -3.832 1.00 0.00 C ATOM 0 H ALA A 102 3.155 -19.719 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 102 0.502 -19.688 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.447 -21.957 -3.889 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.555 -20.881 -4.774 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.205 -22.096 -3.647 1.00 0.00 H new