USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 61 HIS : no HE2:sc= -12! C(o=-13!,f=-17!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -151:sc= -0.867 (180deg=-0.226) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -2.8! K(o=-2.8!,f=-1) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.26 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl -107:sc= -1.42 (180deg=-5.1!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -7.07! C(o=-7.1!,f=-7.6!) USER MOD Single : A 33 MET CE :methyl -161:sc= -12! (180deg=-13.1!) USER MOD Single : A 34 GLN : amide:sc= -2.49! C(o=-2.5!,f=-4.8!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -71:sc= -5.61! USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0061 USER MOD Single : A 56 CYS SG : rot -98:sc= -14.1! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 30:sc= -0.66! USER MOD Single : A 75 TYR OH : rot 174:sc= -11.2! USER MOD ----------------------------------------------------------------- ATOM 65 N PHE A 5 -10.857 4.047 1.651 1.00 0.00 N ATOM 66 CA PHE A 5 -9.804 3.927 2.696 1.00 0.00 C ATOM 67 C PHE A 5 -10.455 3.677 4.057 1.00 0.00 C ATOM 68 O PHE A 5 -9.825 3.813 5.087 1.00 0.00 O ATOM 69 CB PHE A 5 -8.992 5.219 2.752 1.00 0.00 C ATOM 70 CG PHE A 5 -7.816 5.122 1.810 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.842 4.236 0.729 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.696 5.924 2.017 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.744 4.160 -0.138 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.609 5.842 1.140 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.629 4.967 0.069 1.00 0.00 C ATOM 0 HA PHE A 5 -9.147 3.093 2.451 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.620 6.067 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.642 5.396 3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.707 3.611 0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.667 6.608 2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.763 3.472 -0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.745 6.469 1.301 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.785 4.910 -0.602 1.00 0.00 H new ATOM 85 N SER A 6 -11.706 3.306 4.071 1.00 0.00 N ATOM 86 CA SER A 6 -12.384 3.040 5.370 1.00 0.00 C ATOM 87 C SER A 6 -11.482 2.145 6.220 1.00 0.00 C ATOM 88 O SER A 6 -10.449 1.693 5.770 1.00 0.00 O ATOM 89 CB SER A 6 -13.716 2.333 5.117 1.00 0.00 C ATOM 90 OG SER A 6 -14.589 3.214 4.423 1.00 0.00 O ATOM 0 H SER A 6 -12.286 3.176 3.242 1.00 0.00 H new ATOM 0 HA SER A 6 -12.572 3.979 5.890 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.555 1.427 4.533 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.164 2.028 6.062 1.00 0.00 H new ATOM 0 HG SER A 6 -15.444 2.764 4.257 1.00 0.00 H new ATOM 96 N SER A 7 -11.858 1.877 7.440 1.00 0.00 N ATOM 97 CA SER A 7 -11.002 1.012 8.296 1.00 0.00 C ATOM 98 C SER A 7 -10.588 -0.226 7.493 1.00 0.00 C ATOM 99 O SER A 7 -11.385 -1.121 7.287 1.00 0.00 O ATOM 100 CB SER A 7 -11.785 0.581 9.525 1.00 0.00 C ATOM 101 OG SER A 7 -11.121 1.045 10.693 1.00 0.00 O ATOM 0 H SER A 7 -12.714 2.217 7.878 1.00 0.00 H new ATOM 0 HA SER A 7 -10.116 1.563 8.610 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.797 0.983 9.485 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.874 -0.505 9.551 1.00 0.00 H new ATOM 0 HG SER A 7 -11.625 0.770 11.487 1.00 0.00 H new ATOM 107 N PRO A 8 -9.354 -0.233 7.047 1.00 0.00 N ATOM 108 CA PRO A 8 -8.810 -1.340 6.242 1.00 0.00 C ATOM 109 C PRO A 8 -8.520 -2.554 7.126 1.00 0.00 C ATOM 110 O PRO A 8 -8.481 -2.460 8.336 1.00 0.00 O ATOM 111 CB PRO A 8 -7.523 -0.761 5.651 1.00 0.00 C ATOM 112 CG PRO A 8 -7.109 0.410 6.571 1.00 0.00 C ATOM 113 CD PRO A 8 -8.381 0.850 7.318 1.00 0.00 C ATOM 0 HA PRO A 8 -9.499 -1.690 5.473 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.740 -1.518 5.609 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.686 -0.414 4.630 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.336 0.097 7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.697 1.234 5.989 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.197 0.962 8.386 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.744 1.812 6.955 1.00 0.00 H new ATOM 121 N ASP A 9 -8.312 -3.691 6.527 1.00 0.00 N ATOM 122 CA ASP A 9 -8.020 -4.910 7.329 1.00 0.00 C ATOM 123 C ASP A 9 -6.569 -4.856 7.805 1.00 0.00 C ATOM 124 O ASP A 9 -6.200 -5.479 8.781 1.00 0.00 O ATOM 125 CB ASP A 9 -8.229 -6.154 6.463 1.00 0.00 C ATOM 126 CG ASP A 9 -9.701 -6.258 6.065 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.449 -5.351 6.392 1.00 0.00 O ATOM 128 OD2 ASP A 9 -10.058 -7.242 5.439 1.00 0.00 O ATOM 0 H ASP A 9 -8.331 -3.830 5.517 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.688 -4.955 8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.604 -6.099 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.926 -7.046 7.011 1.00 0.00 H new ATOM 133 N HIS A 10 -5.740 -4.118 7.118 1.00 0.00 N ATOM 134 CA HIS A 10 -4.314 -4.027 7.523 1.00 0.00 C ATOM 135 C HIS A 10 -3.796 -2.618 7.237 1.00 0.00 C ATOM 136 O HIS A 10 -4.470 -1.822 6.624 1.00 0.00 O ATOM 137 CB HIS A 10 -3.509 -5.034 6.707 1.00 0.00 C ATOM 138 CG HIS A 10 -3.642 -6.398 7.324 1.00 0.00 C ATOM 139 ND1 HIS A 10 -2.582 -7.037 7.947 1.00 0.00 N ATOM 140 CD2 HIS A 10 -4.707 -7.256 7.421 1.00 0.00 C ATOM 141 CE1 HIS A 10 -3.029 -8.227 8.388 1.00 0.00 C ATOM 142 NE2 HIS A 10 -4.319 -8.411 8.093 1.00 0.00 N ATOM 0 H HIS A 10 -5.992 -3.574 6.293 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.214 -4.242 8.587 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.866 -5.052 5.677 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.460 -4.738 6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.697 -7.064 7.034 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.420 -8.946 8.916 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.895 -9.223 8.313 1.00 0.00 H new ATOM 150 N THR A 11 -2.604 -2.304 7.670 1.00 0.00 N ATOM 151 CA THR A 11 -2.048 -0.949 7.407 1.00 0.00 C ATOM 152 C THR A 11 -0.535 -1.055 7.194 1.00 0.00 C ATOM 153 O THR A 11 0.089 -2.026 7.574 1.00 0.00 O ATOM 154 CB THR A 11 -2.317 -0.051 8.606 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.712 -0.026 8.876 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.822 1.368 8.312 1.00 0.00 C ATOM 0 H THR A 11 -1.992 -2.929 8.195 1.00 0.00 H new ATOM 0 HA THR A 11 -2.519 -0.529 6.518 1.00 0.00 H new ATOM 0 HB THR A 11 -1.787 -0.441 9.475 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.885 0.551 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.017 2.007 9.173 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.751 1.345 8.112 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.346 1.763 7.441 1.00 0.00 H new ATOM 164 N LEU A 12 0.059 -0.056 6.605 1.00 0.00 N ATOM 165 CA LEU A 12 1.536 -0.089 6.382 1.00 0.00 C ATOM 166 C LEU A 12 2.112 1.316 6.483 1.00 0.00 C ATOM 167 O LEU A 12 1.960 2.116 5.588 1.00 0.00 O ATOM 168 CB LEU A 12 1.850 -0.623 4.983 1.00 0.00 C ATOM 169 CG LEU A 12 3.320 -0.299 4.612 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.222 -0.516 5.830 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.774 -1.233 3.499 1.00 0.00 C ATOM 0 H LEU A 12 -0.412 0.783 6.267 1.00 0.00 H new ATOM 0 HA LEU A 12 1.976 -0.736 7.141 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.687 -1.700 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.175 -0.176 4.254 1.00 0.00 H new ATOM 0 HG LEU A 12 3.385 0.739 4.285 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.254 -0.287 5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.902 0.139 6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.153 -1.555 6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.807 -1.009 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.702 -2.266 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.138 -1.094 2.625 1.00 0.00 H new ATOM 183 N ASP A 13 2.817 1.610 7.527 1.00 0.00 N ATOM 184 CA ASP A 13 3.436 2.955 7.623 1.00 0.00 C ATOM 185 C ASP A 13 4.625 2.976 6.664 1.00 0.00 C ATOM 186 O ASP A 13 5.440 2.075 6.664 1.00 0.00 O ATOM 187 CB ASP A 13 3.921 3.201 9.054 1.00 0.00 C ATOM 188 CG ASP A 13 4.285 4.677 9.225 1.00 0.00 C ATOM 189 OD1 ASP A 13 3.375 5.479 9.362 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.467 4.980 9.218 1.00 0.00 O ATOM 0 H ASP A 13 2.993 0.986 8.314 1.00 0.00 H new ATOM 0 HA ASP A 13 2.716 3.732 7.366 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.143 2.923 9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.787 2.575 9.268 1.00 0.00 H new ATOM 195 N ALA A 14 4.758 3.990 5.860 1.00 0.00 N ATOM 196 CA ALA A 14 5.920 4.031 4.937 1.00 0.00 C ATOM 197 C ALA A 14 6.462 5.458 4.951 1.00 0.00 C ATOM 198 O ALA A 14 7.253 5.900 4.113 1.00 0.00 O ATOM 199 CB ALA A 14 5.503 3.568 3.550 1.00 0.00 C ATOM 0 H ALA A 14 4.120 4.784 5.802 1.00 0.00 H new ATOM 0 HA ALA A 14 6.711 3.352 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.363 3.602 2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.127 2.547 3.605 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.720 4.223 3.168 1.00 0.00 H new ATOM 205 N LEU A 15 6.048 6.158 5.963 1.00 0.00 N ATOM 206 CA LEU A 15 6.509 7.523 6.199 1.00 0.00 C ATOM 207 C LEU A 15 7.886 7.405 6.820 1.00 0.00 C ATOM 208 O LEU A 15 8.046 7.003 7.955 1.00 0.00 O ATOM 209 CB LEU A 15 5.570 8.201 7.165 1.00 0.00 C ATOM 210 CG LEU A 15 4.129 7.939 6.749 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.191 8.253 7.916 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.792 8.840 5.566 1.00 0.00 C ATOM 0 H LEU A 15 5.383 5.815 6.656 1.00 0.00 H new ATOM 0 HA LEU A 15 6.540 8.106 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.741 7.828 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.764 9.273 7.184 1.00 0.00 H new ATOM 0 HG LEU A 15 4.008 6.893 6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.160 8.065 7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.443 7.619 8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.301 9.300 8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.762 8.664 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.909 9.883 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.463 8.618 4.737 1.00 0.00 H new ATOM 224 N GLY A 16 8.875 7.689 6.056 1.00 0.00 N ATOM 225 CA GLY A 16 10.266 7.534 6.545 1.00 0.00 C ATOM 226 C GLY A 16 10.781 6.189 6.025 1.00 0.00 C ATOM 227 O GLY A 16 11.939 5.853 6.162 1.00 0.00 O ATOM 0 H GLY A 16 8.789 8.028 5.098 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.893 8.351 6.187 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.296 7.563 7.634 1.00 0.00 H new ATOM 231 N LEU A 17 9.912 5.431 5.394 1.00 0.00 N ATOM 232 CA LEU A 17 10.311 4.129 4.822 1.00 0.00 C ATOM 233 C LEU A 17 10.724 4.377 3.404 1.00 0.00 C ATOM 234 O LEU A 17 10.185 5.233 2.743 1.00 0.00 O ATOM 235 CB LEU A 17 9.127 3.168 4.790 1.00 0.00 C ATOM 236 CG LEU A 17 8.716 2.750 6.195 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.144 1.341 6.120 1.00 0.00 C ATOM 238 CD2 LEU A 17 9.917 2.743 7.123 1.00 0.00 C ATOM 0 H LEU A 17 8.931 5.675 5.256 1.00 0.00 H new ATOM 0 HA LEU A 17 11.110 3.697 5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.284 3.643 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.388 2.285 4.207 1.00 0.00 H new ATOM 0 HG LEU A 17 7.980 3.454 6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.841 1.018 7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.278 1.335 5.458 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.902 0.661 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.603 2.442 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.661 2.040 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.350 3.742 7.165 1.00 0.00 H new ATOM 250 N ARG A 18 11.645 3.645 2.910 1.00 0.00 N ATOM 251 CA ARG A 18 12.033 3.882 1.510 1.00 0.00 C ATOM 252 C ARG A 18 12.337 2.564 0.841 1.00 0.00 C ATOM 253 O ARG A 18 12.796 1.631 1.463 1.00 0.00 O ATOM 254 CB ARG A 18 13.226 4.810 1.469 1.00 0.00 C ATOM 255 CG ARG A 18 14.226 4.419 2.559 1.00 0.00 C ATOM 256 CD ARG A 18 15.642 4.422 1.981 1.00 0.00 C ATOM 257 NE ARG A 18 16.456 5.466 2.664 1.00 0.00 N ATOM 258 CZ ARG A 18 17.042 6.399 1.964 1.00 0.00 C ATOM 259 NH1 ARG A 18 18.223 6.186 1.452 1.00 0.00 N ATOM 260 NH2 ARG A 18 16.445 7.544 1.775 1.00 0.00 N ATOM 0 H ARG A 18 12.145 2.902 3.397 1.00 0.00 H new ATOM 0 HA ARG A 18 11.214 4.356 0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.703 4.760 0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.902 5.841 1.613 1.00 0.00 H new ATOM 0 HG2 ARG A 18 14.161 5.117 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.984 3.431 2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.102 3.443 2.113 1.00 0.00 H new ATOM 0 HD3 ARG A 18 15.608 4.616 0.909 1.00 0.00 H new ATOM 0 HE ARG A 18 16.555 5.452 3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.688 5.290 1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.681 6.915 0.905 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.521 7.709 2.174 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.902 8.273 1.228 1.00 0.00 H new ATOM 274 N CYS A 19 12.074 2.473 -0.416 1.00 0.00 N ATOM 275 CA CYS A 19 12.328 1.189 -1.120 1.00 0.00 C ATOM 276 C CYS A 19 13.715 0.689 -0.742 1.00 0.00 C ATOM 277 O CYS A 19 14.639 1.470 -0.624 1.00 0.00 O ATOM 278 CB CYS A 19 12.246 1.408 -2.627 1.00 0.00 C ATOM 279 SG CYS A 19 12.919 -0.029 -3.501 1.00 0.00 S ATOM 0 H CYS A 19 11.695 3.224 -0.993 1.00 0.00 H new ATOM 0 HA CYS A 19 11.581 0.450 -0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.210 1.571 -2.923 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.801 2.304 -2.903 1.00 0.00 H new ATOM 0 HG CYS A 19 12.842 0.168 -4.784 1.00 0.00 H new ATOM 285 N PRO A 20 13.831 -0.601 -0.570 1.00 0.00 N ATOM 286 CA PRO A 20 12.714 -1.570 -0.710 1.00 0.00 C ATOM 287 C PRO A 20 11.956 -1.760 0.619 1.00 0.00 C ATOM 288 O PRO A 20 11.106 -2.612 0.730 1.00 0.00 O ATOM 289 CB PRO A 20 13.437 -2.875 -1.032 1.00 0.00 C ATOM 290 CG PRO A 20 14.868 -2.728 -0.456 1.00 0.00 C ATOM 291 CD PRO A 20 15.121 -1.226 -0.247 1.00 0.00 C ATOM 0 HA PRO A 20 11.984 -1.246 -1.451 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.923 -3.726 -0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.466 -3.049 -2.108 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.961 -3.269 0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.604 -3.151 -1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.424 -1.011 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.916 -0.861 -0.897 1.00 0.00 H new ATOM 299 N GLU A 21 12.319 -1.035 1.636 1.00 0.00 N ATOM 300 CA GLU A 21 11.685 -1.222 2.992 1.00 0.00 C ATOM 301 C GLU A 21 10.153 -1.175 2.989 1.00 0.00 C ATOM 302 O GLU A 21 9.526 -2.025 3.587 1.00 0.00 O ATOM 303 CB GLU A 21 12.213 -0.167 3.953 1.00 0.00 C ATOM 304 CG GLU A 21 13.591 -0.583 4.469 1.00 0.00 C ATOM 305 CD GLU A 21 13.748 -0.138 5.924 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.159 0.868 6.283 1.00 0.00 O ATOM 307 OE2 GLU A 21 14.455 -0.812 6.656 1.00 0.00 O ATOM 0 H GLU A 21 13.035 -0.310 1.597 1.00 0.00 H new ATOM 0 HA GLU A 21 11.960 -2.227 3.311 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.279 0.797 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.523 -0.044 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.708 -1.664 4.394 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.372 -0.135 3.854 1.00 0.00 H new ATOM 314 N PRO A 22 9.592 -0.200 2.352 1.00 0.00 N ATOM 315 CA PRO A 22 8.132 -0.047 2.302 1.00 0.00 C ATOM 316 C PRO A 22 7.570 -1.159 1.448 1.00 0.00 C ATOM 317 O PRO A 22 6.856 -2.025 1.912 1.00 0.00 O ATOM 318 CB PRO A 22 7.937 1.328 1.673 1.00 0.00 C ATOM 319 CG PRO A 22 9.250 1.661 0.935 1.00 0.00 C ATOM 320 CD PRO A 22 10.341 0.807 1.596 1.00 0.00 C ATOM 0 HA PRO A 22 7.627 -0.110 3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.094 1.323 0.982 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.720 2.076 2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.168 1.433 -0.128 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.484 2.723 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.992 0.346 0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.976 1.406 2.249 1.00 0.00 H new ATOM 328 N VAL A 23 7.932 -1.172 0.212 1.00 0.00 N ATOM 329 CA VAL A 23 7.479 -2.268 -0.671 1.00 0.00 C ATOM 330 C VAL A 23 7.715 -3.589 0.065 1.00 0.00 C ATOM 331 O VAL A 23 7.058 -4.581 -0.184 1.00 0.00 O ATOM 332 CB VAL A 23 8.322 -2.260 -1.938 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.865 -3.386 -2.866 1.00 0.00 C ATOM 334 CG2 VAL A 23 8.169 -0.916 -2.651 1.00 0.00 C ATOM 0 H VAL A 23 8.525 -0.470 -0.231 1.00 0.00 H new ATOM 0 HA VAL A 23 6.426 -2.147 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 23 9.369 -2.411 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.470 -3.378 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.982 -4.344 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.817 -3.239 -3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.774 -0.914 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.122 -0.760 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.501 -0.114 -1.991 1.00 0.00 H new ATOM 344 N MET A 24 8.663 -3.605 0.974 1.00 0.00 N ATOM 345 CA MET A 24 8.954 -4.860 1.726 1.00 0.00 C ATOM 346 C MET A 24 7.856 -5.108 2.761 1.00 0.00 C ATOM 347 O MET A 24 7.390 -6.217 2.932 1.00 0.00 O ATOM 348 CB MET A 24 10.298 -4.724 2.440 1.00 0.00 C ATOM 349 CG MET A 24 11.418 -5.212 1.518 1.00 0.00 C ATOM 350 SD MET A 24 12.366 -6.507 2.355 1.00 0.00 S ATOM 351 CE MET A 24 11.398 -7.917 1.763 1.00 0.00 C ATOM 0 H MET A 24 9.243 -2.804 1.224 1.00 0.00 H new ATOM 0 HA MET A 24 8.991 -5.697 1.029 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.470 -3.685 2.720 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.292 -5.305 3.362 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.997 -5.597 0.589 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.072 -4.382 1.252 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.816 -8.840 2.166 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.364 -7.813 2.092 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.430 -7.949 0.674 1.00 0.00 H new ATOM 361 N MET A 25 7.441 -4.086 3.453 1.00 0.00 N ATOM 362 CA MET A 25 6.375 -4.268 4.475 1.00 0.00 C ATOM 363 C MET A 25 5.115 -4.781 3.791 1.00 0.00 C ATOM 364 O MET A 25 4.467 -5.677 4.276 1.00 0.00 O ATOM 365 CB MET A 25 6.087 -2.933 5.160 1.00 0.00 C ATOM 366 CG MET A 25 7.008 -2.771 6.372 1.00 0.00 C ATOM 367 SD MET A 25 6.061 -2.116 7.769 1.00 0.00 S ATOM 368 CE MET A 25 7.379 -1.096 8.473 1.00 0.00 C ATOM 0 H MET A 25 7.793 -3.134 3.356 1.00 0.00 H new ATOM 0 HA MET A 25 6.702 -4.988 5.226 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.242 -2.112 4.460 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.044 -2.891 5.474 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.450 -3.732 6.637 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.830 -2.098 6.129 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.750 -1.561 9.387 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.194 -1.007 7.754 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.988 -0.105 8.703 1.00 0.00 H new ATOM 378 N VAL A 26 4.766 -4.229 2.664 1.00 0.00 N ATOM 379 CA VAL A 26 3.548 -4.721 1.956 1.00 0.00 C ATOM 380 C VAL A 26 3.766 -6.179 1.566 1.00 0.00 C ATOM 381 O VAL A 26 2.838 -6.934 1.432 1.00 0.00 O ATOM 382 CB VAL A 26 3.314 -3.909 0.683 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.179 -4.534 -0.137 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.917 -2.484 1.046 1.00 0.00 C ATOM 0 H VAL A 26 5.264 -3.466 2.204 1.00 0.00 H new ATOM 0 HA VAL A 26 2.685 -4.619 2.614 1.00 0.00 H new ATOM 0 HB VAL A 26 4.235 -3.905 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.019 -3.949 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.446 -5.556 -0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.264 -4.543 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.751 -1.909 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.001 -2.501 1.636 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.714 -2.021 1.627 1.00 0.00 H new ATOM 394 N ARG A 27 4.992 -6.574 1.362 1.00 0.00 N ATOM 395 CA ARG A 27 5.259 -7.989 0.967 1.00 0.00 C ATOM 396 C ARG A 27 4.880 -8.924 2.102 1.00 0.00 C ATOM 397 O ARG A 27 4.075 -9.805 1.944 1.00 0.00 O ATOM 398 CB ARG A 27 6.743 -8.190 0.673 1.00 0.00 C ATOM 399 CG ARG A 27 7.040 -7.792 -0.770 1.00 0.00 C ATOM 400 CD ARG A 27 6.845 -9.003 -1.683 1.00 0.00 C ATOM 401 NE ARG A 27 8.168 -9.609 -2.000 1.00 0.00 N ATOM 402 CZ ARG A 27 8.335 -10.262 -3.118 1.00 0.00 C ATOM 403 NH1 ARG A 27 8.059 -9.688 -4.257 1.00 0.00 N ATOM 404 NH2 ARG A 27 8.777 -11.491 -3.095 1.00 0.00 N ATOM 0 H ARG A 27 5.818 -5.983 1.451 1.00 0.00 H new ATOM 0 HA ARG A 27 4.668 -8.206 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.344 -7.590 1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.018 -9.232 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.380 -6.981 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.062 -7.421 -0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.204 -9.738 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.343 -8.701 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 27 8.943 -9.514 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.713 -8.729 -4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.190 -10.199 -5.130 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.991 -11.939 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.908 -12.002 -3.968 1.00 0.00 H new ATOM 418 N LYS A 28 5.472 -8.731 3.240 1.00 0.00 N ATOM 419 CA LYS A 28 5.178 -9.610 4.413 1.00 0.00 C ATOM 420 C LYS A 28 3.712 -9.447 4.792 1.00 0.00 C ATOM 421 O LYS A 28 3.039 -10.385 5.160 1.00 0.00 O ATOM 422 CB LYS A 28 6.061 -9.203 5.593 1.00 0.00 C ATOM 423 CG LYS A 28 7.513 -9.587 5.301 1.00 0.00 C ATOM 424 CD LYS A 28 8.195 -10.028 6.598 1.00 0.00 C ATOM 425 CE LYS A 28 8.110 -8.901 7.628 1.00 0.00 C ATOM 426 NZ LYS A 28 9.422 -8.201 7.710 1.00 0.00 N ATOM 0 H LYS A 28 6.156 -7.995 3.417 1.00 0.00 H new ATOM 0 HA LYS A 28 5.382 -10.650 4.158 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.985 -8.129 5.764 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.719 -9.696 6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.547 -10.393 4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.044 -8.740 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.715 -10.927 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.238 -10.281 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.327 -8.196 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.840 -9.306 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.363 -7.435 8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.159 -8.877 7.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.661 -7.802 6.780 1.00 0.00 H new ATOM 440 N THR A 29 3.222 -8.255 4.669 1.00 0.00 N ATOM 441 CA THR A 29 1.799 -7.974 4.973 1.00 0.00 C ATOM 442 C THR A 29 0.975 -8.690 3.915 1.00 0.00 C ATOM 443 O THR A 29 -0.100 -9.194 4.160 1.00 0.00 O ATOM 444 CB THR A 29 1.610 -6.464 4.869 1.00 0.00 C ATOM 445 OG1 THR A 29 1.921 -5.861 6.117 1.00 0.00 O ATOM 446 CG2 THR A 29 0.180 -6.101 4.469 1.00 0.00 C ATOM 0 H THR A 29 3.759 -7.444 4.363 1.00 0.00 H new ATOM 0 HA THR A 29 1.498 -8.311 5.965 1.00 0.00 H new ATOM 0 HB THR A 29 2.281 -6.093 4.094 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.801 -4.891 6.050 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.084 -5.017 4.405 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.050 -6.543 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.515 -6.483 5.217 1.00 0.00 H new ATOM 454 N VAL A 30 1.522 -8.756 2.741 1.00 0.00 N ATOM 455 CA VAL A 30 0.851 -9.449 1.620 1.00 0.00 C ATOM 456 C VAL A 30 0.900 -10.940 1.932 1.00 0.00 C ATOM 457 O VAL A 30 0.036 -11.709 1.556 1.00 0.00 O ATOM 458 CB VAL A 30 1.640 -9.148 0.338 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.440 -10.261 -0.677 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.175 -7.826 -0.279 1.00 0.00 C ATOM 0 H VAL A 30 2.427 -8.349 2.507 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.181 -9.125 1.488 1.00 0.00 H new ATOM 0 HB VAL A 30 2.696 -9.076 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.005 -10.035 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.790 -11.204 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.381 -10.344 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.745 -7.628 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.115 -7.891 -0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.334 -7.016 0.433 1.00 0.00 H new ATOM 470 N ARG A 31 1.918 -11.332 2.638 1.00 0.00 N ATOM 471 CA ARG A 31 2.078 -12.754 3.023 1.00 0.00 C ATOM 472 C ARG A 31 1.082 -13.073 4.133 1.00 0.00 C ATOM 473 O ARG A 31 0.598 -14.181 4.244 1.00 0.00 O ATOM 474 CB ARG A 31 3.498 -12.983 3.545 1.00 0.00 C ATOM 475 CG ARG A 31 4.515 -12.763 2.417 1.00 0.00 C ATOM 476 CD ARG A 31 5.891 -13.256 2.861 1.00 0.00 C ATOM 477 NE ARG A 31 5.768 -14.619 3.449 1.00 0.00 N ATOM 478 CZ ARG A 31 6.624 -15.021 4.347 1.00 0.00 C ATOM 479 NH1 ARG A 31 7.902 -14.843 4.154 1.00 0.00 N ATOM 480 NH2 ARG A 31 6.203 -15.599 5.438 1.00 0.00 N ATOM 0 H ARG A 31 2.659 -10.714 2.970 1.00 0.00 H new ATOM 0 HA ARG A 31 1.900 -13.395 2.160 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.705 -12.302 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.591 -13.996 3.937 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.199 -13.296 1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.563 -11.705 2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.573 -13.276 2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.315 -12.570 3.594 1.00 0.00 H new ATOM 0 HE ARG A 31 5.014 -15.238 3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.231 -14.390 3.301 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.572 -15.157 4.856 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.204 -15.737 5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.873 -15.913 6.140 1.00 0.00 H new ATOM 494 N ASN A 32 0.766 -12.110 4.961 1.00 0.00 N ATOM 495 CA ASN A 32 -0.207 -12.388 6.057 1.00 0.00 C ATOM 496 C ASN A 32 -1.586 -11.850 5.670 1.00 0.00 C ATOM 497 O ASN A 32 -2.525 -11.918 6.438 1.00 0.00 O ATOM 498 CB ASN A 32 0.257 -11.744 7.367 1.00 0.00 C ATOM 499 CG ASN A 32 0.589 -10.271 7.142 1.00 0.00 C ATOM 500 OD1 ASN A 32 1.724 -9.867 7.292 1.00 0.00 O ATOM 501 ND2 ASN A 32 -0.362 -9.443 6.799 1.00 0.00 N ATOM 0 H ASN A 32 1.133 -11.159 4.927 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.268 -13.466 6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.523 -11.837 8.123 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.134 -12.268 7.748 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.151 -8.455 6.657 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.315 -9.785 6.673 1.00 0.00 H new ATOM 508 N MET A 33 -1.721 -11.330 4.479 1.00 0.00 N ATOM 509 CA MET A 33 -3.047 -10.809 4.045 1.00 0.00 C ATOM 510 C MET A 33 -3.859 -11.940 3.415 1.00 0.00 C ATOM 511 O MET A 33 -3.353 -13.011 3.146 1.00 0.00 O ATOM 512 CB MET A 33 -2.865 -9.687 3.016 1.00 0.00 C ATOM 513 CG MET A 33 -2.821 -8.333 3.729 1.00 0.00 C ATOM 514 SD MET A 33 -3.491 -7.050 2.640 1.00 0.00 S ATOM 515 CE MET A 33 -5.202 -7.641 2.600 1.00 0.00 C ATOM 0 H MET A 33 -0.973 -11.244 3.791 1.00 0.00 H new ATOM 0 HA MET A 33 -3.572 -10.415 4.915 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.944 -9.842 2.454 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.684 -9.704 2.297 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.398 -8.378 4.652 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.795 -8.090 4.006 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.715 -7.213 1.739 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.210 -8.728 2.523 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.713 -7.338 3.514 1.00 0.00 H new ATOM 525 N GLN A 34 -5.114 -11.699 3.173 1.00 0.00 N ATOM 526 CA GLN A 34 -5.979 -12.738 2.555 1.00 0.00 C ATOM 527 C GLN A 34 -6.646 -12.131 1.324 1.00 0.00 C ATOM 528 O GLN A 34 -6.844 -10.936 1.262 1.00 0.00 O ATOM 529 CB GLN A 34 -7.051 -13.175 3.556 1.00 0.00 C ATOM 530 CG GLN A 34 -6.387 -13.619 4.860 1.00 0.00 C ATOM 531 CD GLN A 34 -6.873 -12.734 6.010 1.00 0.00 C ATOM 532 OE1 GLN A 34 -8.003 -12.286 6.010 1.00 0.00 O ATOM 533 NE2 GLN A 34 -6.064 -12.461 6.997 1.00 0.00 N ATOM 0 H GLN A 34 -5.583 -10.817 3.379 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.384 -13.607 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.739 -12.352 3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.640 -13.992 3.140 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.626 -14.663 5.065 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.303 -13.552 4.769 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.116 -12.836 6.998 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.380 -11.872 7.768 1.00 0.00 H new ATOM 542 N PRO A 35 -6.977 -12.964 0.377 1.00 0.00 N ATOM 543 CA PRO A 35 -7.624 -12.509 -0.858 1.00 0.00 C ATOM 544 C PRO A 35 -9.058 -12.091 -0.553 1.00 0.00 C ATOM 545 O PRO A 35 -9.858 -12.853 -0.047 1.00 0.00 O ATOM 546 CB PRO A 35 -7.552 -13.723 -1.783 1.00 0.00 C ATOM 547 CG PRO A 35 -7.357 -14.955 -0.865 1.00 0.00 C ATOM 548 CD PRO A 35 -6.759 -14.422 0.453 1.00 0.00 C ATOM 0 HA PRO A 35 -7.151 -11.640 -1.315 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.464 -13.818 -2.373 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.725 -13.627 -2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.306 -15.460 -0.685 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.691 -15.683 -1.328 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.255 -14.856 1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.700 -14.664 0.538 1.00 0.00 H new ATOM 556 N GLY A 36 -9.359 -10.859 -0.824 1.00 0.00 N ATOM 557 CA GLY A 36 -10.705 -10.318 -0.525 1.00 0.00 C ATOM 558 C GLY A 36 -10.561 -9.418 0.700 1.00 0.00 C ATOM 559 O GLY A 36 -11.500 -9.192 1.437 1.00 0.00 O ATOM 0 H GLY A 36 -8.716 -10.191 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.092 -9.755 -1.374 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.411 -11.125 -0.330 1.00 0.00 H new ATOM 563 N GLU A 37 -9.369 -8.918 0.928 1.00 0.00 N ATOM 564 CA GLU A 37 -9.139 -8.046 2.114 1.00 0.00 C ATOM 565 C GLU A 37 -8.611 -6.683 1.664 1.00 0.00 C ATOM 566 O GLU A 37 -8.529 -6.399 0.487 1.00 0.00 O ATOM 567 CB GLU A 37 -8.119 -8.710 3.036 1.00 0.00 C ATOM 568 CG GLU A 37 -8.846 -9.590 4.056 1.00 0.00 C ATOM 569 CD GLU A 37 -7.999 -9.715 5.323 1.00 0.00 C ATOM 570 OE1 GLU A 37 -6.788 -9.804 5.197 1.00 0.00 O ATOM 571 OE2 GLU A 37 -8.575 -9.722 6.398 1.00 0.00 O ATOM 0 H GLU A 37 -8.549 -9.078 0.342 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.079 -7.905 2.647 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.423 -9.312 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.530 -7.951 3.550 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.817 -9.158 4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.032 -10.577 3.632 1.00 0.00 H new ATOM 578 N THR A 38 -8.260 -5.833 2.592 1.00 0.00 N ATOM 579 CA THR A 38 -7.746 -4.488 2.207 1.00 0.00 C ATOM 580 C THR A 38 -6.560 -4.097 3.094 1.00 0.00 C ATOM 581 O THR A 38 -6.410 -4.574 4.201 1.00 0.00 O ATOM 582 CB THR A 38 -8.866 -3.459 2.358 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.713 -3.837 3.436 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.674 -3.408 1.063 1.00 0.00 C ATOM 0 H THR A 38 -8.307 -6.011 3.595 1.00 0.00 H new ATOM 0 HA THR A 38 -7.410 -4.517 1.170 1.00 0.00 H new ATOM 0 HB THR A 38 -8.441 -2.476 2.563 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.431 -3.177 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.475 -2.676 1.163 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.022 -3.122 0.238 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.103 -4.390 0.863 1.00 0.00 H new ATOM 592 N LEU A 39 -5.713 -3.232 2.602 1.00 0.00 N ATOM 593 CA LEU A 39 -4.522 -2.799 3.387 1.00 0.00 C ATOM 594 C LEU A 39 -4.222 -1.327 3.072 1.00 0.00 C ATOM 595 O LEU A 39 -3.892 -0.984 1.956 1.00 0.00 O ATOM 596 CB LEU A 39 -3.324 -3.662 2.971 1.00 0.00 C ATOM 597 CG LEU A 39 -2.017 -3.038 3.471 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.684 -3.588 4.852 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.885 -3.384 2.501 1.00 0.00 C ATOM 0 H LEU A 39 -5.797 -2.803 1.680 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.711 -2.912 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.433 -4.667 3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.297 -3.758 1.886 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.132 -1.956 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.754 -3.143 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.490 -3.344 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.570 -4.670 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.046 -2.941 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.773 -4.467 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.121 -2.991 1.512 1.00 0.00 H new ATOM 611 N LEU A 40 -4.299 -0.458 4.042 1.00 0.00 N ATOM 612 CA LEU A 40 -3.986 0.971 3.775 1.00 0.00 C ATOM 613 C LEU A 40 -2.484 1.159 3.956 1.00 0.00 C ATOM 614 O LEU A 40 -1.871 0.524 4.790 1.00 0.00 O ATOM 615 CB LEU A 40 -4.744 1.865 4.760 1.00 0.00 C ATOM 616 CG LEU A 40 -4.203 3.294 4.675 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.649 3.931 3.358 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.749 4.112 5.848 1.00 0.00 C ATOM 0 H LEU A 40 -4.564 -0.675 5.003 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.286 1.244 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.810 1.854 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.632 1.482 5.775 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.114 3.275 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.264 4.949 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.264 3.347 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.738 3.952 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.366 5.131 5.791 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.838 4.131 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.433 3.658 6.787 1.00 0.00 H new ATOM 630 N ILE A 41 -1.875 1.991 3.164 1.00 0.00 N ATOM 631 CA ILE A 41 -0.403 2.167 3.283 1.00 0.00 C ATOM 632 C ILE A 41 -0.024 3.640 3.154 1.00 0.00 C ATOM 633 O ILE A 41 -0.307 4.272 2.158 1.00 0.00 O ATOM 634 CB ILE A 41 0.259 1.383 2.151 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.462 0.033 1.997 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.742 1.177 2.470 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.434 -0.973 1.270 1.00 0.00 C ATOM 0 H ILE A 41 -2.328 2.554 2.444 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.071 1.808 4.257 1.00 0.00 H new ATOM 0 HB ILE A 41 0.185 1.934 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.733 -0.355 2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.390 0.171 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.214 0.618 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.230 2.146 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.840 0.620 3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.092 -1.923 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.683 -0.590 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.350 -1.124 1.842 1.00 0.00 H new ATOM 649 N ILE A 42 0.647 4.194 4.129 1.00 0.00 N ATOM 650 CA ILE A 42 1.060 5.603 4.006 1.00 0.00 C ATOM 651 C ILE A 42 2.502 5.614 3.566 1.00 0.00 C ATOM 652 O ILE A 42 3.210 4.642 3.719 1.00 0.00 O ATOM 653 CB ILE A 42 0.948 6.312 5.343 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.368 5.918 6.009 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.988 7.827 5.110 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.775 7.009 6.988 1.00 0.00 C ATOM 0 H ILE A 42 0.920 3.728 4.994 1.00 0.00 H new ATOM 0 HA ILE A 42 0.418 6.116 3.290 1.00 0.00 H new ATOM 0 HB ILE A 42 1.776 6.026 5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.144 5.779 5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.256 4.967 6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.908 8.344 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.928 8.096 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.156 8.119 4.469 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.714 6.735 7.468 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.000 7.125 7.746 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.902 7.950 6.452 1.00 0.00 H new ATOM 668 N ALA A 43 2.948 6.688 3.026 1.00 0.00 N ATOM 669 CA ALA A 43 4.353 6.736 2.584 1.00 0.00 C ATOM 670 C ALA A 43 4.762 8.179 2.382 1.00 0.00 C ATOM 671 O ALA A 43 4.148 8.905 1.638 1.00 0.00 O ATOM 672 CB ALA A 43 4.501 5.972 1.266 1.00 0.00 C ATOM 0 H ALA A 43 2.406 7.538 2.869 1.00 0.00 H new ATOM 0 HA ALA A 43 4.991 6.277 3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.540 6.008 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.202 4.934 1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.866 6.429 0.507 1.00 0.00 H new ATOM 678 N ASP A 44 5.822 8.591 2.987 1.00 0.00 N ATOM 679 CA ASP A 44 6.283 9.973 2.756 1.00 0.00 C ATOM 680 C ASP A 44 7.447 9.848 1.808 1.00 0.00 C ATOM 681 O ASP A 44 7.758 10.746 1.051 1.00 0.00 O ATOM 682 CB ASP A 44 6.697 10.669 4.059 1.00 0.00 C ATOM 683 CG ASP A 44 7.944 10.027 4.661 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.831 9.660 3.910 1.00 0.00 O ATOM 685 OD2 ASP A 44 7.995 9.923 5.875 1.00 0.00 O ATOM 0 H ASP A 44 6.389 8.037 3.629 1.00 0.00 H new ATOM 0 HA ASP A 44 5.485 10.592 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.887 11.725 3.865 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.878 10.619 4.776 1.00 0.00 H new ATOM 690 N ASP A 45 8.072 8.698 1.811 1.00 0.00 N ATOM 691 CA ASP A 45 9.185 8.487 0.867 1.00 0.00 C ATOM 692 C ASP A 45 8.626 8.652 -0.555 1.00 0.00 C ATOM 693 O ASP A 45 7.502 8.278 -0.818 1.00 0.00 O ATOM 694 CB ASP A 45 9.714 7.090 1.097 1.00 0.00 C ATOM 695 CG ASP A 45 10.428 6.558 -0.148 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.604 6.843 -0.298 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.789 5.869 -0.923 1.00 0.00 O ATOM 0 H ASP A 45 7.856 7.911 2.422 1.00 0.00 H new ATOM 0 HA ASP A 45 9.998 9.200 1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.403 7.093 1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.891 6.425 1.360 1.00 0.00 H new ATOM 702 N PRO A 46 9.409 9.236 -1.421 1.00 0.00 N ATOM 703 CA PRO A 46 8.997 9.493 -2.814 1.00 0.00 C ATOM 704 C PRO A 46 9.090 8.215 -3.642 1.00 0.00 C ATOM 705 O PRO A 46 8.497 8.093 -4.695 1.00 0.00 O ATOM 706 CB PRO A 46 10.010 10.531 -3.299 1.00 0.00 C ATOM 707 CG PRO A 46 11.250 10.395 -2.383 1.00 0.00 C ATOM 708 CD PRO A 46 10.777 9.682 -1.102 1.00 0.00 C ATOM 0 HA PRO A 46 7.966 9.836 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.276 10.356 -4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.593 11.537 -3.241 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.035 9.823 -2.877 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.668 11.374 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.423 8.840 -0.853 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.787 10.355 -0.245 1.00 0.00 H new ATOM 716 N ALA A 47 9.838 7.268 -3.168 1.00 0.00 N ATOM 717 CA ALA A 47 9.992 5.987 -3.918 1.00 0.00 C ATOM 718 C ALA A 47 8.907 4.995 -3.496 1.00 0.00 C ATOM 719 O ALA A 47 8.828 3.900 -4.011 1.00 0.00 O ATOM 720 CB ALA A 47 11.369 5.388 -3.630 1.00 0.00 C ATOM 0 H ALA A 47 10.354 7.320 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 47 9.895 6.188 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.481 4.452 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.143 6.088 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.466 5.196 -2.561 1.00 0.00 H new ATOM 726 N THR A 48 8.074 5.360 -2.562 1.00 0.00 N ATOM 727 CA THR A 48 7.005 4.422 -2.120 1.00 0.00 C ATOM 728 C THR A 48 5.782 4.580 -3.022 1.00 0.00 C ATOM 729 O THR A 48 5.156 3.615 -3.411 1.00 0.00 O ATOM 730 CB THR A 48 6.606 4.737 -0.678 1.00 0.00 C ATOM 731 OG1 THR A 48 6.664 6.140 -0.468 1.00 0.00 O ATOM 732 CG2 THR A 48 7.562 4.036 0.282 1.00 0.00 C ATOM 0 H THR A 48 8.087 6.263 -2.087 1.00 0.00 H new ATOM 0 HA THR A 48 7.379 3.400 -2.181 1.00 0.00 H new ATOM 0 HB THR A 48 5.591 4.384 -0.497 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.600 6.431 -0.462 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.276 4.262 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.515 2.959 0.120 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.579 4.386 0.103 1.00 0.00 H new ATOM 740 N THR A 49 5.432 5.789 -3.357 1.00 0.00 N ATOM 741 CA THR A 49 4.245 5.990 -4.235 1.00 0.00 C ATOM 742 C THR A 49 4.447 5.194 -5.514 1.00 0.00 C ATOM 743 O THR A 49 3.508 4.745 -6.138 1.00 0.00 O ATOM 744 CB THR A 49 4.090 7.469 -4.612 1.00 0.00 C ATOM 745 OG1 THR A 49 4.799 7.721 -5.817 1.00 0.00 O ATOM 746 CG2 THR A 49 4.648 8.360 -3.507 1.00 0.00 C ATOM 0 H THR A 49 5.911 6.641 -3.065 1.00 0.00 H new ATOM 0 HA THR A 49 3.354 5.662 -3.700 1.00 0.00 H new ATOM 0 HB THR A 49 3.031 7.691 -4.746 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.701 8.665 -6.063 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.531 9.406 -3.789 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.107 8.172 -2.580 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.706 8.140 -3.361 1.00 0.00 H new ATOM 754 N ARG A 50 5.670 5.052 -5.933 1.00 0.00 N ATOM 755 CA ARG A 50 5.934 4.314 -7.202 1.00 0.00 C ATOM 756 C ARG A 50 6.311 2.852 -6.949 1.00 0.00 C ATOM 757 O ARG A 50 5.981 1.976 -7.725 1.00 0.00 O ATOM 758 CB ARG A 50 7.081 4.999 -7.939 1.00 0.00 C ATOM 759 CG ARG A 50 6.588 6.315 -8.545 1.00 0.00 C ATOM 760 CD ARG A 50 7.401 6.635 -9.800 1.00 0.00 C ATOM 761 NE ARG A 50 6.475 6.867 -10.944 1.00 0.00 N ATOM 762 CZ ARG A 50 6.150 8.084 -11.286 1.00 0.00 C ATOM 763 NH1 ARG A 50 5.119 8.663 -10.734 1.00 0.00 N ATOM 764 NH2 ARG A 50 6.857 8.722 -12.178 1.00 0.00 N ATOM 0 H ARG A 50 6.497 5.412 -5.457 1.00 0.00 H new ATOM 0 HA ARG A 50 5.020 4.327 -7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.906 5.190 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.464 4.346 -8.724 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.530 6.239 -8.794 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.687 7.122 -7.819 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.017 7.518 -9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.079 5.812 -10.027 1.00 0.00 H new ATOM 0 HE ARG A 50 6.095 6.074 -11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.568 8.165 -10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.865 9.614 -11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.664 8.270 -12.608 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.603 9.673 -12.445 1.00 0.00 H new ATOM 778 N ASP A 51 7.048 2.585 -5.915 1.00 0.00 N ATOM 779 CA ASP A 51 7.502 1.183 -5.666 1.00 0.00 C ATOM 780 C ASP A 51 6.503 0.377 -4.831 1.00 0.00 C ATOM 781 O ASP A 51 6.222 -0.765 -5.132 1.00 0.00 O ATOM 782 CB ASP A 51 8.838 1.228 -4.925 1.00 0.00 C ATOM 783 CG ASP A 51 9.892 1.898 -5.809 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.779 3.092 -6.029 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.794 1.205 -6.250 1.00 0.00 O ATOM 0 H ASP A 51 7.359 3.272 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 51 7.594 0.689 -6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.729 1.779 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.155 0.218 -4.665 1.00 0.00 H new ATOM 790 N ILE A 52 5.991 0.927 -3.772 1.00 0.00 N ATOM 791 CA ILE A 52 5.047 0.141 -2.923 1.00 0.00 C ATOM 792 C ILE A 52 3.892 -0.404 -3.760 1.00 0.00 C ATOM 793 O ILE A 52 3.604 -1.584 -3.703 1.00 0.00 O ATOM 794 CB ILE A 52 4.536 1.019 -1.772 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.461 0.843 -0.568 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.107 0.623 -1.373 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.815 1.467 0.669 1.00 0.00 C ATOM 0 H ILE A 52 6.179 1.878 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 52 5.574 -0.714 -2.500 1.00 0.00 H new ATOM 0 HB ILE A 52 4.528 2.059 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.653 -0.216 -0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.424 1.314 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.768 1.260 -0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.443 0.746 -2.229 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.094 -0.418 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.475 1.341 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.646 2.530 0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.863 0.976 0.869 1.00 0.00 H new ATOM 809 N PRO A 53 3.264 0.446 -4.510 1.00 0.00 N ATOM 810 CA PRO A 53 2.145 0.032 -5.355 1.00 0.00 C ATOM 811 C PRO A 53 2.656 -0.764 -6.535 1.00 0.00 C ATOM 812 O PRO A 53 2.185 -1.842 -6.807 1.00 0.00 O ATOM 813 CB PRO A 53 1.510 1.338 -5.792 1.00 0.00 C ATOM 814 CG PRO A 53 2.583 2.433 -5.612 1.00 0.00 C ATOM 815 CD PRO A 53 3.606 1.879 -4.606 1.00 0.00 C ATOM 0 HA PRO A 53 1.431 -0.613 -4.843 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.184 1.282 -6.831 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.627 1.559 -5.193 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.062 2.668 -6.563 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.137 3.357 -5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.629 2.024 -4.954 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.525 2.375 -3.639 1.00 0.00 H new ATOM 823 N GLY A 54 3.631 -0.266 -7.230 1.00 0.00 N ATOM 824 CA GLY A 54 4.159 -1.050 -8.371 1.00 0.00 C ATOM 825 C GLY A 54 4.434 -2.464 -7.880 1.00 0.00 C ATOM 826 O GLY A 54 4.415 -3.411 -8.639 1.00 0.00 O ATOM 0 H GLY A 54 4.080 0.635 -7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.440 -1.064 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.072 -0.596 -8.756 1.00 0.00 H new ATOM 830 N PHE A 55 4.663 -2.620 -6.602 1.00 0.00 N ATOM 831 CA PHE A 55 4.904 -3.981 -6.067 1.00 0.00 C ATOM 832 C PHE A 55 3.563 -4.715 -5.944 1.00 0.00 C ATOM 833 O PHE A 55 3.409 -5.819 -6.427 1.00 0.00 O ATOM 834 CB PHE A 55 5.594 -3.875 -4.695 1.00 0.00 C ATOM 835 CG PHE A 55 5.173 -5.024 -3.805 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.102 -6.327 -4.316 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.826 -4.779 -2.477 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.681 -7.375 -3.499 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.412 -5.831 -1.660 1.00 0.00 C ATOM 840 CZ PHE A 55 4.336 -7.129 -2.171 1.00 0.00 C ATOM 0 H PHE A 55 4.692 -1.867 -5.915 1.00 0.00 H new ATOM 0 HA PHE A 55 5.553 -4.542 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.676 -3.883 -4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.336 -2.927 -4.223 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.374 -6.519 -5.343 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.878 -3.775 -2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.622 -8.378 -3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.150 -5.642 -0.630 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.010 -7.941 -1.538 1.00 0.00 H new ATOM 850 N CYS A 56 2.598 -4.130 -5.288 1.00 0.00 N ATOM 851 CA CYS A 56 1.296 -4.830 -5.137 1.00 0.00 C ATOM 852 C CYS A 56 0.770 -5.247 -6.503 1.00 0.00 C ATOM 853 O CYS A 56 0.188 -6.296 -6.654 1.00 0.00 O ATOM 854 CB CYS A 56 0.300 -3.896 -4.466 1.00 0.00 C ATOM 855 SG CYS A 56 0.616 -3.888 -2.685 1.00 0.00 S ATOM 0 H CYS A 56 2.655 -3.208 -4.855 1.00 0.00 H new ATOM 0 HA CYS A 56 1.432 -5.721 -4.524 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.396 -2.888 -4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.720 -4.225 -4.667 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.210 -4.699 -2.094 1.00 0.00 H new ATOM 861 N THR A 57 0.964 -4.441 -7.500 1.00 0.00 N ATOM 862 CA THR A 57 0.459 -4.811 -8.853 1.00 0.00 C ATOM 863 C THR A 57 1.209 -6.038 -9.372 1.00 0.00 C ATOM 864 O THR A 57 0.672 -6.843 -10.107 1.00 0.00 O ATOM 865 CB THR A 57 0.685 -3.648 -9.816 1.00 0.00 C ATOM 866 OG1 THR A 57 0.123 -2.463 -9.267 1.00 0.00 O ATOM 867 CG2 THR A 57 0.019 -3.963 -11.153 1.00 0.00 C ATOM 0 H THR A 57 1.448 -3.545 -7.443 1.00 0.00 H new ATOM 0 HA THR A 57 -0.605 -5.037 -8.785 1.00 0.00 H new ATOM 0 HB THR A 57 1.754 -3.501 -9.970 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.269 -1.716 -9.884 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.178 -3.134 -11.843 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.453 -4.872 -11.570 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.051 -4.108 -11.001 1.00 0.00 H new ATOM 875 N PHE A 58 2.452 -6.173 -9.014 1.00 0.00 N ATOM 876 CA PHE A 58 3.254 -7.331 -9.505 1.00 0.00 C ATOM 877 C PHE A 58 2.846 -8.632 -8.798 1.00 0.00 C ATOM 878 O PHE A 58 2.956 -9.702 -9.362 1.00 0.00 O ATOM 879 CB PHE A 58 4.737 -7.059 -9.242 1.00 0.00 C ATOM 880 CG PHE A 58 5.574 -7.826 -10.236 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.629 -9.224 -10.173 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.295 -7.140 -11.221 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.405 -9.936 -11.095 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.070 -7.853 -12.143 1.00 0.00 C ATOM 885 CZ PHE A 58 7.126 -9.250 -12.081 1.00 0.00 C ATOM 0 H PHE A 58 2.952 -5.530 -8.400 1.00 0.00 H new ATOM 0 HA PHE A 58 3.070 -7.450 -10.573 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.942 -5.992 -9.325 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.997 -7.356 -8.226 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.073 -9.753 -9.413 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.253 -6.062 -11.269 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.448 -11.014 -11.046 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.626 -7.324 -12.903 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.725 -9.799 -12.793 1.00 0.00 H new ATOM 895 N MET A 59 2.398 -8.567 -7.572 1.00 0.00 N ATOM 896 CA MET A 59 2.023 -9.831 -6.866 1.00 0.00 C ATOM 897 C MET A 59 0.551 -10.194 -7.105 1.00 0.00 C ATOM 898 O MET A 59 0.046 -11.137 -6.532 1.00 0.00 O ATOM 899 CB MET A 59 2.277 -9.687 -5.372 1.00 0.00 C ATOM 900 CG MET A 59 3.694 -10.163 -5.041 1.00 0.00 C ATOM 901 SD MET A 59 3.876 -11.906 -5.498 1.00 0.00 S ATOM 902 CE MET A 59 5.680 -11.914 -5.641 1.00 0.00 C ATOM 0 H MET A 59 2.276 -7.709 -7.034 1.00 0.00 H new ATOM 0 HA MET A 59 2.641 -10.633 -7.269 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.153 -8.647 -5.071 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.547 -10.270 -4.811 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.425 -9.558 -5.577 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.892 -10.034 -3.977 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.018 -12.912 -5.921 1.00 0.00 H new ATOM 0 HE2 MET A 59 5.988 -11.199 -6.404 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.122 -11.636 -4.684 1.00 0.00 H new ATOM 912 N GLU A 60 -0.130 -9.469 -7.954 1.00 0.00 N ATOM 913 CA GLU A 60 -1.566 -9.786 -8.250 1.00 0.00 C ATOM 914 C GLU A 60 -2.492 -9.161 -7.199 1.00 0.00 C ATOM 915 O GLU A 60 -3.585 -9.635 -6.961 1.00 0.00 O ATOM 916 CB GLU A 60 -1.778 -11.305 -8.277 1.00 0.00 C ATOM 917 CG GLU A 60 -0.615 -11.977 -9.011 1.00 0.00 C ATOM 918 CD GLU A 60 -1.099 -12.502 -10.364 1.00 0.00 C ATOM 919 OE1 GLU A 60 -1.683 -11.727 -11.103 1.00 0.00 O ATOM 920 OE2 GLU A 60 -0.878 -13.670 -10.638 1.00 0.00 O ATOM 0 H GLU A 60 0.246 -8.666 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.809 -9.367 -9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.849 -11.690 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.719 -11.541 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.198 -11.265 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.218 -12.797 -8.412 1.00 0.00 H new ATOM 927 N HIS A 61 -2.072 -8.094 -6.584 1.00 0.00 N ATOM 928 CA HIS A 61 -2.919 -7.419 -5.569 1.00 0.00 C ATOM 929 C HIS A 61 -3.658 -6.270 -6.246 1.00 0.00 C ATOM 930 O HIS A 61 -3.434 -5.986 -7.406 1.00 0.00 O ATOM 931 CB HIS A 61 -2.023 -6.878 -4.462 1.00 0.00 C ATOM 932 CG HIS A 61 -1.154 -7.990 -3.960 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.391 -9.309 -4.302 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.046 -8.002 -3.152 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.447 -10.055 -3.711 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.400 -9.310 -2.995 1.00 0.00 N ATOM 0 H HIS A 61 -1.165 -7.656 -6.745 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.638 -8.117 -5.141 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.409 -6.060 -4.839 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.628 -6.475 -3.650 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.146 -9.652 -4.896 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.410 -7.130 -2.706 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.379 -11.129 -3.803 1.00 0.00 H new ATOM 944 N GLU A 62 -4.548 -5.610 -5.559 1.00 0.00 N ATOM 945 CA GLU A 62 -5.284 -4.505 -6.219 1.00 0.00 C ATOM 946 C GLU A 62 -5.093 -3.202 -5.463 1.00 0.00 C ATOM 947 O GLU A 62 -5.134 -3.157 -4.254 1.00 0.00 O ATOM 948 CB GLU A 62 -6.773 -4.826 -6.243 1.00 0.00 C ATOM 949 CG GLU A 62 -7.110 -5.627 -7.502 1.00 0.00 C ATOM 950 CD GLU A 62 -7.453 -7.067 -7.114 1.00 0.00 C ATOM 951 OE1 GLU A 62 -6.602 -7.722 -6.536 1.00 0.00 O ATOM 952 OE2 GLU A 62 -8.561 -7.489 -7.402 1.00 0.00 O ATOM 0 H GLU A 62 -4.793 -5.786 -4.585 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.896 -4.398 -7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.046 -5.396 -5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.354 -3.904 -6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.951 -5.169 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.265 -5.616 -8.190 1.00 0.00 H new ATOM 959 N LEU A 63 -4.947 -2.136 -6.186 1.00 0.00 N ATOM 960 CA LEU A 63 -4.821 -0.801 -5.546 1.00 0.00 C ATOM 961 C LEU A 63 -6.249 -0.324 -5.322 1.00 0.00 C ATOM 962 O LEU A 63 -6.921 0.085 -6.248 1.00 0.00 O ATOM 963 CB LEU A 63 -4.066 0.150 -6.491 1.00 0.00 C ATOM 964 CG LEU A 63 -4.453 1.612 -6.221 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.814 2.086 -4.914 1.00 0.00 C ATOM 966 CD2 LEU A 63 -3.950 2.484 -7.373 1.00 0.00 C ATOM 0 H LEU A 63 -4.909 -2.130 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.265 -0.835 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.992 0.024 -6.358 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.292 -0.105 -7.526 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.537 1.690 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.092 3.123 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.164 1.463 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.729 2.009 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.221 3.523 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.866 2.400 -7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.404 2.151 -8.306 1.00 0.00 H new ATOM 978 N VAL A 64 -6.751 -0.421 -4.125 1.00 0.00 N ATOM 979 CA VAL A 64 -8.143 -0.031 -3.901 1.00 0.00 C ATOM 980 C VAL A 64 -8.293 1.496 -3.970 1.00 0.00 C ATOM 981 O VAL A 64 -9.144 1.994 -4.680 1.00 0.00 O ATOM 982 CB VAL A 64 -8.559 -0.609 -2.559 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.933 -0.108 -2.202 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.622 -2.130 -2.669 1.00 0.00 C ATOM 0 H VAL A 64 -6.249 -0.754 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.800 -0.424 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.839 -0.309 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.233 -0.522 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.919 0.980 -2.140 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.644 -0.419 -2.968 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.920 -2.552 -1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.350 -2.410 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.641 -2.516 -2.946 1.00 0.00 H new ATOM 994 N ALA A 65 -7.486 2.261 -3.275 1.00 0.00 N ATOM 995 CA ALA A 65 -7.645 3.749 -3.384 1.00 0.00 C ATOM 996 C ALA A 65 -6.288 4.454 -3.253 1.00 0.00 C ATOM 997 O ALA A 65 -5.536 4.200 -2.365 1.00 0.00 O ATOM 998 CB ALA A 65 -8.576 4.240 -2.273 1.00 0.00 C ATOM 0 H ALA A 65 -6.745 1.935 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.067 3.983 -4.361 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.694 5.321 -2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.549 3.760 -2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.148 3.989 -1.302 1.00 0.00 H new ATOM 1004 N LYS A 66 -5.943 5.338 -4.130 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.632 5.998 -3.985 1.00 0.00 C ATOM 1006 C LYS A 66 -4.785 7.366 -3.348 1.00 0.00 C ATOM 1007 O LYS A 66 -5.843 7.963 -3.346 1.00 0.00 O ATOM 1008 CB LYS A 66 -4.006 6.174 -5.346 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.417 5.015 -6.225 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.676 5.373 -7.017 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.320 5.532 -8.497 1.00 0.00 C ATOM 1012 NZ LYS A 66 -6.397 4.932 -9.333 1.00 0.00 N ATOM 0 H LYS A 66 -6.503 5.630 -4.931 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.004 5.373 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.327 7.116 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.920 6.216 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.607 4.763 -6.910 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.602 4.133 -5.613 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.429 4.594 -6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.108 6.298 -6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.200 6.587 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.368 5.045 -8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.156 5.039 -10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.491 3.922 -9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.297 5.416 -9.139 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.714 7.862 -2.822 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.735 9.197 -2.187 1.00 0.00 C ATOM 1028 C GLU A 67 -2.463 9.960 -2.568 1.00 0.00 C ATOM 1029 O GLU A 67 -1.372 9.619 -2.156 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.803 9.023 -0.683 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.264 9.004 -0.230 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.793 10.436 -0.152 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -4.982 11.343 -0.061 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.001 10.603 -0.184 1.00 0.00 O ATOM 0 H GLU A 67 -2.809 7.392 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.603 9.761 -2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.310 8.095 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.270 9.835 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.865 8.421 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.348 8.521 0.743 1.00 0.00 H new ATOM 1041 N THR A 68 -2.600 10.991 -3.349 1.00 0.00 N ATOM 1042 CA THR A 68 -1.412 11.791 -3.764 1.00 0.00 C ATOM 1043 C THR A 68 -1.775 13.268 -3.673 1.00 0.00 C ATOM 1044 O THR A 68 -1.307 14.086 -4.439 1.00 0.00 O ATOM 1045 CB THR A 68 -1.036 11.444 -5.208 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.097 11.820 -6.074 1.00 0.00 O ATOM 1047 CG2 THR A 68 -0.784 9.941 -5.328 1.00 0.00 C ATOM 0 H THR A 68 -3.491 11.319 -3.722 1.00 0.00 H new ATOM 0 HA THR A 68 -0.565 11.570 -3.115 1.00 0.00 H new ATOM 0 HB THR A 68 -0.130 11.982 -5.486 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.858 11.600 -6.999 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.517 9.698 -6.356 1.00 0.00 H new ATOM 0 HG22 THR A 68 0.031 9.655 -4.664 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.687 9.397 -5.049 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.619 13.613 -2.738 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.029 15.040 -2.594 1.00 0.00 C ATOM 1057 C ASP A 69 -1.940 15.830 -1.876 1.00 0.00 C ATOM 1058 O ASP A 69 -2.098 16.992 -1.560 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.320 15.114 -1.786 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.394 14.255 -2.454 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.598 14.418 -3.647 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -5.994 13.448 -1.765 1.00 0.00 O ATOM 0 H ASP A 69 -3.042 12.970 -2.069 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.185 15.467 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.144 14.767 -0.768 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.658 16.148 -1.716 1.00 0.00 H new ATOM 1067 N GLY A 70 -0.838 15.204 -1.620 1.00 0.00 N ATOM 1068 CA GLY A 70 0.273 15.878 -0.932 1.00 0.00 C ATOM 1069 C GLY A 70 0.753 14.998 0.199 1.00 0.00 C ATOM 1070 O GLY A 70 -0.008 14.536 1.026 1.00 0.00 O ATOM 0 H GLY A 70 -0.660 14.230 -1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.087 16.072 -1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.053 16.844 -0.546 1.00 0.00 H new ATOM 1074 N LEU A 71 2.012 14.764 0.209 1.00 0.00 N ATOM 1075 CA LEU A 71 2.631 13.905 1.249 1.00 0.00 C ATOM 1076 C LEU A 71 1.931 14.107 2.601 1.00 0.00 C ATOM 1077 O LEU A 71 1.501 15.195 2.928 1.00 0.00 O ATOM 1078 CB LEU A 71 4.110 14.255 1.403 1.00 0.00 C ATOM 1079 CG LEU A 71 4.856 13.912 0.124 1.00 0.00 C ATOM 1080 CD1 LEU A 71 6.024 14.882 -0.068 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.395 12.484 0.225 1.00 0.00 C ATOM 0 H LEU A 71 2.668 15.138 -0.476 1.00 0.00 H new ATOM 0 HA LEU A 71 2.526 12.865 0.939 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.221 15.316 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.537 13.707 2.242 1.00 0.00 H new ATOM 0 HG LEU A 71 4.178 13.992 -0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.557 14.633 -0.986 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.643 15.901 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.705 14.804 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.931 12.232 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.073 12.410 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.565 11.791 0.362 1.00 0.00 H new ATOM 1093 N PRO A 72 1.864 13.036 3.345 1.00 0.00 N ATOM 1094 CA PRO A 72 2.398 11.745 2.904 1.00 0.00 C ATOM 1095 C PRO A 72 1.371 11.068 1.998 1.00 0.00 C ATOM 1096 O PRO A 72 0.178 11.229 2.160 1.00 0.00 O ATOM 1097 CB PRO A 72 2.547 10.950 4.186 1.00 0.00 C ATOM 1098 CG PRO A 72 1.540 11.569 5.174 1.00 0.00 C ATOM 1099 CD PRO A 72 1.265 13.008 4.689 1.00 0.00 C ATOM 0 HA PRO A 72 3.334 11.831 2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.335 9.894 4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.565 11.014 4.571 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.618 10.988 5.201 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.944 11.573 6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.197 13.224 4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.721 13.748 5.347 1.00 0.00 H new ATOM 1107 N TYR A 73 1.827 10.312 1.060 1.00 0.00 N ATOM 1108 CA TYR A 73 0.894 9.609 0.139 1.00 0.00 C ATOM 1109 C TYR A 73 0.212 8.459 0.857 1.00 0.00 C ATOM 1110 O TYR A 73 0.670 8.000 1.881 1.00 0.00 O ATOM 1111 CB TYR A 73 1.652 8.970 -0.997 1.00 0.00 C ATOM 1112 CG TYR A 73 2.764 9.846 -1.460 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.519 10.931 -2.301 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.053 9.526 -1.076 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.584 11.709 -2.751 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.127 10.286 -1.526 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.897 11.388 -2.366 1.00 0.00 C ATOM 1118 OH TYR A 73 5.957 12.148 -2.818 1.00 0.00 O ATOM 0 H TYR A 73 2.817 10.143 0.882 1.00 0.00 H new ATOM 0 HA TYR A 73 0.180 10.352 -0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.052 8.008 -0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.972 8.772 -1.826 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.509 11.167 -2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.226 8.683 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.401 12.557 -3.394 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.134 10.030 -1.231 1.00 0.00 H new ATOM 0 HH TYR A 73 5.660 13.070 -2.963 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.838 7.933 0.290 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.489 6.769 0.897 1.00 0.00 C ATOM 1130 C ARG A 74 -2.061 5.939 -0.217 1.00 0.00 C ATOM 1131 O ARG A 74 -2.402 6.437 -1.256 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.583 7.198 1.847 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.966 7.465 3.203 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.748 8.563 3.927 1.00 0.00 C ATOM 1135 NE ARG A 74 -4.139 8.096 4.186 1.00 0.00 N ATOM 1136 CZ ARG A 74 -4.916 8.773 4.988 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -5.253 9.998 4.690 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -5.357 8.224 6.086 1.00 0.00 N ATOM 0 H ARG A 74 -1.266 8.271 -0.572 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.766 6.193 1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.079 8.094 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.344 6.421 1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.968 6.552 3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.925 7.766 3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.257 8.814 4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.764 9.470 3.323 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.484 7.248 3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.910 10.427 3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.860 10.527 5.316 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.095 7.266 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.964 8.753 6.712 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.167 4.682 -0.016 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.707 3.828 -1.087 1.00 0.00 C ATOM 1154 C TYR A 75 -3.344 2.612 -0.469 1.00 0.00 C ATOM 1155 O TYR A 75 -2.703 1.865 0.244 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.597 3.359 -2.011 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.477 4.359 -2.051 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.597 5.552 -2.765 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.700 4.052 -1.400 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.484 6.440 -2.829 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.785 4.936 -1.447 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.678 6.131 -2.167 1.00 0.00 C ATOM 1163 OH TYR A 75 2.751 6.995 -2.237 1.00 0.00 O ATOM 0 H TYR A 75 -1.905 4.199 0.843 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.434 4.406 -1.657 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.218 2.395 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.993 3.209 -3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.523 5.790 -3.268 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.785 3.126 -0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.397 7.360 -3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.702 4.696 -0.929 1.00 0.00 H new ATOM 0 HH TYR A 75 3.465 6.679 -1.645 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.578 2.365 -0.743 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.173 1.176 -0.180 1.00 0.00 C ATOM 1175 C LEU A 76 -4.909 0.054 -1.164 1.00 0.00 C ATOM 1176 O LEU A 76 -4.797 0.295 -2.348 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.670 1.307 -0.034 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.196 0.001 0.528 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.884 -0.077 2.020 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.684 -0.056 0.288 1.00 0.00 C ATOM 0 H LEU A 76 -5.186 2.938 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.748 0.998 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.918 2.136 0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.131 1.521 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.719 -0.847 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.263 -1.017 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.805 -0.027 2.169 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.361 0.757 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.081 -0.990 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.165 0.785 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.882 -0.005 -0.783 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.823 -1.157 -0.729 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.585 -2.230 -1.700 1.00 0.00 C ATOM 1194 C ILE A 77 -5.348 -3.484 -1.285 1.00 0.00 C ATOM 1195 O ILE A 77 -5.015 -4.132 -0.313 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.092 -2.501 -1.741 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.362 -1.158 -1.866 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.759 -3.400 -2.934 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.924 -1.377 -2.336 1.00 0.00 C ATOM 0 H ILE A 77 -4.906 -1.446 0.246 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.935 -1.937 -2.690 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.776 -3.010 -0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.888 -0.515 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.363 -0.645 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.686 -3.591 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.293 -4.345 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.060 -2.905 -3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.418 -0.415 -2.420 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.397 -2.002 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.930 -1.870 -3.308 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.378 -3.829 -2.011 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.157 -5.043 -1.644 1.00 0.00 C ATOM 1213 C ARG A 78 -6.331 -6.294 -1.965 1.00 0.00 C ATOM 1214 O ARG A 78 -6.058 -6.593 -3.110 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.462 -5.067 -2.450 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.090 -6.461 -2.378 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.611 -6.333 -2.268 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.206 -6.283 -3.633 1.00 0.00 N ATOM 1219 CZ ARG A 78 -12.359 -5.700 -3.821 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -13.437 -6.196 -3.279 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -12.433 -4.622 -4.553 1.00 0.00 N ATOM 0 H ARG A 78 -6.710 -3.327 -2.834 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.387 -5.026 -0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.157 -4.324 -2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.264 -4.800 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.826 -7.036 -3.266 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.697 -7.004 -1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.018 -7.178 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.871 -5.432 -1.713 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.713 -6.704 -4.420 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.379 -7.039 -2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.338 -5.740 -3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.590 -4.235 -4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.334 -4.166 -4.700 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.940 -7.033 -0.957 1.00 0.00 N ATOM 1236 CA LYS A 79 -5.144 -8.270 -1.197 1.00 0.00 C ATOM 1237 C LYS A 79 -5.963 -9.185 -2.093 1.00 0.00 C ATOM 1238 O LYS A 79 -7.146 -9.359 -1.882 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.871 -8.967 0.138 1.00 0.00 C ATOM 1240 CG LYS A 79 -4.451 -10.419 -0.106 1.00 0.00 C ATOM 1241 CD LYS A 79 -3.117 -10.448 -0.853 1.00 0.00 C ATOM 1242 CE LYS A 79 -2.428 -11.792 -0.614 1.00 0.00 C ATOM 1243 NZ LYS A 79 -1.630 -12.161 -1.817 1.00 0.00 N ATOM 0 H LYS A 79 -6.139 -6.830 0.023 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.192 -8.028 -1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.086 -8.439 0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.764 -8.938 0.762 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.359 -10.946 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.215 -10.937 -0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.282 -10.296 -1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.478 -9.634 -0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.780 -11.730 0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.171 -12.562 -0.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.574 -13.197 -1.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.087 -11.777 -2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.671 -11.767 -1.732 1.00 0.00 H new