USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 985 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 12 SER OG : rot -139:sc= -1.26 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -3.43! C(o=-4.7!,f=-9.9!) USER MOD Set 2.1: A 10 TYR OH : rot 15:sc= -1.57 USER MOD Set 2.2: A 52 GLN :FLIP amide:sc= -8.01! C(o=-11!,f=-9.8!) USER MOD Set 2.3: A 95 MET CE :methyl 175:sc= -0.201 (180deg=-0.375) USER MOD Set 3.1: A 7 THR OG1 : rot -60:sc= -0.789 USER MOD Set 3.2: A 85 SER OG : rot 140:sc= -0.0276 USER MOD Single : A 6 THR OG1 : rot -16:sc= 0.332 USER MOD Single : A 13 GLN :FLIP amide:sc= 0.0312 F(o=-2.1,f=0.031) USER MOD Single : A 15 HIS :FLIP no HE2:sc= 0.138 F(o=-0.6,f=0.14) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= -0.785 (180deg=-0.822) USER MOD Single : A 34 ASN : amide:sc= -0.497 K(o=-0.5,f=-4!) USER MOD Single : A 40 THR OG1 : rot -70:sc= -0.0882 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.929 F(o=-3.6!,f=-0.93) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 72:sc= 1.24 USER MOD Single : A 69 GLN : amide:sc= -0.966 X(o=-0.97,f=-1) USER MOD Single : A 70 SER OG : rot -37:sc= 0.928 USER MOD Single : A 81 MET CE :methyl 176:sc= -4.1 (180deg=-4.19) USER MOD Single : A 84 TYR OH : rot 72:sc= 0.00384 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.415 X(o=-0.42,f=0.0087) USER MOD Single : A 93 THR OG1 : rot -30:sc= 0.419 USER MOD Single : A 105 THR OG1 : rot -34:sc= 0.518 USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -67:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 5 17.037 -2.962 4.666 1.00 0.00 N ATOM 63 CA LEU A 5 15.762 -2.465 4.164 1.00 0.00 C ATOM 64 C LEU A 5 14.630 -2.870 5.090 1.00 0.00 C ATOM 65 O LEU A 5 14.836 -3.583 6.070 1.00 0.00 O ATOM 66 CB LEU A 5 15.496 -2.998 2.754 1.00 0.00 C ATOM 67 CG LEU A 5 15.532 -1.945 1.645 1.00 0.00 C ATOM 68 CD1 LEU A 5 16.937 -1.388 1.483 1.00 0.00 C ATOM 69 CD2 LEU A 5 15.034 -2.537 0.335 1.00 0.00 C ATOM 0 HA LEU A 5 15.813 -1.377 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.235 -3.767 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.519 -3.481 2.743 1.00 0.00 H new ATOM 0 HG LEU A 5 14.871 -1.125 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.943 -0.641 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 5 17.256 -0.927 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 5 17.621 -2.196 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 5 15.066 -1.775 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 5 15.670 -3.375 0.049 1.00 0.00 H new ATOM 0 HD23 LEU A 5 14.009 -2.886 0.460 1.00 0.00 H new ATOM 81 N THR A 6 13.436 -2.401 4.771 1.00 0.00 N ATOM 82 CA THR A 6 12.261 -2.693 5.573 1.00 0.00 C ATOM 83 C THR A 6 10.991 -2.521 4.744 1.00 0.00 C ATOM 84 O THR A 6 10.988 -1.797 3.751 1.00 0.00 O ATOM 85 CB THR A 6 12.216 -1.772 6.805 1.00 0.00 C ATOM 86 OG1 THR A 6 13.411 -1.935 7.579 1.00 0.00 O ATOM 87 CG2 THR A 6 11.006 -2.071 7.674 1.00 0.00 C ATOM 0 H THR A 6 13.255 -1.813 3.957 1.00 0.00 H new ATOM 0 HA THR A 6 12.320 -3.729 5.908 1.00 0.00 H new ATOM 0 HB THR A 6 12.140 -0.743 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.866 -2.759 7.308 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.003 -1.404 8.536 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.095 -1.919 7.094 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.050 -3.105 8.016 1.00 0.00 H new ATOM 95 N THR A 7 9.914 -3.185 5.146 1.00 0.00 N ATOM 96 CA THR A 7 8.653 -3.089 4.423 1.00 0.00 C ATOM 97 C THR A 7 7.516 -2.665 5.338 1.00 0.00 C ATOM 98 O THR A 7 6.893 -3.498 5.996 1.00 0.00 O ATOM 99 CB THR A 7 8.264 -4.420 3.752 1.00 0.00 C ATOM 100 OG1 THR A 7 9.304 -4.842 2.860 1.00 0.00 O ATOM 101 CG2 THR A 7 6.952 -4.278 2.982 1.00 0.00 C ATOM 0 H THR A 7 9.889 -3.793 5.965 1.00 0.00 H new ATOM 0 HA THR A 7 8.810 -2.333 3.653 1.00 0.00 H new ATOM 0 HB THR A 7 8.129 -5.169 4.532 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.438 -4.161 2.168 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.698 -5.231 2.517 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.157 -3.986 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.063 -3.516 2.211 1.00 0.00 H new ATOM 109 N LEU A 8 7.251 -1.367 5.376 1.00 0.00 N ATOM 110 CA LEU A 8 6.177 -0.836 6.177 1.00 0.00 C ATOM 111 C LEU A 8 4.907 -0.804 5.351 1.00 0.00 C ATOM 112 O LEU A 8 4.898 -0.285 4.240 1.00 0.00 O ATOM 113 CB LEU A 8 6.499 0.570 6.648 1.00 0.00 C ATOM 114 CG LEU A 8 5.274 1.345 7.086 1.00 0.00 C ATOM 115 CD1 LEU A 8 5.454 1.886 8.488 1.00 0.00 C ATOM 116 CD2 LEU A 8 4.961 2.453 6.102 1.00 0.00 C ATOM 0 H LEU A 8 7.774 -0.664 4.854 1.00 0.00 H new ATOM 0 HA LEU A 8 6.045 -1.476 7.050 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.204 0.516 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.996 1.112 5.843 1.00 0.00 H new ATOM 0 HG LEU A 8 4.423 0.664 7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.562 2.439 8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.612 1.059 9.180 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.318 2.550 8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.077 2.997 6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.808 3.137 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.772 2.023 5.118 1.00 0.00 H new ATOM 128 N ILE A 9 3.842 -1.352 5.890 1.00 0.00 N ATOM 129 CA ILE A 9 2.575 -1.372 5.191 1.00 0.00 C ATOM 130 C ILE A 9 1.484 -0.808 6.091 1.00 0.00 C ATOM 131 O ILE A 9 1.501 -1.028 7.292 1.00 0.00 O ATOM 132 CB ILE A 9 2.248 -2.808 4.731 1.00 0.00 C ATOM 133 CG1 ILE A 9 3.323 -3.282 3.743 1.00 0.00 C ATOM 134 CG2 ILE A 9 0.862 -2.889 4.109 1.00 0.00 C ATOM 135 CD1 ILE A 9 3.087 -4.673 3.199 1.00 0.00 C ATOM 0 H ILE A 9 3.827 -1.790 6.811 1.00 0.00 H new ATOM 0 HA ILE A 9 2.636 -0.745 4.301 1.00 0.00 H new ATOM 0 HB ILE A 9 2.247 -3.464 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.371 -2.580 2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.294 -3.256 4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.663 -3.914 3.796 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.116 -2.582 4.842 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.813 -2.229 3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 9 3.889 -4.935 2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.069 -5.387 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.132 -4.701 2.674 1.00 0.00 H new ATOM 147 N TYR A 10 0.562 -0.045 5.522 1.00 0.00 N ATOM 148 CA TYR A 10 -0.508 0.556 6.313 1.00 0.00 C ATOM 149 C TYR A 10 -1.798 0.628 5.526 1.00 0.00 C ATOM 150 O TYR A 10 -1.828 0.365 4.326 1.00 0.00 O ATOM 151 CB TYR A 10 -0.118 1.971 6.766 1.00 0.00 C ATOM 152 CG TYR A 10 0.001 2.966 5.632 1.00 0.00 C ATOM 153 CD1 TYR A 10 -1.129 3.556 5.076 1.00 0.00 C ATOM 154 CD2 TYR A 10 1.242 3.317 5.119 1.00 0.00 C ATOM 155 CE1 TYR A 10 -1.027 4.464 4.042 1.00 0.00 C ATOM 156 CE2 TYR A 10 1.353 4.227 4.086 1.00 0.00 C ATOM 157 CZ TYR A 10 0.215 4.795 3.551 1.00 0.00 C ATOM 158 OH TYR A 10 0.320 5.698 2.518 1.00 0.00 O ATOM 0 H TYR A 10 0.530 0.173 4.526 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.661 -0.078 7.186 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.861 2.332 7.477 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.833 1.923 7.296 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.105 3.299 5.461 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.134 2.872 5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.915 4.911 3.621 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.326 4.493 3.699 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.529 6.177 2.415 1.00 0.00 H new ATOM 168 N ARG A 11 -2.866 0.983 6.218 1.00 0.00 N ATOM 169 CA ARG A 11 -4.161 1.129 5.581 1.00 0.00 C ATOM 170 C ARG A 11 -4.989 2.184 6.295 1.00 0.00 C ATOM 171 O ARG A 11 -5.087 2.199 7.522 1.00 0.00 O ATOM 172 CB ARG A 11 -4.904 -0.204 5.522 1.00 0.00 C ATOM 173 CG ARG A 11 -5.654 -0.561 6.789 1.00 0.00 C ATOM 174 CD ARG A 11 -6.302 -1.931 6.677 1.00 0.00 C ATOM 175 NE ARG A 11 -7.154 -2.226 7.826 1.00 0.00 N ATOM 176 CZ ARG A 11 -8.253 -2.972 7.759 1.00 0.00 C ATOM 177 NH1 ARG A 11 -8.636 -3.494 6.600 1.00 0.00 N ATOM 178 NH2 ARG A 11 -8.971 -3.195 8.850 1.00 0.00 N ATOM 0 H ARG A 11 -2.861 1.175 7.220 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.997 1.458 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.610 -0.176 4.692 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.187 -0.996 5.304 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.968 -0.548 7.636 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.418 0.191 6.986 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.895 -1.979 5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.527 -2.693 6.594 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.891 -1.838 8.732 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.087 -3.323 5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.479 -4.066 6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.681 -2.794 9.742 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.814 -3.767 8.798 1.00 0.00 H new ATOM 192 N SER A 12 -5.570 3.072 5.509 1.00 0.00 N ATOM 193 CA SER A 12 -6.388 4.148 6.038 1.00 0.00 C ATOM 194 C SER A 12 -7.763 4.110 5.409 1.00 0.00 C ATOM 195 O SER A 12 -8.206 3.071 4.921 1.00 0.00 O ATOM 196 CB SER A 12 -5.739 5.500 5.744 1.00 0.00 C ATOM 197 OG SER A 12 -5.619 5.710 4.349 1.00 0.00 O ATOM 0 H SER A 12 -5.489 3.068 4.492 1.00 0.00 H new ATOM 0 HA SER A 12 -6.476 4.017 7.117 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.336 6.298 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.754 5.544 6.208 1.00 0.00 H new ATOM 0 HG SER A 12 -4.751 6.120 4.153 1.00 0.00 H new ATOM 203 N GLN A 13 -8.435 5.247 5.421 1.00 0.00 N ATOM 204 CA GLN A 13 -9.746 5.346 4.816 1.00 0.00 C ATOM 205 C GLN A 13 -9.779 6.487 3.814 1.00 0.00 C ATOM 206 O GLN A 13 -8.854 6.669 3.023 1.00 0.00 O ATOM 207 CB GLN A 13 -10.838 5.537 5.868 1.00 0.00 C ATOM 208 CG GLN A 13 -10.801 4.518 6.982 1.00 0.00 C ATOM 209 CD GLN A 13 -12.181 4.160 7.493 1.00 0.00 C ATOM 210 OE1 GLN A 13 -13.094 5.121 7.446 1.00 0.00 O flip ATOM 211 NE2 GLN A 13 -12.423 3.035 7.929 1.00 0.00 N flip ATOM 0 H GLN A 13 -8.094 6.111 5.842 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.943 4.408 4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.744 6.534 6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.811 5.491 5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.304 3.615 6.627 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.203 4.908 7.806 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.690 2.326 7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.357 2.811 8.273 1.00 0.00 H new ATOM 220 N VAL A 14 -10.858 7.240 3.859 1.00 0.00 N ATOM 221 CA VAL A 14 -11.061 8.368 2.970 1.00 0.00 C ATOM 222 C VAL A 14 -12.241 9.191 3.466 1.00 0.00 C ATOM 223 O VAL A 14 -12.842 8.862 4.483 1.00 0.00 O ATOM 224 CB VAL A 14 -11.336 7.889 1.533 1.00 0.00 C ATOM 225 CG1 VAL A 14 -12.787 7.467 1.403 1.00 0.00 C ATOM 226 CG2 VAL A 14 -10.978 8.961 0.515 1.00 0.00 C ATOM 0 H VAL A 14 -11.623 7.087 4.516 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.157 8.977 2.964 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.702 7.027 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.978 7.129 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.994 6.655 2.100 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.434 8.314 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.184 8.592 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.574 9.854 0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.919 9.206 0.602 1.00 0.00 H new ATOM 236 N HIS A 15 -12.580 10.243 2.742 1.00 0.00 N ATOM 237 CA HIS A 15 -13.693 11.094 3.126 1.00 0.00 C ATOM 238 C HIS A 15 -14.958 10.711 2.360 1.00 0.00 C ATOM 239 O HIS A 15 -15.161 11.158 1.231 1.00 0.00 O ATOM 240 CB HIS A 15 -13.353 12.555 2.871 1.00 0.00 C ATOM 241 CG HIS A 15 -12.960 13.305 4.106 1.00 0.00 C ATOM 242 ND1 HIS A 15 -11.756 13.461 4.702 1.00 0.00 N flip ATOM 243 CD2 HIS A 15 -13.860 14.009 4.878 1.00 0.00 C flip ATOM 244 CE1 HIS A 15 -11.946 14.247 5.810 1.00 0.00 C flip ATOM 245 NE2 HIS A 15 -13.225 14.564 5.895 1.00 0.00 N flip ATOM 0 H HIS A 15 -12.102 10.528 1.887 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.877 10.953 4.191 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -12.538 12.609 2.149 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.214 13.046 2.417 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -10.870 13.067 4.386 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -14.919 14.093 4.682 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.175 14.556 6.500 1.00 0.00 H new ATOM 254 N PRO A 16 -15.824 9.871 2.961 1.00 0.00 N ATOM 255 CA PRO A 16 -17.076 9.433 2.327 1.00 0.00 C ATOM 256 C PRO A 16 -17.944 10.602 1.894 1.00 0.00 C ATOM 257 O PRO A 16 -18.875 10.448 1.103 1.00 0.00 O ATOM 258 CB PRO A 16 -17.776 8.628 3.422 1.00 0.00 C ATOM 259 CG PRO A 16 -17.084 8.997 4.688 1.00 0.00 C ATOM 260 CD PRO A 16 -15.667 9.281 4.298 1.00 0.00 C ATOM 0 HA PRO A 16 -16.889 8.862 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.838 8.870 3.470 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.701 7.557 3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.547 9.869 5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.137 8.187 5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.184 9.969 4.992 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.062 8.375 4.274 1.00 0.00 H new ATOM 268 N ASP A 17 -17.625 11.768 2.425 1.00 0.00 N ATOM 269 CA ASP A 17 -18.360 12.988 2.113 1.00 0.00 C ATOM 270 C ASP A 17 -17.709 13.737 0.951 1.00 0.00 C ATOM 271 O ASP A 17 -18.395 14.365 0.143 1.00 0.00 O ATOM 272 CB ASP A 17 -18.427 13.887 3.348 1.00 0.00 C ATOM 273 CG ASP A 17 -19.304 15.104 3.131 1.00 0.00 C ATOM 274 OD1 ASP A 17 -20.535 14.986 3.302 1.00 0.00 O ATOM 275 OD2 ASP A 17 -18.760 16.175 2.789 1.00 0.00 O ATOM 0 H ASP A 17 -16.855 11.900 3.081 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.372 12.712 1.815 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.810 13.313 4.192 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.421 14.211 3.613 1.00 0.00 H new ATOM 280 N ARG A 18 -16.383 13.666 0.874 1.00 0.00 N ATOM 281 CA ARG A 18 -15.635 14.336 -0.189 1.00 0.00 C ATOM 282 C ARG A 18 -15.760 13.573 -1.511 1.00 0.00 C ATOM 283 O ARG A 18 -16.260 12.449 -1.534 1.00 0.00 O ATOM 284 CB ARG A 18 -14.162 14.465 0.207 1.00 0.00 C ATOM 285 CG ARG A 18 -13.898 15.545 1.235 1.00 0.00 C ATOM 286 CD ARG A 18 -12.409 15.713 1.487 1.00 0.00 C ATOM 287 NE ARG A 18 -12.128 16.796 2.426 1.00 0.00 N ATOM 288 CZ ARG A 18 -10.901 17.213 2.725 1.00 0.00 C ATOM 289 NH1 ARG A 18 -9.845 16.646 2.155 1.00 0.00 N ATOM 290 NH2 ARG A 18 -10.730 18.202 3.591 1.00 0.00 N ATOM 0 H ARG A 18 -15.802 13.151 1.536 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.056 15.332 -0.329 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.816 13.509 0.601 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.572 14.674 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.320 16.489 0.891 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.401 15.293 2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.001 14.781 1.877 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.902 15.912 0.543 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.917 17.258 2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.973 15.888 1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.906 16.969 2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.539 18.643 4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.789 18.522 3.820 1.00 0.00 H new ATOM 304 N PRO A 19 -15.308 14.174 -2.634 1.00 0.00 N ATOM 305 CA PRO A 19 -15.375 13.541 -3.948 1.00 0.00 C ATOM 306 C PRO A 19 -14.240 12.532 -4.155 1.00 0.00 C ATOM 307 O PRO A 19 -13.395 12.362 -3.276 1.00 0.00 O ATOM 308 CB PRO A 19 -15.256 14.717 -4.931 1.00 0.00 C ATOM 309 CG PRO A 19 -15.048 15.953 -4.106 1.00 0.00 C ATOM 310 CD PRO A 19 -14.689 15.502 -2.720 1.00 0.00 C ATOM 0 HA PRO A 19 -16.292 12.967 -4.081 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.422 14.565 -5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.156 14.805 -5.539 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.254 16.569 -4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.951 16.563 -4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.609 15.454 -2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.080 16.180 -1.961 1.00 0.00 H new ATOM 318 N PRO A 20 -14.207 11.846 -5.317 1.00 0.00 N ATOM 319 CA PRO A 20 -13.171 10.849 -5.618 1.00 0.00 C ATOM 320 C PRO A 20 -11.757 11.394 -5.443 1.00 0.00 C ATOM 321 O PRO A 20 -11.542 12.607 -5.423 1.00 0.00 O ATOM 322 CB PRO A 20 -13.428 10.498 -7.084 1.00 0.00 C ATOM 323 CG PRO A 20 -14.869 10.806 -7.299 1.00 0.00 C ATOM 324 CD PRO A 20 -15.169 11.989 -6.425 1.00 0.00 C ATOM 0 HA PRO A 20 -13.228 9.996 -4.942 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.794 11.085 -7.749 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.213 9.448 -7.283 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.068 11.033 -8.346 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.495 9.954 -7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.030 12.929 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.199 11.974 -6.068 1.00 0.00 H new ATOM 332 N VAL A 21 -10.794 10.485 -5.311 1.00 0.00 N ATOM 333 CA VAL A 21 -9.399 10.857 -5.136 1.00 0.00 C ATOM 334 C VAL A 21 -8.681 10.972 -6.470 1.00 0.00 C ATOM 335 O VAL A 21 -9.058 10.329 -7.450 1.00 0.00 O ATOM 336 CB VAL A 21 -8.645 9.820 -4.293 1.00 0.00 C ATOM 337 CG1 VAL A 21 -7.200 10.232 -4.123 1.00 0.00 C ATOM 338 CG2 VAL A 21 -9.295 9.620 -2.941 1.00 0.00 C ATOM 0 H VAL A 21 -10.960 9.479 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.404 11.822 -4.630 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.685 8.869 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.677 9.487 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.726 10.308 -5.101 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.154 11.199 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.733 8.879 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.302 10.565 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.319 9.272 -3.077 1.00 0.00 H new ATOM 348 N ASP A 22 -7.644 11.800 -6.499 1.00 0.00 N ATOM 349 CA ASP A 22 -6.842 11.964 -7.694 1.00 0.00 C ATOM 350 C ASP A 22 -5.774 10.890 -7.725 1.00 0.00 C ATOM 351 O ASP A 22 -4.589 11.177 -7.771 1.00 0.00 O ATOM 352 CB ASP A 22 -6.207 13.351 -7.739 1.00 0.00 C ATOM 353 CG ASP A 22 -7.236 14.459 -7.845 1.00 0.00 C ATOM 354 OD1 ASP A 22 -7.709 14.934 -6.791 1.00 0.00 O ATOM 355 OD2 ASP A 22 -7.568 14.853 -8.982 1.00 0.00 O ATOM 0 H ASP A 22 -7.343 12.366 -5.706 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.483 11.866 -8.570 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.607 13.502 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.528 13.408 -8.589 1.00 0.00 H new ATOM 360 N LEU A 23 -6.237 9.651 -7.700 1.00 0.00 N ATOM 361 CA LEU A 23 -5.394 8.461 -7.704 1.00 0.00 C ATOM 362 C LEU A 23 -4.369 8.437 -8.829 1.00 0.00 C ATOM 363 O LEU A 23 -3.671 7.447 -9.010 1.00 0.00 O ATOM 364 CB LEU A 23 -6.299 7.255 -7.807 1.00 0.00 C ATOM 365 CG LEU A 23 -7.475 7.289 -6.838 1.00 0.00 C ATOM 366 CD1 LEU A 23 -8.497 6.225 -7.191 1.00 0.00 C ATOM 367 CD2 LEU A 23 -6.978 7.089 -5.416 1.00 0.00 C ATOM 0 H LEU A 23 -7.234 9.437 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.816 8.458 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.680 7.184 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.713 6.355 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.959 8.263 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.327 6.269 -6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.870 6.399 -8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.030 5.241 -7.141 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.823 7.114 -4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.476 6.125 -5.338 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.278 7.884 -5.160 1.00 0.00 H new ATOM 379 N ASP A 24 -4.320 9.491 -9.612 1.00 0.00 N ATOM 380 CA ASP A 24 -3.361 9.608 -10.672 1.00 0.00 C ATOM 381 C ASP A 24 -2.248 10.517 -10.208 1.00 0.00 C ATOM 382 O ASP A 24 -1.062 10.247 -10.387 1.00 0.00 O ATOM 383 CB ASP A 24 -4.042 10.214 -11.877 1.00 0.00 C ATOM 384 CG ASP A 24 -4.660 9.176 -12.792 1.00 0.00 C ATOM 385 OD1 ASP A 24 -5.794 8.735 -12.507 1.00 0.00 O ATOM 386 OD2 ASP A 24 -4.013 8.806 -13.793 1.00 0.00 O ATOM 0 H ASP A 24 -4.948 10.290 -9.526 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.956 8.631 -10.936 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.818 10.902 -11.541 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.317 10.801 -12.440 1.00 0.00 H new ATOM 391 N ALA A 25 -2.684 11.604 -9.608 1.00 0.00 N ATOM 392 CA ALA A 25 -1.810 12.626 -9.075 1.00 0.00 C ATOM 393 C ALA A 25 -1.356 12.272 -7.660 1.00 0.00 C ATOM 394 O ALA A 25 -0.276 12.665 -7.216 1.00 0.00 O ATOM 395 CB ALA A 25 -2.561 13.944 -9.085 1.00 0.00 C ATOM 0 H ALA A 25 -3.675 11.805 -9.475 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.914 12.704 -9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.920 14.731 -8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.847 14.192 -10.107 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.456 13.858 -8.468 1.00 0.00 H new ATOM 401 N LEU A 26 -2.196 11.505 -6.975 1.00 0.00 N ATOM 402 CA LEU A 26 -1.951 11.084 -5.605 1.00 0.00 C ATOM 403 C LEU A 26 -0.739 10.167 -5.537 1.00 0.00 C ATOM 404 O LEU A 26 0.089 10.270 -4.632 1.00 0.00 O ATOM 405 CB LEU A 26 -3.220 10.389 -5.074 1.00 0.00 C ATOM 406 CG LEU A 26 -3.027 9.248 -4.066 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.307 9.021 -3.279 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.632 7.960 -4.768 1.00 0.00 C ATOM 0 H LEU A 26 -3.074 11.156 -7.360 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.730 11.949 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.850 11.147 -4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.772 9.995 -5.928 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.225 9.535 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.157 8.209 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.569 9.932 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.114 8.759 -3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.502 7.169 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.414 7.675 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.696 8.111 -5.307 1.00 0.00 H new ATOM 420 N VAL A 27 -0.651 9.272 -6.508 1.00 0.00 N ATOM 421 CA VAL A 27 0.444 8.316 -6.582 1.00 0.00 C ATOM 422 C VAL A 27 1.656 8.904 -7.299 1.00 0.00 C ATOM 423 O VAL A 27 2.798 8.666 -6.905 1.00 0.00 O ATOM 424 CB VAL A 27 -0.007 7.025 -7.294 1.00 0.00 C ATOM 425 CG1 VAL A 27 -0.997 7.355 -8.398 1.00 0.00 C ATOM 426 CG2 VAL A 27 1.182 6.255 -7.853 1.00 0.00 C ATOM 0 H VAL A 27 -1.332 9.187 -7.263 1.00 0.00 H new ATOM 0 HA VAL A 27 0.735 8.078 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.497 6.387 -6.559 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.309 6.436 -8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.869 7.849 -7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.525 8.017 -9.124 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.829 5.350 -8.348 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.714 6.878 -8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.855 5.984 -7.040 1.00 0.00 H new ATOM 436 N HIS A 28 1.397 9.667 -8.356 1.00 0.00 N ATOM 437 CA HIS A 28 2.462 10.281 -9.143 1.00 0.00 C ATOM 438 C HIS A 28 3.458 11.015 -8.252 1.00 0.00 C ATOM 439 O HIS A 28 4.653 10.716 -8.258 1.00 0.00 O ATOM 440 CB HIS A 28 1.870 11.260 -10.158 1.00 0.00 C ATOM 441 CG HIS A 28 2.807 11.612 -11.269 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.779 12.585 -11.156 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.922 11.114 -12.523 1.00 0.00 C ATOM 444 CE1 HIS A 28 4.448 12.669 -12.292 1.00 0.00 C ATOM 445 NE2 HIS A 28 3.948 11.788 -13.138 1.00 0.00 N ATOM 0 H HIS A 28 0.456 9.876 -8.689 1.00 0.00 H new ATOM 0 HA HIS A 28 2.989 9.483 -9.666 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.964 10.827 -10.582 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.575 12.173 -9.640 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.318 10.332 -12.959 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.266 13.345 -12.494 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.271 11.633 -14.093 1.00 0.00 H new ATOM 454 N ARG A 29 2.954 11.974 -7.485 1.00 0.00 N ATOM 455 CA ARG A 29 3.798 12.765 -6.594 1.00 0.00 C ATOM 456 C ARG A 29 4.543 11.886 -5.593 1.00 0.00 C ATOM 457 O ARG A 29 5.579 12.285 -5.062 1.00 0.00 O ATOM 458 CB ARG A 29 2.959 13.813 -5.856 1.00 0.00 C ATOM 459 CG ARG A 29 2.711 15.078 -6.666 1.00 0.00 C ATOM 460 CD ARG A 29 1.881 14.799 -7.909 1.00 0.00 C ATOM 461 NE ARG A 29 1.834 15.949 -8.809 1.00 0.00 N ATOM 462 CZ ARG A 29 1.103 15.987 -9.920 1.00 0.00 C ATOM 463 NH1 ARG A 29 0.354 14.946 -10.259 1.00 0.00 N ATOM 464 NH2 ARG A 29 1.121 17.065 -10.691 1.00 0.00 N ATOM 0 H ARG A 29 1.965 12.224 -7.461 1.00 0.00 H new ATOM 0 HA ARG A 29 4.542 13.271 -7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.000 13.372 -5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.462 14.080 -4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.199 15.813 -6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.666 15.516 -6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.298 13.942 -8.438 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.867 14.529 -7.614 1.00 0.00 H new ATOM 0 HE ARG A 29 2.393 16.769 -8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.338 14.115 -9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.206 14.976 -11.111 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.696 17.867 -10.433 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.560 17.092 -11.542 1.00 0.00 H new ATOM 478 N ALA A 30 4.018 10.692 -5.338 1.00 0.00 N ATOM 479 CA ALA A 30 4.649 9.774 -4.395 1.00 0.00 C ATOM 480 C ALA A 30 5.835 9.044 -5.017 1.00 0.00 C ATOM 481 O ALA A 30 6.962 9.158 -4.539 1.00 0.00 O ATOM 482 CB ALA A 30 3.638 8.768 -3.883 1.00 0.00 C ATOM 0 H ALA A 30 3.163 10.339 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 30 5.023 10.371 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.123 8.090 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.826 9.292 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.237 8.197 -4.720 1.00 0.00 H new ATOM 488 N SER A 31 5.569 8.291 -6.080 1.00 0.00 N ATOM 489 CA SER A 31 6.603 7.521 -6.766 1.00 0.00 C ATOM 490 C SER A 31 7.827 8.373 -7.095 1.00 0.00 C ATOM 491 O SER A 31 8.953 7.881 -7.078 1.00 0.00 O ATOM 492 CB SER A 31 6.042 6.910 -8.050 1.00 0.00 C ATOM 493 OG SER A 31 7.022 6.133 -8.717 1.00 0.00 O ATOM 0 H SER A 31 4.639 8.197 -6.488 1.00 0.00 H new ATOM 0 HA SER A 31 6.919 6.728 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.179 6.287 -7.813 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.691 7.703 -8.710 1.00 0.00 H new ATOM 0 HG SER A 31 6.637 5.752 -9.534 1.00 0.00 H new ATOM 499 N SER A 32 7.602 9.647 -7.392 1.00 0.00 N ATOM 500 CA SER A 32 8.694 10.554 -7.735 1.00 0.00 C ATOM 501 C SER A 32 9.567 10.875 -6.523 1.00 0.00 C ATOM 502 O SER A 32 10.772 11.070 -6.659 1.00 0.00 O ATOM 503 CB SER A 32 8.137 11.846 -8.331 1.00 0.00 C ATOM 504 OG SER A 32 9.181 12.745 -8.665 1.00 0.00 O ATOM 0 H SER A 32 6.677 10.076 -7.403 1.00 0.00 H new ATOM 0 HA SER A 32 9.319 10.051 -8.473 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.551 11.617 -9.221 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.461 12.318 -7.618 1.00 0.00 H new ATOM 0 HG SER A 32 8.799 13.563 -9.046 1.00 0.00 H new ATOM 510 N LYS A 33 8.952 10.950 -5.349 1.00 0.00 N ATOM 511 CA LYS A 33 9.680 11.251 -4.119 1.00 0.00 C ATOM 512 C LYS A 33 10.283 9.994 -3.492 1.00 0.00 C ATOM 513 O LYS A 33 11.330 10.053 -2.852 1.00 0.00 O ATOM 514 CB LYS A 33 8.752 11.957 -3.126 1.00 0.00 C ATOM 515 CG LYS A 33 9.347 12.135 -1.736 1.00 0.00 C ATOM 516 CD LYS A 33 8.917 11.022 -0.805 1.00 0.00 C ATOM 517 CE LYS A 33 8.448 11.581 0.525 1.00 0.00 C ATOM 518 NZ LYS A 33 9.537 11.602 1.540 1.00 0.00 N ATOM 0 H LYS A 33 7.950 10.807 -5.221 1.00 0.00 H new ATOM 0 HA LYS A 33 10.508 11.913 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.489 12.937 -3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.826 11.388 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.435 12.155 -1.804 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.036 13.096 -1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.114 10.447 -1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.748 10.336 -0.643 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.070 12.593 0.379 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.618 10.981 0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.202 12.083 2.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.812 10.627 1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.359 12.111 1.157 1.00 0.00 H new ATOM 532 N ASN A 34 9.620 8.860 -3.688 1.00 0.00 N ATOM 533 CA ASN A 34 10.077 7.589 -3.128 1.00 0.00 C ATOM 534 C ASN A 34 11.214 6.991 -3.951 1.00 0.00 C ATOM 535 O ASN A 34 12.105 6.340 -3.410 1.00 0.00 O ATOM 536 CB ASN A 34 8.915 6.587 -3.081 1.00 0.00 C ATOM 537 CG ASN A 34 7.793 7.009 -2.157 1.00 0.00 C ATOM 538 OD1 ASN A 34 7.665 8.180 -1.799 1.00 0.00 O ATOM 539 ND2 ASN A 34 6.959 6.045 -1.781 1.00 0.00 N ATOM 0 H ASN A 34 8.760 8.793 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 34 10.443 7.787 -2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.517 6.456 -4.087 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.294 5.617 -2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.172 6.261 -1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.106 5.089 -2.104 1.00 0.00 H new ATOM 546 N LEU A 35 11.183 7.217 -5.258 1.00 0.00 N ATOM 547 CA LEU A 35 12.194 6.668 -6.153 1.00 0.00 C ATOM 548 C LEU A 35 13.614 7.051 -5.727 1.00 0.00 C ATOM 549 O LEU A 35 14.422 6.179 -5.408 1.00 0.00 O ATOM 550 CB LEU A 35 11.939 7.128 -7.585 1.00 0.00 C ATOM 551 CG LEU A 35 11.828 6.007 -8.614 1.00 0.00 C ATOM 552 CD1 LEU A 35 10.387 5.536 -8.727 1.00 0.00 C ATOM 553 CD2 LEU A 35 12.359 6.470 -9.960 1.00 0.00 C ATOM 0 H LEU A 35 10.468 7.777 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 35 12.116 5.582 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.018 7.711 -7.605 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.746 7.797 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 35 12.435 5.164 -8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.322 4.736 -9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.048 5.166 -7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.756 6.368 -9.038 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.273 5.659 -10.683 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.780 7.327 -10.305 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.406 6.757 -9.859 1.00 0.00 H new ATOM 565 N PRO A 36 13.944 8.357 -5.718 1.00 0.00 N ATOM 566 CA PRO A 36 15.278 8.826 -5.342 1.00 0.00 C ATOM 567 C PRO A 36 15.580 8.566 -3.875 1.00 0.00 C ATOM 568 O PRO A 36 16.738 8.482 -3.465 1.00 0.00 O ATOM 569 CB PRO A 36 15.223 10.324 -5.615 1.00 0.00 C ATOM 570 CG PRO A 36 13.780 10.671 -5.522 1.00 0.00 C ATOM 571 CD PRO A 36 13.050 9.475 -6.053 1.00 0.00 C ATOM 0 HA PRO A 36 16.063 8.311 -5.896 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.812 10.881 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.625 10.562 -6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.492 10.882 -4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.552 11.562 -6.106 1.00 0.00 H new ATOM 0 HD2 PRO A 36 12.071 9.361 -5.587 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.884 9.549 -7.128 1.00 0.00 H new ATOM 579 N LEU A 37 14.518 8.438 -3.095 1.00 0.00 N ATOM 580 CA LEU A 37 14.625 8.193 -1.664 1.00 0.00 C ATOM 581 C LEU A 37 15.010 6.751 -1.373 1.00 0.00 C ATOM 582 O LEU A 37 15.546 6.438 -0.310 1.00 0.00 O ATOM 583 CB LEU A 37 13.299 8.540 -0.994 1.00 0.00 C ATOM 584 CG LEU A 37 13.305 9.866 -0.252 1.00 0.00 C ATOM 585 CD1 LEU A 37 13.600 11.002 -1.219 1.00 0.00 C ATOM 586 CD2 LEU A 37 11.977 10.083 0.449 1.00 0.00 C ATOM 0 H LEU A 37 13.558 8.501 -3.435 1.00 0.00 H new ATOM 0 HA LEU A 37 15.415 8.826 -1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.517 8.564 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.040 7.746 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 37 14.089 9.846 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.602 11.949 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.576 10.844 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.834 11.029 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.996 11.037 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.174 10.091 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.806 9.277 1.163 1.00 0.00 H new ATOM 598 N GLY A 38 14.731 5.881 -2.328 1.00 0.00 N ATOM 599 CA GLY A 38 15.049 4.474 -2.169 1.00 0.00 C ATOM 600 C GLY A 38 13.848 3.677 -1.713 1.00 0.00 C ATOM 601 O GLY A 38 13.936 2.472 -1.477 1.00 0.00 O ATOM 0 H GLY A 38 14.288 6.122 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.413 4.074 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.856 4.363 -1.445 1.00 0.00 H new ATOM 605 N ILE A 39 12.722 4.366 -1.589 1.00 0.00 N ATOM 606 CA ILE A 39 11.477 3.750 -1.165 1.00 0.00 C ATOM 607 C ILE A 39 10.760 3.132 -2.358 1.00 0.00 C ATOM 608 O ILE A 39 10.929 3.581 -3.493 1.00 0.00 O ATOM 609 CB ILE A 39 10.553 4.790 -0.508 1.00 0.00 C ATOM 610 CG1 ILE A 39 11.293 5.535 0.601 1.00 0.00 C ATOM 611 CG2 ILE A 39 9.295 4.132 0.037 1.00 0.00 C ATOM 612 CD1 ILE A 39 10.682 6.880 0.921 1.00 0.00 C ATOM 0 H ILE A 39 12.648 5.365 -1.780 1.00 0.00 H new ATOM 0 HA ILE A 39 11.717 2.973 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 39 10.254 5.510 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.298 4.921 1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.333 5.676 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.659 4.888 0.496 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.755 3.649 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.569 3.386 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.253 7.359 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.701 7.509 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.651 6.743 1.247 1.00 0.00 H new ATOM 624 N THR A 40 9.961 2.105 -2.104 1.00 0.00 N ATOM 625 CA THR A 40 9.228 1.438 -3.167 1.00 0.00 C ATOM 626 C THR A 40 7.923 0.872 -2.646 1.00 0.00 C ATOM 627 O THR A 40 7.770 0.672 -1.445 1.00 0.00 O ATOM 628 CB THR A 40 10.055 0.304 -3.789 1.00 0.00 C ATOM 629 OG1 THR A 40 11.110 -0.080 -2.900 1.00 0.00 O ATOM 630 CG2 THR A 40 10.634 0.735 -5.125 1.00 0.00 C ATOM 0 H THR A 40 9.805 1.718 -1.173 1.00 0.00 H new ATOM 0 HA THR A 40 9.020 2.185 -3.933 1.00 0.00 H new ATOM 0 HB THR A 40 9.399 -0.550 -3.955 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.780 0.634 -2.860 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.217 -0.082 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.824 0.995 -5.806 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.278 1.602 -4.980 1.00 0.00 H new ATOM 638 N GLY A 41 6.972 0.628 -3.536 1.00 0.00 N ATOM 639 CA GLY A 41 5.716 0.080 -3.087 1.00 0.00 C ATOM 640 C GLY A 41 4.566 0.268 -4.049 1.00 0.00 C ATOM 641 O GLY A 41 4.755 0.519 -5.239 1.00 0.00 O ATOM 0 H GLY A 41 7.047 0.796 -4.539 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.846 -0.986 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.454 0.540 -2.134 1.00 0.00 H new ATOM 645 N ILE A 42 3.365 0.140 -3.502 1.00 0.00 N ATOM 646 CA ILE A 42 2.131 0.266 -4.265 1.00 0.00 C ATOM 647 C ILE A 42 0.999 0.749 -3.363 1.00 0.00 C ATOM 648 O ILE A 42 1.038 0.557 -2.149 1.00 0.00 O ATOM 649 CB ILE A 42 1.738 -1.083 -4.915 1.00 0.00 C ATOM 650 CG1 ILE A 42 0.262 -1.104 -5.322 1.00 0.00 C ATOM 651 CG2 ILE A 42 2.008 -2.208 -3.948 1.00 0.00 C ATOM 652 CD1 ILE A 42 -0.036 -2.017 -6.488 1.00 0.00 C ATOM 0 H ILE A 42 3.219 -0.055 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 42 2.300 0.996 -5.056 1.00 0.00 H new ATOM 0 HB ILE A 42 2.339 -1.209 -5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.337 -1.416 -4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.049 -0.091 -5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.731 -3.157 -4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.068 -2.223 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.421 -2.058 -3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.101 -1.978 -6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.535 -1.694 -7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.243 -3.039 -6.231 1.00 0.00 H new ATOM 664 N LEU A 43 0.002 1.378 -3.961 1.00 0.00 N ATOM 665 CA LEU A 43 -1.142 1.877 -3.218 1.00 0.00 C ATOM 666 C LEU A 43 -2.425 1.189 -3.666 1.00 0.00 C ATOM 667 O LEU A 43 -2.468 0.558 -4.721 1.00 0.00 O ATOM 668 CB LEU A 43 -1.278 3.382 -3.399 1.00 0.00 C ATOM 669 CG LEU A 43 -0.927 4.212 -2.174 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.130 5.680 -2.476 1.00 0.00 C ATOM 671 CD2 LEU A 43 -1.766 3.788 -0.978 1.00 0.00 C ATOM 0 H LEU A 43 -0.038 1.556 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.978 1.656 -2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.638 3.693 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.304 3.606 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 43 0.121 4.045 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.877 6.271 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.487 5.973 -3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.172 5.856 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.499 4.395 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.823 3.928 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.579 2.737 -0.756 1.00 0.00 H new ATOM 683 N LEU A 44 -3.463 1.314 -2.851 1.00 0.00 N ATOM 684 CA LEU A 44 -4.749 0.706 -3.148 1.00 0.00 C ATOM 685 C LEU A 44 -5.901 1.602 -2.723 1.00 0.00 C ATOM 686 O LEU A 44 -5.776 2.394 -1.794 1.00 0.00 O ATOM 687 CB LEU A 44 -4.872 -0.645 -2.450 1.00 0.00 C ATOM 688 CG LEU A 44 -4.293 -1.820 -3.226 1.00 0.00 C ATOM 689 CD1 LEU A 44 -2.858 -2.094 -2.815 1.00 0.00 C ATOM 690 CD2 LEU A 44 -5.147 -3.056 -3.029 1.00 0.00 C ATOM 0 H LEU A 44 -3.437 1.835 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.802 0.566 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.373 -0.585 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.926 -0.842 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.295 -1.559 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.471 -2.938 -3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.248 -1.212 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.823 -2.329 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.720 -3.887 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.178 -3.312 -1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.158 -2.860 -3.385 1.00 0.00 H new ATOM 702 N PHE A 45 -7.018 1.473 -3.424 1.00 0.00 N ATOM 703 CA PHE A 45 -8.213 2.244 -3.116 1.00 0.00 C ATOM 704 C PHE A 45 -9.452 1.436 -3.484 1.00 0.00 C ATOM 705 O PHE A 45 -9.529 0.878 -4.574 1.00 0.00 O ATOM 706 CB PHE A 45 -8.197 3.583 -3.858 1.00 0.00 C ATOM 707 CG PHE A 45 -9.251 4.547 -3.391 1.00 0.00 C ATOM 708 CD1 PHE A 45 -9.309 4.940 -2.062 1.00 0.00 C ATOM 709 CD2 PHE A 45 -10.178 5.065 -4.280 1.00 0.00 C ATOM 710 CE1 PHE A 45 -10.273 5.832 -1.631 1.00 0.00 C ATOM 711 CE2 PHE A 45 -11.145 5.956 -3.854 1.00 0.00 C ATOM 712 CZ PHE A 45 -11.192 6.341 -2.528 1.00 0.00 C ATOM 0 H PHE A 45 -7.121 0.837 -4.215 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.234 2.455 -2.047 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.217 4.044 -3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.333 3.399 -4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.593 4.545 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.145 4.769 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.308 6.131 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.863 6.351 -4.557 1.00 0.00 H new ATOM 0 HZ PHE A 45 -11.946 7.038 -2.193 1.00 0.00 H new ATOM 722 N ASN A 46 -10.421 1.380 -2.583 1.00 0.00 N ATOM 723 CA ASN A 46 -11.635 0.617 -2.831 1.00 0.00 C ATOM 724 C ASN A 46 -12.845 1.526 -2.743 1.00 0.00 C ATOM 725 O ASN A 46 -13.985 1.064 -2.679 1.00 0.00 O ATOM 726 CB ASN A 46 -11.759 -0.531 -1.827 1.00 0.00 C ATOM 727 CG ASN A 46 -12.200 -0.059 -0.455 1.00 0.00 C ATOM 728 OD1 ASN A 46 -11.237 0.273 0.396 1.00 0.00 O flip ATOM 729 ND2 ASN A 46 -13.394 0.005 -0.163 1.00 0.00 N flip ATOM 0 H ASN A 46 -10.391 1.851 -1.679 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.584 0.193 -3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.474 -1.262 -2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.799 -1.039 -1.741 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.102 -0.260 -0.848 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.676 0.323 0.764 1.00 0.00 H new ATOM 736 N GLY A 47 -12.584 2.828 -2.738 1.00 0.00 N ATOM 737 CA GLY A 47 -13.653 3.793 -2.654 1.00 0.00 C ATOM 738 C GLY A 47 -13.890 4.267 -1.239 1.00 0.00 C ATOM 739 O GLY A 47 -14.750 5.114 -0.996 1.00 0.00 O ATOM 0 H GLY A 47 -11.648 3.229 -2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.417 4.649 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.570 3.351 -3.045 1.00 0.00 H new ATOM 743 N LEU A 48 -13.127 3.720 -0.300 1.00 0.00 N ATOM 744 CA LEU A 48 -13.266 4.094 1.098 1.00 0.00 C ATOM 745 C LEU A 48 -11.932 4.034 1.828 1.00 0.00 C ATOM 746 O LEU A 48 -11.644 4.887 2.660 1.00 0.00 O ATOM 747 CB LEU A 48 -14.279 3.178 1.790 1.00 0.00 C ATOM 748 CG LEU A 48 -14.887 3.714 3.098 1.00 0.00 C ATOM 749 CD1 LEU A 48 -13.868 3.681 4.229 1.00 0.00 C ATOM 750 CD2 LEU A 48 -15.426 5.126 2.904 1.00 0.00 C ATOM 0 H LEU A 48 -12.409 3.019 -0.482 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.623 5.123 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.091 2.974 1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.793 2.226 2.002 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.717 3.063 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.324 4.065 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.539 2.655 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.010 4.299 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.851 5.485 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.615 5.786 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.198 5.118 2.135 1.00 0.00 H new ATOM 762 N GLN A 49 -11.115 3.033 1.511 1.00 0.00 N ATOM 763 CA GLN A 49 -9.829 2.873 2.189 1.00 0.00 C ATOM 764 C GLN A 49 -8.630 2.955 1.243 1.00 0.00 C ATOM 765 O GLN A 49 -8.758 2.795 0.030 1.00 0.00 O ATOM 766 CB GLN A 49 -9.796 1.530 2.922 1.00 0.00 C ATOM 767 CG GLN A 49 -10.819 1.417 4.041 1.00 0.00 C ATOM 768 CD GLN A 49 -10.816 0.066 4.729 1.00 0.00 C ATOM 769 OE1 GLN A 49 -10.509 -0.991 3.989 1.00 0.00 O flip ATOM 770 NE2 GLN A 49 -11.096 -0.028 5.925 1.00 0.00 N flip ATOM 0 H GLN A 49 -11.315 2.329 0.800 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.743 3.703 2.890 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.968 0.730 2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.800 1.377 3.336 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.624 2.193 4.781 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.813 1.607 3.635 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.327 0.808 6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.097 -0.942 6.378 1.00 0.00 H new ATOM 779 N PHE A 50 -7.458 3.202 1.837 1.00 0.00 N ATOM 780 CA PHE A 50 -6.197 3.289 1.101 1.00 0.00 C ATOM 781 C PHE A 50 -5.175 2.332 1.701 1.00 0.00 C ATOM 782 O PHE A 50 -4.685 2.555 2.806 1.00 0.00 O ATOM 783 CB PHE A 50 -5.616 4.700 1.157 1.00 0.00 C ATOM 784 CG PHE A 50 -6.080 5.623 0.069 1.00 0.00 C ATOM 785 CD1 PHE A 50 -5.684 5.435 -1.249 1.00 0.00 C ATOM 786 CD2 PHE A 50 -6.895 6.700 0.369 1.00 0.00 C ATOM 787 CE1 PHE A 50 -6.095 6.298 -2.234 1.00 0.00 C ATOM 788 CE2 PHE A 50 -7.306 7.569 -0.614 1.00 0.00 C ATOM 789 CZ PHE A 50 -6.904 7.364 -1.917 1.00 0.00 C ATOM 0 H PHE A 50 -7.359 3.347 2.842 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.407 3.027 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.870 5.143 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.529 4.631 1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.046 4.601 -1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.213 6.860 1.389 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.784 6.140 -3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.940 8.408 -0.367 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.226 8.044 -2.692 1.00 0.00 H new ATOM 799 N PHE A 51 -4.852 1.279 0.973 1.00 0.00 N ATOM 800 CA PHE A 51 -3.877 0.304 1.444 1.00 0.00 C ATOM 801 C PHE A 51 -2.546 0.551 0.755 1.00 0.00 C ATOM 802 O PHE A 51 -2.493 0.631 -0.466 1.00 0.00 O ATOM 803 CB PHE A 51 -4.378 -1.105 1.158 1.00 0.00 C ATOM 804 CG PHE A 51 -3.398 -2.189 1.500 1.00 0.00 C ATOM 805 CD1 PHE A 51 -3.358 -2.743 2.768 1.00 0.00 C ATOM 806 CD2 PHE A 51 -2.522 -2.660 0.540 1.00 0.00 C ATOM 807 CE1 PHE A 51 -2.455 -3.748 3.066 1.00 0.00 C ATOM 808 CE2 PHE A 51 -1.623 -3.662 0.832 1.00 0.00 C ATOM 809 CZ PHE A 51 -1.587 -4.209 2.094 1.00 0.00 C ATOM 0 H PHE A 51 -5.247 1.074 0.055 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.741 0.409 2.520 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.298 -1.272 1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.631 -1.181 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.036 -2.388 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.543 -2.236 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.428 -4.173 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.946 -4.018 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.883 -4.995 2.324 1.00 0.00 H new ATOM 819 N GLN A 52 -1.466 0.654 1.515 1.00 0.00 N ATOM 820 CA GLN A 52 -0.182 0.937 0.903 1.00 0.00 C ATOM 821 C GLN A 52 0.919 -0.008 1.332 1.00 0.00 C ATOM 822 O GLN A 52 1.216 -0.156 2.518 1.00 0.00 O ATOM 823 CB GLN A 52 0.256 2.362 1.215 1.00 0.00 C ATOM 824 CG GLN A 52 1.436 2.813 0.370 1.00 0.00 C ATOM 825 CD GLN A 52 1.864 4.227 0.668 1.00 0.00 C ATOM 826 OE1 GLN A 52 1.312 5.174 -0.067 1.00 0.00 O flip ATOM 827 NE2 GLN A 52 2.687 4.468 1.547 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.453 0.549 2.529 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.335 0.801 -0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.582 3.039 1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.522 2.433 2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.277 2.141 0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.173 2.733 -0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.089 3.705 2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.968 5.431 1.732 1.00 0.00 H new ATOM 836 N VAL A 53 1.523 -0.640 0.341 1.00 0.00 N ATOM 837 CA VAL A 53 2.653 -1.518 0.574 1.00 0.00 C ATOM 838 C VAL A 53 3.912 -0.700 0.394 1.00 0.00 C ATOM 839 O VAL A 53 4.323 -0.427 -0.727 1.00 0.00 O ATOM 840 CB VAL A 53 2.684 -2.718 -0.392 1.00 0.00 C ATOM 841 CG1 VAL A 53 4.067 -3.356 -0.421 1.00 0.00 C ATOM 842 CG2 VAL A 53 1.638 -3.737 0.003 1.00 0.00 C ATOM 0 H VAL A 53 1.247 -0.560 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 53 2.572 -1.927 1.581 1.00 0.00 H new ATOM 0 HB VAL A 53 2.457 -2.356 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.064 -4.201 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.800 -2.621 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.328 -3.704 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.671 -4.579 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.838 -4.090 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.650 -3.277 -0.033 1.00 0.00 H new ATOM 852 N LEU A 54 4.512 -0.292 1.494 1.00 0.00 N ATOM 853 CA LEU A 54 5.703 0.536 1.423 1.00 0.00 C ATOM 854 C LEU A 54 6.953 -0.247 1.801 1.00 0.00 C ATOM 855 O LEU A 54 6.937 -1.071 2.715 1.00 0.00 O ATOM 856 CB LEU A 54 5.544 1.755 2.332 1.00 0.00 C ATOM 857 CG LEU A 54 6.241 3.024 1.851 1.00 0.00 C ATOM 858 CD1 LEU A 54 5.497 3.635 0.668 1.00 0.00 C ATOM 859 CD2 LEU A 54 6.347 4.017 2.994 1.00 0.00 C ATOM 0 H LEU A 54 4.200 -0.516 2.439 1.00 0.00 H new ATOM 0 HA LEU A 54 5.822 0.868 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.481 1.966 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.927 1.503 3.321 1.00 0.00 H new ATOM 0 HG LEU A 54 7.246 2.768 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.012 4.539 0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.467 2.918 -0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.480 3.885 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.846 4.921 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.348 4.268 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.923 3.576 3.807 1.00 0.00 H new ATOM 871 N GLU A 55 8.036 0.023 1.083 1.00 0.00 N ATOM 872 CA GLU A 55 9.310 -0.646 1.326 1.00 0.00 C ATOM 873 C GLU A 55 10.439 0.372 1.418 1.00 0.00 C ATOM 874 O GLU A 55 10.276 1.527 1.032 1.00 0.00 O ATOM 875 CB GLU A 55 9.610 -1.658 0.216 1.00 0.00 C ATOM 876 CG GLU A 55 8.382 -2.090 -0.567 1.00 0.00 C ATOM 877 CD GLU A 55 8.464 -3.530 -1.034 1.00 0.00 C ATOM 878 OE1 GLU A 55 9.070 -3.775 -2.099 1.00 0.00 O ATOM 879 OE2 GLU A 55 7.924 -4.413 -0.335 1.00 0.00 O ATOM 0 H GLU A 55 8.058 0.704 0.324 1.00 0.00 H new ATOM 0 HA GLU A 55 9.237 -1.178 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.335 -1.224 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.077 -2.539 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.496 -1.964 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.259 -1.438 -1.432 1.00 0.00 H new ATOM 886 N GLY A 56 11.585 -0.063 1.924 1.00 0.00 N ATOM 887 CA GLY A 56 12.720 0.827 2.065 1.00 0.00 C ATOM 888 C GLY A 56 13.246 0.861 3.486 1.00 0.00 C ATOM 889 O GLY A 56 12.723 0.173 4.362 1.00 0.00 O ATOM 0 H GLY A 56 11.749 -1.019 2.240 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.516 0.508 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.431 1.833 1.762 1.00 0.00 H new ATOM 893 N THR A 57 14.279 1.664 3.717 1.00 0.00 N ATOM 894 CA THR A 57 14.870 1.781 5.043 1.00 0.00 C ATOM 895 C THR A 57 13.833 2.211 6.068 1.00 0.00 C ATOM 896 O THR A 57 12.999 3.073 5.799 1.00 0.00 O ATOM 897 CB THR A 57 16.037 2.780 5.058 1.00 0.00 C ATOM 898 OG1 THR A 57 15.730 3.910 4.233 1.00 0.00 O ATOM 899 CG2 THR A 57 17.312 2.114 4.572 1.00 0.00 C ATOM 0 H THR A 57 14.723 2.242 3.004 1.00 0.00 H new ATOM 0 HA THR A 57 15.250 0.794 5.305 1.00 0.00 H new ATOM 0 HB THR A 57 16.189 3.119 6.083 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.479 4.541 4.251 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.129 2.836 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.556 1.275 5.224 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.168 1.752 3.554 1.00 0.00 H new ATOM 907 N GLU A 58 13.899 1.600 7.247 1.00 0.00 N ATOM 908 CA GLU A 58 12.964 1.901 8.327 1.00 0.00 C ATOM 909 C GLU A 58 12.907 3.397 8.607 1.00 0.00 C ATOM 910 O GLU A 58 11.861 3.929 8.976 1.00 0.00 O ATOM 911 CB GLU A 58 13.366 1.156 9.598 1.00 0.00 C ATOM 912 CG GLU A 58 12.309 1.214 10.689 1.00 0.00 C ATOM 913 CD GLU A 58 12.779 0.590 11.989 1.00 0.00 C ATOM 914 OE1 GLU A 58 13.366 1.315 12.818 1.00 0.00 O ATOM 915 OE2 GLU A 58 12.558 -0.625 12.177 1.00 0.00 O ATOM 0 H GLU A 58 14.594 0.890 7.480 1.00 0.00 H new ATOM 0 HA GLU A 58 11.974 1.572 8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.567 0.113 9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.296 1.578 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.033 2.253 10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.411 0.700 10.347 1.00 0.00 H new ATOM 922 N GLU A 59 14.040 4.066 8.441 1.00 0.00 N ATOM 923 CA GLU A 59 14.114 5.503 8.673 1.00 0.00 C ATOM 924 C GLU A 59 13.227 6.262 7.702 1.00 0.00 C ATOM 925 O GLU A 59 12.627 7.280 8.047 1.00 0.00 O ATOM 926 CB GLU A 59 15.548 5.988 8.560 1.00 0.00 C ATOM 927 CG GLU A 59 16.204 5.673 7.226 1.00 0.00 C ATOM 928 CD GLU A 59 17.635 6.166 7.150 1.00 0.00 C ATOM 929 OE1 GLU A 59 17.838 7.354 6.823 1.00 0.00 O ATOM 930 OE2 GLU A 59 18.555 5.363 7.416 1.00 0.00 O ATOM 0 H GLU A 59 14.918 3.639 8.147 1.00 0.00 H new ATOM 0 HA GLU A 59 13.755 5.696 9.684 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.569 7.066 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.137 5.537 9.358 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.185 4.596 7.062 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.624 6.128 6.423 1.00 0.00 H new ATOM 937 N ALA A 60 13.152 5.752 6.486 1.00 0.00 N ATOM 938 CA ALA A 60 12.338 6.359 5.443 1.00 0.00 C ATOM 939 C ALA A 60 10.872 5.975 5.606 1.00 0.00 C ATOM 940 O ALA A 60 9.983 6.796 5.389 1.00 0.00 O ATOM 941 CB ALA A 60 12.845 5.944 4.069 1.00 0.00 C ATOM 0 H ALA A 60 13.649 4.911 6.193 1.00 0.00 H new ATOM 0 HA ALA A 60 12.418 7.442 5.534 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.227 6.405 3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.878 6.270 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.793 4.859 3.974 1.00 0.00 H new ATOM 947 N LEU A 61 10.627 4.725 5.991 1.00 0.00 N ATOM 948 CA LEU A 61 9.263 4.237 6.180 1.00 0.00 C ATOM 949 C LEU A 61 8.565 4.972 7.315 1.00 0.00 C ATOM 950 O LEU A 61 7.404 5.350 7.191 1.00 0.00 O ATOM 951 CB LEU A 61 9.257 2.738 6.462 1.00 0.00 C ATOM 952 CG LEU A 61 10.090 1.883 5.504 1.00 0.00 C ATOM 953 CD1 LEU A 61 9.790 0.408 5.706 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.836 2.278 4.056 1.00 0.00 C ATOM 0 H LEU A 61 11.353 4.033 6.178 1.00 0.00 H new ATOM 0 HA LEU A 61 8.719 4.428 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.621 2.576 7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.226 2.385 6.433 1.00 0.00 H new ATOM 0 HG LEU A 61 11.142 2.060 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.392 -0.184 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.030 0.125 6.731 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.733 0.222 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.441 1.655 3.397 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.781 2.138 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.104 3.325 3.912 1.00 0.00 H new ATOM 966 N GLU A 62 9.272 5.171 8.419 1.00 0.00 N ATOM 967 CA GLU A 62 8.706 5.859 9.571 1.00 0.00 C ATOM 968 C GLU A 62 8.252 7.262 9.191 1.00 0.00 C ATOM 969 O GLU A 62 7.081 7.610 9.330 1.00 0.00 O ATOM 970 CB GLU A 62 9.741 5.945 10.690 1.00 0.00 C ATOM 971 CG GLU A 62 9.161 6.376 12.028 1.00 0.00 C ATOM 972 CD GLU A 62 8.136 5.395 12.563 1.00 0.00 C ATOM 973 OE1 GLU A 62 8.537 4.432 13.248 1.00 0.00 O ATOM 974 OE2 GLU A 62 6.932 5.591 12.298 1.00 0.00 O ATOM 0 H GLU A 62 10.238 4.866 8.541 1.00 0.00 H new ATOM 0 HA GLU A 62 7.842 5.291 9.917 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.218 4.972 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.521 6.649 10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.969 6.483 12.752 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.698 7.357 11.920 1.00 0.00 H new ATOM 981 N SER A 63 9.198 8.056 8.710 1.00 0.00 N ATOM 982 CA SER A 63 8.929 9.430 8.302 1.00 0.00 C ATOM 983 C SER A 63 7.823 9.503 7.255 1.00 0.00 C ATOM 984 O SER A 63 6.910 10.321 7.356 1.00 0.00 O ATOM 985 CB SER A 63 10.193 10.067 7.736 1.00 0.00 C ATOM 986 OG SER A 63 11.170 10.259 8.745 1.00 0.00 O ATOM 0 H SER A 63 10.170 7.769 8.591 1.00 0.00 H new ATOM 0 HA SER A 63 8.601 9.973 9.188 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.601 9.433 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.946 11.025 7.279 1.00 0.00 H new ATOM 0 HG SER A 63 11.970 10.667 8.352 1.00 0.00 H new ATOM 992 N LEU A 64 7.914 8.636 6.255 1.00 0.00 N ATOM 993 CA LEU A 64 6.943 8.600 5.172 1.00 0.00 C ATOM 994 C LEU A 64 5.571 8.301 5.733 1.00 0.00 C ATOM 995 O LEU A 64 4.652 9.108 5.641 1.00 0.00 O ATOM 996 CB LEU A 64 7.359 7.520 4.175 1.00 0.00 C ATOM 997 CG LEU A 64 6.768 7.627 2.771 1.00 0.00 C ATOM 998 CD1 LEU A 64 5.284 7.364 2.796 1.00 0.00 C ATOM 999 CD2 LEU A 64 7.034 8.992 2.169 1.00 0.00 C ATOM 0 H LEU A 64 8.658 7.943 6.173 1.00 0.00 H new ATOM 0 HA LEU A 64 6.908 9.564 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.446 7.534 4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.084 6.550 4.588 1.00 0.00 H new ATOM 0 HG LEU A 64 7.253 6.873 2.152 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.883 7.445 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.099 6.361 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.796 8.095 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.602 9.039 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.582 9.761 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.109 9.159 2.108 1.00 0.00 H new ATOM 1011 N PHE A 65 5.452 7.117 6.292 1.00 0.00 N ATOM 1012 CA PHE A 65 4.222 6.663 6.911 1.00 0.00 C ATOM 1013 C PHE A 65 3.675 7.714 7.874 1.00 0.00 C ATOM 1014 O PHE A 65 2.464 7.807 8.088 1.00 0.00 O ATOM 1015 CB PHE A 65 4.518 5.349 7.627 1.00 0.00 C ATOM 1016 CG PHE A 65 3.449 4.850 8.544 1.00 0.00 C ATOM 1017 CD1 PHE A 65 2.158 4.702 8.093 1.00 0.00 C ATOM 1018 CD2 PHE A 65 3.751 4.503 9.849 1.00 0.00 C ATOM 1019 CE1 PHE A 65 1.173 4.217 8.929 1.00 0.00 C ATOM 1020 CE2 PHE A 65 2.772 4.019 10.692 1.00 0.00 C ATOM 1021 CZ PHE A 65 1.480 3.876 10.232 1.00 0.00 C ATOM 0 H PHE A 65 6.210 6.436 6.331 1.00 0.00 H new ATOM 0 HA PHE A 65 3.453 6.506 6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.711 4.584 6.875 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.436 5.470 8.202 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.913 4.968 7.075 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.763 4.612 10.211 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.163 4.104 8.565 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.017 3.753 11.710 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.710 3.498 10.889 1.00 0.00 H new ATOM 1031 N SER A 66 4.572 8.510 8.450 1.00 0.00 N ATOM 1032 CA SER A 66 4.164 9.566 9.366 1.00 0.00 C ATOM 1033 C SER A 66 3.609 10.746 8.581 1.00 0.00 C ATOM 1034 O SER A 66 2.740 11.472 9.063 1.00 0.00 O ATOM 1035 CB SER A 66 5.336 10.014 10.240 1.00 0.00 C ATOM 1036 OG SER A 66 5.734 8.983 11.128 1.00 0.00 O ATOM 0 H SER A 66 5.579 8.443 8.299 1.00 0.00 H new ATOM 0 HA SER A 66 3.385 9.174 10.020 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.177 10.298 9.608 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.052 10.899 10.809 1.00 0.00 H new ATOM 0 HG SER A 66 6.192 8.277 10.626 1.00 0.00 H new ATOM 1042 N GLU A 67 4.120 10.932 7.366 1.00 0.00 N ATOM 1043 CA GLU A 67 3.654 11.999 6.505 1.00 0.00 C ATOM 1044 C GLU A 67 2.252 11.659 6.040 1.00 0.00 C ATOM 1045 O GLU A 67 1.427 12.531 5.768 1.00 0.00 O ATOM 1046 CB GLU A 67 4.585 12.136 5.305 1.00 0.00 C ATOM 1047 CG GLU A 67 5.992 12.569 5.673 1.00 0.00 C ATOM 1048 CD GLU A 67 6.233 14.047 5.436 1.00 0.00 C ATOM 1049 OE1 GLU A 67 5.840 14.859 6.300 1.00 0.00 O ATOM 1050 OE2 GLU A 67 6.818 14.393 4.388 1.00 0.00 O ATOM 0 H GLU A 67 4.857 10.354 6.962 1.00 0.00 H new ATOM 0 HA GLU A 67 3.646 12.945 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.633 11.181 4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.162 12.860 4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.175 12.340 6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.709 11.991 5.091 1.00 0.00 H new ATOM 1057 N ILE A 68 2.013 10.359 5.957 1.00 0.00 N ATOM 1058 CA ILE A 68 0.738 9.816 5.551 1.00 0.00 C ATOM 1059 C ILE A 68 -0.351 10.175 6.546 1.00 0.00 C ATOM 1060 O ILE A 68 -1.314 10.839 6.192 1.00 0.00 O ATOM 1061 CB ILE A 68 0.864 8.291 5.390 1.00 0.00 C ATOM 1062 CG1 ILE A 68 1.381 7.964 3.993 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -0.456 7.567 5.647 1.00 0.00 C ATOM 1064 CD1 ILE A 68 2.456 8.897 3.501 1.00 0.00 C ATOM 0 H ILE A 68 2.711 9.648 6.174 1.00 0.00 H new ATOM 0 HA ILE A 68 0.453 10.252 4.593 1.00 0.00 H new ATOM 0 HB ILE A 68 1.572 7.938 6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.770 6.946 3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.546 7.988 3.293 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.313 6.494 5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.791 7.771 6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.207 7.919 4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.769 8.596 2.501 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.068 9.915 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.310 8.856 4.177 1.00 0.00 H new ATOM 1076 N GLN A 69 -0.184 9.767 7.800 1.00 0.00 N ATOM 1077 CA GLN A 69 -1.196 10.049 8.813 1.00 0.00 C ATOM 1078 C GLN A 69 -1.410 11.552 8.977 1.00 0.00 C ATOM 1079 O GLN A 69 -2.358 11.984 9.634 1.00 0.00 O ATOM 1080 CB GLN A 69 -0.808 9.427 10.148 1.00 0.00 C ATOM 1081 CG GLN A 69 -0.358 7.980 10.050 1.00 0.00 C ATOM 1082 CD GLN A 69 0.004 7.402 11.405 1.00 0.00 C ATOM 1083 OE1 GLN A 69 -0.605 7.742 12.420 1.00 0.00 O ATOM 1084 NE2 GLN A 69 1.010 6.538 11.430 1.00 0.00 N ATOM 0 H GLN A 69 0.628 9.249 8.136 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.133 9.605 8.477 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.006 10.017 10.592 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.660 9.486 10.826 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.153 7.383 9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.504 7.913 9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.486 6.285 10.564 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.307 6.127 12.315 1.00 0.00 H new ATOM 1093 N SER A 70 -0.527 12.343 8.376 1.00 0.00 N ATOM 1094 CA SER A 70 -0.625 13.797 8.448 1.00 0.00 C ATOM 1095 C SER A 70 -1.387 14.343 7.244 1.00 0.00 C ATOM 1096 O SER A 70 -1.387 15.548 6.987 1.00 0.00 O ATOM 1097 CB SER A 70 0.770 14.420 8.509 1.00 0.00 C ATOM 1098 OG SER A 70 0.696 15.829 8.645 1.00 0.00 O ATOM 0 H SER A 70 0.266 12.001 7.833 1.00 0.00 H new ATOM 0 HA SER A 70 -1.170 14.060 9.355 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.323 13.999 9.349 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.324 14.168 7.605 1.00 0.00 H new ATOM 0 HG SER A 70 -0.060 16.169 8.123 1.00 0.00 H new ATOM 1104 N ASP A 71 -2.035 13.444 6.510 1.00 0.00 N ATOM 1105 CA ASP A 71 -2.801 13.820 5.328 1.00 0.00 C ATOM 1106 C ASP A 71 -4.288 13.954 5.665 1.00 0.00 C ATOM 1107 O ASP A 71 -4.812 13.207 6.492 1.00 0.00 O ATOM 1108 CB ASP A 71 -2.595 12.780 4.226 1.00 0.00 C ATOM 1109 CG ASP A 71 -1.892 13.356 3.015 1.00 0.00 C ATOM 1110 OD1 ASP A 71 -2.562 14.024 2.200 1.00 0.00 O ATOM 1111 OD2 ASP A 71 -0.668 13.143 2.882 1.00 0.00 O ATOM 0 H ASP A 71 -2.044 12.445 6.715 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.446 14.788 4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.012 11.948 4.620 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.562 12.377 3.924 1.00 0.00 H new ATOM 1116 N PRO A 72 -4.990 14.912 5.025 1.00 0.00 N ATOM 1117 CA PRO A 72 -6.412 15.154 5.274 1.00 0.00 C ATOM 1118 C PRO A 72 -7.340 14.254 4.460 1.00 0.00 C ATOM 1119 O PRO A 72 -8.475 14.000 4.867 1.00 0.00 O ATOM 1120 CB PRO A 72 -6.576 16.607 4.845 1.00 0.00 C ATOM 1121 CG PRO A 72 -5.600 16.781 3.731 1.00 0.00 C ATOM 1122 CD PRO A 72 -4.452 15.843 4.011 1.00 0.00 C ATOM 0 HA PRO A 72 -6.682 14.945 6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.595 16.811 4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.365 17.290 5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.063 16.551 2.771 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.253 17.813 3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.139 15.315 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.580 16.380 4.385 1.00 0.00 H new ATOM 1130 N ARG A 73 -6.866 13.780 3.310 1.00 0.00 N ATOM 1131 CA ARG A 73 -7.674 12.917 2.452 1.00 0.00 C ATOM 1132 C ARG A 73 -8.187 11.706 3.227 1.00 0.00 C ATOM 1133 O ARG A 73 -9.344 11.679 3.645 1.00 0.00 O ATOM 1134 CB ARG A 73 -6.869 12.475 1.234 1.00 0.00 C ATOM 1135 CG ARG A 73 -7.649 11.595 0.276 1.00 0.00 C ATOM 1136 CD ARG A 73 -6.955 11.495 -1.069 1.00 0.00 C ATOM 1137 NE ARG A 73 -6.756 12.808 -1.676 1.00 0.00 N ATOM 1138 CZ ARG A 73 -5.797 13.082 -2.555 1.00 0.00 C ATOM 1139 NH1 ARG A 73 -4.942 12.140 -2.922 1.00 0.00 N ATOM 1140 NH2 ARG A 73 -5.692 14.301 -3.067 1.00 0.00 N ATOM 0 H ARG A 73 -5.931 13.978 2.952 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.537 13.487 2.108 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.520 13.359 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.984 11.935 1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.763 10.599 0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.652 12.000 0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.991 11.002 -0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.548 10.871 -1.738 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.391 13.560 -1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.018 11.201 -2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.207 12.353 -3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.348 15.030 -2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.956 14.509 -3.741 1.00 0.00 H new ATOM 1154 N HIS A 74 -7.334 10.700 3.409 1.00 0.00 N ATOM 1155 CA HIS A 74 -7.720 9.514 4.166 1.00 0.00 C ATOM 1156 C HIS A 74 -7.947 9.906 5.626 1.00 0.00 C ATOM 1157 O HIS A 74 -8.198 11.075 5.916 1.00 0.00 O ATOM 1158 CB HIS A 74 -6.645 8.436 4.058 1.00 0.00 C ATOM 1159 CG HIS A 74 -5.272 8.922 4.387 1.00 0.00 C ATOM 1160 ND1 HIS A 74 -4.141 8.475 3.742 1.00 0.00 N ATOM 1161 CD2 HIS A 74 -4.850 9.821 5.304 1.00 0.00 C ATOM 1162 CE1 HIS A 74 -3.084 9.077 4.251 1.00 0.00 C ATOM 1163 NE2 HIS A 74 -3.490 9.899 5.201 1.00 0.00 N ATOM 0 H HIS A 74 -6.381 10.683 3.046 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.643 9.106 3.755 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.899 7.613 4.726 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.646 8.035 3.044 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.473 10.375 5.991 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.060 8.924 3.943 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.886 10.496 5.766 1.00 0.00 H new ATOM 1172 N ARG A 75 -7.858 8.956 6.557 1.00 0.00 N ATOM 1173 CA ARG A 75 -8.065 9.305 7.961 1.00 0.00 C ATOM 1174 C ARG A 75 -7.549 8.257 8.948 1.00 0.00 C ATOM 1175 O ARG A 75 -6.645 8.533 9.736 1.00 0.00 O ATOM 1176 CB ARG A 75 -9.552 9.559 8.211 1.00 0.00 C ATOM 1177 CG ARG A 75 -10.457 8.499 7.611 1.00 0.00 C ATOM 1178 CD ARG A 75 -11.840 9.049 7.306 1.00 0.00 C ATOM 1179 NE ARG A 75 -12.899 8.182 7.814 1.00 0.00 N ATOM 1180 CZ ARG A 75 -14.178 8.543 7.883 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -14.555 9.748 7.475 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -15.081 7.697 8.359 1.00 0.00 N ATOM 0 H ARG A 75 -7.652 7.974 6.375 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.479 10.206 8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.728 9.610 9.285 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.821 10.531 7.798 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.009 8.113 6.695 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.543 7.660 8.302 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.941 10.041 7.747 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.954 9.166 6.228 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.644 7.248 8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.864 10.401 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.536 10.021 7.529 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.795 6.769 8.672 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.061 7.974 8.412 1.00 0.00 H new ATOM 1196 N ASP A 76 -8.121 7.062 8.904 1.00 0.00 N ATOM 1197 CA ASP A 76 -7.761 6.004 9.845 1.00 0.00 C ATOM 1198 C ASP A 76 -6.564 5.173 9.406 1.00 0.00 C ATOM 1199 O ASP A 76 -6.625 3.942 9.400 1.00 0.00 O ATOM 1200 CB ASP A 76 -8.958 5.093 10.063 1.00 0.00 C ATOM 1201 CG ASP A 76 -8.905 4.366 11.392 1.00 0.00 C ATOM 1202 OD1 ASP A 76 -8.337 3.255 11.441 1.00 0.00 O ATOM 1203 OD2 ASP A 76 -9.433 4.910 12.386 1.00 0.00 O ATOM 0 H ASP A 76 -8.837 6.798 8.227 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.470 6.499 10.772 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.873 5.683 10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.005 4.362 9.255 1.00 0.00 H new ATOM 1208 N VAL A 77 -5.480 5.832 9.040 1.00 0.00 N ATOM 1209 CA VAL A 77 -4.273 5.113 8.650 1.00 0.00 C ATOM 1210 C VAL A 77 -3.682 4.404 9.857 1.00 0.00 C ATOM 1211 O VAL A 77 -3.448 5.008 10.904 1.00 0.00 O ATOM 1212 CB VAL A 77 -3.205 6.026 8.010 1.00 0.00 C ATOM 1213 CG1 VAL A 77 -3.417 7.459 8.415 1.00 0.00 C ATOM 1214 CG2 VAL A 77 -1.809 5.588 8.395 1.00 0.00 C ATOM 0 H VAL A 77 -5.406 6.849 9.003 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.569 4.389 7.891 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.309 5.943 6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.653 8.085 7.953 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.403 7.788 8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.348 7.545 9.499 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.079 6.250 7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.700 5.632 9.479 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.641 4.566 8.055 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.451 3.117 9.693 1.00 0.00 N ATOM 1225 CA VAL A 78 -2.898 2.291 10.749 1.00 0.00 C ATOM 1226 C VAL A 78 -1.767 1.417 10.218 1.00 0.00 C ATOM 1227 O VAL A 78 -1.873 0.836 9.138 1.00 0.00 O ATOM 1228 CB VAL A 78 -3.995 1.409 11.365 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -4.676 0.571 10.294 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -3.430 0.532 12.472 1.00 0.00 C ATOM 0 H VAL A 78 -3.641 2.614 8.826 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.495 2.949 11.519 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.746 2.061 11.810 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.449 -0.046 10.752 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.128 1.228 9.551 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.939 -0.070 9.811 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.226 -0.083 12.892 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.651 -0.112 12.064 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.007 1.162 13.255 1.00 0.00 H new ATOM 1240 N GLU A 79 -0.681 1.335 10.980 1.00 0.00 N ATOM 1241 CA GLU A 79 0.470 0.537 10.580 1.00 0.00 C ATOM 1242 C GLU A 79 0.127 -0.947 10.568 1.00 0.00 C ATOM 1243 O GLU A 79 -0.087 -1.562 11.613 1.00 0.00 O ATOM 1244 CB GLU A 79 1.645 0.791 11.517 1.00 0.00 C ATOM 1245 CG GLU A 79 2.993 0.448 10.907 1.00 0.00 C ATOM 1246 CD GLU A 79 4.145 0.690 11.862 1.00 0.00 C ATOM 1247 OE1 GLU A 79 4.687 1.816 11.866 1.00 0.00 O ATOM 1248 OE2 GLU A 79 4.506 -0.246 12.605 1.00 0.00 O ATOM 0 H GLU A 79 -0.575 1.811 11.876 1.00 0.00 H new ATOM 0 HA GLU A 79 0.750 0.835 9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.645 1.841 11.811 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.507 0.206 12.426 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.993 -0.598 10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.142 1.043 10.006 1.00 0.00 H new ATOM 1255 N LEU A 80 0.080 -1.504 9.370 1.00 0.00 N ATOM 1256 CA LEU A 80 -0.232 -2.911 9.170 1.00 0.00 C ATOM 1257 C LEU A 80 1.021 -3.776 9.243 1.00 0.00 C ATOM 1258 O LEU A 80 0.988 -4.893 9.759 1.00 0.00 O ATOM 1259 CB LEU A 80 -0.886 -3.093 7.799 1.00 0.00 C ATOM 1260 CG LEU A 80 -2.415 -3.092 7.774 1.00 0.00 C ATOM 1261 CD1 LEU A 80 -2.969 -1.891 8.523 1.00 0.00 C ATOM 1262 CD2 LEU A 80 -2.906 -3.084 6.338 1.00 0.00 C ATOM 0 H LEU A 80 0.257 -0.993 8.505 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.911 -3.224 9.963 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.532 -2.298 7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.537 -4.035 7.375 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.769 -3.995 8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.058 -1.913 8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.636 -1.924 9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.611 -0.974 8.056 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.996 -3.083 6.326 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.537 -2.192 5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.538 -3.971 5.823 1.00 0.00 H new ATOM 1274 N MET A 81 2.126 -3.251 8.723 1.00 0.00 N ATOM 1275 CA MET A 81 3.375 -3.988 8.693 1.00 0.00 C ATOM 1276 C MET A 81 4.594 -3.096 8.762 1.00 0.00 C ATOM 1277 O MET A 81 4.511 -1.871 8.668 1.00 0.00 O ATOM 1278 CB MET A 81 3.448 -4.797 7.412 1.00 0.00 C ATOM 1279 CG MET A 81 3.956 -6.198 7.614 1.00 0.00 C ATOM 1280 SD MET A 81 4.208 -7.069 6.060 1.00 0.00 S ATOM 1281 CE MET A 81 5.409 -6.012 5.260 1.00 0.00 C ATOM 0 H MET A 81 2.177 -2.317 8.317 1.00 0.00 H new ATOM 0 HA MET A 81 3.383 -4.628 9.575 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.456 -4.840 6.962 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.097 -4.282 6.703 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.896 -6.164 8.165 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.247 -6.754 8.228 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.716 -6.461 4.315 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.965 -5.035 5.070 1.00 0.00 H new ATOM 0 HE3 MET A 81 6.279 -5.895 5.906 1.00 0.00 H new ATOM 1291 N ARG A 82 5.725 -3.764 8.921 1.00 0.00 N ATOM 1292 CA ARG A 82 7.029 -3.140 8.983 1.00 0.00 C ATOM 1293 C ARG A 82 8.055 -4.177 9.381 1.00 0.00 C ATOM 1294 O ARG A 82 8.324 -4.401 10.562 1.00 0.00 O ATOM 1295 CB ARG A 82 7.065 -1.971 9.942 1.00 0.00 C ATOM 1296 CG ARG A 82 8.375 -1.210 9.904 1.00 0.00 C ATOM 1297 CD ARG A 82 8.222 0.201 10.449 1.00 0.00 C ATOM 1298 NE ARG A 82 7.464 0.231 11.697 1.00 0.00 N ATOM 1299 CZ ARG A 82 8.026 0.318 12.900 1.00 0.00 C ATOM 1300 NH1 ARG A 82 9.347 0.373 13.017 1.00 0.00 N ATOM 1301 NH2 ARG A 82 7.269 0.348 13.987 1.00 0.00 N ATOM 0 H ARG A 82 5.758 -4.779 9.012 1.00 0.00 H new ATOM 0 HA ARG A 82 7.259 -2.742 7.995 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.249 -1.289 9.705 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.892 -2.334 10.955 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.124 -1.746 10.487 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.741 -1.166 8.878 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.209 0.634 10.615 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.722 0.823 9.707 1.00 0.00 H new ATOM 0 HE ARG A 82 6.447 0.183 11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.934 0.349 12.183 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.775 0.440 13.941 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.253 0.304 13.903 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.702 0.415 14.908 1.00 0.00 H new ATOM 1315 N ASP A 83 8.615 -4.801 8.373 1.00 0.00 N ATOM 1316 CA ASP A 83 9.598 -5.864 8.569 1.00 0.00 C ATOM 1317 C ASP A 83 10.860 -5.630 7.754 1.00 0.00 C ATOM 1318 O ASP A 83 10.808 -5.153 6.626 1.00 0.00 O ATOM 1319 CB ASP A 83 8.994 -7.210 8.183 1.00 0.00 C ATOM 1320 CG ASP A 83 9.874 -8.377 8.585 1.00 0.00 C ATOM 1321 OD1 ASP A 83 9.833 -8.770 9.770 1.00 0.00 O ATOM 1322 OD2 ASP A 83 10.606 -8.896 7.716 1.00 0.00 O ATOM 0 H ASP A 83 8.411 -4.595 7.395 1.00 0.00 H new ATOM 0 HA ASP A 83 9.871 -5.863 9.624 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.018 -7.316 8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.831 -7.236 7.106 1.00 0.00 H new ATOM 1327 N TYR A 84 11.991 -6.001 8.333 1.00 0.00 N ATOM 1328 CA TYR A 84 13.278 -5.838 7.674 1.00 0.00 C ATOM 1329 C TYR A 84 13.344 -6.634 6.376 1.00 0.00 C ATOM 1330 O TYR A 84 12.597 -7.594 6.185 1.00 0.00 O ATOM 1331 CB TYR A 84 14.398 -6.271 8.613 1.00 0.00 C ATOM 1332 CG TYR A 84 14.653 -5.259 9.693 1.00 0.00 C ATOM 1333 CD1 TYR A 84 14.972 -3.957 9.358 1.00 0.00 C ATOM 1334 CD2 TYR A 84 14.559 -5.592 11.036 1.00 0.00 C ATOM 1335 CE1 TYR A 84 15.194 -3.009 10.321 1.00 0.00 C ATOM 1336 CE2 TYR A 84 14.784 -4.645 12.017 1.00 0.00 C ATOM 1337 CZ TYR A 84 15.102 -3.352 11.655 1.00 0.00 C ATOM 1338 OH TYR A 84 15.326 -2.402 12.625 1.00 0.00 O ATOM 0 H TYR A 84 12.044 -6.419 9.262 1.00 0.00 H new ATOM 0 HA TYR A 84 13.400 -4.784 7.425 1.00 0.00 H new ATOM 0 HB2 TYR A 84 14.140 -7.228 9.067 1.00 0.00 H new ATOM 0 HB3 TYR A 84 15.312 -6.426 8.039 1.00 0.00 H new ATOM 0 HD1 TYR A 84 15.048 -3.682 8.316 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.307 -6.603 11.319 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.440 -1.996 10.038 1.00 0.00 H new ATOM 0 HE2 TYR A 84 14.711 -4.915 13.060 1.00 0.00 H new ATOM 0 HH TYR A 84 14.573 -1.775 12.649 1.00 0.00 H new ATOM 1348 N SER A 85 14.247 -6.230 5.490 1.00 0.00 N ATOM 1349 CA SER A 85 14.419 -6.897 4.206 1.00 0.00 C ATOM 1350 C SER A 85 15.840 -6.727 3.697 1.00 0.00 C ATOM 1351 O SER A 85 16.663 -6.059 4.325 1.00 0.00 O ATOM 1352 CB SER A 85 13.425 -6.348 3.183 1.00 0.00 C ATOM 1353 OG SER A 85 12.089 -6.568 3.600 1.00 0.00 O ATOM 0 H SER A 85 14.874 -5.439 5.639 1.00 0.00 H new ATOM 0 HA SER A 85 14.228 -7.961 4.347 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.594 -5.280 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.591 -6.826 2.217 1.00 0.00 H new ATOM 0 HG SER A 85 11.547 -5.779 3.389 1.00 0.00 H new ATOM 1359 N ALA A 86 16.120 -7.337 2.555 1.00 0.00 N ATOM 1360 CA ALA A 86 17.445 -7.275 1.961 1.00 0.00 C ATOM 1361 C ALA A 86 17.379 -6.941 0.478 1.00 0.00 C ATOM 1362 O ALA A 86 18.397 -6.945 -0.215 1.00 0.00 O ATOM 1363 CB ALA A 86 18.145 -8.600 2.167 1.00 0.00 C ATOM 0 H ALA A 86 15.444 -7.882 2.020 1.00 0.00 H new ATOM 0 HA ALA A 86 18.006 -6.479 2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 86 19.140 -8.559 1.723 1.00 0.00 H new ATOM 0 HB2 ALA A 86 18.232 -8.803 3.234 1.00 0.00 H new ATOM 0 HB3 ALA A 86 17.568 -9.394 1.692 1.00 0.00 H new ATOM 1369 N TYR A 87 16.178 -6.654 -0.004 1.00 0.00 N ATOM 1370 CA TYR A 87 15.983 -6.334 -1.410 1.00 0.00 C ATOM 1371 C TYR A 87 14.653 -5.620 -1.639 1.00 0.00 C ATOM 1372 O TYR A 87 13.808 -5.553 -0.745 1.00 0.00 O ATOM 1373 CB TYR A 87 16.040 -7.614 -2.245 1.00 0.00 C ATOM 1374 CG TYR A 87 15.212 -8.744 -1.674 1.00 0.00 C ATOM 1375 CD1 TYR A 87 15.668 -9.491 -0.593 1.00 0.00 C ATOM 1376 CD2 TYR A 87 13.975 -9.066 -2.216 1.00 0.00 C ATOM 1377 CE1 TYR A 87 14.915 -10.524 -0.069 1.00 0.00 C ATOM 1378 CE2 TYR A 87 13.215 -10.097 -1.698 1.00 0.00 C ATOM 1379 CZ TYR A 87 13.690 -10.823 -0.625 1.00 0.00 C ATOM 1380 OH TYR A 87 12.935 -11.851 -0.106 1.00 0.00 O ATOM 0 H TYR A 87 15.326 -6.636 0.557 1.00 0.00 H new ATOM 0 HA TYR A 87 16.783 -5.661 -1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.694 -7.395 -3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 87 17.077 -7.939 -2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.628 -9.259 -0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.600 -8.501 -3.057 1.00 0.00 H new ATOM 0 HE1 TYR A 87 15.284 -11.094 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 87 12.254 -10.333 -2.131 1.00 0.00 H new ATOM 0 HH TYR A 87 12.099 -11.930 -0.611 1.00 0.00 H new ATOM 1390 N ARG A 88 14.481 -5.089 -2.845 1.00 0.00 N ATOM 1391 CA ARG A 88 13.261 -4.377 -3.212 1.00 0.00 C ATOM 1392 C ARG A 88 12.464 -5.162 -4.250 1.00 0.00 C ATOM 1393 O ARG A 88 13.020 -5.656 -5.232 1.00 0.00 O ATOM 1394 CB ARG A 88 13.609 -2.993 -3.762 1.00 0.00 C ATOM 1395 CG ARG A 88 13.719 -1.923 -2.696 1.00 0.00 C ATOM 1396 CD ARG A 88 14.102 -0.578 -3.292 1.00 0.00 C ATOM 1397 NE ARG A 88 15.473 -0.573 -3.797 1.00 0.00 N ATOM 1398 CZ ARG A 88 16.104 0.523 -4.210 1.00 0.00 C ATOM 1399 NH1 ARG A 88 15.484 1.696 -4.194 1.00 0.00 N ATOM 1400 NH2 ARG A 88 17.355 0.447 -4.643 1.00 0.00 N ATOM 0 H ARG A 88 15.176 -5.139 -3.590 1.00 0.00 H new ATOM 0 HA ARG A 88 12.647 -4.267 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.554 -3.054 -4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.848 -2.697 -4.484 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.768 -1.832 -2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.463 -2.220 -1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.416 -0.332 -4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.992 0.198 -2.535 1.00 0.00 H new ATOM 0 HE ARG A 88 15.975 -1.460 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.521 1.759 -3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.971 2.534 -4.511 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.835 -0.453 -4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.837 1.288 -4.959 1.00 0.00 H new ATOM 1414 N ARG A 89 11.156 -5.272 -4.025 1.00 0.00 N ATOM 1415 CA ARG A 89 10.278 -5.996 -4.939 1.00 0.00 C ATOM 1416 C ARG A 89 9.779 -5.089 -6.060 1.00 0.00 C ATOM 1417 O ARG A 89 9.905 -5.420 -7.238 1.00 0.00 O ATOM 1418 CB ARG A 89 9.086 -6.587 -4.181 1.00 0.00 C ATOM 1419 CG ARG A 89 9.377 -7.930 -3.526 1.00 0.00 C ATOM 1420 CD ARG A 89 10.487 -7.830 -2.492 1.00 0.00 C ATOM 1421 NE ARG A 89 10.167 -6.877 -1.434 1.00 0.00 N ATOM 1422 CZ ARG A 89 10.561 -7.015 -0.173 1.00 0.00 C ATOM 1423 NH1 ARG A 89 11.278 -8.070 0.191 1.00 0.00 N ATOM 1424 NH2 ARG A 89 10.237 -6.098 0.728 1.00 0.00 N ATOM 0 H ARG A 89 10.682 -4.868 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 89 10.857 -6.806 -5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.769 -5.881 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 89 8.251 -6.704 -4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.471 -8.305 -3.050 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.658 -8.653 -4.291 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.663 -8.812 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.413 -7.529 -2.982 1.00 0.00 H new ATOM 0 HE ARG A 89 9.609 -6.058 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.529 -8.779 -0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.579 -8.172 1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.685 -5.286 0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.540 -6.205 1.696 1.00 0.00 H new ATOM 1438 N PHE A 90 9.208 -3.946 -5.686 1.00 0.00 N ATOM 1439 CA PHE A 90 8.693 -2.995 -6.668 1.00 0.00 C ATOM 1440 C PHE A 90 9.796 -2.047 -7.127 1.00 0.00 C ATOM 1441 O PHE A 90 9.563 -0.853 -7.302 1.00 0.00 O ATOM 1442 CB PHE A 90 7.533 -2.185 -6.079 1.00 0.00 C ATOM 1443 CG PHE A 90 6.451 -3.021 -5.456 1.00 0.00 C ATOM 1444 CD1 PHE A 90 6.513 -3.372 -4.117 1.00 0.00 C ATOM 1445 CD2 PHE A 90 5.369 -3.450 -6.207 1.00 0.00 C ATOM 1446 CE1 PHE A 90 5.514 -4.136 -3.539 1.00 0.00 C ATOM 1447 CE2 PHE A 90 4.368 -4.212 -5.635 1.00 0.00 C ATOM 1448 CZ PHE A 90 4.441 -4.556 -4.300 1.00 0.00 C ATOM 0 H PHE A 90 9.091 -3.657 -4.715 1.00 0.00 H new ATOM 0 HA PHE A 90 8.331 -3.562 -7.526 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.927 -1.502 -5.327 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.095 -1.573 -6.867 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.350 -3.046 -3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 90 5.307 -3.186 -7.252 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.574 -4.403 -2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.529 -4.538 -6.232 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.660 -5.153 -3.852 1.00 0.00 H new ATOM 1458 N HIS A 91 10.994 -2.586 -7.323 1.00 0.00 N ATOM 1459 CA HIS A 91 12.140 -1.787 -7.753 1.00 0.00 C ATOM 1460 C HIS A 91 11.847 -1.036 -9.050 1.00 0.00 C ATOM 1461 O HIS A 91 12.434 0.013 -9.315 1.00 0.00 O ATOM 1462 CB HIS A 91 13.372 -2.678 -7.927 1.00 0.00 C ATOM 1463 CG HIS A 91 13.250 -3.669 -9.046 1.00 0.00 C ATOM 1464 ND1 HIS A 91 14.246 -3.875 -9.977 1.00 0.00 N ATOM 1465 CD2 HIS A 91 12.248 -4.518 -9.375 1.00 0.00 C ATOM 1466 CE1 HIS A 91 13.861 -4.807 -10.830 1.00 0.00 C ATOM 1467 NE2 HIS A 91 12.653 -5.214 -10.487 1.00 0.00 N ATOM 0 H HIS A 91 11.199 -3.576 -7.191 1.00 0.00 H new ATOM 0 HA HIS A 91 12.338 -1.048 -6.977 1.00 0.00 H new ATOM 0 HB2 HIS A 91 14.243 -2.047 -8.106 1.00 0.00 H new ATOM 0 HB3 HIS A 91 13.554 -3.216 -6.996 1.00 0.00 H new ATOM 0 HD2 HIS A 91 11.306 -4.627 -8.859 1.00 0.00 H new ATOM 0 HE1 HIS A 91 14.437 -5.174 -11.667 1.00 0.00 H new ATOM 0 HE2 HIS A 91 12.109 -5.929 -10.970 1.00 0.00 H new ATOM 1476 N GLY A 92 10.938 -1.577 -9.857 1.00 0.00 N ATOM 1477 CA GLY A 92 10.592 -0.939 -11.116 1.00 0.00 C ATOM 1478 C GLY A 92 9.401 -0.009 -10.991 1.00 0.00 C ATOM 1479 O GLY A 92 8.874 0.475 -11.993 1.00 0.00 O ATOM 0 H GLY A 92 10.436 -2.443 -9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.451 -0.376 -11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.373 -1.706 -11.859 1.00 0.00 H new ATOM 1483 N THR A 93 8.979 0.241 -9.756 1.00 0.00 N ATOM 1484 CA THR A 93 7.841 1.115 -9.491 1.00 0.00 C ATOM 1485 C THR A 93 7.871 1.628 -8.053 1.00 0.00 C ATOM 1486 O THR A 93 7.518 0.906 -7.119 1.00 0.00 O ATOM 1487 CB THR A 93 6.504 0.386 -9.730 1.00 0.00 C ATOM 1488 OG1 THR A 93 6.537 -0.308 -10.983 1.00 0.00 O ATOM 1489 CG2 THR A 93 5.345 1.370 -9.725 1.00 0.00 C ATOM 0 H THR A 93 9.410 -0.151 -8.919 1.00 0.00 H new ATOM 0 HA THR A 93 7.918 1.955 -10.181 1.00 0.00 H new ATOM 0 HB THR A 93 6.360 -0.331 -8.922 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.127 0.167 -11.605 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.412 0.834 -9.895 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.302 1.876 -8.761 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.490 2.107 -10.515 1.00 0.00 H new ATOM 1497 N GLY A 94 8.292 2.879 -7.884 1.00 0.00 N ATOM 1498 CA GLY A 94 8.364 3.467 -6.557 1.00 0.00 C ATOM 1499 C GLY A 94 7.018 3.491 -5.854 1.00 0.00 C ATOM 1500 O GLY A 94 6.932 3.233 -4.653 1.00 0.00 O ATOM 0 H GLY A 94 8.584 3.496 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.075 2.904 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.747 4.485 -6.635 1.00 0.00 H new ATOM 1504 N MET A 95 5.968 3.806 -6.606 1.00 0.00 N ATOM 1505 CA MET A 95 4.614 3.862 -6.063 1.00 0.00 C ATOM 1506 C MET A 95 3.588 3.761 -7.184 1.00 0.00 C ATOM 1507 O MET A 95 3.744 4.386 -8.234 1.00 0.00 O ATOM 1508 CB MET A 95 4.404 5.158 -5.280 1.00 0.00 C ATOM 1509 CG MET A 95 3.006 5.293 -4.697 1.00 0.00 C ATOM 1510 SD MET A 95 2.573 3.929 -3.603 1.00 0.00 S ATOM 1511 CE MET A 95 3.744 4.190 -2.278 1.00 0.00 C ATOM 0 H MET A 95 6.029 4.028 -7.600 1.00 0.00 H new ATOM 0 HA MET A 95 4.482 3.018 -5.386 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.133 5.207 -4.471 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.599 6.006 -5.937 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.936 6.231 -4.146 1.00 0.00 H new ATOM 0 HG3 MET A 95 2.282 5.345 -5.510 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.549 3.480 -1.475 1.00 0.00 H new ATOM 0 HE2 MET A 95 4.757 4.044 -2.653 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.642 5.206 -1.897 1.00 0.00 H new ATOM 1521 N ARG A 96 2.538 2.975 -6.964 1.00 0.00 N ATOM 1522 CA ARG A 96 1.501 2.798 -7.974 1.00 0.00 C ATOM 1523 C ARG A 96 0.169 2.425 -7.338 1.00 0.00 C ATOM 1524 O ARG A 96 -0.031 1.285 -6.937 1.00 0.00 O ATOM 1525 CB ARG A 96 1.925 1.714 -8.959 1.00 0.00 C ATOM 1526 CG ARG A 96 1.439 1.943 -10.380 1.00 0.00 C ATOM 1527 CD ARG A 96 -0.028 1.575 -10.533 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.518 1.825 -11.886 1.00 0.00 N ATOM 1529 CZ ARG A 96 -1.616 2.525 -12.159 1.00 0.00 C ATOM 1530 NH1 ARG A 96 -2.328 3.059 -11.176 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -2.001 2.693 -13.416 1.00 0.00 N ATOM 0 H ARG A 96 2.384 2.454 -6.101 1.00 0.00 H new ATOM 0 HA ARG A 96 1.372 3.744 -8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.013 1.649 -8.965 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.550 0.753 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.583 2.989 -10.651 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.038 1.350 -11.071 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.165 0.522 -10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.622 2.148 -9.821 1.00 0.00 H new ATOM 0 HE ARG A 96 0.013 1.440 -12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.034 2.934 -10.207 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -3.169 3.595 -11.389 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.455 2.285 -14.175 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.843 3.230 -13.624 1.00 0.00 H new ATOM 1545 N ILE A 97 -0.751 3.380 -7.273 1.00 0.00 N ATOM 1546 CA ILE A 97 -2.058 3.141 -6.688 1.00 0.00 C ATOM 1547 C ILE A 97 -2.828 2.077 -7.463 1.00 0.00 C ATOM 1548 O ILE A 97 -2.524 1.790 -8.620 1.00 0.00 O ATOM 1549 CB ILE A 97 -2.866 4.451 -6.640 1.00 0.00 C ATOM 1550 CG1 ILE A 97 -3.950 4.389 -5.559 1.00 0.00 C ATOM 1551 CG2 ILE A 97 -3.459 4.766 -8.003 1.00 0.00 C ATOM 1552 CD1 ILE A 97 -5.315 3.950 -6.043 1.00 0.00 C ATOM 0 H ILE A 97 -0.612 4.329 -7.620 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.909 2.774 -5.672 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.187 5.262 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.622 3.705 -4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.043 5.375 -5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.026 5.695 -7.947 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.657 4.874 -8.733 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.121 3.955 -8.308 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.012 3.938 -5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.673 4.645 -6.802 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.245 2.950 -6.471 1.00 0.00 H new ATOM 1564 N LEU A 98 -3.822 1.495 -6.810 1.00 0.00 N ATOM 1565 CA LEU A 98 -4.646 0.473 -7.419 1.00 0.00 C ATOM 1566 C LEU A 98 -6.121 0.711 -7.135 1.00 0.00 C ATOM 1567 O LEU A 98 -6.646 0.255 -6.120 1.00 0.00 O ATOM 1568 CB LEU A 98 -4.260 -0.920 -6.922 1.00 0.00 C ATOM 1569 CG LEU A 98 -4.647 -2.028 -7.890 1.00 0.00 C ATOM 1570 CD1 LEU A 98 -3.828 -1.882 -9.154 1.00 0.00 C ATOM 1571 CD2 LEU A 98 -4.474 -3.410 -7.274 1.00 0.00 C ATOM 0 H LEU A 98 -4.076 1.719 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.475 0.529 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.184 -0.953 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.740 -1.102 -5.960 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.706 -1.932 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.097 -2.672 -9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.028 -0.911 -9.607 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.768 -1.958 -8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.762 -4.171 -8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.431 -3.554 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.105 -3.496 -6.389 1.00 0.00 H new ATOM 1583 N ASP A 99 -6.782 1.436 -8.027 1.00 0.00 N ATOM 1584 CA ASP A 99 -8.206 1.698 -7.879 1.00 0.00 C ATOM 1585 C ASP A 99 -8.973 0.392 -7.975 1.00 0.00 C ATOM 1586 O ASP A 99 -9.404 -0.001 -9.057 1.00 0.00 O ATOM 1587 CB ASP A 99 -8.703 2.656 -8.961 1.00 0.00 C ATOM 1588 CG ASP A 99 -9.965 3.390 -8.549 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -10.180 3.566 -7.331 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -10.741 3.787 -9.445 1.00 0.00 O ATOM 0 H ASP A 99 -6.357 1.851 -8.856 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.371 2.159 -6.905 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.921 3.381 -9.187 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.894 2.097 -9.877 1.00 0.00 H new ATOM 1595 N LEU A 100 -9.118 -0.288 -6.848 1.00 0.00 N ATOM 1596 CA LEU A 100 -9.832 -1.553 -6.818 1.00 0.00 C ATOM 1597 C LEU A 100 -11.239 -1.389 -7.370 1.00 0.00 C ATOM 1598 O LEU A 100 -11.866 -2.357 -7.799 1.00 0.00 O ATOM 1599 CB LEU A 100 -9.880 -2.116 -5.393 1.00 0.00 C ATOM 1600 CG LEU A 100 -8.516 -2.347 -4.731 1.00 0.00 C ATOM 1601 CD1 LEU A 100 -8.625 -3.401 -3.634 1.00 0.00 C ATOM 1602 CD2 LEU A 100 -7.481 -2.759 -5.769 1.00 0.00 C ATOM 0 H LEU A 100 -8.752 0.014 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.294 -2.260 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.456 -1.432 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.420 -3.062 -5.412 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.192 -1.411 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.648 -3.552 -3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.333 -3.066 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.972 -4.340 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.520 -2.918 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.799 -3.682 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.382 -1.972 -6.517 1.00 0.00 H new ATOM 1614 N ARG A 101 -11.730 -0.153 -7.352 1.00 0.00 N ATOM 1615 CA ARG A 101 -13.053 0.147 -7.878 1.00 0.00 C ATOM 1616 C ARG A 101 -13.135 -0.291 -9.335 1.00 0.00 C ATOM 1617 O ARG A 101 -14.218 -0.402 -9.909 1.00 0.00 O ATOM 1618 CB ARG A 101 -13.330 1.646 -7.762 1.00 0.00 C ATOM 1619 CG ARG A 101 -13.357 2.148 -6.328 1.00 0.00 C ATOM 1620 CD ARG A 101 -14.701 1.886 -5.667 1.00 0.00 C ATOM 1621 NE ARG A 101 -15.787 2.594 -6.339 1.00 0.00 N ATOM 1622 CZ ARG A 101 -16.847 3.091 -5.708 1.00 0.00 C ATOM 1623 NH1 ARG A 101 -16.964 2.958 -4.393 1.00 0.00 N ATOM 1624 NH2 ARG A 101 -17.792 3.722 -6.391 1.00 0.00 N ATOM 0 H ARG A 101 -11.230 0.654 -6.979 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.803 -0.394 -7.301 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.566 2.192 -8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -14.287 1.868 -8.235 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.568 1.659 -5.756 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.146 3.217 -6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.906 0.816 -5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -14.658 2.195 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.729 2.714 -7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.240 2.473 -3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -17.778 3.340 -3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.707 3.827 -7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -18.604 4.103 -5.905 1.00 0.00 H new ATOM 1638 N LEU A 102 -11.966 -0.535 -9.921 1.00 0.00 N ATOM 1639 CA LEU A 102 -11.865 -0.965 -11.304 1.00 0.00 C ATOM 1640 C LEU A 102 -11.789 -2.486 -11.402 1.00 0.00 C ATOM 1641 O LEU A 102 -12.472 -3.097 -12.224 1.00 0.00 O ATOM 1642 CB LEU A 102 -10.624 -0.348 -11.945 1.00 0.00 C ATOM 1643 CG LEU A 102 -10.484 1.166 -11.768 1.00 0.00 C ATOM 1644 CD1 LEU A 102 -9.131 1.632 -12.273 1.00 0.00 C ATOM 1645 CD2 LEU A 102 -11.607 1.896 -12.490 1.00 0.00 C ATOM 0 H LEU A 102 -11.067 -0.439 -9.448 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.758 -0.631 -11.832 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.741 -0.830 -11.526 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.635 -0.574 -13.011 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.556 1.399 -10.706 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.045 2.711 -12.141 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.341 1.134 -11.711 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.033 1.387 -13.331 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.490 2.971 -12.352 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.569 1.660 -13.554 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.567 1.581 -12.082 1.00 0.00 H new ATOM 1657 N PHE A 103 -10.955 -3.096 -10.559 1.00 0.00 N ATOM 1658 CA PHE A 103 -10.789 -4.548 -10.573 1.00 0.00 C ATOM 1659 C PHE A 103 -11.576 -5.209 -9.446 1.00 0.00 C ATOM 1660 O PHE A 103 -12.617 -4.709 -9.021 1.00 0.00 O ATOM 1661 CB PHE A 103 -9.306 -4.914 -10.455 1.00 0.00 C ATOM 1662 CG PHE A 103 -8.385 -3.787 -10.788 1.00 0.00 C ATOM 1663 CD1 PHE A 103 -7.970 -2.920 -9.799 1.00 0.00 C ATOM 1664 CD2 PHE A 103 -7.936 -3.590 -12.084 1.00 0.00 C ATOM 1665 CE1 PHE A 103 -7.122 -1.878 -10.086 1.00 0.00 C ATOM 1666 CE2 PHE A 103 -7.084 -2.545 -12.381 1.00 0.00 C ATOM 1667 CZ PHE A 103 -6.675 -1.687 -11.378 1.00 0.00 C ATOM 0 H PHE A 103 -10.388 -2.611 -9.863 1.00 0.00 H new ATOM 0 HA PHE A 103 -11.178 -4.917 -11.522 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -9.103 -5.250 -9.438 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -9.094 -5.754 -11.117 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.316 -3.062 -8.786 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -8.255 -4.260 -12.869 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.805 -1.208 -9.301 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.738 -2.399 -13.394 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.007 -0.869 -11.604 1.00 0.00 H new ATOM 1677 N GLU A 104 -11.061 -6.337 -8.973 1.00 0.00 N ATOM 1678 CA GLU A 104 -11.692 -7.090 -7.903 1.00 0.00 C ATOM 1679 C GLU A 104 -10.630 -7.761 -7.051 1.00 0.00 C ATOM 1680 O GLU A 104 -9.481 -7.330 -7.028 1.00 0.00 O ATOM 1681 CB GLU A 104 -12.648 -8.135 -8.479 1.00 0.00 C ATOM 1682 CG GLU A 104 -11.996 -9.057 -9.494 1.00 0.00 C ATOM 1683 CD GLU A 104 -12.942 -10.126 -10.003 1.00 0.00 C ATOM 1684 OE1 GLU A 104 -13.667 -9.859 -10.985 1.00 0.00 O ATOM 1685 OE2 GLU A 104 -12.959 -11.230 -9.419 1.00 0.00 O ATOM 0 H GLU A 104 -10.197 -6.752 -9.321 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.266 -6.405 -7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.053 -8.734 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.489 -7.626 -8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.634 -8.467 -10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.126 -9.533 -9.041 1.00 0.00 H new ATOM 1692 N THR A 105 -11.016 -8.805 -6.341 1.00 0.00 N ATOM 1693 CA THR A 105 -10.074 -9.527 -5.500 1.00 0.00 C ATOM 1694 C THR A 105 -8.939 -10.124 -6.331 1.00 0.00 C ATOM 1695 O THR A 105 -7.769 -9.807 -6.121 1.00 0.00 O ATOM 1696 CB THR A 105 -10.765 -10.659 -4.719 1.00 0.00 C ATOM 1697 OG1 THR A 105 -11.642 -10.111 -3.728 1.00 0.00 O ATOM 1698 CG2 THR A 105 -9.738 -11.561 -4.058 1.00 0.00 C ATOM 0 H THR A 105 -11.968 -9.171 -6.328 1.00 0.00 H new ATOM 0 HA THR A 105 -9.667 -8.803 -4.794 1.00 0.00 H new ATOM 0 HB THR A 105 -11.347 -11.254 -5.423 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.261 -9.279 -3.378 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.248 -12.354 -3.511 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.096 -12.001 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 105 -9.131 -10.976 -3.366 1.00 0.00 H new ATOM 1706 N ASP A 106 -9.292 -10.979 -7.284 1.00 0.00 N ATOM 1707 CA ASP A 106 -8.299 -11.623 -8.135 1.00 0.00 C ATOM 1708 C ASP A 106 -7.798 -10.667 -9.207 1.00 0.00 C ATOM 1709 O ASP A 106 -6.676 -10.798 -9.696 1.00 0.00 O ATOM 1710 CB ASP A 106 -8.884 -12.878 -8.784 1.00 0.00 C ATOM 1711 CG ASP A 106 -7.879 -13.596 -9.661 1.00 0.00 C ATOM 1712 OD1 ASP A 106 -7.789 -13.258 -10.860 1.00 0.00 O ATOM 1713 OD2 ASP A 106 -7.180 -14.496 -9.150 1.00 0.00 O ATOM 0 H ASP A 106 -10.257 -11.242 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.455 -11.910 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.234 -13.557 -8.006 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.753 -12.603 -9.382 1.00 0.00 H new ATOM 1718 N GLY A 107 -8.633 -9.701 -9.562 1.00 0.00 N ATOM 1719 CA GLY A 107 -8.256 -8.732 -10.575 1.00 0.00 C ATOM 1720 C GLY A 107 -7.193 -7.774 -10.080 1.00 0.00 C ATOM 1721 O GLY A 107 -6.188 -7.540 -10.754 1.00 0.00 O ATOM 0 H GLY A 107 -9.565 -9.570 -9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.889 -9.255 -11.458 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.137 -8.168 -10.882 1.00 0.00 H new ATOM 1725 N ALA A 108 -7.417 -7.225 -8.893 1.00 0.00 N ATOM 1726 CA ALA A 108 -6.481 -6.289 -8.287 1.00 0.00 C ATOM 1727 C ALA A 108 -5.170 -6.976 -7.936 1.00 0.00 C ATOM 1728 O ALA A 108 -4.098 -6.476 -8.255 1.00 0.00 O ATOM 1729 CB ALA A 108 -7.099 -5.667 -7.049 1.00 0.00 C ATOM 0 H ALA A 108 -8.245 -7.414 -8.328 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.265 -5.503 -9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.392 -4.968 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.010 -5.136 -7.325 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.340 -6.450 -6.330 1.00 0.00 H new ATOM 1735 N LEU A 109 -5.257 -8.117 -7.266 1.00 0.00 N ATOM 1736 CA LEU A 109 -4.068 -8.863 -6.894 1.00 0.00 C ATOM 1737 C LEU A 109 -3.210 -9.103 -8.128 1.00 0.00 C ATOM 1738 O LEU A 109 -1.993 -8.898 -8.112 1.00 0.00 O ATOM 1739 CB LEU A 109 -4.479 -10.188 -6.265 1.00 0.00 C ATOM 1740 CG LEU A 109 -3.601 -10.682 -5.110 1.00 0.00 C ATOM 1741 CD1 LEU A 109 -3.328 -9.563 -4.115 1.00 0.00 C ATOM 1742 CD2 LEU A 109 -4.270 -11.851 -4.408 1.00 0.00 C ATOM 0 H LEU A 109 -6.136 -8.543 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.486 -8.294 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.503 -10.094 -5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.485 -10.951 -7.043 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.648 -11.011 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.703 -9.940 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.814 -8.745 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.272 -9.201 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.638 -12.194 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.235 -11.534 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.418 -12.665 -5.118 1.00 0.00 H new ATOM 1754 N GLU A 110 -3.866 -9.534 -9.200 1.00 0.00 N ATOM 1755 CA GLU A 110 -3.189 -9.786 -10.464 1.00 0.00 C ATOM 1756 C GLU A 110 -2.481 -8.527 -10.951 1.00 0.00 C ATOM 1757 O GLU A 110 -1.422 -8.605 -11.567 1.00 0.00 O ATOM 1758 CB GLU A 110 -4.178 -10.276 -11.517 1.00 0.00 C ATOM 1759 CG GLU A 110 -4.459 -11.769 -11.439 1.00 0.00 C ATOM 1760 CD GLU A 110 -3.220 -12.609 -11.683 1.00 0.00 C ATOM 1761 OE1 GLU A 110 -2.945 -12.933 -12.857 1.00 0.00 O ATOM 1762 OE2 GLU A 110 -2.527 -12.944 -10.700 1.00 0.00 O ATOM 0 H GLU A 110 -4.869 -9.716 -9.217 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.444 -10.565 -10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.116 -9.732 -11.404 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.789 -10.039 -12.507 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.867 -12.007 -10.457 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.221 -12.030 -12.173 1.00 0.00 H new ATOM 1769 N GLU A 111 -3.080 -7.367 -10.681 1.00 0.00 N ATOM 1770 CA GLU A 111 -2.485 -6.092 -11.072 1.00 0.00 C ATOM 1771 C GLU A 111 -1.088 -5.974 -10.483 1.00 0.00 C ATOM 1772 O GLU A 111 -0.105 -5.797 -11.201 1.00 0.00 O ATOM 1773 CB GLU A 111 -3.339 -4.923 -10.588 1.00 0.00 C ATOM 1774 CG GLU A 111 -4.584 -4.688 -11.417 1.00 0.00 C ATOM 1775 CD GLU A 111 -4.268 -4.218 -12.822 1.00 0.00 C ATOM 1776 OE1 GLU A 111 -4.095 -2.997 -13.014 1.00 0.00 O ATOM 1777 OE2 GLU A 111 -4.190 -5.072 -13.731 1.00 0.00 O ATOM 0 H GLU A 111 -3.973 -7.285 -10.195 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.431 -6.059 -12.160 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.632 -5.104 -9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.734 -4.017 -10.594 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.162 -5.611 -11.468 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.211 -3.946 -10.922 1.00 0.00 H new ATOM 1784 N ILE A 112 -1.013 -6.075 -9.166 1.00 0.00 N ATOM 1785 CA ILE A 112 0.262 -5.998 -8.472 1.00 0.00 C ATOM 1786 C ILE A 112 1.303 -6.871 -9.165 1.00 0.00 C ATOM 1787 O ILE A 112 2.393 -6.414 -9.480 1.00 0.00 O ATOM 1788 CB ILE A 112 0.130 -6.448 -7.003 1.00 0.00 C ATOM 1789 CG1 ILE A 112 -0.795 -5.504 -6.243 1.00 0.00 C ATOM 1790 CG2 ILE A 112 1.496 -6.519 -6.331 1.00 0.00 C ATOM 1791 CD1 ILE A 112 -2.169 -6.079 -6.001 1.00 0.00 C ATOM 0 H ILE A 112 -1.819 -6.210 -8.556 1.00 0.00 H new ATOM 0 HA ILE A 112 0.580 -4.956 -8.496 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.304 -7.448 -6.988 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.340 -5.254 -5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.892 -4.573 -6.802 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.376 -6.839 -5.296 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.125 -7.234 -6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 112 1.965 -5.535 -6.355 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.775 -5.356 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.643 -6.303 -6.957 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.082 -6.994 -5.415 1.00 0.00 H new ATOM 1803 N LEU A 113 0.939 -8.116 -9.428 1.00 0.00 N ATOM 1804 CA LEU A 113 1.836 -9.067 -10.067 1.00 0.00 C ATOM 1805 C LEU A 113 2.237 -8.650 -11.485 1.00 0.00 C ATOM 1806 O LEU A 113 3.412 -8.710 -11.849 1.00 0.00 O ATOM 1807 CB LEU A 113 1.153 -10.430 -10.110 1.00 0.00 C ATOM 1808 CG LEU A 113 1.006 -11.174 -8.775 1.00 0.00 C ATOM 1809 CD1 LEU A 113 1.508 -10.345 -7.598 1.00 0.00 C ATOM 1810 CD2 LEU A 113 -0.442 -11.563 -8.580 1.00 0.00 C ATOM 0 H LEU A 113 0.018 -8.495 -9.206 1.00 0.00 H new ATOM 0 HA LEU A 113 2.753 -9.104 -9.479 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.159 -10.298 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.712 -11.068 -10.795 1.00 0.00 H new ATOM 0 HG LEU A 113 1.625 -12.070 -8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.384 -10.911 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.563 -10.111 -7.741 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.936 -9.419 -7.535 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.552 -12.092 -7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.061 -10.666 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.758 -12.212 -9.397 1.00 0.00 H new ATOM 2019 N ARG A 127 4.397 -11.670 4.654 1.00 0.00 N ATOM 2020 CA ARG A 127 3.506 -10.849 5.467 1.00 0.00 C ATOM 2021 C ARG A 127 2.909 -9.702 4.661 1.00 0.00 C ATOM 2022 O ARG A 127 1.752 -9.335 4.860 1.00 0.00 O ATOM 2023 CB ARG A 127 4.247 -10.297 6.684 1.00 0.00 C ATOM 2024 CG ARG A 127 4.515 -11.336 7.759 1.00 0.00 C ATOM 2025 CD ARG A 127 4.936 -10.683 9.063 1.00 0.00 C ATOM 2026 NE ARG A 127 5.169 -11.667 10.117 1.00 0.00 N ATOM 2027 CZ ARG A 127 5.428 -11.347 11.380 1.00 0.00 C ATOM 2028 NH1 ARG A 127 5.492 -10.074 11.747 1.00 0.00 N ATOM 2029 NH2 ARG A 127 5.625 -12.302 12.279 1.00 0.00 N ATOM 0 HA ARG A 127 2.690 -11.488 5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.196 -9.871 6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 127 3.664 -9.483 7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 127 3.618 -11.934 7.922 1.00 0.00 H new ATOM 0 HG3 ARG A 127 5.296 -12.018 7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 127 5.845 -10.103 8.901 1.00 0.00 H new ATOM 0 HD3 ARG A 127 4.164 -9.984 9.384 1.00 0.00 H new ATOM 0 HE ARG A 127 5.131 -12.656 9.869 1.00 0.00 H new ATOM 0 HH11 ARG A 127 5.342 -9.337 11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 127 5.691 -9.833 12.718 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.578 -13.282 12.001 1.00 0.00 H new ATOM 0 HH22 ARG A 127 5.824 -12.056 13.249 1.00 0.00 H new ATOM 2043 N MET A 128 3.700 -9.132 3.756 1.00 0.00 N ATOM 2044 CA MET A 128 3.221 -8.031 2.929 1.00 0.00 C ATOM 2045 C MET A 128 2.048 -8.490 2.079 1.00 0.00 C ATOM 2046 O MET A 128 1.045 -7.789 1.951 1.00 0.00 O ATOM 2047 CB MET A 128 4.353 -7.485 2.041 1.00 0.00 C ATOM 2048 CG MET A 128 3.907 -7.043 0.650 1.00 0.00 C ATOM 2049 SD MET A 128 4.890 -7.782 -0.665 1.00 0.00 S ATOM 2050 CE MET A 128 3.641 -7.949 -1.934 1.00 0.00 C ATOM 0 H MET A 128 4.665 -9.411 3.578 1.00 0.00 H new ATOM 0 HA MET A 128 2.886 -7.225 3.582 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.818 -6.638 2.546 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.119 -8.254 1.936 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.860 -7.309 0.508 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.973 -5.957 0.580 1.00 0.00 H new ATOM 0 HE1 MET A 128 4.084 -8.394 -2.825 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.836 -8.588 -1.571 1.00 0.00 H new ATOM 0 HE3 MET A 128 3.240 -6.966 -2.181 1.00 0.00 H new ATOM 2060 N PHE A 129 2.187 -9.674 1.500 1.00 0.00 N ATOM 2061 CA PHE A 129 1.145 -10.234 0.653 1.00 0.00 C ATOM 2062 C PHE A 129 -0.085 -10.589 1.478 1.00 0.00 C ATOM 2063 O PHE A 129 -1.204 -10.579 0.970 1.00 0.00 O ATOM 2064 CB PHE A 129 1.669 -11.463 -0.093 1.00 0.00 C ATOM 2065 CG PHE A 129 0.653 -12.099 -0.999 1.00 0.00 C ATOM 2066 CD1 PHE A 129 0.109 -11.388 -2.058 1.00 0.00 C ATOM 2067 CD2 PHE A 129 0.246 -13.407 -0.796 1.00 0.00 C ATOM 2068 CE1 PHE A 129 -0.823 -11.970 -2.896 1.00 0.00 C ATOM 2069 CE2 PHE A 129 -0.687 -13.995 -1.630 1.00 0.00 C ATOM 2070 CZ PHE A 129 -1.222 -13.275 -2.681 1.00 0.00 C ATOM 0 H PHE A 129 3.012 -10.265 1.602 1.00 0.00 H new ATOM 0 HA PHE A 129 0.855 -9.482 -0.081 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.539 -11.175 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.007 -12.201 0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.417 -10.367 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 129 0.662 -13.974 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -1.239 -11.406 -3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -0.997 -15.015 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 129 -1.951 -13.732 -3.334 1.00 0.00 H new ATOM 2080 N ARG A 130 0.127 -10.915 2.751 1.00 0.00 N ATOM 2081 CA ARG A 130 -0.978 -11.243 3.639 1.00 0.00 C ATOM 2082 C ARG A 130 -1.937 -10.065 3.720 1.00 0.00 C ATOM 2083 O ARG A 130 -3.152 -10.228 3.619 1.00 0.00 O ATOM 2084 CB ARG A 130 -0.447 -11.584 5.028 1.00 0.00 C ATOM 2085 CG ARG A 130 0.455 -12.804 5.042 1.00 0.00 C ATOM 2086 CD ARG A 130 -0.355 -14.089 5.068 1.00 0.00 C ATOM 2087 NE ARG A 130 0.480 -15.261 5.305 1.00 0.00 N ATOM 2088 CZ ARG A 130 0.050 -16.357 5.922 1.00 0.00 C ATOM 2089 NH1 ARG A 130 -1.198 -16.425 6.367 1.00 0.00 N ATOM 2090 NH2 ARG A 130 0.869 -17.385 6.098 1.00 0.00 N ATOM 0 H ARG A 130 1.049 -10.958 3.186 1.00 0.00 H new ATOM 0 HA ARG A 130 -1.510 -12.109 3.245 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.104 -10.729 5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -1.288 -11.755 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.097 -12.794 4.161 1.00 0.00 H new ATOM 0 HG3 ARG A 130 1.108 -12.766 5.914 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -1.114 -14.022 5.847 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.880 -14.205 4.120 1.00 0.00 H new ATOM 0 HE ARG A 130 1.446 -15.238 4.980 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -1.830 -15.635 6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -1.526 -17.267 6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 130 1.830 -17.335 5.760 1.00 0.00 H new ATOM 0 HH22 ARG A 130 0.538 -18.226 6.572 1.00 0.00 H new ATOM 2104 N LEU A 131 -1.371 -8.876 3.899 1.00 0.00 N ATOM 2105 CA LEU A 131 -2.143 -7.652 3.978 1.00 0.00 C ATOM 2106 C LEU A 131 -2.677 -7.284 2.604 1.00 0.00 C ATOM 2107 O LEU A 131 -3.861 -6.992 2.436 1.00 0.00 O ATOM 2108 CB LEU A 131 -1.253 -6.525 4.495 1.00 0.00 C ATOM 2109 CG LEU A 131 -0.264 -6.931 5.576 1.00 0.00 C ATOM 2110 CD1 LEU A 131 0.907 -5.972 5.604 1.00 0.00 C ATOM 2111 CD2 LEU A 131 -0.945 -6.976 6.930 1.00 0.00 C ATOM 0 H LEU A 131 -0.365 -8.739 3.993 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.981 -7.801 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.699 -6.106 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.889 -5.730 4.885 1.00 0.00 H new ATOM 0 HG LEU A 131 0.110 -7.929 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.607 -6.275 6.383 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.411 -5.985 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.547 -4.964 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.222 -7.268 7.691 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.345 -5.991 7.169 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.758 -7.701 6.904 1.00 0.00 H new ATOM 2123 N LEU A 132 -1.774 -7.299 1.630 1.00 0.00 N ATOM 2124 CA LEU A 132 -2.104 -6.974 0.249 1.00 0.00 C ATOM 2125 C LEU A 132 -3.355 -7.716 -0.220 1.00 0.00 C ATOM 2126 O LEU A 132 -4.311 -7.102 -0.693 1.00 0.00 O ATOM 2127 CB LEU A 132 -0.920 -7.325 -0.646 1.00 0.00 C ATOM 2128 CG LEU A 132 -0.969 -6.731 -2.050 1.00 0.00 C ATOM 2129 CD1 LEU A 132 -0.108 -5.483 -2.122 1.00 0.00 C ATOM 2130 CD2 LEU A 132 -0.520 -7.760 -3.075 1.00 0.00 C ATOM 0 H LEU A 132 -0.793 -7.537 1.776 1.00 0.00 H new ATOM 0 HA LEU A 132 -2.314 -5.906 0.187 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.005 -6.990 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.857 -8.410 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 132 -1.997 -6.450 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -0.151 -5.069 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -0.477 -4.745 -1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.923 -5.738 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.560 -7.322 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.502 -8.070 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -1.179 -8.627 -3.033 1.00 0.00 H new ATOM 2142 N SER A 133 -3.341 -9.038 -0.086 1.00 0.00 N ATOM 2143 CA SER A 133 -4.470 -9.864 -0.502 1.00 0.00 C ATOM 2144 C SER A 133 -5.639 -9.731 0.463 1.00 0.00 C ATOM 2145 O SER A 133 -6.773 -10.034 0.107 1.00 0.00 O ATOM 2146 CB SER A 133 -4.043 -11.324 -0.623 1.00 0.00 C ATOM 2147 OG SER A 133 -3.584 -11.831 0.617 1.00 0.00 O ATOM 0 H SER A 133 -2.559 -9.562 0.308 1.00 0.00 H new ATOM 0 HA SER A 133 -4.802 -9.511 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.883 -11.923 -0.974 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.254 -11.413 -1.369 1.00 0.00 H new ATOM 0 HG SER A 133 -2.747 -11.385 0.863 1.00 0.00 H new ATOM 2153 N ALA A 134 -5.363 -9.287 1.684 1.00 0.00 N ATOM 2154 CA ALA A 134 -6.415 -9.106 2.678 1.00 0.00 C ATOM 2155 C ALA A 134 -7.234 -7.863 2.366 1.00 0.00 C ATOM 2156 O ALA A 134 -8.416 -7.784 2.694 1.00 0.00 O ATOM 2157 CB ALA A 134 -5.824 -9.019 4.071 1.00 0.00 C ATOM 0 H ALA A 134 -4.426 -9.047 2.008 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.076 -9.972 2.641 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -6.625 -8.884 4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.282 -9.938 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.140 -8.172 4.124 1.00 0.00 H new ATOM 2163 N PHE A 135 -6.592 -6.881 1.749 1.00 0.00 N ATOM 2164 CA PHE A 135 -7.273 -5.655 1.369 1.00 0.00 C ATOM 2165 C PHE A 135 -7.956 -5.869 0.031 1.00 0.00 C ATOM 2166 O PHE A 135 -9.009 -5.304 -0.253 1.00 0.00 O ATOM 2167 CB PHE A 135 -6.281 -4.498 1.274 1.00 0.00 C ATOM 2168 CG PHE A 135 -6.929 -3.167 1.073 1.00 0.00 C ATOM 2169 CD1 PHE A 135 -7.442 -2.459 2.147 1.00 0.00 C ATOM 2170 CD2 PHE A 135 -7.003 -2.613 -0.191 1.00 0.00 C ATOM 2171 CE1 PHE A 135 -8.021 -1.219 1.961 1.00 0.00 C ATOM 2172 CE2 PHE A 135 -7.572 -1.376 -0.387 1.00 0.00 C ATOM 2173 CZ PHE A 135 -8.084 -0.676 0.690 1.00 0.00 C ATOM 0 H PHE A 135 -5.603 -6.911 1.502 1.00 0.00 H new ATOM 0 HA PHE A 135 -8.015 -5.403 2.127 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -5.683 -4.468 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -5.594 -4.686 0.449 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -7.389 -2.881 3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -6.609 -3.158 -1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -8.423 -0.676 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -7.619 -0.953 -1.379 1.00 0.00 H new ATOM 0 HZ PHE A 135 -8.533 0.295 0.539 1.00 0.00 H new ATOM 2183 N ILE A 136 -7.333 -6.700 -0.784 1.00 0.00 N ATOM 2184 CA ILE A 136 -7.852 -7.039 -2.088 1.00 0.00 C ATOM 2185 C ILE A 136 -9.079 -7.931 -1.917 1.00 0.00 C ATOM 2186 O ILE A 136 -10.031 -7.877 -2.695 1.00 0.00 O ATOM 2187 CB ILE A 136 -6.760 -7.789 -2.890 1.00 0.00 C ATOM 2188 CG1 ILE A 136 -6.298 -6.974 -4.092 1.00 0.00 C ATOM 2189 CG2 ILE A 136 -7.225 -9.170 -3.317 1.00 0.00 C ATOM 2190 CD1 ILE A 136 -4.931 -6.360 -3.891 1.00 0.00 C ATOM 0 H ILE A 136 -6.451 -7.158 -0.556 1.00 0.00 H new ATOM 0 HA ILE A 136 -8.135 -6.135 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 136 -5.907 -7.921 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -6.278 -7.614 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -7.022 -6.183 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -6.431 -9.664 -3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -7.468 -9.761 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -8.110 -9.077 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -4.653 -5.791 -4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -4.954 -5.696 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -4.199 -7.150 -3.722 1.00 0.00 H new ATOM 2202 N ALA A 137 -9.023 -8.747 -0.869 1.00 0.00 N ATOM 2203 CA ALA A 137 -10.079 -9.692 -0.545 1.00 0.00 C ATOM 2204 C ALA A 137 -11.167 -9.083 0.335 1.00 0.00 C ATOM 2205 O ALA A 137 -12.342 -9.057 -0.033 1.00 0.00 O ATOM 2206 CB ALA A 137 -9.464 -10.892 0.158 1.00 0.00 C ATOM 0 H ALA A 137 -8.238 -8.769 -0.219 1.00 0.00 H new ATOM 0 HA ALA A 137 -10.557 -9.989 -1.478 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -10.247 -11.609 0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -8.735 -11.365 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -8.969 -10.564 1.072 1.00 0.00 H new ATOM 2212 N ASP A 138 -10.759 -8.594 1.500 1.00 0.00 N ATOM 2213 CA ASP A 138 -11.686 -8.024 2.473 1.00 0.00 C ATOM 2214 C ASP A 138 -11.799 -6.508 2.367 1.00 0.00 C ATOM 2215 O ASP A 138 -12.826 -5.933 2.727 1.00 0.00 O ATOM 2216 CB ASP A 138 -11.239 -8.415 3.880 1.00 0.00 C ATOM 2217 CG ASP A 138 -11.879 -7.563 4.958 1.00 0.00 C ATOM 2218 OD1 ASP A 138 -13.015 -7.878 5.370 1.00 0.00 O ATOM 2219 OD2 ASP A 138 -11.244 -6.578 5.392 1.00 0.00 O ATOM 0 H ASP A 138 -9.783 -8.581 1.797 1.00 0.00 H new ATOM 0 HA ASP A 138 -12.675 -8.428 2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -11.486 -9.462 4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -10.155 -8.327 3.949 1.00 0.00 H new