USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1101 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: C 61 TYR OH : rot -30:sc= -1.71! USER MOD Set 1.2: C 76 ASN : amide:sc= 0.461 K(o=-0.21,f=-6.6) USER MOD Set 1.3: C 80 LYS NZ :NH3+ 136:sc= 1.03 (180deg=-0.231) USER MOD Single : A 0 SER OG : rot 180:sc= -0.131 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.104 (180deg=-0.573) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= 0.955 K(o=0.96,f=-3.5!) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 80:sc= -0.689 USER MOD Single : A 14 HIS : no HE2:sc= -4.06! C(o=-4.1!,f=-8.5!) USER MOD Single : A 15 CYS SG : rot -46:sc= -2.31! USER MOD Single : A 17 SER OG : rot -44:sc= 0.0503 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : C 2 MET CE :methyl -147:sc= 0 (180deg=-0.663) USER MOD Single : C 4 HIS : no HD1:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : C 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 6 HIS : no HD1:sc= 0.148 K(o=0.15,f=-0.98) USER MOD Single : C 7 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD Single : C 8 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.04) USER MOD Single : C 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 15 LYS NZ :NH3+ 140:sc= 1.15 (180deg=0.849) USER MOD Single : C 16 MET CE :methyl -159:sc= -0.119 (180deg=-0.682) USER MOD Single : C 22 LYS NZ :NH3+ 131:sc= 1.26 (180deg=0.943) USER MOD Single : C 23 THR OG1 : rot -170:sc= -0.902 USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 27 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : C 28 THR OG1 : rot 1:sc= -2.05! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : C 36 GLN :FLIP amide:sc= -0.0462 F(o=-0.7,f=-0.046) USER MOD Single : C 37 MET CE :methyl -164:sc= 0 (180deg=-0.513) USER MOD Single : C 38 ASN :FLIP amide:sc= -2.35! C(o=-3.6!,f=-2.3!) USER MOD Single : C 40 LYS NZ :NH3+ 180:sc=-0.000311 (180deg=-0.000311) USER MOD Single : C 43 LYS NZ :NH3+ -152:sc= 2.52 (180deg=0.955) USER MOD Single : C 45 HIS : no HE2:sc= 0.956 K(o=0.96,f=-2.9!) USER MOD Single : C 49 SER OG : rot -169:sc= -0.845 USER MOD Single : C 51 SER OG : rot 180:sc= 0 USER MOD Single : C 54 SER OG : rot 160:sc= 0 USER MOD Single : C 56 LYS NZ :NH3+ 173:sc= 0.382 (180deg=0.368) USER MOD Single : C 57 GLN : amide:sc= -4.73! C(o=-4.7!,f=-8.2!) USER MOD Single : C 62 GLN : amide:sc= 0.00227 X(o=0.0023,f=0) USER MOD Single : C 67 GLN : amide:sc= 0.157 X(o=0.16,f=0) USER MOD Single : C 70 LYS NZ :NH3+ -165:sc= -0.0385 (180deg=-0.256) USER MOD Single : C 71 LYS NZ :NH3+ -160:sc= 1.25 (180deg=0.591) USER MOD Single : C 73 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : C 75 TYR OH : rot 116:sc= 0.924 USER MOD Single : C 83 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.65) USER MOD Single : C 91 GLN : amide:sc= -0.0263 X(o=-0.026,f=-0.29) USER MOD Single : C 92 THR OG1 : rot 180:sc= 0.599 USER MOD Single : C 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 96 SER OG : rot 180:sc= 0 USER MOD Single : C 99 SER OG : rot 180:sc=-0.00613 USER MOD Single : C 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -6.613 -0.523 25.397 1.00 0.00 N ATOM 2 CA GLY A -1 -6.707 -1.445 26.552 1.00 0.00 C ATOM 3 C GLY A -1 -7.291 -2.783 26.162 1.00 0.00 C ATOM 4 O GLY A -1 -8.400 -2.854 25.628 1.00 0.00 O ATOM 0 H1 GLY A -1 -6.207 0.383 25.708 1.00 0.00 H new ATOM 0 H2 GLY A -1 -6.003 -0.943 24.666 1.00 0.00 H new ATOM 0 H3 GLY A -1 -7.562 -0.361 25.004 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -5.715 -1.593 26.979 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -7.324 -0.992 27.328 1.00 0.00 H new ATOM 10 N SER A 0 -6.544 -3.847 26.415 1.00 0.00 N ATOM 11 CA SER A 0 -6.992 -5.188 26.095 1.00 0.00 C ATOM 12 C SER A 0 -6.135 -6.214 26.829 1.00 0.00 C ATOM 13 O SER A 0 -5.060 -6.596 26.360 1.00 0.00 O ATOM 14 CB SER A 0 -6.928 -5.422 24.582 1.00 0.00 C ATOM 15 OG SER A 0 -7.601 -6.613 24.218 1.00 0.00 O ATOM 0 H SER A 0 -5.620 -3.804 26.844 1.00 0.00 H new ATOM 0 HA SER A 0 -8.027 -5.301 26.418 1.00 0.00 H new ATOM 0 HB2 SER A 0 -7.375 -4.575 24.061 1.00 0.00 H new ATOM 0 HB3 SER A 0 -5.887 -5.478 24.264 1.00 0.00 H new ATOM 0 HG SER A 0 -7.546 -6.736 23.247 1.00 0.00 H new ATOM 21 N MET A 1 -6.608 -6.645 27.988 1.00 0.00 N ATOM 22 CA MET A 1 -5.885 -7.611 28.801 1.00 0.00 C ATOM 23 C MET A 1 -6.047 -9.012 28.228 1.00 0.00 C ATOM 24 O MET A 1 -5.066 -9.720 27.996 1.00 0.00 O ATOM 25 CB MET A 1 -6.377 -7.581 30.253 1.00 0.00 C ATOM 26 CG MET A 1 -6.136 -6.257 30.971 1.00 0.00 C ATOM 27 SD MET A 1 -7.180 -4.914 30.363 1.00 0.00 S ATOM 28 CE MET A 1 -8.803 -5.487 30.862 1.00 0.00 C ATOM 0 H MET A 1 -7.495 -6.339 28.389 1.00 0.00 H new ATOM 0 HA MET A 1 -4.829 -7.340 28.788 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.445 -7.799 30.267 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.882 -8.377 30.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.315 -6.392 32.038 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.089 -5.975 30.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.494 -4.645 30.887 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.162 -6.230 30.150 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.742 -5.935 31.854 1.00 0.00 H new ATOM 38 N ALA A 2 -7.290 -9.397 27.987 1.00 0.00 N ATOM 39 CA ALA A 2 -7.599 -10.703 27.432 1.00 0.00 C ATOM 40 C ALA A 2 -8.716 -10.580 26.410 1.00 0.00 C ATOM 41 O ALA A 2 -9.869 -10.331 26.763 1.00 0.00 O ATOM 42 CB ALA A 2 -7.990 -11.673 28.538 1.00 0.00 C ATOM 0 H ALA A 2 -8.108 -8.816 28.170 1.00 0.00 H new ATOM 0 HA ALA A 2 -6.711 -11.094 26.935 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.218 -12.647 28.104 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.164 -11.774 29.242 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.868 -11.294 29.061 1.00 0.00 H new ATOM 48 N GLU A 3 -8.374 -10.739 25.144 1.00 0.00 N ATOM 49 CA GLU A 3 -9.339 -10.555 24.075 1.00 0.00 C ATOM 50 C GLU A 3 -9.100 -11.556 22.955 1.00 0.00 C ATOM 51 O GLU A 3 -9.946 -12.413 22.690 1.00 0.00 O ATOM 52 CB GLU A 3 -9.240 -9.133 23.526 1.00 0.00 C ATOM 53 CG GLU A 3 -10.363 -8.756 22.574 1.00 0.00 C ATOM 54 CD GLU A 3 -11.718 -8.767 23.247 1.00 0.00 C ATOM 55 OE1 GLU A 3 -11.986 -7.862 24.066 1.00 0.00 O ATOM 56 OE2 GLU A 3 -12.520 -9.677 22.958 1.00 0.00 O ATOM 0 H GLU A 3 -7.437 -10.995 24.831 1.00 0.00 H new ATOM 0 HA GLU A 3 -10.338 -10.720 24.480 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.235 -8.432 24.361 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -8.287 -9.020 23.009 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.171 -7.764 22.165 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.372 -9.450 21.734 1.00 0.00 H new ATOM 63 N ALA A 4 -7.937 -11.443 22.314 1.00 0.00 N ATOM 64 CA ALA A 4 -7.597 -12.269 21.163 1.00 0.00 C ATOM 65 C ALA A 4 -8.667 -12.138 20.087 1.00 0.00 C ATOM 66 O ALA A 4 -9.340 -13.111 19.736 1.00 0.00 O ATOM 67 CB ALA A 4 -7.409 -13.725 21.569 1.00 0.00 C ATOM 0 H ALA A 4 -7.209 -10.779 22.579 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.650 -11.916 20.755 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.156 -14.318 20.690 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.604 -13.798 22.300 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -8.333 -14.103 22.008 1.00 0.00 H new ATOM 73 N SER A 5 -8.829 -10.923 19.588 1.00 0.00 N ATOM 74 CA SER A 5 -9.810 -10.636 18.559 1.00 0.00 C ATOM 75 C SER A 5 -9.189 -10.851 17.187 1.00 0.00 C ATOM 76 O SER A 5 -8.390 -10.038 16.724 1.00 0.00 O ATOM 77 CB SER A 5 -10.314 -9.194 18.694 1.00 0.00 C ATOM 78 OG SER A 5 -11.272 -8.883 17.694 1.00 0.00 O ATOM 0 H SER A 5 -8.286 -10.112 19.885 1.00 0.00 H new ATOM 0 HA SER A 5 -10.658 -11.310 18.676 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.757 -9.053 19.680 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.473 -8.505 18.621 1.00 0.00 H new ATOM 0 HG SER A 5 -11.575 -7.958 17.808 1.00 0.00 H new ATOM 84 N PRO A 6 -9.537 -11.955 16.522 1.00 0.00 N ATOM 85 CA PRO A 6 -8.993 -12.279 15.219 1.00 0.00 C ATOM 86 C PRO A 6 -9.800 -11.636 14.102 1.00 0.00 C ATOM 87 O PRO A 6 -10.802 -10.963 14.352 1.00 0.00 O ATOM 88 CB PRO A 6 -9.129 -13.797 15.175 1.00 0.00 C ATOM 89 CG PRO A 6 -10.361 -14.087 15.967 1.00 0.00 C ATOM 90 CD PRO A 6 -10.510 -12.968 16.972 1.00 0.00 C ATOM 0 HA PRO A 6 -7.973 -11.921 15.080 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.222 -14.157 14.150 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -8.256 -14.286 15.607 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.234 -14.141 15.317 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -10.279 -15.050 16.471 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.525 -12.571 16.980 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -10.293 -13.309 17.984 1.00 0.00 H new ATOM 98 N HIS A 7 -9.365 -11.836 12.878 1.00 0.00 N ATOM 99 CA HIS A 7 -10.130 -11.382 11.734 1.00 0.00 C ATOM 100 C HIS A 7 -10.082 -12.394 10.606 1.00 0.00 C ATOM 101 O HIS A 7 -9.158 -12.386 9.798 1.00 0.00 O ATOM 102 CB HIS A 7 -9.696 -9.999 11.230 1.00 0.00 C ATOM 103 CG HIS A 7 -8.228 -9.681 11.296 1.00 0.00 C ATOM 104 ND1 HIS A 7 -7.754 -8.391 11.444 1.00 0.00 N ATOM 105 CD2 HIS A 7 -7.131 -10.472 11.225 1.00 0.00 C ATOM 106 CE1 HIS A 7 -6.436 -8.409 11.460 1.00 0.00 C ATOM 107 NE2 HIS A 7 -6.034 -9.657 11.332 1.00 0.00 N ATOM 0 H HIS A 7 -8.490 -12.307 12.648 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.159 -11.285 12.080 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.019 -9.899 10.194 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.233 -9.245 11.805 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -8.333 -7.556 11.528 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.122 -11.545 11.106 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.794 -7.546 11.561 1.00 0.00 H new ATOM 116 N PRO A 8 -11.079 -13.294 10.553 1.00 0.00 N ATOM 117 CA PRO A 8 -11.249 -14.233 9.477 1.00 0.00 C ATOM 118 C PRO A 8 -11.282 -13.589 8.098 1.00 0.00 C ATOM 119 O PRO A 8 -10.995 -14.245 7.096 1.00 0.00 O ATOM 120 CB PRO A 8 -12.555 -14.919 9.768 1.00 0.00 C ATOM 121 CG PRO A 8 -13.229 -14.025 10.727 1.00 0.00 C ATOM 122 CD PRO A 8 -12.102 -13.502 11.550 1.00 0.00 C ATOM 0 HA PRO A 8 -10.400 -14.915 9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.147 -15.049 8.862 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -12.398 -15.911 10.191 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.766 -13.222 10.221 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -13.957 -14.561 11.335 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.366 -12.578 12.064 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.789 -14.214 12.314 1.00 0.00 H new ATOM 130 N GLY A 9 -11.652 -12.314 8.034 1.00 0.00 N ATOM 131 CA GLY A 9 -11.666 -11.646 6.755 1.00 0.00 C ATOM 132 C GLY A 9 -12.341 -10.314 6.760 1.00 0.00 C ATOM 133 O GLY A 9 -12.998 -9.929 5.793 1.00 0.00 O ATOM 0 H GLY A 9 -11.937 -11.744 8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.638 -11.517 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -12.164 -12.289 6.029 1.00 0.00 H new ATOM 137 N ARG A 10 -12.196 -9.638 7.845 1.00 0.00 N ATOM 138 CA ARG A 10 -12.703 -8.272 7.954 1.00 0.00 C ATOM 139 C ARG A 10 -11.842 -7.343 7.113 1.00 0.00 C ATOM 140 O ARG A 10 -10.752 -6.921 7.503 1.00 0.00 O ATOM 141 CB ARG A 10 -12.807 -7.768 9.407 1.00 0.00 C ATOM 142 CG ARG A 10 -11.485 -7.476 10.091 1.00 0.00 C ATOM 143 CD ARG A 10 -11.694 -6.838 11.451 1.00 0.00 C ATOM 144 NE ARG A 10 -12.383 -7.730 12.378 1.00 0.00 N ATOM 145 CZ ARG A 10 -12.813 -7.356 13.584 1.00 0.00 C ATOM 146 NH1 ARG A 10 -12.687 -6.094 13.977 1.00 0.00 N ATOM 147 NH2 ARG A 10 -13.381 -8.243 14.390 1.00 0.00 N ATOM 0 H ARG A 10 -11.733 -9.989 8.683 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.725 -8.276 7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.410 -6.860 9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.344 -8.513 9.994 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.920 -8.401 10.205 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.888 -6.813 9.464 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.728 -6.556 11.871 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.271 -5.921 11.335 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.545 -8.694 12.087 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.260 -5.407 13.356 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.017 -5.812 14.900 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.489 -9.211 14.088 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.710 -7.957 15.312 1.00 0.00 H new ATOM 161 N TYR A 11 -12.313 -7.076 5.921 1.00 0.00 N ATOM 162 CA TYR A 11 -11.635 -6.164 5.036 1.00 0.00 C ATOM 163 C TYR A 11 -12.509 -4.979 4.761 1.00 0.00 C ATOM 164 O TYR A 11 -13.713 -5.016 4.961 1.00 0.00 O ATOM 165 CB TYR A 11 -11.286 -6.817 3.703 1.00 0.00 C ATOM 166 CG TYR A 11 -10.146 -7.759 3.726 1.00 0.00 C ATOM 167 CD1 TYR A 11 -10.162 -8.879 4.531 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.056 -7.531 2.915 1.00 0.00 C ATOM 169 CE1 TYR A 11 -9.108 -9.754 4.536 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.991 -8.401 2.907 1.00 0.00 C ATOM 171 CZ TYR A 11 -8.018 -9.518 3.724 1.00 0.00 C ATOM 172 OH TYR A 11 -6.958 -10.396 3.726 1.00 0.00 O ATOM 0 H TYR A 11 -13.168 -7.480 5.540 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.712 -5.862 5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.165 -7.349 3.340 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.068 -6.030 2.981 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.016 -9.068 5.165 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.038 -6.659 2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.130 -10.626 5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.140 -8.214 2.268 1.00 0.00 H new ATOM 0 HH TYR A 11 -7.175 -11.172 3.169 1.00 0.00 H new ATOM 182 N PHE A 12 -11.902 -3.961 4.243 1.00 0.00 N ATOM 183 CA PHE A 12 -12.614 -2.753 3.932 1.00 0.00 C ATOM 184 C PHE A 12 -12.139 -2.214 2.609 1.00 0.00 C ATOM 185 O PHE A 12 -10.988 -1.808 2.467 1.00 0.00 O ATOM 186 CB PHE A 12 -12.461 -1.697 5.023 1.00 0.00 C ATOM 187 CG PHE A 12 -13.374 -0.523 4.829 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.736 -0.665 5.020 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.876 0.711 4.443 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.591 0.399 4.827 1.00 0.00 C ATOM 191 CE2 PHE A 12 -13.728 1.784 4.252 1.00 0.00 C ATOM 192 CZ PHE A 12 -15.089 1.628 4.443 1.00 0.00 C ATOM 0 H PHE A 12 -10.906 -3.937 4.023 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.675 -2.996 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.663 -2.152 5.993 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.428 -1.349 5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.135 -1.621 5.324 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.814 0.836 4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.653 0.272 4.976 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.331 2.743 3.954 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.757 2.463 4.293 1.00 0.00 H new ATOM 202 N CYS A 13 -13.012 -2.244 1.628 1.00 0.00 N ATOM 203 CA CYS A 13 -12.684 -1.683 0.350 1.00 0.00 C ATOM 204 C CYS A 13 -13.131 -0.233 0.310 1.00 0.00 C ATOM 205 O CYS A 13 -14.327 0.061 0.303 1.00 0.00 O ATOM 206 CB CYS A 13 -13.299 -2.499 -0.766 1.00 0.00 C ATOM 207 SG CYS A 13 -13.637 -1.569 -2.266 1.00 0.00 S ATOM 0 H CYS A 13 -13.946 -2.649 1.695 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.604 -1.712 0.202 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.629 -3.324 -1.008 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.230 -2.938 -0.408 1.00 0.00 H new ATOM 212 N HIS A 14 -12.161 0.666 0.299 1.00 0.00 N ATOM 213 CA HIS A 14 -12.428 2.075 0.481 1.00 0.00 C ATOM 214 C HIS A 14 -13.173 2.710 -0.695 1.00 0.00 C ATOM 215 O HIS A 14 -13.737 3.790 -0.549 1.00 0.00 O ATOM 216 CB HIS A 14 -11.129 2.827 0.784 1.00 0.00 C ATOM 217 CG HIS A 14 -10.135 2.898 -0.341 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.896 4.050 -1.056 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.288 1.969 -0.841 1.00 0.00 C ATOM 220 CE1 HIS A 14 -8.953 3.827 -1.944 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.557 2.572 -1.838 1.00 0.00 N ATOM 0 H HIS A 14 -11.176 0.438 0.165 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.099 2.159 1.336 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.382 3.844 1.085 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.648 2.352 1.639 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.376 4.939 -0.918 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.202 0.942 -0.517 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.566 4.551 -2.645 1.00 0.00 H new ATOM 230 N CYS A 15 -13.176 2.069 -1.863 1.00 0.00 N ATOM 231 CA CYS A 15 -13.964 2.573 -2.967 1.00 0.00 C ATOM 232 C CYS A 15 -15.453 2.313 -2.718 1.00 0.00 C ATOM 233 O CYS A 15 -16.298 3.156 -3.011 1.00 0.00 O ATOM 234 CB CYS A 15 -13.502 1.956 -4.287 1.00 0.00 C ATOM 235 SG CYS A 15 -14.036 0.260 -4.581 1.00 0.00 S ATOM 0 H CYS A 15 -12.650 1.217 -2.060 1.00 0.00 H new ATOM 0 HA CYS A 15 -13.818 3.651 -3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -13.863 2.579 -5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -12.413 1.986 -4.320 1.00 0.00 H new ATOM 0 HG CYS A 15 -13.839 -0.449 -3.509 1.00 0.00 H new ATOM 241 N CYS A 16 -15.763 1.142 -2.158 1.00 0.00 N ATOM 242 CA CYS A 16 -17.134 0.805 -1.786 1.00 0.00 C ATOM 243 C CYS A 16 -17.522 1.493 -0.477 1.00 0.00 C ATOM 244 O CYS A 16 -18.688 1.820 -0.246 1.00 0.00 O ATOM 245 CB CYS A 16 -17.302 -0.717 -1.637 1.00 0.00 C ATOM 246 SG CYS A 16 -17.278 -1.648 -3.192 1.00 0.00 S ATOM 0 H CYS A 16 -15.081 0.412 -1.953 1.00 0.00 H new ATOM 0 HA CYS A 16 -17.791 1.157 -2.582 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.507 -1.094 -0.994 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.245 -0.915 -1.127 1.00 0.00 H new ATOM 251 N SER A 17 -16.511 1.711 0.367 1.00 0.00 N ATOM 252 CA SER A 17 -16.672 2.288 1.705 1.00 0.00 C ATOM 253 C SER A 17 -17.612 1.434 2.551 1.00 0.00 C ATOM 254 O SER A 17 -18.283 1.924 3.459 1.00 0.00 O ATOM 255 CB SER A 17 -17.179 3.724 1.645 1.00 0.00 C ATOM 256 OG SER A 17 -16.771 4.363 0.446 1.00 0.00 O ATOM 0 H SER A 17 -15.542 1.488 0.137 1.00 0.00 H new ATOM 0 HA SER A 17 -15.687 2.301 2.172 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.267 3.731 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.803 4.281 2.503 1.00 0.00 H new ATOM 0 HG SER A 17 -15.829 4.159 0.271 1.00 0.00 H new ATOM 262 N VAL A 18 -17.631 0.149 2.248 1.00 0.00 N ATOM 263 CA VAL A 18 -18.410 -0.824 2.993 1.00 0.00 C ATOM 264 C VAL A 18 -17.527 -2.029 3.247 1.00 0.00 C ATOM 265 O VAL A 18 -16.669 -2.349 2.418 1.00 0.00 O ATOM 266 CB VAL A 18 -19.663 -1.271 2.212 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.523 -2.213 3.040 1.00 0.00 C ATOM 268 CG2 VAL A 18 -20.482 -0.076 1.761 1.00 0.00 C ATOM 0 H VAL A 18 -17.103 -0.252 1.473 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.746 -0.370 3.925 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.319 -1.808 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.398 -2.510 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.944 -3.098 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.844 -1.707 3.950 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.359 -0.422 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -20.801 0.496 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.876 0.557 1.113 1.00 0.00 H new ATOM 278 N GLU A 19 -17.706 -2.681 4.384 1.00 0.00 N ATOM 279 CA GLU A 19 -16.872 -3.815 4.723 1.00 0.00 C ATOM 280 C GLU A 19 -17.181 -5.005 3.831 1.00 0.00 C ATOM 281 O GLU A 19 -18.329 -5.232 3.443 1.00 0.00 O ATOM 282 CB GLU A 19 -17.023 -4.206 6.173 1.00 0.00 C ATOM 283 CG GLU A 19 -16.033 -5.244 6.593 1.00 0.00 C ATOM 284 CD GLU A 19 -16.024 -5.504 8.079 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.728 -4.569 8.849 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.324 -6.643 8.486 1.00 0.00 O ATOM 0 H GLU A 19 -18.414 -2.446 5.079 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.838 -3.510 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.904 -3.321 6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.032 -4.582 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.252 -6.175 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.037 -4.931 6.281 1.00 0.00 H new ATOM 293 N ILE A 20 -16.141 -5.753 3.511 1.00 0.00 N ATOM 294 CA ILE A 20 -16.241 -6.875 2.598 1.00 0.00 C ATOM 295 C ILE A 20 -15.553 -8.114 3.182 1.00 0.00 C ATOM 296 O ILE A 20 -14.835 -8.022 4.184 1.00 0.00 O ATOM 297 CB ILE A 20 -15.562 -6.554 1.266 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.090 -6.621 1.502 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.931 -5.165 0.794 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.299 -7.090 0.327 1.00 0.00 C ATOM 0 H ILE A 20 -15.202 -5.599 3.878 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.303 -7.069 2.444 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.880 -7.262 0.501 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.735 -5.632 1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.899 -7.288 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.436 -4.960 -0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.011 -5.101 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.612 -4.432 1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.240 -7.109 0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.622 -8.093 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.456 -6.412 -0.512 1.00 0.00 H new ATOM 312 N VAL A 21 -15.782 -9.267 2.568 1.00 0.00 N ATOM 313 CA VAL A 21 -14.952 -10.429 2.798 1.00 0.00 C ATOM 314 C VAL A 21 -14.444 -10.910 1.454 1.00 0.00 C ATOM 315 O VAL A 21 -15.114 -11.637 0.721 1.00 0.00 O ATOM 316 CB VAL A 21 -15.683 -11.581 3.514 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.693 -12.645 3.955 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.488 -11.075 4.698 1.00 0.00 C ATOM 0 H VAL A 21 -16.542 -9.417 1.904 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.139 -10.131 3.461 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.381 -12.026 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.226 -13.451 4.459 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.174 -13.043 3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.968 -12.206 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.991 -11.913 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.821 -10.592 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -17.231 -10.356 4.352 1.00 0.00 H new ATOM 328 N PRO A 22 -13.247 -10.447 1.137 1.00 0.00 N ATOM 329 CA PRO A 22 -12.612 -10.568 -0.173 1.00 0.00 C ATOM 330 C PRO A 22 -12.496 -11.966 -0.756 1.00 0.00 C ATOM 331 O PRO A 22 -12.801 -12.980 -0.132 1.00 0.00 O ATOM 332 CB PRO A 22 -11.209 -10.037 0.053 1.00 0.00 C ATOM 333 CG PRO A 22 -11.066 -9.791 1.500 1.00 0.00 C ATOM 334 CD PRO A 22 -12.419 -9.683 2.060 1.00 0.00 C ATOM 0 HA PRO A 22 -13.231 -10.036 -0.896 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.465 -10.756 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.049 -9.118 -0.511 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.517 -10.604 1.976 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.501 -8.876 1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.466 -10.091 3.070 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.744 -8.644 2.121 1.00 0.00 H new ATOM 342 N ARG A 23 -11.989 -11.966 -1.978 1.00 0.00 N ATOM 343 CA ARG A 23 -11.766 -13.130 -2.773 1.00 0.00 C ATOM 344 C ARG A 23 -10.263 -13.360 -2.814 1.00 0.00 C ATOM 345 O ARG A 23 -9.631 -13.440 -3.867 1.00 0.00 O ATOM 346 CB ARG A 23 -12.380 -12.885 -4.137 1.00 0.00 C ATOM 347 CG ARG A 23 -13.898 -12.947 -4.142 1.00 0.00 C ATOM 348 CD ARG A 23 -14.495 -11.995 -5.149 1.00 0.00 C ATOM 349 NE ARG A 23 -15.956 -12.020 -5.128 1.00 0.00 N ATOM 350 CZ ARG A 23 -16.735 -11.505 -6.081 1.00 0.00 C ATOM 351 NH1 ARG A 23 -16.205 -11.006 -7.195 1.00 0.00 N ATOM 352 NH2 ARG A 23 -18.052 -11.512 -5.927 1.00 0.00 N ATOM 0 H ARG A 23 -11.714 -11.106 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.231 -14.030 -2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.064 -11.906 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.992 -13.624 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.219 -13.964 -4.368 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.275 -12.707 -3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.147 -10.983 -4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.142 -12.255 -6.147 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.412 -12.462 -4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.194 -11.015 -7.327 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -16.810 -10.615 -7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.465 -11.910 -5.083 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.652 -11.120 -6.652 1.00 0.00 H new ATOM 366 N LEU A 24 -9.741 -13.295 -1.591 1.00 0.00 N ATOM 367 CA LEU A 24 -8.350 -13.586 -1.173 1.00 0.00 C ATOM 368 C LEU A 24 -7.360 -14.001 -2.268 1.00 0.00 C ATOM 369 O LEU A 24 -6.345 -13.319 -2.412 1.00 0.00 O ATOM 370 CB LEU A 24 -8.359 -14.626 -0.041 1.00 0.00 C ATOM 371 CG LEU A 24 -8.225 -14.077 1.385 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.804 -13.614 1.636 1.00 0.00 C ATOM 373 CD2 LEU A 24 -9.192 -12.932 1.630 1.00 0.00 C ATOM 0 H LEU A 24 -10.316 -13.017 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.966 -12.622 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.288 -15.193 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.544 -15.329 -0.215 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.470 -14.883 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.722 -13.226 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.120 -14.454 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.547 -12.828 0.926 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.071 -12.566 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.985 -12.125 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.214 -13.283 1.489 1.00 0.00 H new ATOM 385 N PRO A 25 -7.569 -15.134 -2.994 1.00 0.00 N ATOM 386 CA PRO A 25 -6.712 -15.555 -4.093 1.00 0.00 C ATOM 387 C PRO A 25 -6.091 -14.393 -4.873 1.00 0.00 C ATOM 388 O PRO A 25 -4.942 -14.459 -5.309 1.00 0.00 O ATOM 389 CB PRO A 25 -7.663 -16.333 -4.996 1.00 0.00 C ATOM 390 CG PRO A 25 -8.804 -16.759 -4.129 1.00 0.00 C ATOM 391 CD PRO A 25 -8.601 -16.143 -2.772 1.00 0.00 C ATOM 0 HA PRO A 25 -5.858 -16.124 -3.726 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.012 -15.712 -5.821 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.164 -17.197 -5.435 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.752 -16.435 -4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.843 -17.846 -4.054 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.521 -15.697 -2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.283 -16.885 -2.040 1.00 0.00 H new ATOM 399 N ASP A 26 -6.865 -13.331 -5.030 1.00 0.00 N ATOM 400 CA ASP A 26 -6.432 -12.153 -5.763 1.00 0.00 C ATOM 401 C ASP A 26 -6.335 -10.921 -4.868 1.00 0.00 C ATOM 402 O ASP A 26 -5.615 -9.969 -5.172 1.00 0.00 O ATOM 403 CB ASP A 26 -7.443 -11.875 -6.845 1.00 0.00 C ATOM 404 CG ASP A 26 -6.872 -12.042 -8.237 1.00 0.00 C ATOM 405 OD1 ASP A 26 -5.976 -11.264 -8.617 1.00 0.00 O ATOM 406 OD2 ASP A 26 -7.324 -12.951 -8.967 1.00 0.00 O ATOM 0 H ASP A 26 -7.810 -13.262 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.441 -12.352 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.293 -12.546 -6.723 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.820 -10.859 -6.731 1.00 0.00 H new ATOM 411 N TYR A 27 -7.070 -10.972 -3.762 1.00 0.00 N ATOM 412 CA TYR A 27 -7.310 -9.813 -2.899 1.00 0.00 C ATOM 413 C TYR A 27 -8.175 -8.800 -3.610 1.00 0.00 C ATOM 414 O TYR A 27 -7.802 -7.647 -3.821 1.00 0.00 O ATOM 415 CB TYR A 27 -6.033 -9.165 -2.388 1.00 0.00 C ATOM 416 CG TYR A 27 -5.372 -9.963 -1.301 1.00 0.00 C ATOM 417 CD1 TYR A 27 -5.862 -9.931 -0.007 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.270 -10.750 -1.567 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.268 -10.657 0.998 1.00 0.00 C ATOM 420 CE2 TYR A 27 -3.663 -11.484 -0.569 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.163 -11.432 0.714 1.00 0.00 C ATOM 422 OH TYR A 27 -3.558 -12.159 1.715 1.00 0.00 O ATOM 0 H TYR A 27 -7.522 -11.826 -3.433 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.834 -10.185 -2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.336 -9.042 -3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.262 -8.168 -2.013 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.727 -9.324 0.217 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.877 -10.792 -2.572 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.664 -10.621 2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.801 -12.096 -0.792 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.795 -12.651 1.346 1.00 0.00 H new ATOM 432 N ILE A 28 -9.332 -9.277 -3.980 1.00 0.00 N ATOM 433 CA ILE A 28 -10.354 -8.477 -4.621 1.00 0.00 C ATOM 434 C ILE A 28 -11.514 -8.298 -3.674 1.00 0.00 C ATOM 435 O ILE A 28 -11.681 -9.059 -2.723 1.00 0.00 O ATOM 436 CB ILE A 28 -10.872 -9.156 -5.903 1.00 0.00 C ATOM 437 CG1 ILE A 28 -10.522 -10.644 -5.839 1.00 0.00 C ATOM 438 CG2 ILE A 28 -10.274 -8.496 -7.129 1.00 0.00 C ATOM 439 CD1 ILE A 28 -11.212 -11.516 -6.851 1.00 0.00 C ATOM 0 H ILE A 28 -9.602 -10.251 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.915 -7.515 -4.883 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.954 -9.047 -5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.445 -10.752 -5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -10.763 -11.013 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.650 -8.987 -8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.553 -7.443 -7.148 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -9.188 -8.583 -7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.893 -12.550 -6.718 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.291 -11.448 -6.714 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.952 -11.183 -7.856 1.00 0.00 H new ATOM 451 N CYS A 29 -12.330 -7.330 -3.969 1.00 0.00 N ATOM 452 CA CYS A 29 -13.495 -7.042 -3.180 1.00 0.00 C ATOM 453 C CYS A 29 -14.680 -7.735 -3.839 1.00 0.00 C ATOM 454 O CYS A 29 -14.712 -7.894 -5.044 1.00 0.00 O ATOM 455 CB CYS A 29 -13.644 -5.517 -3.139 1.00 0.00 C ATOM 456 SG CYS A 29 -15.277 -4.853 -2.744 1.00 0.00 S ATOM 0 H CYS A 29 -12.206 -6.712 -4.771 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.426 -7.406 -2.155 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -12.936 -5.129 -2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.346 -5.123 -4.111 1.00 0.00 H new ATOM 461 N PRO A 30 -15.647 -8.199 -3.055 1.00 0.00 N ATOM 462 CA PRO A 30 -16.778 -8.951 -3.569 1.00 0.00 C ATOM 463 C PRO A 30 -17.782 -7.973 -4.102 1.00 0.00 C ATOM 464 O PRO A 30 -18.621 -8.278 -4.948 1.00 0.00 O ATOM 465 CB PRO A 30 -17.307 -9.648 -2.318 1.00 0.00 C ATOM 466 CG PRO A 30 -17.041 -8.661 -1.231 1.00 0.00 C ATOM 467 CD PRO A 30 -15.763 -7.962 -1.618 1.00 0.00 C ATOM 0 HA PRO A 30 -16.545 -9.651 -4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.370 -9.874 -2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.794 -10.592 -2.137 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.863 -7.951 -1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.938 -9.159 -0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -15.807 -6.897 -1.392 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.908 -8.367 -1.077 1.00 0.00 H new ATOM 475 N ARG A 31 -17.651 -6.769 -3.582 1.00 0.00 N ATOM 476 CA ARG A 31 -18.554 -5.697 -3.924 1.00 0.00 C ATOM 477 C ARG A 31 -18.214 -5.004 -5.236 1.00 0.00 C ATOM 478 O ARG A 31 -19.087 -4.427 -5.875 1.00 0.00 O ATOM 479 CB ARG A 31 -18.638 -4.734 -2.801 1.00 0.00 C ATOM 480 CG ARG A 31 -19.272 -5.415 -1.637 1.00 0.00 C ATOM 481 CD ARG A 31 -19.455 -4.501 -0.447 1.00 0.00 C ATOM 482 NE ARG A 31 -19.942 -5.232 0.717 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.143 -5.065 1.263 1.00 0.00 C ATOM 484 NH1 ARG A 31 -21.997 -4.178 0.758 1.00 0.00 N ATOM 485 NH2 ARG A 31 -21.489 -5.789 2.319 1.00 0.00 N ATOM 0 H ARG A 31 -16.922 -6.511 -2.917 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.534 -6.145 -4.089 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -17.644 -4.376 -2.534 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.223 -3.862 -3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.243 -5.809 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.659 -6.267 -1.343 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.507 -4.021 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.158 -3.708 -0.701 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.319 -5.919 1.142 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.732 -3.620 -0.054 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.916 -4.056 1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.835 -6.469 2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.409 -5.666 2.743 1.00 0.00 H new ATOM 499 N CYS A 32 -16.950 -5.053 -5.647 1.00 0.00 N ATOM 500 CA CYS A 32 -16.571 -4.426 -6.907 1.00 0.00 C ATOM 501 C CYS A 32 -15.457 -5.183 -7.629 1.00 0.00 C ATOM 502 O CYS A 32 -15.129 -4.855 -8.768 1.00 0.00 O ATOM 503 CB CYS A 32 -16.163 -2.961 -6.690 1.00 0.00 C ATOM 504 SG CYS A 32 -14.673 -2.732 -5.690 1.00 0.00 S ATOM 0 H CYS A 32 -16.190 -5.508 -5.141 1.00 0.00 H new ATOM 0 HA CYS A 32 -17.453 -4.460 -7.547 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -16.007 -2.494 -7.662 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -16.989 -2.435 -6.212 1.00 0.00 H new ATOM 509 N GLU A 33 -14.881 -6.201 -6.969 1.00 0.00 N ATOM 510 CA GLU A 33 -13.801 -7.002 -7.563 1.00 0.00 C ATOM 511 C GLU A 33 -12.593 -6.130 -7.899 1.00 0.00 C ATOM 512 O GLU A 33 -11.868 -6.373 -8.860 1.00 0.00 O ATOM 513 CB GLU A 33 -14.309 -7.749 -8.792 1.00 0.00 C ATOM 514 CG GLU A 33 -13.442 -8.924 -9.187 1.00 0.00 C ATOM 515 CD GLU A 33 -13.767 -9.435 -10.574 1.00 0.00 C ATOM 516 OE1 GLU A 33 -14.726 -10.224 -10.714 1.00 0.00 O ATOM 517 OE2 GLU A 33 -13.065 -9.051 -11.533 1.00 0.00 O ATOM 0 H GLU A 33 -15.145 -6.487 -6.026 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.475 -7.740 -6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.321 -8.104 -8.599 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.369 -7.055 -9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.393 -8.629 -9.147 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.574 -9.730 -8.465 1.00 0.00 H new ATOM 524 N SER A 34 -12.390 -5.105 -7.093 1.00 0.00 N ATOM 525 CA SER A 34 -11.184 -4.309 -7.161 1.00 0.00 C ATOM 526 C SER A 34 -10.368 -4.503 -5.892 1.00 0.00 C ATOM 527 O SER A 34 -10.933 -4.693 -4.811 1.00 0.00 O ATOM 528 CB SER A 34 -11.523 -2.861 -7.363 1.00 0.00 C ATOM 529 OG SER A 34 -12.276 -2.670 -8.548 1.00 0.00 O ATOM 0 H SER A 34 -13.053 -4.804 -6.378 1.00 0.00 H new ATOM 0 HA SER A 34 -10.587 -4.636 -8.013 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.089 -2.495 -6.507 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.606 -2.274 -7.413 1.00 0.00 H new ATOM 0 HG SER A 34 -12.484 -1.718 -8.653 1.00 0.00 H new ATOM 535 N GLY A 35 -9.050 -4.459 -6.021 1.00 0.00 N ATOM 536 CA GLY A 35 -8.179 -4.739 -4.897 1.00 0.00 C ATOM 537 C GLY A 35 -7.957 -3.536 -4.001 1.00 0.00 C ATOM 538 O GLY A 35 -6.859 -3.336 -3.482 1.00 0.00 O ATOM 0 H GLY A 35 -8.565 -4.233 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.607 -5.550 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.216 -5.089 -5.270 1.00 0.00 H new ATOM 542 N PHE A 36 -8.998 -2.740 -3.807 1.00 0.00 N ATOM 543 CA PHE A 36 -8.912 -1.570 -2.944 1.00 0.00 C ATOM 544 C PHE A 36 -9.336 -1.933 -1.531 1.00 0.00 C ATOM 545 O PHE A 36 -9.992 -1.151 -0.839 1.00 0.00 O ATOM 546 CB PHE A 36 -9.773 -0.429 -3.492 1.00 0.00 C ATOM 547 CG PHE A 36 -9.251 0.126 -4.781 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.168 0.988 -4.788 1.00 0.00 C ATOM 549 CD2 PHE A 36 -9.836 -0.218 -5.986 1.00 0.00 C ATOM 550 CE1 PHE A 36 -7.678 1.494 -5.973 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.351 0.287 -7.175 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.269 1.141 -7.166 1.00 0.00 C ATOM 0 H PHE A 36 -9.913 -2.882 -4.235 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.877 -1.229 -2.920 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.791 -0.788 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.823 0.370 -2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.702 1.267 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.682 -0.889 -5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.832 2.166 -5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.818 0.014 -8.110 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.884 1.534 -8.096 1.00 0.00 H new ATOM 562 N ILE A 37 -8.934 -3.123 -1.120 1.00 0.00 N ATOM 563 CA ILE A 37 -9.291 -3.662 0.178 1.00 0.00 C ATOM 564 C ILE A 37 -8.094 -3.743 1.095 1.00 0.00 C ATOM 565 O ILE A 37 -7.034 -4.230 0.709 1.00 0.00 O ATOM 566 CB ILE A 37 -9.843 -5.073 0.063 1.00 0.00 C ATOM 567 CG1 ILE A 37 -8.973 -5.945 -0.835 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.238 -5.025 -0.442 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.528 -7.333 -1.019 1.00 0.00 C ATOM 0 H ILE A 37 -8.349 -3.743 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.042 -2.983 0.582 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.836 -5.525 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.872 -5.467 -1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.972 -6.013 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.631 -6.039 -0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.855 -4.451 0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.254 -4.550 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.866 -7.907 -1.667 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.603 -7.826 -0.050 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.517 -7.272 -1.473 1.00 0.00 H new ATOM 581 N GLU A 38 -8.276 -3.295 2.308 1.00 0.00 N ATOM 582 CA GLU A 38 -7.272 -3.451 3.330 1.00 0.00 C ATOM 583 C GLU A 38 -7.877 -4.216 4.495 1.00 0.00 C ATOM 584 O GLU A 38 -9.033 -3.989 4.862 1.00 0.00 O ATOM 585 CB GLU A 38 -6.752 -2.077 3.758 1.00 0.00 C ATOM 586 CG GLU A 38 -7.839 -1.140 4.247 1.00 0.00 C ATOM 587 CD GLU A 38 -7.295 0.123 4.883 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.693 0.031 5.976 1.00 0.00 O ATOM 589 OE2 GLU A 38 -7.479 1.216 4.305 1.00 0.00 O ATOM 0 H GLU A 38 -9.120 -2.813 2.617 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.422 -4.017 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.014 -2.208 4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.237 -1.614 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.481 -0.870 3.409 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.463 -1.664 4.971 1.00 0.00 H new ATOM 596 N GLU A 39 -7.132 -5.171 5.023 1.00 0.00 N ATOM 597 CA GLU A 39 -7.599 -5.939 6.163 1.00 0.00 C ATOM 598 C GLU A 39 -7.499 -5.099 7.420 1.00 0.00 C ATOM 599 O GLU A 39 -6.500 -4.410 7.652 1.00 0.00 O ATOM 600 CB GLU A 39 -6.802 -7.231 6.307 1.00 0.00 C ATOM 601 CG GLU A 39 -7.226 -8.087 7.470 1.00 0.00 C ATOM 602 CD GLU A 39 -6.363 -9.320 7.631 1.00 0.00 C ATOM 603 OE1 GLU A 39 -6.668 -10.352 7.002 1.00 0.00 O ATOM 604 OE2 GLU A 39 -5.362 -9.260 8.374 1.00 0.00 O ATOM 0 H GLU A 39 -6.206 -5.432 4.683 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.643 -6.210 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.900 -7.810 5.389 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.746 -6.984 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.184 -7.497 8.385 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.264 -8.390 7.334 1.00 0.00 H new ATOM 611 N LEU A 40 -8.545 -5.161 8.214 1.00 0.00 N ATOM 612 CA LEU A 40 -8.692 -4.290 9.357 1.00 0.00 C ATOM 613 C LEU A 40 -8.127 -4.955 10.605 1.00 0.00 C ATOM 614 O LEU A 40 -8.788 -5.858 11.162 1.00 0.00 O ATOM 615 CB LEU A 40 -10.172 -3.950 9.521 1.00 0.00 C ATOM 616 CG LEU A 40 -10.912 -3.730 8.195 1.00 0.00 C ATOM 617 CD1 LEU A 40 -12.400 -3.623 8.424 1.00 0.00 C ATOM 618 CD2 LEU A 40 -10.403 -2.492 7.473 1.00 0.00 C ATOM 619 OXT LEU A 40 -7.012 -4.580 11.019 1.00 0.00 O ATOM 0 H LEU A 40 -9.316 -5.816 8.085 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.132 -3.368 9.204 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.661 -4.756 10.069 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.262 -3.050 10.129 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.715 -4.596 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.905 -3.467 7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.765 -4.543 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.607 -2.782 9.086 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.949 -2.366 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.555 -1.615 8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.340 -2.606 7.260 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 34.873 10.831 -3.101 1.00 0.00 N ATOM 633 CA MET C 2 33.453 10.633 -2.717 1.00 0.00 C ATOM 634 C MET C 2 32.951 11.808 -1.882 1.00 0.00 C ATOM 635 O MET C 2 31.764 12.137 -1.915 1.00 0.00 O ATOM 636 CB MET C 2 33.289 9.333 -1.929 1.00 0.00 C ATOM 637 CG MET C 2 33.807 8.109 -2.661 1.00 0.00 C ATOM 638 SD MET C 2 33.781 6.622 -1.646 1.00 0.00 S ATOM 639 CE MET C 2 34.746 5.516 -2.668 1.00 0.00 C ATOM 0 HA MET C 2 32.861 10.573 -3.630 1.00 0.00 H new ATOM 0 HB2 MET C 2 33.813 9.426 -0.978 1.00 0.00 H new ATOM 0 HB3 MET C 2 32.234 9.188 -1.698 1.00 0.00 H new ATOM 0 HG2 MET C 2 33.204 7.944 -3.554 1.00 0.00 H new ATOM 0 HG3 MET C 2 34.827 8.297 -2.995 1.00 0.00 H new ATOM 0 HE1 MET C 2 34.377 4.497 -2.550 1.00 0.00 H new ATOM 0 HE2 MET C 2 34.658 5.815 -3.712 1.00 0.00 H new ATOM 0 HE3 MET C 2 35.792 5.561 -2.365 1.00 0.00 H new ATOM 651 N ALA C 3 33.871 12.425 -1.128 1.00 0.00 N ATOM 652 CA ALA C 3 33.586 13.605 -0.307 1.00 0.00 C ATOM 653 C ALA C 3 32.713 13.270 0.898 1.00 0.00 C ATOM 654 O ALA C 3 33.174 13.292 2.038 1.00 0.00 O ATOM 655 CB ALA C 3 32.952 14.715 -1.140 1.00 0.00 C ATOM 0 H ALA C 3 34.841 12.115 -1.072 1.00 0.00 H new ATOM 0 HA ALA C 3 34.542 13.963 0.074 1.00 0.00 H new ATOM 0 HB1 ALA C 3 32.752 15.578 -0.504 1.00 0.00 H new ATOM 0 HB2 ALA C 3 33.634 15.004 -1.940 1.00 0.00 H new ATOM 0 HB3 ALA C 3 32.017 14.357 -1.571 1.00 0.00 H new ATOM 661 N HIS C 4 31.459 12.950 0.641 1.00 0.00 N ATOM 662 CA HIS C 4 30.498 12.681 1.698 1.00 0.00 C ATOM 663 C HIS C 4 29.444 11.706 1.195 1.00 0.00 C ATOM 664 O HIS C 4 28.755 11.988 0.216 1.00 0.00 O ATOM 665 CB HIS C 4 29.851 13.988 2.190 1.00 0.00 C ATOM 666 CG HIS C 4 29.403 14.913 1.090 1.00 0.00 C ATOM 667 ND1 HIS C 4 30.153 15.987 0.658 1.00 0.00 N ATOM 668 CD2 HIS C 4 28.282 14.917 0.330 1.00 0.00 C ATOM 669 CE1 HIS C 4 29.515 16.603 -0.317 1.00 0.00 C ATOM 670 NE2 HIS C 4 28.378 15.974 -0.538 1.00 0.00 N ATOM 0 H HIS C 4 31.077 12.869 -0.301 1.00 0.00 H new ATOM 0 HA HIS C 4 31.016 12.230 2.544 1.00 0.00 H new ATOM 0 HB2 HIS C 4 28.991 13.741 2.813 1.00 0.00 H new ATOM 0 HB3 HIS C 4 30.564 14.516 2.824 1.00 0.00 H new ATOM 0 HD2 HIS C 4 27.463 14.216 0.396 1.00 0.00 H new ATOM 0 HE1 HIS C 4 29.865 17.477 -0.846 1.00 0.00 H new ATOM 0 HE2 HIS C 4 27.684 16.231 -1.239 1.00 0.00 H new ATOM 679 N HIS C 5 29.338 10.558 1.860 1.00 0.00 N ATOM 680 CA HIS C 5 28.454 9.481 1.416 1.00 0.00 C ATOM 681 C HIS C 5 28.867 9.029 0.018 1.00 0.00 C ATOM 682 O HIS C 5 29.994 9.294 -0.412 1.00 0.00 O ATOM 683 CB HIS C 5 26.981 9.930 1.415 1.00 0.00 C ATOM 684 CG HIS C 5 26.430 10.252 2.772 1.00 0.00 C ATOM 685 ND1 HIS C 5 25.582 9.412 3.462 1.00 0.00 N ATOM 686 CD2 HIS C 5 26.596 11.341 3.561 1.00 0.00 C ATOM 687 CE1 HIS C 5 25.249 9.970 4.611 1.00 0.00 C ATOM 688 NE2 HIS C 5 25.852 11.140 4.696 1.00 0.00 N ATOM 0 H HIS C 5 29.856 10.348 2.713 1.00 0.00 H new ATOM 0 HA HIS C 5 28.547 8.648 2.113 1.00 0.00 H new ATOM 0 HB2 HIS C 5 26.882 10.809 0.778 1.00 0.00 H new ATOM 0 HB3 HIS C 5 26.374 9.143 0.967 1.00 0.00 H new ATOM 0 HD2 HIS C 5 27.202 12.207 3.338 1.00 0.00 H new ATOM 0 HE1 HIS C 5 24.594 9.541 5.355 1.00 0.00 H new ATOM 0 HE2 HIS C 5 25.777 11.790 5.479 1.00 0.00 H new ATOM 697 N HIS C 6 27.969 8.328 -0.668 1.00 0.00 N ATOM 698 CA HIS C 6 28.155 7.981 -2.075 1.00 0.00 C ATOM 699 C HIS C 6 29.446 7.186 -2.299 1.00 0.00 C ATOM 700 O HIS C 6 30.416 7.690 -2.868 1.00 0.00 O ATOM 701 CB HIS C 6 28.148 9.257 -2.927 1.00 0.00 C ATOM 702 CG HIS C 6 28.163 9.006 -4.401 1.00 0.00 C ATOM 703 ND1 HIS C 6 29.116 9.528 -5.245 1.00 0.00 N ATOM 704 CD2 HIS C 6 27.325 8.289 -5.182 1.00 0.00 C ATOM 705 CE1 HIS C 6 28.862 9.147 -6.479 1.00 0.00 C ATOM 706 NE2 HIS C 6 27.781 8.392 -6.468 1.00 0.00 N ATOM 0 H HIS C 6 27.096 7.985 -0.267 1.00 0.00 H new ATOM 0 HA HIS C 6 27.328 7.340 -2.380 1.00 0.00 H new ATOM 0 HB2 HIS C 6 27.263 9.843 -2.678 1.00 0.00 H new ATOM 0 HB3 HIS C 6 29.015 9.862 -2.663 1.00 0.00 H new ATOM 0 HD2 HIS C 6 26.457 7.737 -4.852 1.00 0.00 H new ATOM 0 HE1 HIS C 6 29.441 9.408 -7.352 1.00 0.00 H new ATOM 0 HE2 HIS C 6 27.354 7.956 -7.285 1.00 0.00 H new ATOM 715 N HIS C 7 29.445 5.943 -1.845 1.00 0.00 N ATOM 716 CA HIS C 7 30.577 5.052 -2.055 1.00 0.00 C ATOM 717 C HIS C 7 30.534 4.489 -3.471 1.00 0.00 C ATOM 718 O HIS C 7 29.498 4.527 -4.131 1.00 0.00 O ATOM 719 CB HIS C 7 30.568 3.917 -1.028 1.00 0.00 C ATOM 720 CG HIS C 7 30.794 4.378 0.382 1.00 0.00 C ATOM 721 ND1 HIS C 7 29.838 4.286 1.368 1.00 0.00 N ATOM 722 CD2 HIS C 7 31.882 4.931 0.969 1.00 0.00 C ATOM 723 CE1 HIS C 7 30.325 4.763 2.497 1.00 0.00 C ATOM 724 NE2 HIS C 7 31.565 5.160 2.285 1.00 0.00 N ATOM 0 H HIS C 7 28.671 5.526 -1.327 1.00 0.00 H new ATOM 0 HA HIS C 7 31.499 5.619 -1.926 1.00 0.00 H new ATOM 0 HB2 HIS C 7 29.611 3.397 -1.082 1.00 0.00 H new ATOM 0 HB3 HIS C 7 31.339 3.193 -1.292 1.00 0.00 H new ATOM 0 HD2 HIS C 7 32.825 5.151 0.490 1.00 0.00 H new ATOM 0 HE1 HIS C 7 29.797 4.819 3.437 1.00 0.00 H new ATOM 0 HE2 HIS C 7 32.186 5.569 2.983 1.00 0.00 H new ATOM 733 N HIS C 8 31.657 3.952 -3.930 1.00 0.00 N ATOM 734 CA HIS C 8 31.776 3.500 -5.311 1.00 0.00 C ATOM 735 C HIS C 8 31.412 2.017 -5.427 1.00 0.00 C ATOM 736 O HIS C 8 31.752 1.349 -6.403 1.00 0.00 O ATOM 737 CB HIS C 8 33.198 3.759 -5.825 1.00 0.00 C ATOM 738 CG HIS C 8 33.322 3.770 -7.320 1.00 0.00 C ATOM 739 ND1 HIS C 8 33.091 4.893 -8.087 1.00 0.00 N ATOM 740 CD2 HIS C 8 33.664 2.791 -8.191 1.00 0.00 C ATOM 741 CE1 HIS C 8 33.283 4.604 -9.359 1.00 0.00 C ATOM 742 NE2 HIS C 8 33.630 3.335 -9.450 1.00 0.00 N ATOM 0 H HIS C 8 32.497 3.819 -3.368 1.00 0.00 H new ATOM 0 HA HIS C 8 31.077 4.064 -5.928 1.00 0.00 H new ATOM 0 HB2 HIS C 8 33.543 4.717 -5.437 1.00 0.00 H new ATOM 0 HB3 HIS C 8 33.862 2.994 -5.423 1.00 0.00 H new ATOM 0 HD2 HIS C 8 33.917 1.771 -7.941 1.00 0.00 H new ATOM 0 HE1 HIS C 8 33.175 5.290 -10.186 1.00 0.00 H new ATOM 0 HE2 HIS C 8 33.839 2.838 -10.316 1.00 0.00 H new ATOM 751 N HIS C 9 30.722 1.507 -4.417 1.00 0.00 N ATOM 752 CA HIS C 9 30.187 0.147 -4.459 1.00 0.00 C ATOM 753 C HIS C 9 28.700 0.197 -4.769 1.00 0.00 C ATOM 754 O HIS C 9 27.983 -0.799 -4.651 1.00 0.00 O ATOM 755 CB HIS C 9 30.432 -0.587 -3.138 1.00 0.00 C ATOM 756 CG HIS C 9 31.810 -1.165 -3.011 1.00 0.00 C ATOM 757 ND1 HIS C 9 32.059 -2.394 -2.439 1.00 0.00 N ATOM 758 CD2 HIS C 9 33.017 -0.674 -3.374 1.00 0.00 C ATOM 759 CE1 HIS C 9 33.358 -2.631 -2.456 1.00 0.00 C ATOM 760 NE2 HIS C 9 33.963 -1.603 -3.019 1.00 0.00 N ATOM 0 H HIS C 9 30.517 2.013 -3.555 1.00 0.00 H new ATOM 0 HA HIS C 9 30.704 -0.405 -5.244 1.00 0.00 H new ATOM 0 HB2 HIS C 9 30.261 0.104 -2.313 1.00 0.00 H new ATOM 0 HB3 HIS C 9 29.701 -1.390 -3.039 1.00 0.00 H new ATOM 0 HD2 HIS C 9 33.202 0.275 -3.855 1.00 0.00 H new ATOM 0 HE1 HIS C 9 33.843 -3.517 -2.074 1.00 0.00 H new ATOM 0 HE2 HIS C 9 34.968 -1.513 -3.166 1.00 0.00 H new ATOM 769 N VAL C 10 28.254 1.380 -5.160 1.00 0.00 N ATOM 770 CA VAL C 10 26.871 1.617 -5.525 1.00 0.00 C ATOM 771 C VAL C 10 26.781 2.855 -6.394 1.00 0.00 C ATOM 772 O VAL C 10 27.666 3.711 -6.355 1.00 0.00 O ATOM 773 CB VAL C 10 25.967 1.764 -4.273 1.00 0.00 C ATOM 774 CG1 VAL C 10 26.567 2.749 -3.280 1.00 0.00 C ATOM 775 CG2 VAL C 10 24.545 2.178 -4.627 1.00 0.00 C ATOM 0 H VAL C 10 28.847 2.207 -5.233 1.00 0.00 H new ATOM 0 HA VAL C 10 26.511 0.754 -6.085 1.00 0.00 H new ATOM 0 HB VAL C 10 25.915 0.778 -3.810 1.00 0.00 H new ATOM 0 HG11 VAL C 10 25.914 2.834 -2.412 1.00 0.00 H new ATOM 0 HG12 VAL C 10 27.548 2.394 -2.963 1.00 0.00 H new ATOM 0 HG13 VAL C 10 26.670 3.726 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL C 10 23.954 2.267 -3.715 1.00 0.00 H new ATOM 0 HG22 VAL C 10 24.563 3.138 -5.142 1.00 0.00 H new ATOM 0 HG23 VAL C 10 24.098 1.426 -5.277 1.00 0.00 H new ATOM 785 N ASP C 11 25.737 2.936 -7.184 1.00 0.00 N ATOM 786 CA ASP C 11 25.527 4.092 -8.050 1.00 0.00 C ATOM 787 C ASP C 11 25.234 5.312 -7.194 1.00 0.00 C ATOM 788 O ASP C 11 25.970 6.300 -7.213 1.00 0.00 O ATOM 789 CB ASP C 11 24.365 3.832 -9.011 1.00 0.00 C ATOM 790 CG ASP C 11 24.013 5.044 -9.847 1.00 0.00 C ATOM 791 OD1 ASP C 11 24.689 5.284 -10.868 1.00 0.00 O ATOM 792 OD2 ASP C 11 23.050 5.755 -9.494 1.00 0.00 O ATOM 0 H ASP C 11 25.014 2.219 -7.251 1.00 0.00 H new ATOM 0 HA ASP C 11 26.427 4.269 -8.639 1.00 0.00 H new ATOM 0 HB2 ASP C 11 24.624 3.004 -9.671 1.00 0.00 H new ATOM 0 HB3 ASP C 11 23.489 3.523 -8.440 1.00 0.00 H new ATOM 797 N ASP C 12 24.154 5.196 -6.438 1.00 0.00 N ATOM 798 CA ASP C 12 23.723 6.190 -5.462 1.00 0.00 C ATOM 799 C ASP C 12 22.405 5.701 -4.900 1.00 0.00 C ATOM 800 O ASP C 12 22.202 5.621 -3.688 1.00 0.00 O ATOM 801 CB ASP C 12 23.551 7.577 -6.088 1.00 0.00 C ATOM 802 CG ASP C 12 23.370 8.658 -5.042 1.00 0.00 C ATOM 803 OD1 ASP C 12 24.383 9.106 -4.465 1.00 0.00 O ATOM 804 OD2 ASP C 12 22.220 9.068 -4.789 1.00 0.00 O ATOM 0 H ASP C 12 23.535 4.387 -6.486 1.00 0.00 H new ATOM 0 HA ASP C 12 24.479 6.299 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP C 12 24.423 7.808 -6.700 1.00 0.00 H new ATOM 0 HB3 ASP C 12 22.688 7.569 -6.753 1.00 0.00 H new ATOM 809 N ASP C 13 21.516 5.360 -5.821 1.00 0.00 N ATOM 810 CA ASP C 13 20.338 4.571 -5.521 1.00 0.00 C ATOM 811 C ASP C 13 19.977 3.761 -6.766 1.00 0.00 C ATOM 812 O ASP C 13 19.351 4.253 -7.706 1.00 0.00 O ATOM 813 CB ASP C 13 19.161 5.440 -5.023 1.00 0.00 C ATOM 814 CG ASP C 13 18.486 6.277 -6.094 1.00 0.00 C ATOM 815 OD1 ASP C 13 19.085 7.265 -6.564 1.00 0.00 O ATOM 816 OD2 ASP C 13 17.342 5.947 -6.468 1.00 0.00 O ATOM 0 H ASP C 13 21.595 5.626 -6.802 1.00 0.00 H new ATOM 0 HA ASP C 13 20.556 3.891 -4.697 1.00 0.00 H new ATOM 0 HB2 ASP C 13 18.415 4.789 -4.568 1.00 0.00 H new ATOM 0 HB3 ASP C 13 19.525 6.104 -4.239 1.00 0.00 H new ATOM 821 N ASP C 14 20.437 2.519 -6.793 1.00 0.00 N ATOM 822 CA ASP C 14 20.264 1.655 -7.954 1.00 0.00 C ATOM 823 C ASP C 14 18.867 1.079 -8.006 1.00 0.00 C ATOM 824 O ASP C 14 18.507 0.388 -8.958 1.00 0.00 O ATOM 825 CB ASP C 14 21.259 0.509 -7.903 1.00 0.00 C ATOM 826 CG ASP C 14 22.660 0.902 -8.308 1.00 0.00 C ATOM 827 OD1 ASP C 14 22.947 0.932 -9.523 1.00 0.00 O ATOM 828 OD2 ASP C 14 23.493 1.154 -7.409 1.00 0.00 O ATOM 0 H ASP C 14 20.937 2.083 -6.018 1.00 0.00 H new ATOM 0 HA ASP C 14 20.432 2.262 -8.844 1.00 0.00 H new ATOM 0 HB2 ASP C 14 21.283 0.105 -6.891 1.00 0.00 H new ATOM 0 HB3 ASP C 14 20.912 -0.291 -8.557 1.00 0.00 H new ATOM 833 N LYS C 15 18.077 1.399 -6.982 1.00 0.00 N ATOM 834 CA LYS C 15 16.751 0.837 -6.808 1.00 0.00 C ATOM 835 C LYS C 15 16.752 -0.684 -6.933 1.00 0.00 C ATOM 836 O LYS C 15 17.797 -1.332 -6.832 1.00 0.00 O ATOM 837 CB LYS C 15 15.850 1.481 -7.836 1.00 0.00 C ATOM 838 CG LYS C 15 15.991 2.990 -7.841 1.00 0.00 C ATOM 839 CD LYS C 15 15.534 3.566 -9.157 1.00 0.00 C ATOM 840 CE LYS C 15 15.451 5.083 -9.140 1.00 0.00 C ATOM 841 NZ LYS C 15 16.784 5.716 -8.986 1.00 0.00 N ATOM 0 H LYS C 15 18.345 2.058 -6.251 1.00 0.00 H new ATOM 0 HA LYS C 15 16.388 1.046 -5.802 1.00 0.00 H new ATOM 0 HB2 LYS C 15 16.089 1.090 -8.825 1.00 0.00 H new ATOM 0 HB3 LYS C 15 14.814 1.213 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS C 15 15.404 3.417 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS C 15 17.031 3.263 -7.661 1.00 0.00 H new ATOM 0 HD2 LYS C 15 16.221 3.253 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS C 15 14.556 3.156 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS C 15 14.991 5.430 -10.065 1.00 0.00 H new ATOM 0 HE3 LYS C 15 14.803 5.401 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 16.843 6.554 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 16.920 6.002 -7.995 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 17.524 5.037 -9.255 1.00 0.00 H new ATOM 855 N MET C 16 15.568 -1.246 -7.086 1.00 0.00 N ATOM 856 CA MET C 16 15.419 -2.688 -7.266 1.00 0.00 C ATOM 857 C MET C 16 13.989 -3.071 -7.651 1.00 0.00 C ATOM 858 O MET C 16 13.781 -4.053 -8.364 1.00 0.00 O ATOM 859 CB MET C 16 15.846 -3.444 -6.003 1.00 0.00 C ATOM 860 CG MET C 16 15.867 -4.955 -6.178 1.00 0.00 C ATOM 861 SD MET C 16 16.640 -5.812 -4.792 1.00 0.00 S ATOM 862 CE MET C 16 18.338 -5.261 -4.954 1.00 0.00 C ATOM 0 H MET C 16 14.689 -0.729 -7.090 1.00 0.00 H new ATOM 0 HA MET C 16 16.074 -2.976 -8.088 1.00 0.00 H new ATOM 0 HB2 MET C 16 16.839 -3.107 -5.706 1.00 0.00 H new ATOM 0 HB3 MET C 16 15.166 -3.190 -5.190 1.00 0.00 H new ATOM 0 HG2 MET C 16 14.845 -5.316 -6.298 1.00 0.00 H new ATOM 0 HG3 MET C 16 16.402 -5.202 -7.095 1.00 0.00 H new ATOM 0 HE1 MET C 16 18.998 -5.958 -4.438 1.00 0.00 H new ATOM 0 HE2 MET C 16 18.608 -5.220 -6.009 1.00 0.00 H new ATOM 0 HE3 MET C 16 18.442 -4.269 -4.514 1.00 0.00 H new ATOM 872 N LEU C 17 12.994 -2.314 -7.187 1.00 0.00 N ATOM 873 CA LEU C 17 11.613 -2.620 -7.530 1.00 0.00 C ATOM 874 C LEU C 17 11.126 -1.648 -8.572 1.00 0.00 C ATOM 875 O LEU C 17 11.499 -0.479 -8.577 1.00 0.00 O ATOM 876 CB LEU C 17 10.646 -2.516 -6.348 1.00 0.00 C ATOM 877 CG LEU C 17 10.843 -3.445 -5.137 1.00 0.00 C ATOM 878 CD1 LEU C 17 11.947 -4.453 -5.332 1.00 0.00 C ATOM 879 CD2 LEU C 17 11.025 -2.639 -3.897 1.00 0.00 C ATOM 0 H LEU C 17 13.118 -1.501 -6.584 1.00 0.00 H new ATOM 0 HA LEU C 17 11.620 -3.651 -7.883 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.681 -1.489 -5.984 1.00 0.00 H new ATOM 0 HB3 LEU C 17 9.639 -2.684 -6.731 1.00 0.00 H new ATOM 0 HG LEU C 17 9.936 -4.040 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU C 17 12.033 -5.076 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU C 17 11.719 -5.081 -6.193 1.00 0.00 H new ATOM 0 HD13 LEU C 17 12.889 -3.932 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU C 17 11.164 -3.306 -3.046 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.902 -2.000 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU C 17 10.143 -2.020 -3.733 1.00 0.00 H new ATOM 891 N GLU C 18 10.256 -2.131 -9.409 1.00 0.00 N ATOM 892 CA GLU C 18 9.592 -1.308 -10.383 1.00 0.00 C ATOM 893 C GLU C 18 8.176 -1.130 -9.930 1.00 0.00 C ATOM 894 O GLU C 18 7.267 -1.843 -10.347 1.00 0.00 O ATOM 895 CB GLU C 18 9.665 -1.945 -11.752 1.00 0.00 C ATOM 896 CG GLU C 18 10.695 -1.314 -12.672 1.00 0.00 C ATOM 897 CD GLU C 18 10.799 -2.022 -14.006 1.00 0.00 C ATOM 898 OE1 GLU C 18 10.060 -1.645 -14.938 1.00 0.00 O ATOM 899 OE2 GLU C 18 11.621 -2.955 -14.129 1.00 0.00 O ATOM 0 H GLU C 18 9.984 -3.114 -9.437 1.00 0.00 H new ATOM 0 HA GLU C 18 10.076 -0.335 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU C 18 9.896 -3.004 -11.637 1.00 0.00 H new ATOM 0 HB3 GLU C 18 8.684 -1.882 -12.224 1.00 0.00 H new ATOM 0 HG2 GLU C 18 10.435 -0.269 -12.839 1.00 0.00 H new ATOM 0 HG3 GLU C 18 11.669 -1.325 -12.182 1.00 0.00 H new ATOM 906 N VAL C 19 8.008 -0.173 -9.056 1.00 0.00 N ATOM 907 CA VAL C 19 6.807 -0.047 -8.305 1.00 0.00 C ATOM 908 C VAL C 19 5.708 0.431 -9.200 1.00 0.00 C ATOM 909 O VAL C 19 5.946 1.204 -10.109 1.00 0.00 O ATOM 910 CB VAL C 19 7.023 0.943 -7.161 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.701 1.526 -6.683 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.754 0.281 -6.009 1.00 0.00 C ATOM 0 H VAL C 19 8.709 0.539 -8.851 1.00 0.00 H new ATOM 0 HA VAL C 19 6.530 -1.016 -7.889 1.00 0.00 H new ATOM 0 HB VAL C 19 7.638 1.760 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL C 19 5.886 2.227 -5.869 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.214 2.047 -7.507 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.055 0.722 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL C 19 7.897 1.004 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.166 -0.560 -5.640 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.725 -0.077 -6.352 1.00 0.00 H new ATOM 922 N LEU C 20 4.533 -0.062 -8.963 1.00 0.00 N ATOM 923 CA LEU C 20 3.363 0.405 -9.641 1.00 0.00 C ATOM 924 C LEU C 20 2.305 0.744 -8.599 1.00 0.00 C ATOM 925 O LEU C 20 2.364 0.241 -7.479 1.00 0.00 O ATOM 926 CB LEU C 20 2.870 -0.684 -10.581 1.00 0.00 C ATOM 927 CG LEU C 20 3.602 -0.842 -11.910 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.560 -2.291 -12.364 1.00 0.00 C ATOM 929 CD2 LEU C 20 2.954 0.045 -12.963 1.00 0.00 C ATOM 0 H LEU C 20 4.356 -0.806 -8.288 1.00 0.00 H new ATOM 0 HA LEU C 20 3.582 1.297 -10.228 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.921 -1.636 -10.052 1.00 0.00 H new ATOM 0 HB3 LEU C 20 1.818 -0.495 -10.795 1.00 0.00 H new ATOM 0 HG LEU C 20 4.642 -0.544 -11.777 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.086 -2.390 -13.314 1.00 0.00 H new ATOM 0 HD12 LEU C 20 4.041 -2.921 -11.615 1.00 0.00 H new ATOM 0 HD13 LEU C 20 2.523 -2.603 -12.489 1.00 0.00 H new ATOM 0 HD21 LEU C 20 3.480 -0.071 -13.910 1.00 0.00 H new ATOM 0 HD22 LEU C 20 1.911 -0.244 -13.090 1.00 0.00 H new ATOM 0 HD23 LEU C 20 3.006 1.086 -12.644 1.00 0.00 H new ATOM 941 N VAL C 21 1.362 1.607 -8.947 1.00 0.00 N ATOM 942 CA VAL C 21 0.287 1.995 -8.037 1.00 0.00 C ATOM 943 C VAL C 21 -1.008 2.231 -8.838 1.00 0.00 C ATOM 944 O VAL C 21 -0.941 2.556 -10.018 1.00 0.00 O ATOM 945 CB VAL C 21 0.631 3.286 -7.260 1.00 0.00 C ATOM 946 CG1 VAL C 21 1.930 3.123 -6.490 1.00 0.00 C ATOM 947 CG2 VAL C 21 0.678 4.480 -8.204 1.00 0.00 C ATOM 0 H VAL C 21 1.317 2.057 -9.861 1.00 0.00 H new ATOM 0 HA VAL C 21 0.155 1.185 -7.320 1.00 0.00 H new ATOM 0 HB VAL C 21 -0.156 3.474 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.152 4.044 -5.951 1.00 0.00 H new ATOM 0 HG12 VAL C 21 1.831 2.302 -5.780 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.741 2.906 -7.186 1.00 0.00 H new ATOM 0 HG21 VAL C 21 0.921 5.380 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL C 21 1.439 4.312 -8.966 1.00 0.00 H new ATOM 0 HG23 VAL C 21 -0.293 4.604 -8.683 1.00 0.00 H new ATOM 957 N LYS C 22 -2.170 2.050 -8.216 1.00 0.00 N ATOM 958 CA LYS C 22 -3.445 2.365 -8.823 1.00 0.00 C ATOM 959 C LYS C 22 -4.356 3.040 -7.802 1.00 0.00 C ATOM 960 O LYS C 22 -4.808 2.402 -6.849 1.00 0.00 O ATOM 961 CB LYS C 22 -4.148 1.104 -9.316 1.00 0.00 C ATOM 962 CG LYS C 22 -3.471 0.385 -10.470 1.00 0.00 C ATOM 963 CD LYS C 22 -4.426 -0.559 -11.204 1.00 0.00 C ATOM 964 CE LYS C 22 -5.630 0.164 -11.776 1.00 0.00 C ATOM 965 NZ LYS C 22 -6.390 -0.703 -12.715 1.00 0.00 N ATOM 0 H LYS C 22 -2.246 1.677 -7.270 1.00 0.00 H new ATOM 0 HA LYS C 22 -3.250 3.028 -9.666 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.238 0.409 -8.481 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -5.161 1.369 -9.620 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -3.078 1.120 -11.173 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.620 -0.183 -10.093 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -3.889 -1.059 -12.010 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.764 -1.335 -10.517 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -6.283 0.484 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -5.302 1.065 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -7.401 -0.674 -12.473 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -6.257 -0.361 -13.688 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.045 -1.681 -12.641 1.00 0.00 H new ATOM 979 N THR C 23 -4.619 4.319 -7.992 1.00 0.00 N ATOM 980 CA THR C 23 -5.552 5.041 -7.141 1.00 0.00 C ATOM 981 C THR C 23 -6.953 5.055 -7.750 1.00 0.00 C ATOM 982 O THR C 23 -7.193 5.705 -8.770 1.00 0.00 O ATOM 983 CB THR C 23 -5.084 6.483 -6.898 1.00 0.00 C ATOM 984 OG1 THR C 23 -4.403 6.972 -8.055 1.00 0.00 O ATOM 985 CG2 THR C 23 -4.168 6.570 -5.690 1.00 0.00 C ATOM 0 H THR C 23 -4.199 4.883 -8.731 1.00 0.00 H new ATOM 0 HA THR C 23 -5.586 4.518 -6.185 1.00 0.00 H new ATOM 0 HB THR C 23 -5.964 7.096 -6.702 1.00 0.00 H new ATOM 0 HG1 THR C 23 -3.971 7.826 -7.844 1.00 0.00 H new ATOM 0 HG21 THR C 23 -3.854 7.604 -5.545 1.00 0.00 H new ATOM 0 HG22 THR C 23 -4.701 6.225 -4.804 1.00 0.00 H new ATOM 0 HG23 THR C 23 -3.291 5.944 -5.853 1.00 0.00 H new ATOM 993 N LEU C 24 -7.858 4.295 -7.128 1.00 0.00 N ATOM 994 CA LEU C 24 -9.264 4.204 -7.548 1.00 0.00 C ATOM 995 C LEU C 24 -9.412 3.781 -9.000 1.00 0.00 C ATOM 996 O LEU C 24 -10.424 4.069 -9.638 1.00 0.00 O ATOM 997 CB LEU C 24 -9.988 5.519 -7.325 1.00 0.00 C ATOM 998 CG LEU C 24 -10.546 5.736 -5.915 1.00 0.00 C ATOM 999 CD1 LEU C 24 -11.598 4.681 -5.592 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -9.426 5.715 -4.887 1.00 0.00 C ATOM 0 H LEU C 24 -7.637 3.721 -6.314 1.00 0.00 H new ATOM 0 HA LEU C 24 -9.718 3.432 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -9.302 6.334 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -10.811 5.585 -8.036 1.00 0.00 H new ATOM 0 HG LEU C 24 -11.021 6.716 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -11.985 4.849 -4.587 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -12.414 4.749 -6.311 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -11.148 3.690 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -9.843 5.871 -3.892 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -8.919 4.751 -4.921 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -8.713 6.508 -5.110 1.00 0.00 H new ATOM 1012 N ASP C 25 -8.374 3.139 -9.514 1.00 0.00 N ATOM 1013 CA ASP C 25 -8.376 2.541 -10.853 1.00 0.00 C ATOM 1014 C ASP C 25 -8.218 3.601 -11.940 1.00 0.00 C ATOM 1015 O ASP C 25 -7.768 3.301 -13.047 1.00 0.00 O ATOM 1016 CB ASP C 25 -9.644 1.709 -11.088 1.00 0.00 C ATOM 1017 CG ASP C 25 -9.650 1.032 -12.442 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -8.886 0.066 -12.626 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -10.422 1.458 -13.324 1.00 0.00 O ATOM 0 H ASP C 25 -7.494 3.014 -9.013 1.00 0.00 H new ATOM 0 HA ASP C 25 -7.516 1.873 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -9.729 0.953 -10.307 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -10.519 2.354 -11.004 1.00 0.00 H new ATOM 1024 N SER C 26 -8.571 4.837 -11.616 1.00 0.00 N ATOM 1025 CA SER C 26 -8.406 5.948 -12.536 1.00 0.00 C ATOM 1026 C SER C 26 -6.941 6.089 -12.931 1.00 0.00 C ATOM 1027 O SER C 26 -6.612 6.263 -14.105 1.00 0.00 O ATOM 1028 CB SER C 26 -8.911 7.235 -11.886 1.00 0.00 C ATOM 1029 OG SER C 26 -10.221 7.058 -11.369 1.00 0.00 O ATOM 0 H SER C 26 -8.976 5.094 -10.716 1.00 0.00 H new ATOM 0 HA SER C 26 -8.989 5.757 -13.437 1.00 0.00 H new ATOM 0 HB2 SER C 26 -8.236 7.532 -11.084 1.00 0.00 H new ATOM 0 HB3 SER C 26 -8.910 8.042 -12.618 1.00 0.00 H new ATOM 0 HG SER C 26 -10.525 7.893 -10.956 1.00 0.00 H new ATOM 1035 N GLN C 27 -6.060 5.986 -11.950 1.00 0.00 N ATOM 1036 CA GLN C 27 -4.650 6.091 -12.199 1.00 0.00 C ATOM 1037 C GLN C 27 -3.963 4.743 -12.093 1.00 0.00 C ATOM 1038 O GLN C 27 -4.537 3.750 -11.640 1.00 0.00 O ATOM 1039 CB GLN C 27 -4.010 7.051 -11.221 1.00 0.00 C ATOM 1040 CG GLN C 27 -4.733 8.363 -11.171 1.00 0.00 C ATOM 1041 CD GLN C 27 -4.195 9.274 -10.107 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -3.019 9.218 -9.753 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -5.045 10.125 -9.592 1.00 0.00 N ATOM 0 H GLN C 27 -6.307 5.829 -10.973 1.00 0.00 H new ATOM 0 HA GLN C 27 -4.529 6.465 -13.216 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -4.000 6.604 -10.227 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -2.971 7.220 -11.505 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -4.654 8.855 -12.140 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -5.793 8.184 -10.990 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -6.013 10.138 -9.915 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -4.740 10.775 -8.868 1.00 0.00 H new ATOM 1052 N THR C 28 -2.719 4.771 -12.483 1.00 0.00 N ATOM 1053 CA THR C 28 -1.802 3.635 -12.462 1.00 0.00 C ATOM 1054 C THR C 28 -0.417 4.146 -12.838 1.00 0.00 C ATOM 1055 O THR C 28 -0.154 4.426 -14.009 1.00 0.00 O ATOM 1056 CB THR C 28 -2.168 2.513 -13.452 1.00 0.00 C ATOM 1057 OG1 THR C 28 -3.418 1.915 -13.108 1.00 0.00 O ATOM 1058 CG2 THR C 28 -1.061 1.471 -13.462 1.00 0.00 C ATOM 0 H THR C 28 -2.284 5.620 -12.843 1.00 0.00 H new ATOM 0 HA THR C 28 -1.850 3.208 -11.460 1.00 0.00 H new ATOM 0 HB THR C 28 -2.271 2.940 -14.449 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.786 2.358 -12.315 1.00 0.00 H new ATOM 0 HG21 THR C 28 -1.317 0.675 -14.162 1.00 0.00 H new ATOM 0 HG22 THR C 28 -0.125 1.937 -13.769 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.947 1.052 -12.462 1.00 0.00 H new ATOM 1066 N ARG C 29 0.459 4.297 -11.868 1.00 0.00 N ATOM 1067 CA ARG C 29 1.776 4.842 -12.149 1.00 0.00 C ATOM 1068 C ARG C 29 2.858 3.973 -11.541 1.00 0.00 C ATOM 1069 O ARG C 29 2.566 3.089 -10.749 1.00 0.00 O ATOM 1070 CB ARG C 29 1.903 6.261 -11.598 1.00 0.00 C ATOM 1071 CG ARG C 29 0.940 7.250 -12.198 1.00 0.00 C ATOM 1072 CD ARG C 29 1.053 8.599 -11.512 1.00 0.00 C ATOM 1073 NE ARG C 29 0.123 9.588 -12.054 1.00 0.00 N ATOM 1074 CZ ARG C 29 0.329 10.904 -11.992 1.00 0.00 C ATOM 1075 NH1 ARG C 29 1.456 11.376 -11.470 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -0.581 11.745 -12.466 1.00 0.00 N ATOM 0 H ARG C 29 0.291 4.055 -10.891 1.00 0.00 H new ATOM 0 HA ARG C 29 1.900 4.864 -13.232 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.751 6.234 -10.519 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.920 6.614 -11.768 1.00 0.00 H new ATOM 0 HG2 ARG C 29 1.143 7.361 -13.263 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.079 6.874 -12.105 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.865 8.476 -10.445 1.00 0.00 H new ATOM 0 HD3 ARG C 29 2.073 8.970 -11.616 1.00 0.00 H new ATOM 0 HE ARG C 29 -0.729 9.254 -12.504 1.00 0.00 H new ATOM 0 HH11 ARG C 29 2.163 10.732 -11.117 1.00 0.00 H new ATOM 0 HH12 ARG C 29 1.614 12.383 -11.423 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -1.441 11.386 -12.879 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -0.420 12.751 -12.417 1.00 0.00 H new ATOM 1090 N THR C 30 4.101 4.217 -11.921 1.00 0.00 N ATOM 1091 CA THR C 30 5.206 3.502 -11.387 1.00 0.00 C ATOM 1092 C THR C 30 6.045 4.373 -10.455 1.00 0.00 C ATOM 1093 O THR C 30 6.161 5.577 -10.673 1.00 0.00 O ATOM 1094 CB THR C 30 6.089 3.041 -12.521 1.00 0.00 C ATOM 1095 OG1 THR C 30 6.157 4.049 -13.542 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.628 1.729 -13.113 1.00 0.00 C ATOM 0 H THR C 30 4.354 4.923 -12.612 1.00 0.00 H new ATOM 0 HA THR C 30 4.814 2.658 -10.819 1.00 0.00 H new ATOM 0 HB THR C 30 7.084 2.877 -12.106 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.734 3.738 -14.271 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.296 1.441 -13.925 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.640 0.958 -12.343 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.615 1.840 -13.499 1.00 0.00 H new ATOM 1104 N PHE C 31 6.653 3.761 -9.438 1.00 0.00 N ATOM 1105 CA PHE C 31 7.488 4.491 -8.490 1.00 0.00 C ATOM 1106 C PHE C 31 8.709 3.690 -8.145 1.00 0.00 C ATOM 1107 O PHE C 31 8.887 3.250 -7.014 1.00 0.00 O ATOM 1108 CB PHE C 31 6.732 4.792 -7.223 1.00 0.00 C ATOM 1109 CG PHE C 31 5.550 5.631 -7.458 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.717 6.840 -8.073 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.296 5.232 -7.062 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.641 7.664 -8.294 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.214 6.035 -7.280 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.377 7.261 -7.902 1.00 0.00 C ATOM 0 H PHE C 31 6.581 2.761 -9.252 1.00 0.00 H new ATOM 0 HA PHE C 31 7.781 5.428 -8.964 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.422 3.856 -6.758 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.395 5.294 -6.519 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.703 7.150 -8.388 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.166 4.277 -6.575 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.781 8.622 -8.772 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.231 5.714 -6.967 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.523 7.898 -8.080 1.00 0.00 H new ATOM 1124 N ILE C 32 9.526 3.489 -9.137 1.00 0.00 N ATOM 1125 CA ILE C 32 10.704 2.676 -9.005 1.00 0.00 C ATOM 1126 C ILE C 32 11.616 3.108 -7.894 1.00 0.00 C ATOM 1127 O ILE C 32 12.162 4.211 -7.860 1.00 0.00 O ATOM 1128 CB ILE C 32 11.450 2.587 -10.313 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.587 1.859 -11.230 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.678 1.768 -10.160 1.00 0.00 C ATOM 1131 CD1 ILE C 32 10.032 2.636 -12.392 1.00 0.00 C ATOM 0 H ILE C 32 9.395 3.886 -10.067 1.00 0.00 H new ATOM 0 HA ILE C 32 10.350 1.682 -8.731 1.00 0.00 H new ATOM 0 HB ILE C 32 11.712 3.588 -10.655 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.147 1.011 -11.624 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.751 1.453 -10.661 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.202 1.716 -11.114 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.328 2.224 -9.413 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.407 0.762 -9.840 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.406 1.983 -13.000 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.435 3.469 -12.021 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.853 3.020 -12.998 1.00 0.00 H new ATOM 1143 N VAL C 33 11.748 2.173 -6.999 1.00 0.00 N ATOM 1144 CA VAL C 33 12.531 2.327 -5.793 1.00 0.00 C ATOM 1145 C VAL C 33 13.352 1.104 -5.520 1.00 0.00 C ATOM 1146 O VAL C 33 13.415 0.181 -6.325 1.00 0.00 O ATOM 1147 CB VAL C 33 11.640 2.567 -4.570 1.00 0.00 C ATOM 1148 CG1 VAL C 33 10.984 3.899 -4.701 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.604 1.461 -4.424 1.00 0.00 C ATOM 0 H VAL C 33 11.306 1.258 -7.083 1.00 0.00 H new ATOM 0 HA VAL C 33 13.178 3.189 -5.958 1.00 0.00 H new ATOM 0 HB VAL C 33 12.254 2.555 -3.670 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.348 4.078 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL C 33 11.746 4.676 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.378 3.918 -5.607 1.00 0.00 H new ATOM 0 HG21 VAL C 33 9.985 1.656 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL C 33 9.975 1.432 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.109 0.503 -4.305 1.00 0.00 H new ATOM 1159 N GLY C 34 13.957 1.100 -4.362 1.00 0.00 N ATOM 1160 CA GLY C 34 14.749 -0.033 -3.954 1.00 0.00 C ATOM 1161 C GLY C 34 13.973 -0.933 -3.024 1.00 0.00 C ATOM 1162 O GLY C 34 13.030 -0.483 -2.371 1.00 0.00 O ATOM 0 H GLY C 34 13.918 1.863 -3.687 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.062 -0.597 -4.833 1.00 0.00 H new ATOM 0 HA3 GLY C 34 15.655 0.313 -3.457 1.00 0.00 H new ATOM 1166 N ALA C 35 14.376 -2.192 -2.951 1.00 0.00 N ATOM 1167 CA ALA C 35 13.631 -3.207 -2.215 1.00 0.00 C ATOM 1168 C ALA C 35 13.562 -2.907 -0.718 1.00 0.00 C ATOM 1169 O ALA C 35 12.735 -3.464 0.003 1.00 0.00 O ATOM 1170 CB ALA C 35 14.262 -4.548 -2.435 1.00 0.00 C ATOM 0 H ALA C 35 15.225 -2.540 -3.397 1.00 0.00 H new ATOM 0 HA ALA C 35 12.609 -3.204 -2.593 1.00 0.00 H new ATOM 0 HB1 ALA C 35 13.705 -5.307 -1.885 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.247 -4.787 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.293 -4.527 -2.082 1.00 0.00 H new ATOM 1176 N GLN C 36 14.456 -2.054 -0.248 1.00 0.00 N ATOM 1177 CA GLN C 36 14.440 -1.618 1.139 1.00 0.00 C ATOM 1178 C GLN C 36 14.946 -0.193 1.231 1.00 0.00 C ATOM 1179 O GLN C 36 15.404 0.252 2.286 1.00 0.00 O ATOM 1180 CB GLN C 36 15.293 -2.552 1.998 1.00 0.00 C ATOM 1181 CG GLN C 36 16.752 -2.607 1.572 1.00 0.00 C ATOM 1182 CD GLN C 36 17.331 -4.002 1.653 1.00 0.00 C ATOM 1183 OE1 GLN C 36 16.825 -4.809 2.566 1.00 0.00 O flip ATOM 1184 NE2 GLN C 36 18.230 -4.355 0.890 1.00 0.00 N flip ATOM 0 H GLN C 36 15.205 -1.648 -0.809 1.00 0.00 H new ATOM 0 HA GLN C 36 13.417 -1.652 1.514 1.00 0.00 H new ATOM 0 HB2 GLN C 36 15.238 -2.227 3.037 1.00 0.00 H new ATOM 0 HB3 GLN C 36 14.872 -3.557 1.955 1.00 0.00 H new ATOM 0 HG2 GLN C 36 16.842 -2.239 0.550 1.00 0.00 H new ATOM 0 HG3 GLN C 36 17.336 -1.938 2.204 1.00 0.00 H new ATOM 0 HE21 GLN C 36 18.596 -3.703 0.197 1.00 0.00 H new ATOM 0 HE22 GLN C 36 18.609 -5.300 0.951 1.00 0.00 H new ATOM 1193 N MET C 37 14.850 0.510 0.110 1.00 0.00 N ATOM 1194 CA MET C 37 15.337 1.877 0.012 1.00 0.00 C ATOM 1195 C MET C 37 14.651 2.808 1.011 1.00 0.00 C ATOM 1196 O MET C 37 15.246 3.186 2.019 1.00 0.00 O ATOM 1197 CB MET C 37 15.132 2.389 -1.395 1.00 0.00 C ATOM 1198 CG MET C 37 16.245 3.293 -1.886 1.00 0.00 C ATOM 1199 SD MET C 37 16.301 4.873 -1.021 1.00 0.00 S ATOM 1200 CE MET C 37 17.715 5.639 -1.806 1.00 0.00 C ATOM 0 H MET C 37 14.435 0.151 -0.750 1.00 0.00 H new ATOM 0 HA MET C 37 16.400 1.868 0.255 1.00 0.00 H new ATOM 0 HB2 MET C 37 15.042 1.539 -2.071 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.189 2.933 -1.440 1.00 0.00 H new ATOM 0 HG2 MET C 37 17.201 2.783 -1.763 1.00 0.00 H new ATOM 0 HG3 MET C 37 16.115 3.473 -2.953 1.00 0.00 H new ATOM 0 HE1 MET C 37 18.054 6.482 -1.203 1.00 0.00 H new ATOM 0 HE2 MET C 37 18.521 4.910 -1.896 1.00 0.00 H new ATOM 0 HE3 MET C 37 17.433 5.992 -2.798 1.00 0.00 H new ATOM 1210 N ASN C 38 13.408 3.184 0.734 1.00 0.00 N ATOM 1211 CA ASN C 38 12.704 4.137 1.567 1.00 0.00 C ATOM 1212 C ASN C 38 11.348 3.638 1.985 1.00 0.00 C ATOM 1213 O ASN C 38 11.225 2.958 2.990 1.00 0.00 O ATOM 1214 CB ASN C 38 12.541 5.466 0.836 1.00 0.00 C ATOM 1215 CG ASN C 38 13.793 6.299 0.761 1.00 0.00 C ATOM 1216 OD1 ASN C 38 14.673 6.141 1.718 1.00 0.00 O flip ATOM 1217 ND2 ASN C 38 13.966 7.084 -0.166 1.00 0.00 N flip ATOM 0 H ASN C 38 12.871 2.840 -0.062 1.00 0.00 H new ATOM 0 HA ASN C 38 13.308 4.274 2.464 1.00 0.00 H new ATOM 0 HB2 ASN C 38 12.191 5.268 -0.177 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.764 6.046 1.334 1.00 0.00 H new ATOM 0 HD21 ASN C 38 13.257 7.179 -0.893 1.00 0.00 H new ATOM 0 HD22 ASN C 38 14.819 7.642 -0.210 1.00 0.00 H new ATOM 1224 N VAL C 39 10.358 3.988 1.178 1.00 0.00 N ATOM 1225 CA VAL C 39 8.939 3.866 1.502 1.00 0.00 C ATOM 1226 C VAL C 39 8.442 5.030 2.345 1.00 0.00 C ATOM 1227 O VAL C 39 7.282 5.407 2.268 1.00 0.00 O ATOM 1228 CB VAL C 39 8.531 2.531 2.117 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.517 2.663 3.583 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.165 2.142 1.622 1.00 0.00 C ATOM 0 H VAL C 39 10.522 4.377 0.250 1.00 0.00 H new ATOM 0 HA VAL C 39 8.442 3.901 0.533 1.00 0.00 H new ATOM 0 HB VAL C 39 9.243 1.758 1.828 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.226 1.713 4.031 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.511 2.940 3.933 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.803 3.434 3.872 1.00 0.00 H new ATOM 0 HG21 VAL C 39 6.876 1.188 2.063 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.443 2.907 1.908 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.184 2.049 0.536 1.00 0.00 H new ATOM 1240 N LYS C 40 9.328 5.611 3.117 1.00 0.00 N ATOM 1241 CA LYS C 40 9.031 6.789 3.873 1.00 0.00 C ATOM 1242 C LYS C 40 9.135 7.986 2.966 1.00 0.00 C ATOM 1243 O LYS C 40 8.153 8.628 2.604 1.00 0.00 O ATOM 1244 CB LYS C 40 10.035 6.915 5.013 1.00 0.00 C ATOM 1245 CG LYS C 40 10.521 5.596 5.561 1.00 0.00 C ATOM 1246 CD LYS C 40 11.888 5.232 4.999 1.00 0.00 C ATOM 1247 CE LYS C 40 13.010 5.613 5.959 1.00 0.00 C ATOM 1248 NZ LYS C 40 13.114 7.083 6.173 1.00 0.00 N ATOM 0 H LYS C 40 10.282 5.271 3.235 1.00 0.00 H new ATOM 0 HA LYS C 40 8.024 6.730 4.285 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.894 7.488 4.664 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.579 7.485 5.822 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.575 5.650 6.648 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.804 4.812 5.316 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.927 4.161 4.800 1.00 0.00 H new ATOM 0 HD3 LYS C 40 12.037 5.739 4.045 1.00 0.00 H new ATOM 0 HE2 LYS C 40 12.844 5.122 6.918 1.00 0.00 H new ATOM 0 HE3 LYS C 40 13.957 5.239 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.892 7.284 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 13.301 7.554 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 12.222 7.440 6.571 1.00 0.00 H new ATOM 1262 N GLU C 41 10.358 8.243 2.589 1.00 0.00 N ATOM 1263 CA GLU C 41 10.690 9.260 1.639 1.00 0.00 C ATOM 1264 C GLU C 41 10.073 8.972 0.274 1.00 0.00 C ATOM 1265 O GLU C 41 9.768 9.881 -0.498 1.00 0.00 O ATOM 1266 CB GLU C 41 12.198 9.324 1.545 1.00 0.00 C ATOM 1267 CG GLU C 41 12.857 9.784 2.831 1.00 0.00 C ATOM 1268 CD GLU C 41 14.366 9.808 2.746 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.922 10.773 2.182 1.00 0.00 O ATOM 1270 OE2 GLU C 41 15.006 8.865 3.255 1.00 0.00 O ATOM 0 H GLU C 41 11.168 7.736 2.945 1.00 0.00 H new ATOM 0 HA GLU C 41 10.287 10.218 1.967 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.581 8.339 1.280 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.477 10.002 0.738 1.00 0.00 H new ATOM 0 HG2 GLU C 41 12.497 10.782 3.080 1.00 0.00 H new ATOM 0 HG3 GLU C 41 12.555 9.124 3.644 1.00 0.00 H new ATOM 1277 N PHE C 42 9.905 7.692 -0.007 1.00 0.00 N ATOM 1278 CA PHE C 42 9.260 7.224 -1.206 1.00 0.00 C ATOM 1279 C PHE C 42 7.808 7.702 -1.245 1.00 0.00 C ATOM 1280 O PHE C 42 7.388 8.348 -2.205 1.00 0.00 O ATOM 1281 CB PHE C 42 9.378 5.697 -1.181 1.00 0.00 C ATOM 1282 CG PHE C 42 8.477 4.920 -2.089 1.00 0.00 C ATOM 1283 CD1 PHE C 42 7.819 5.506 -3.148 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.282 3.580 -1.845 1.00 0.00 C ATOM 1285 CE1 PHE C 42 6.972 4.768 -3.945 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.444 2.830 -2.638 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.783 3.426 -3.687 1.00 0.00 C ATOM 0 H PHE C 42 10.221 6.941 0.607 1.00 0.00 H new ATOM 0 HA PHE C 42 9.726 7.618 -2.109 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.408 5.435 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.196 5.362 -0.160 1.00 0.00 H new ATOM 0 HD1 PHE C 42 7.969 6.555 -3.356 1.00 0.00 H new ATOM 0 HD2 PHE C 42 8.794 3.110 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE C 42 6.457 5.239 -4.770 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.306 1.778 -2.438 1.00 0.00 H new ATOM 0 HZ PHE C 42 6.117 2.844 -4.307 1.00 0.00 H new ATOM 1297 N LYS C 43 7.058 7.430 -0.186 1.00 0.00 N ATOM 1298 CA LYS C 43 5.654 7.809 -0.149 1.00 0.00 C ATOM 1299 C LYS C 43 5.521 9.328 -0.110 1.00 0.00 C ATOM 1300 O LYS C 43 4.596 9.901 -0.682 1.00 0.00 O ATOM 1301 CB LYS C 43 4.949 7.158 1.044 1.00 0.00 C ATOM 1302 CG LYS C 43 5.310 7.766 2.385 1.00 0.00 C ATOM 1303 CD LYS C 43 4.839 6.908 3.543 1.00 0.00 C ATOM 1304 CE LYS C 43 3.324 6.804 3.607 1.00 0.00 C ATOM 1305 NZ LYS C 43 2.819 7.025 4.990 1.00 0.00 N ATOM 0 H LYS C 43 7.394 6.953 0.651 1.00 0.00 H new ATOM 0 HA LYS C 43 5.168 7.448 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS C 43 3.871 7.235 0.901 1.00 0.00 H new ATOM 0 HB3 LYS C 43 5.194 6.096 1.061 1.00 0.00 H new ATOM 0 HG2 LYS C 43 6.391 7.895 2.445 1.00 0.00 H new ATOM 0 HG3 LYS C 43 4.866 8.758 2.465 1.00 0.00 H new ATOM 0 HD2 LYS C 43 5.266 5.909 3.449 1.00 0.00 H new ATOM 0 HD3 LYS C 43 5.212 7.327 4.478 1.00 0.00 H new ATOM 0 HE2 LYS C 43 2.879 7.538 2.935 1.00 0.00 H new ATOM 0 HE3 LYS C 43 3.011 5.820 3.257 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 1.924 6.511 5.119 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 3.520 6.677 5.675 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 2.660 8.041 5.143 1.00 0.00 H new ATOM 1319 N GLU C 44 6.470 9.971 0.557 1.00 0.00 N ATOM 1320 CA GLU C 44 6.536 11.410 0.613 1.00 0.00 C ATOM 1321 C GLU C 44 6.671 11.999 -0.792 1.00 0.00 C ATOM 1322 O GLU C 44 6.103 13.045 -1.097 1.00 0.00 O ATOM 1323 CB GLU C 44 7.721 11.806 1.472 1.00 0.00 C ATOM 1324 CG GLU C 44 7.558 13.146 2.139 1.00 0.00 C ATOM 1325 CD GLU C 44 8.764 13.527 2.968 1.00 0.00 C ATOM 1326 OE1 GLU C 44 9.812 13.868 2.378 1.00 0.00 O ATOM 1327 OE2 GLU C 44 8.672 13.485 4.210 1.00 0.00 O ATOM 0 H GLU C 44 7.214 9.501 1.073 1.00 0.00 H new ATOM 0 HA GLU C 44 5.617 11.802 1.049 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.876 11.045 2.237 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.618 11.824 0.853 1.00 0.00 H new ATOM 0 HG2 GLU C 44 7.387 13.909 1.379 1.00 0.00 H new ATOM 0 HG3 GLU C 44 6.674 13.127 2.776 1.00 0.00 H new ATOM 1334 N HIS C 45 7.423 11.311 -1.644 1.00 0.00 N ATOM 1335 CA HIS C 45 7.639 11.742 -3.013 1.00 0.00 C ATOM 1336 C HIS C 45 6.376 11.609 -3.858 1.00 0.00 C ATOM 1337 O HIS C 45 6.067 12.486 -4.660 1.00 0.00 O ATOM 1338 CB HIS C 45 8.773 10.934 -3.636 1.00 0.00 C ATOM 1339 CG HIS C 45 10.112 11.593 -3.533 1.00 0.00 C ATOM 1340 ND1 HIS C 45 11.018 11.307 -2.536 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.699 12.527 -4.315 1.00 0.00 C ATOM 1342 CE1 HIS C 45 12.102 12.039 -2.706 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.936 12.788 -3.778 1.00 0.00 N ATOM 0 H HIS C 45 7.897 10.441 -1.402 1.00 0.00 H new ATOM 0 HA HIS C 45 7.909 12.798 -2.991 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.820 9.959 -3.152 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.546 10.757 -4.687 1.00 0.00 H new ATOM 0 HD1 HIS C 45 10.873 10.634 -1.783 1.00 0.00 H new ATOM 0 HD2 HIS C 45 10.274 12.983 -5.197 1.00 0.00 H new ATOM 0 HE1 HIS C 45 12.978 12.027 -2.074 1.00 0.00 H new ATOM 1352 N ILE C 46 5.642 10.519 -3.672 1.00 0.00 N ATOM 1353 CA ILE C 46 4.482 10.240 -4.497 1.00 0.00 C ATOM 1354 C ILE C 46 3.251 11.007 -4.026 1.00 0.00 C ATOM 1355 O ILE C 46 2.221 10.989 -4.695 1.00 0.00 O ATOM 1356 CB ILE C 46 4.160 8.737 -4.503 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.552 8.310 -3.170 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.416 7.935 -4.789 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.066 6.879 -3.155 1.00 0.00 C ATOM 0 H ILE C 46 5.832 9.817 -2.957 1.00 0.00 H new ATOM 0 HA ILE C 46 4.733 10.566 -5.506 1.00 0.00 H new ATOM 0 HB ILE C 46 3.431 8.544 -5.290 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.295 8.440 -2.383 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.718 8.970 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.176 6.872 -4.791 1.00 0.00 H new ATOM 0 HG22 ILE C 46 5.815 8.219 -5.763 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.160 8.138 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.647 6.647 -2.176 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.299 6.747 -3.918 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.901 6.209 -3.360 1.00 0.00 H new ATOM 1371 N ALA C 47 3.368 11.671 -2.873 1.00 0.00 N ATOM 1372 CA ALA C 47 2.278 12.447 -2.295 1.00 0.00 C ATOM 1373 C ALA C 47 1.508 13.248 -3.341 1.00 0.00 C ATOM 1374 O ALA C 47 0.313 13.040 -3.527 1.00 0.00 O ATOM 1375 CB ALA C 47 2.824 13.379 -1.228 1.00 0.00 C ATOM 0 H ALA C 47 4.223 11.683 -2.317 1.00 0.00 H new ATOM 0 HA ALA C 47 1.575 11.740 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA C 47 2.007 13.958 -0.798 1.00 0.00 H new ATOM 0 HB2 ALA C 47 3.305 12.793 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.552 14.056 -1.674 1.00 0.00 H new ATOM 1381 N ALA C 48 2.185 14.136 -4.042 1.00 0.00 N ATOM 1382 CA ALA C 48 1.516 14.976 -5.025 1.00 0.00 C ATOM 1383 C ALA C 48 1.091 14.184 -6.250 1.00 0.00 C ATOM 1384 O ALA C 48 0.047 14.458 -6.844 1.00 0.00 O ATOM 1385 CB ALA C 48 2.408 16.110 -5.450 1.00 0.00 C ATOM 0 H ALA C 48 3.188 14.296 -3.953 1.00 0.00 H new ATOM 0 HA ALA C 48 0.621 15.374 -4.546 1.00 0.00 H new ATOM 0 HB1 ALA C 48 1.889 16.725 -6.185 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.662 16.718 -4.582 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.320 15.709 -5.892 1.00 0.00 H new ATOM 1391 N SER C 49 1.894 13.198 -6.618 1.00 0.00 N ATOM 1392 CA SER C 49 1.646 12.422 -7.819 1.00 0.00 C ATOM 1393 C SER C 49 0.352 11.621 -7.703 1.00 0.00 C ATOM 1394 O SER C 49 -0.305 11.334 -8.702 1.00 0.00 O ATOM 1395 CB SER C 49 2.819 11.508 -8.094 1.00 0.00 C ATOM 1396 OG SER C 49 3.887 11.755 -7.190 1.00 0.00 O ATOM 0 H SER C 49 2.726 12.917 -6.099 1.00 0.00 H new ATOM 0 HA SER C 49 1.532 13.111 -8.656 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.501 10.469 -8.010 1.00 0.00 H new ATOM 0 HB3 SER C 49 3.165 11.654 -9.117 1.00 0.00 H new ATOM 0 HG SER C 49 4.689 11.280 -7.494 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.011 11.270 -6.478 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.266 10.577 -6.224 1.00 0.00 C ATOM 1404 C VAL C 50 -2.288 11.510 -5.584 1.00 0.00 C ATOM 1405 O VAL C 50 -3.426 11.109 -5.339 1.00 0.00 O ATOM 1406 CB VAL C 50 -1.059 9.329 -5.337 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.194 8.305 -6.058 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.439 9.705 -4.000 1.00 0.00 C ATOM 0 H VAL C 50 0.546 11.454 -5.644 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.650 10.247 -7.189 1.00 0.00 H new ATOM 0 HB VAL C 50 -2.035 8.886 -5.141 1.00 0.00 H new ATOM 0 HG11 VAL C 50 -0.057 7.431 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -0.682 8.005 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.777 8.745 -6.285 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.305 8.808 -3.396 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.529 10.178 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -1.096 10.399 -3.477 1.00 0.00 H new ATOM 1418 N SER C 51 -1.868 12.756 -5.312 1.00 0.00 N ATOM 1419 CA SER C 51 -2.739 13.772 -4.733 1.00 0.00 C ATOM 1420 C SER C 51 -3.059 13.408 -3.293 1.00 0.00 C ATOM 1421 O SER C 51 -4.018 13.906 -2.700 1.00 0.00 O ATOM 1422 CB SER C 51 -4.022 13.939 -5.552 1.00 0.00 C ATOM 1423 OG SER C 51 -3.726 14.237 -6.909 1.00 0.00 O ATOM 0 H SER C 51 -0.917 13.079 -5.489 1.00 0.00 H new ATOM 0 HA SER C 51 -2.217 14.729 -4.751 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.614 13.025 -5.498 1.00 0.00 H new ATOM 0 HB3 SER C 51 -4.629 14.737 -5.125 1.00 0.00 H new ATOM 0 HG SER C 51 -4.561 14.337 -7.412 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.223 12.549 -2.735 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.390 12.092 -1.379 1.00 0.00 C ATOM 1431 C ILE C 52 -1.101 12.289 -0.597 1.00 0.00 C ATOM 1432 O ILE C 52 -0.091 11.669 -0.910 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.745 10.596 -1.302 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.948 10.251 -2.185 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -3.020 10.233 0.150 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.276 10.589 -1.547 1.00 0.00 C ATOM 0 H ILE C 52 -1.414 12.154 -3.213 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.208 12.678 -0.959 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.903 10.014 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.861 10.786 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.925 9.186 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.273 9.175 0.219 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.132 10.434 0.750 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.852 10.830 0.523 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.085 10.319 -2.226 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.384 10.034 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.318 11.658 -1.339 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.113 13.119 0.447 1.00 0.00 N ATOM 1449 CA PRO C 53 0.076 13.354 1.247 1.00 0.00 C ATOM 1450 C PRO C 53 0.466 12.126 2.049 1.00 0.00 C ATOM 1451 O PRO C 53 -0.377 11.315 2.435 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.299 14.489 2.177 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.677 14.931 1.805 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.278 13.853 0.953 1.00 0.00 C ATOM 0 HA PRO C 53 0.935 13.589 0.619 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.268 14.161 3.216 1.00 0.00 H new ATOM 0 HB3 PRO C 53 0.408 15.313 2.082 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.281 15.097 2.697 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -1.644 15.876 1.262 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -2.938 13.207 1.532 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -2.873 14.270 0.140 1.00 0.00 H new ATOM 1462 N SER C 54 1.764 12.009 2.278 1.00 0.00 N ATOM 1463 CA SER C 54 2.373 10.873 2.963 1.00 0.00 C ATOM 1464 C SER C 54 1.735 10.609 4.324 1.00 0.00 C ATOM 1465 O SER C 54 1.751 9.480 4.811 1.00 0.00 O ATOM 1466 CB SER C 54 3.876 11.116 3.113 1.00 0.00 C ATOM 1467 OG SER C 54 4.135 12.377 3.705 1.00 0.00 O ATOM 0 H SER C 54 2.441 12.715 1.988 1.00 0.00 H new ATOM 0 HA SER C 54 2.202 9.983 2.357 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.315 10.327 3.724 1.00 0.00 H new ATOM 0 HB3 SER C 54 4.355 11.065 2.135 1.00 0.00 H new ATOM 0 HG SER C 54 5.040 12.382 4.080 1.00 0.00 H new ATOM 1473 N GLU C 55 1.162 11.645 4.925 1.00 0.00 N ATOM 1474 CA GLU C 55 0.528 11.511 6.231 1.00 0.00 C ATOM 1475 C GLU C 55 -0.871 10.901 6.125 1.00 0.00 C ATOM 1476 O GLU C 55 -1.456 10.499 7.131 1.00 0.00 O ATOM 1477 CB GLU C 55 0.449 12.860 6.925 1.00 0.00 C ATOM 1478 CG GLU C 55 -0.266 13.884 6.107 1.00 0.00 C ATOM 1479 CD GLU C 55 -0.466 15.189 6.843 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -1.312 15.230 7.762 1.00 0.00 O ATOM 1481 OE2 GLU C 55 0.217 16.177 6.514 1.00 0.00 O ATOM 0 H GLU C 55 1.123 12.585 4.530 1.00 0.00 H new ATOM 0 HA GLU C 55 1.146 10.835 6.822 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -0.061 12.743 7.881 1.00 0.00 H new ATOM 0 HB3 GLU C 55 1.457 13.213 7.142 1.00 0.00 H new ATOM 0 HG2 GLU C 55 0.298 14.071 5.193 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -1.237 13.489 5.807 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.409 10.848 4.911 1.00 0.00 N ATOM 1489 CA LYS C 56 -2.748 10.313 4.696 1.00 0.00 C ATOM 1490 C LYS C 56 -2.727 9.057 3.833 1.00 0.00 C ATOM 1491 O LYS C 56 -3.549 8.161 4.016 1.00 0.00 O ATOM 1492 CB LYS C 56 -3.645 11.354 4.020 1.00 0.00 C ATOM 1493 CG LYS C 56 -3.956 12.567 4.883 1.00 0.00 C ATOM 1494 CD LYS C 56 -4.899 13.529 4.171 1.00 0.00 C ATOM 1495 CE LYS C 56 -5.286 14.704 5.059 1.00 0.00 C ATOM 1496 NZ LYS C 56 -6.091 14.279 6.236 1.00 0.00 N ATOM 0 H LYS C 56 -0.940 11.168 4.064 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.144 10.059 5.679 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.163 11.690 3.102 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.582 10.877 3.733 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -4.406 12.242 5.821 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -3.030 13.083 5.135 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.422 13.901 3.264 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -5.798 12.995 3.863 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -4.384 15.210 5.402 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -5.855 15.427 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -6.231 15.090 6.872 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -7.016 13.927 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -5.590 13.522 6.744 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.790 8.989 2.894 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.777 7.898 1.928 1.00 0.00 C ATOM 1512 C GLN C 57 -1.515 6.564 2.585 1.00 0.00 C ATOM 1513 O GLN C 57 -0.573 6.393 3.367 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.751 8.121 0.821 1.00 0.00 C ATOM 1515 CG GLN C 57 0.629 8.453 1.324 1.00 0.00 C ATOM 1516 CD GLN C 57 1.643 8.475 0.210 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.263 7.461 -0.087 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.798 9.618 -0.431 1.00 0.00 N ATOM 0 H GLN C 57 -1.038 9.668 2.782 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.773 7.885 1.485 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.696 7.224 0.204 1.00 0.00 H new ATOM 0 HB3 GLN C 57 -1.096 8.930 0.177 1.00 0.00 H new ATOM 0 HG2 GLN C 57 0.611 9.424 1.818 1.00 0.00 H new ATOM 0 HG3 GLN C 57 0.928 7.720 2.073 1.00 0.00 H new ATOM 0 HE21 GLN C 57 1.260 10.438 -0.149 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.455 9.682 -1.208 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.371 5.630 2.262 1.00 0.00 N ATOM 1528 CA ARG C 58 -2.197 4.252 2.694 1.00 0.00 C ATOM 1529 C ARG C 58 -1.977 3.354 1.479 1.00 0.00 C ATOM 1530 O ARG C 58 -2.851 3.238 0.623 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.414 3.778 3.498 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.716 4.624 4.732 1.00 0.00 C ATOM 1533 CD ARG C 58 -2.572 4.597 5.740 1.00 0.00 C ATOM 1534 NE ARG C 58 -2.834 5.467 6.890 1.00 0.00 N ATOM 1535 CZ ARG C 58 -1.970 5.684 7.883 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -0.802 5.053 7.905 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -2.286 6.519 8.866 1.00 0.00 N ATOM 0 H ARG C 58 -3.205 5.792 1.697 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.322 4.195 3.341 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.288 3.780 2.847 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.250 2.746 3.810 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -3.906 5.653 4.428 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -4.626 4.259 5.207 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -2.418 3.575 6.086 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -1.650 4.911 5.251 1.00 0.00 H new ATOM 0 HE ARG C 58 -3.738 5.938 6.934 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -0.562 4.399 7.160 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -0.145 5.223 8.667 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -3.189 6.994 8.861 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -1.626 6.686 9.626 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.796 2.745 1.396 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.453 1.857 0.301 1.00 0.00 C ATOM 1553 C LEU C 59 -0.974 0.453 0.575 1.00 0.00 C ATOM 1554 O LEU C 59 -0.441 -0.241 1.408 1.00 0.00 O ATOM 1555 CB LEU C 59 1.055 1.787 0.206 1.00 0.00 C ATOM 1556 CG LEU C 59 1.778 3.116 -0.029 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.198 3.047 0.509 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.800 3.452 -1.512 1.00 0.00 C ATOM 0 H LEU C 59 -0.055 2.857 2.088 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.895 2.234 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.437 1.347 1.127 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.316 1.106 -0.604 1.00 0.00 H new ATOM 0 HG LEU C 59 1.238 3.901 0.501 1.00 0.00 H new ATOM 0 HD11 LEU C 59 3.700 3.999 0.335 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.172 2.841 1.579 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.742 2.252 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.317 4.399 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU C 59 2.321 2.664 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.778 3.534 -1.882 1.00 0.00 H new ATOM 1570 N ILE C 60 -2.017 0.038 -0.095 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.497 -1.326 0.064 1.00 0.00 C ATOM 1572 C ILE C 60 -2.014 -2.225 -1.059 1.00 0.00 C ATOM 1573 O ILE C 60 -2.341 -2.013 -2.229 1.00 0.00 O ATOM 1574 CB ILE C 60 -4.020 -1.403 0.087 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.593 -0.373 1.041 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.467 -2.800 0.492 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -6.073 -0.204 0.873 1.00 0.00 C ATOM 0 H ILE C 60 -2.550 0.610 -0.750 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.096 -1.664 1.020 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.392 -1.189 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.378 -0.672 2.067 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -4.099 0.585 0.878 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.556 -2.844 0.505 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.083 -3.527 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -4.082 -3.031 1.485 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.436 0.544 1.578 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.289 0.122 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.572 -1.154 1.063 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.256 -3.235 -0.700 1.00 0.00 N ATOM 1590 CA TYR C 61 -0.897 -4.271 -1.638 1.00 0.00 C ATOM 1591 C TYR C 61 -1.065 -5.625 -0.965 1.00 0.00 C ATOM 1592 O TYR C 61 -0.606 -5.828 0.159 1.00 0.00 O ATOM 1593 CB TYR C 61 0.522 -4.085 -2.179 1.00 0.00 C ATOM 1594 CG TYR C 61 0.825 -5.086 -3.254 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.177 -5.002 -4.469 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.706 -6.137 -3.045 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.397 -5.923 -5.457 1.00 0.00 C ATOM 1598 CE2 TYR C 61 1.930 -7.077 -4.030 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.273 -6.967 -5.236 1.00 0.00 C ATOM 1600 OH TYR C 61 1.482 -7.911 -6.212 1.00 0.00 O ATOM 0 H TYR C 61 -0.875 -3.361 0.238 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.561 -4.212 -2.501 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.634 -3.076 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.241 -4.190 -1.367 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.517 -4.194 -4.644 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.223 -6.220 -2.100 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.112 -5.834 -6.405 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.616 -7.893 -3.857 1.00 0.00 H new ATOM 0 HH TYR C 61 0.669 -8.010 -6.751 1.00 0.00 H new ATOM 1610 N GLN C 62 -1.764 -6.530 -1.649 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.109 -7.841 -1.095 1.00 0.00 C ATOM 1612 C GLN C 62 -2.989 -7.698 0.148 1.00 0.00 C ATOM 1613 O GLN C 62 -2.889 -8.485 1.090 1.00 0.00 O ATOM 1614 CB GLN C 62 -0.858 -8.644 -0.767 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.053 -9.023 -1.992 1.00 0.00 C ATOM 1616 CD GLN C 62 1.136 -9.876 -1.639 1.00 0.00 C ATOM 1617 OE1 GLN C 62 1.049 -11.103 -1.616 1.00 0.00 O ATOM 1618 NE2 GLN C 62 2.250 -9.237 -1.347 1.00 0.00 N ATOM 0 H GLN C 62 -2.106 -6.378 -2.598 1.00 0.00 H new ATOM 0 HA GLN C 62 -2.673 -8.381 -1.855 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.229 -8.064 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.145 -9.551 -0.235 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -0.691 -9.561 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN C 62 0.286 -8.119 -2.498 1.00 0.00 H new ATOM 0 HE21 GLN C 62 2.277 -8.218 -1.379 1.00 0.00 H new ATOM 0 HE22 GLN C 62 3.086 -9.761 -1.089 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.836 -6.669 0.148 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.732 -6.422 1.270 1.00 0.00 C ATOM 1629 C GLY C 63 -3.989 -5.992 2.520 1.00 0.00 C ATOM 1630 O GLY C 63 -4.586 -5.833 3.587 1.00 0.00 O ATOM 0 H GLY C 63 -3.918 -5.997 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.451 -5.650 0.994 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.302 -7.327 1.482 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.682 -5.816 2.383 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.843 -5.368 3.474 1.00 0.00 C ATOM 1636 C ARG C 64 -1.600 -3.882 3.321 1.00 0.00 C ATOM 1637 O ARG C 64 -1.282 -3.417 2.227 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.500 -6.108 3.475 1.00 0.00 C ATOM 1639 CG ARG C 64 -0.613 -7.625 3.549 1.00 0.00 C ATOM 1640 CD ARG C 64 -1.341 -8.080 4.803 1.00 0.00 C ATOM 1641 NE ARG C 64 -2.609 -8.740 4.495 1.00 0.00 N ATOM 1642 CZ ARG C 64 -3.524 -9.051 5.413 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -3.324 -8.729 6.687 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -4.640 -9.677 5.059 1.00 0.00 N ATOM 0 H ARG C 64 -2.179 -5.981 1.511 1.00 0.00 H new ATOM 0 HA ARG C 64 -2.347 -5.578 4.417 1.00 0.00 H new ATOM 0 HB2 ARG C 64 0.048 -5.841 2.571 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.092 -5.759 4.321 1.00 0.00 H new ATOM 0 HG2 ARG C 64 -1.141 -7.993 2.669 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.384 -8.064 3.529 1.00 0.00 H new ATOM 0 HD2 ARG C 64 -0.704 -8.764 5.363 1.00 0.00 H new ATOM 0 HD3 ARG C 64 -1.528 -7.220 5.446 1.00 0.00 H new ATOM 0 HE ARG C 64 -2.804 -8.976 3.522 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -2.470 -8.244 6.962 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -4.024 -8.967 7.389 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -4.799 -9.922 4.082 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -5.338 -9.913 5.764 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.748 -3.136 4.396 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.625 -1.701 4.314 1.00 0.00 C ATOM 1660 C VAL C 65 -0.173 -1.286 4.551 1.00 0.00 C ATOM 1661 O VAL C 65 0.244 -1.027 5.685 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.551 -1.010 5.329 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -3.103 0.287 4.753 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.680 -1.944 5.745 1.00 0.00 C ATOM 0 H VAL C 65 -1.952 -3.498 5.328 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.926 -1.387 3.315 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.969 -0.765 6.217 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.756 0.762 5.485 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -2.279 0.958 4.513 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.670 0.071 3.848 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -4.325 -1.438 6.463 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -4.263 -2.223 4.868 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -3.261 -2.840 6.202 1.00 0.00 H new ATOM 1674 N LEU C 66 0.588 -1.245 3.463 1.00 0.00 N ATOM 1675 CA LEU C 66 1.991 -0.846 3.481 1.00 0.00 C ATOM 1676 C LEU C 66 2.085 0.637 3.819 1.00 0.00 C ATOM 1677 O LEU C 66 1.146 1.398 3.574 1.00 0.00 O ATOM 1678 CB LEU C 66 2.657 -1.068 2.116 1.00 0.00 C ATOM 1679 CG LEU C 66 1.874 -1.890 1.087 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.553 -1.792 -0.264 1.00 0.00 C ATOM 1681 CD2 LEU C 66 1.746 -3.346 1.512 1.00 0.00 C ATOM 0 H LEU C 66 0.245 -1.490 2.534 1.00 0.00 H new ATOM 0 HA LEU C 66 2.502 -1.455 4.227 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.869 -0.092 1.680 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.616 -1.558 2.282 1.00 0.00 H new ATOM 0 HG LEU C 66 0.866 -1.481 1.019 1.00 0.00 H new ATOM 0 HD11 LEU C 66 1.995 -2.377 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.584 -0.750 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.569 -2.179 -0.189 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.185 -3.897 0.758 1.00 0.00 H new ATOM 0 HD22 LEU C 66 2.739 -3.783 1.617 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.222 -3.402 2.466 1.00 0.00 H new ATOM 1693 N GLN C 67 3.210 1.060 4.364 1.00 0.00 N ATOM 1694 CA GLN C 67 3.370 2.446 4.749 1.00 0.00 C ATOM 1695 C GLN C 67 4.847 2.789 4.928 1.00 0.00 C ATOM 1696 O GLN C 67 5.713 2.014 4.540 1.00 0.00 O ATOM 1697 CB GLN C 67 2.602 2.703 6.041 1.00 0.00 C ATOM 1698 CG GLN C 67 2.997 1.761 7.157 1.00 0.00 C ATOM 1699 CD GLN C 67 1.974 1.722 8.263 1.00 0.00 C ATOM 1700 OE1 GLN C 67 2.038 2.498 9.217 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.016 0.821 8.132 1.00 0.00 N ATOM 0 H GLN C 67 4.020 0.468 4.548 1.00 0.00 H new ATOM 0 HA GLN C 67 2.971 3.084 3.960 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.774 3.731 6.362 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.534 2.603 5.849 1.00 0.00 H new ATOM 0 HG2 GLN C 67 3.129 0.758 6.752 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.959 2.069 7.566 1.00 0.00 H new ATOM 0 HE21 GLN C 67 1.007 0.200 7.323 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.286 0.746 8.840 1.00 0.00 H new ATOM 1710 N ASP C 68 5.112 3.942 5.530 1.00 0.00 N ATOM 1711 CA ASP C 68 6.466 4.415 5.839 1.00 0.00 C ATOM 1712 C ASP C 68 7.245 3.448 6.746 1.00 0.00 C ATOM 1713 O ASP C 68 8.412 3.683 7.058 1.00 0.00 O ATOM 1714 CB ASP C 68 6.387 5.786 6.502 1.00 0.00 C ATOM 1715 CG ASP C 68 5.285 5.852 7.537 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.103 5.977 7.136 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.583 5.761 8.744 1.00 0.00 O ATOM 0 H ASP C 68 4.382 4.590 5.825 1.00 0.00 H new ATOM 0 HA ASP C 68 7.009 4.475 4.896 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.342 6.016 6.974 1.00 0.00 H new ATOM 0 HB3 ASP C 68 6.216 6.547 5.741 1.00 0.00 H new ATOM 1722 N ASP C 69 6.590 2.370 7.160 1.00 0.00 N ATOM 1723 CA ASP C 69 7.154 1.385 8.092 1.00 0.00 C ATOM 1724 C ASP C 69 8.403 0.686 7.528 1.00 0.00 C ATOM 1725 O ASP C 69 9.100 -0.032 8.249 1.00 0.00 O ATOM 1726 CB ASP C 69 6.081 0.352 8.441 1.00 0.00 C ATOM 1727 CG ASP C 69 6.542 -0.687 9.445 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.545 -0.390 10.659 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.884 -1.812 9.025 1.00 0.00 O ATOM 0 H ASP C 69 5.641 2.147 6.858 1.00 0.00 H new ATOM 0 HA ASP C 69 7.471 1.917 8.989 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.208 0.868 8.840 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.764 -0.153 7.528 1.00 0.00 H new ATOM 1734 N LYS C 70 8.678 0.920 6.242 1.00 0.00 N ATOM 1735 CA LYS C 70 9.871 0.403 5.554 1.00 0.00 C ATOM 1736 C LYS C 70 9.724 -1.061 5.157 1.00 0.00 C ATOM 1737 O LYS C 70 8.735 -1.710 5.505 1.00 0.00 O ATOM 1738 CB LYS C 70 11.129 0.590 6.409 1.00 0.00 C ATOM 1739 CG LYS C 70 11.390 2.036 6.782 1.00 0.00 C ATOM 1740 CD LYS C 70 12.713 2.196 7.516 1.00 0.00 C ATOM 1741 CE LYS C 70 12.673 1.560 8.897 1.00 0.00 C ATOM 1742 NZ LYS C 70 11.695 2.232 9.793 1.00 0.00 N ATOM 0 H LYS C 70 8.074 1.480 5.640 1.00 0.00 H new ATOM 0 HA LYS C 70 9.975 0.986 4.639 1.00 0.00 H new ATOM 0 HB2 LYS C 70 11.032 -0.001 7.320 1.00 0.00 H new ATOM 0 HB3 LYS C 70 11.990 0.201 5.866 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.397 2.649 5.881 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.578 2.402 7.410 1.00 0.00 H new ATOM 0 HD2 LYS C 70 13.511 1.741 6.929 1.00 0.00 H new ATOM 0 HD3 LYS C 70 12.950 3.256 7.610 1.00 0.00 H new ATOM 0 HE2 LYS C 70 12.413 0.506 8.803 1.00 0.00 H new ATOM 0 HE3 LYS C 70 13.665 1.605 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 11.873 1.948 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 11.797 3.263 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 10.730 1.956 9.522 1.00 0.00 H new ATOM 1756 N LYS C 71 10.737 -1.560 4.431 1.00 0.00 N ATOM 1757 CA LYS C 71 10.810 -2.956 3.981 1.00 0.00 C ATOM 1758 C LYS C 71 9.917 -3.196 2.759 1.00 0.00 C ATOM 1759 O LYS C 71 8.895 -3.878 2.844 1.00 0.00 O ATOM 1760 CB LYS C 71 10.436 -3.921 5.114 1.00 0.00 C ATOM 1761 CG LYS C 71 11.258 -3.736 6.382 1.00 0.00 C ATOM 1762 CD LYS C 71 10.733 -4.595 7.523 1.00 0.00 C ATOM 1763 CE LYS C 71 9.307 -4.218 7.914 1.00 0.00 C ATOM 1764 NZ LYS C 71 9.198 -2.793 8.324 1.00 0.00 N ATOM 0 H LYS C 71 11.536 -0.998 4.138 1.00 0.00 H new ATOM 0 HA LYS C 71 11.842 -3.151 3.690 1.00 0.00 H new ATOM 0 HB2 LYS C 71 9.381 -3.791 5.355 1.00 0.00 H new ATOM 0 HB3 LYS C 71 10.558 -4.945 4.760 1.00 0.00 H new ATOM 0 HG2 LYS C 71 12.298 -3.993 6.182 1.00 0.00 H new ATOM 0 HG3 LYS C 71 11.240 -2.687 6.678 1.00 0.00 H new ATOM 0 HD2 LYS C 71 10.763 -5.644 7.230 1.00 0.00 H new ATOM 0 HD3 LYS C 71 11.387 -4.487 8.388 1.00 0.00 H new ATOM 0 HE2 LYS C 71 8.639 -4.405 7.073 1.00 0.00 H new ATOM 0 HE3 LYS C 71 8.975 -4.857 8.732 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 8.335 -2.659 8.889 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 10.028 -2.531 8.893 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 9.154 -2.191 7.477 1.00 0.00 H new ATOM 1778 N LEU C 72 10.333 -2.650 1.617 1.00 0.00 N ATOM 1779 CA LEU C 72 9.571 -2.728 0.380 1.00 0.00 C ATOM 1780 C LEU C 72 9.379 -4.164 -0.108 1.00 0.00 C ATOM 1781 O LEU C 72 8.288 -4.541 -0.532 1.00 0.00 O ATOM 1782 CB LEU C 72 10.281 -1.925 -0.695 1.00 0.00 C ATOM 1783 CG LEU C 72 10.205 -0.408 -0.564 1.00 0.00 C ATOM 1784 CD1 LEU C 72 8.771 0.068 -0.696 1.00 0.00 C ATOM 1785 CD2 LEU C 72 10.826 0.099 0.731 1.00 0.00 C ATOM 0 H LEU C 72 11.212 -2.140 1.528 1.00 0.00 H new ATOM 0 HA LEU C 72 8.581 -2.320 0.583 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.331 -2.216 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.866 -2.206 -1.663 1.00 0.00 H new ATOM 0 HG LEU C 72 10.793 0.012 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU C 72 8.738 1.153 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU C 72 8.380 -0.222 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU C 72 8.164 -0.385 0.088 1.00 0.00 H new ATOM 0 HD21 LEU C 72 10.745 1.185 0.773 1.00 0.00 H new ATOM 0 HD22 LEU C 72 10.301 -0.337 1.581 1.00 0.00 H new ATOM 0 HD23 LEU C 72 11.877 -0.188 0.767 1.00 0.00 H new ATOM 1797 N GLN C 73 10.444 -4.960 -0.063 1.00 0.00 N ATOM 1798 CA GLN C 73 10.414 -6.324 -0.540 1.00 0.00 C ATOM 1799 C GLN C 73 9.501 -7.201 0.301 1.00 0.00 C ATOM 1800 O GLN C 73 9.068 -8.260 -0.144 1.00 0.00 O ATOM 1801 CB GLN C 73 11.827 -6.877 -0.542 1.00 0.00 C ATOM 1802 CG GLN C 73 12.647 -6.499 0.685 1.00 0.00 C ATOM 1803 CD GLN C 73 13.995 -7.201 0.760 1.00 0.00 C ATOM 1804 OE1 GLN C 73 14.578 -7.535 -0.384 1.00 0.00 O flip ATOM 1805 NE2 GLN C 73 14.513 -7.442 1.851 1.00 0.00 N flip ATOM 0 H GLN C 73 11.349 -4.670 0.307 1.00 0.00 H new ATOM 0 HA GLN C 73 10.011 -6.327 -1.553 1.00 0.00 H new ATOM 0 HB2 GLN C 73 11.780 -7.964 -0.613 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.343 -6.521 -1.434 1.00 0.00 H new ATOM 0 HG2 GLN C 73 12.808 -5.421 0.685 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.074 -6.736 1.581 1.00 0.00 H new ATOM 0 HE21 GLN C 73 14.038 -7.172 2.712 1.00 0.00 H new ATOM 0 HE22 GLN C 73 15.417 -7.912 1.894 1.00 0.00 H new ATOM 1814 N GLU C 74 9.207 -6.751 1.509 1.00 0.00 N ATOM 1815 CA GLU C 74 8.256 -7.438 2.364 1.00 0.00 C ATOM 1816 C GLU C 74 6.854 -7.265 1.801 1.00 0.00 C ATOM 1817 O GLU C 74 5.982 -8.117 1.987 1.00 0.00 O ATOM 1818 CB GLU C 74 8.327 -6.904 3.793 1.00 0.00 C ATOM 1819 CG GLU C 74 9.675 -7.127 4.461 1.00 0.00 C ATOM 1820 CD GLU C 74 10.045 -8.589 4.584 1.00 0.00 C ATOM 1821 OE1 GLU C 74 9.469 -9.282 5.450 1.00 0.00 O ATOM 1822 OE2 GLU C 74 10.923 -9.049 3.825 1.00 0.00 O ATOM 0 H GLU C 74 9.615 -5.911 1.920 1.00 0.00 H new ATOM 0 HA GLU C 74 8.506 -8.499 2.391 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.108 -5.836 3.784 1.00 0.00 H new ATOM 0 HB3 GLU C 74 7.551 -7.384 4.390 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.446 -6.611 3.889 1.00 0.00 H new ATOM 0 HG3 GLU C 74 9.660 -6.678 5.454 1.00 0.00 H new ATOM 1829 N TYR C 75 6.646 -6.152 1.099 1.00 0.00 N ATOM 1830 CA TYR C 75 5.369 -5.880 0.477 1.00 0.00 C ATOM 1831 C TYR C 75 5.344 -6.516 -0.906 1.00 0.00 C ATOM 1832 O TYR C 75 4.282 -6.814 -1.451 1.00 0.00 O ATOM 1833 CB TYR C 75 5.127 -4.371 0.346 1.00 0.00 C ATOM 1834 CG TYR C 75 5.362 -3.557 1.610 1.00 0.00 C ATOM 1835 CD1 TYR C 75 4.733 -3.873 2.811 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.207 -2.452 1.591 1.00 0.00 C ATOM 1837 CE1 TYR C 75 4.939 -3.116 3.947 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.419 -1.693 2.727 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.782 -2.029 3.900 1.00 0.00 C ATOM 1840 OH TYR C 75 5.976 -1.268 5.029 1.00 0.00 O ATOM 0 H TYR C 75 7.351 -5.429 0.952 1.00 0.00 H new ATOM 0 HA TYR C 75 4.582 -6.300 1.103 1.00 0.00 H new ATOM 0 HB2 TYR C 75 5.775 -3.984 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.099 -4.213 0.019 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.072 -4.726 2.855 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.706 -2.182 0.672 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.441 -3.376 4.869 1.00 0.00 H new ATOM 0 HE2 TYR C 75 7.081 -0.841 2.694 1.00 0.00 H new ATOM 0 HH TYR C 75 6.913 -1.333 5.310 1.00 0.00 H new ATOM 1850 N ASN C 76 6.554 -6.725 -1.449 1.00 0.00 N ATOM 1851 CA ASN C 76 6.757 -7.380 -2.741 1.00 0.00 C ATOM 1852 C ASN C 76 6.074 -6.597 -3.863 1.00 0.00 C ATOM 1853 O ASN C 76 5.426 -7.160 -4.741 1.00 0.00 O ATOM 1854 CB ASN C 76 6.249 -8.826 -2.677 1.00 0.00 C ATOM 1855 CG ASN C 76 6.602 -9.644 -3.897 1.00 0.00 C ATOM 1856 OD1 ASN C 76 5.830 -9.747 -4.851 1.00 0.00 O ATOM 1857 ND2 ASN C 76 7.760 -10.253 -3.867 1.00 0.00 N ATOM 0 H ASN C 76 7.422 -6.440 -0.996 1.00 0.00 H new ATOM 0 HA ASN C 76 7.824 -7.400 -2.964 1.00 0.00 H new ATOM 0 HB2 ASN C 76 6.664 -9.310 -1.793 1.00 0.00 H new ATOM 0 HB3 ASN C 76 5.166 -8.817 -2.557 1.00 0.00 H new ATOM 0 HD21 ASN C 76 8.050 -10.837 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN C 76 8.373 -10.144 -3.059 1.00 0.00 H new ATOM 1864 N VAL C 77 6.222 -5.284 -3.836 1.00 0.00 N ATOM 1865 CA VAL C 77 5.523 -4.449 -4.807 1.00 0.00 C ATOM 1866 C VAL C 77 6.343 -4.182 -6.077 1.00 0.00 C ATOM 1867 O VAL C 77 5.830 -3.581 -7.022 1.00 0.00 O ATOM 1868 CB VAL C 77 5.052 -3.118 -4.191 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.177 -3.388 -2.978 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.232 -2.230 -3.829 1.00 0.00 C ATOM 0 H VAL C 77 6.806 -4.778 -3.170 1.00 0.00 H new ATOM 0 HA VAL C 77 4.647 -5.026 -5.102 1.00 0.00 H new ATOM 0 HB VAL C 77 4.461 -2.583 -4.934 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.848 -2.442 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.307 -3.971 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.747 -3.945 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.867 -1.298 -3.397 1.00 0.00 H new ATOM 0 HG22 VAL C 77 6.865 -2.743 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL C 77 6.811 -2.011 -4.726 1.00 0.00 H new ATOM 1880 N GLY C 78 7.623 -4.581 -6.090 1.00 0.00 N ATOM 1881 CA GLY C 78 8.384 -4.584 -7.316 1.00 0.00 C ATOM 1882 C GLY C 78 7.697 -5.264 -8.454 1.00 0.00 C ATOM 1883 O GLY C 78 7.673 -6.488 -8.586 1.00 0.00 O ATOM 0 H GLY C 78 8.135 -4.900 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.602 -3.554 -7.599 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.341 -5.075 -7.137 1.00 0.00 H new ATOM 1887 N GLY C 79 7.149 -4.414 -9.255 1.00 0.00 N ATOM 1888 CA GLY C 79 6.548 -4.806 -10.520 1.00 0.00 C ATOM 1889 C GLY C 79 5.032 -4.956 -10.486 1.00 0.00 C ATOM 1890 O GLY C 79 4.443 -5.473 -11.437 1.00 0.00 O ATOM 0 H GLY C 79 7.096 -3.414 -9.064 1.00 0.00 H new ATOM 0 HA2 GLY C 79 6.809 -4.065 -11.276 1.00 0.00 H new ATOM 0 HA3 GLY C 79 6.986 -5.753 -10.837 1.00 0.00 H new ATOM 1894 N LYS C 80 4.398 -4.522 -9.407 1.00 0.00 N ATOM 1895 CA LYS C 80 2.939 -4.651 -9.266 1.00 0.00 C ATOM 1896 C LYS C 80 2.312 -3.336 -8.802 1.00 0.00 C ATOM 1897 O LYS C 80 2.944 -2.580 -8.063 1.00 0.00 O ATOM 1898 CB LYS C 80 2.580 -5.746 -8.256 1.00 0.00 C ATOM 1899 CG LYS C 80 3.090 -7.144 -8.593 1.00 0.00 C ATOM 1900 CD LYS C 80 4.542 -7.338 -8.183 1.00 0.00 C ATOM 1901 CE LYS C 80 4.949 -8.800 -8.247 1.00 0.00 C ATOM 1902 NZ LYS C 80 4.290 -9.605 -7.184 1.00 0.00 N ATOM 0 H LYS C 80 4.861 -4.078 -8.614 1.00 0.00 H new ATOM 0 HA LYS C 80 2.546 -4.915 -10.248 1.00 0.00 H new ATOM 0 HB2 LYS C 80 2.974 -5.460 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS C 80 1.495 -5.787 -8.162 1.00 0.00 H new ATOM 0 HG2 LYS C 80 2.470 -7.886 -8.091 1.00 0.00 H new ATOM 0 HG3 LYS C 80 2.990 -7.317 -9.664 1.00 0.00 H new ATOM 0 HD2 LYS C 80 5.187 -6.751 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS C 80 4.688 -6.963 -7.170 1.00 0.00 H new ATOM 0 HE2 LYS C 80 4.689 -9.207 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS C 80 6.031 -8.881 -8.145 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 3.944 -10.498 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 4.975 -9.810 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 3.490 -9.070 -6.790 1.00 0.00 H new ATOM 1916 N VAL C 81 1.065 -3.062 -9.231 1.00 0.00 N ATOM 1917 CA VAL C 81 0.393 -1.823 -8.836 1.00 0.00 C ATOM 1918 C VAL C 81 -0.210 -1.922 -7.433 1.00 0.00 C ATOM 1919 O VAL C 81 -1.018 -2.807 -7.134 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.698 -1.327 -9.821 1.00 0.00 C ATOM 1921 CG1 VAL C 81 -0.170 -0.989 -11.197 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.796 -2.309 -9.966 1.00 0.00 C ATOM 0 H VAL C 81 0.517 -3.672 -9.838 1.00 0.00 H new ATOM 0 HA VAL C 81 1.192 -1.082 -8.851 1.00 0.00 H new ATOM 0 HB VAL C 81 -1.074 -0.409 -9.370 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.991 -0.650 -11.829 1.00 0.00 H new ATOM 0 HG12 VAL C 81 0.576 -0.198 -11.116 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.286 -1.875 -11.639 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.539 -1.923 -10.664 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.396 -3.249 -10.345 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -2.263 -2.478 -8.996 1.00 0.00 H new ATOM 1932 N ILE C 82 0.224 -1.018 -6.572 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.320 -0.885 -5.232 1.00 0.00 C ATOM 1934 C ILE C 82 -1.625 -0.105 -5.280 1.00 0.00 C ATOM 1935 O ILE C 82 -1.883 0.589 -6.236 1.00 0.00 O ATOM 1936 CB ILE C 82 0.671 -0.139 -4.325 1.00 0.00 C ATOM 1937 CG1 ILE C 82 1.983 -0.850 -4.281 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.134 0.040 -2.916 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.043 -0.062 -3.569 1.00 0.00 C ATOM 0 H ILE C 82 0.967 -0.352 -6.784 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.498 -1.883 -4.831 1.00 0.00 H new ATOM 0 HB ILE C 82 0.812 0.852 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.855 -1.811 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.313 -1.059 -5.299 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.869 0.572 -2.312 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.792 0.614 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE C 82 -0.060 -0.937 -2.474 1.00 0.00 H new ATOM 0 HD11 ILE C 82 3.976 -0.626 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.195 0.889 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.729 0.125 -2.542 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.450 -0.213 -4.264 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.691 0.536 -4.240 1.00 0.00 C ATOM 1953 C HIS C 83 -3.696 1.500 -3.056 1.00 0.00 C ATOM 1954 O HIS C 83 -3.700 1.074 -1.909 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.875 -0.427 -4.140 1.00 0.00 C ATOM 1956 CG HIS C 83 -4.952 -1.400 -5.281 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -4.623 -2.734 -5.154 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -5.318 -1.230 -6.575 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -4.779 -3.339 -6.317 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.199 -2.450 -7.193 1.00 0.00 N ATOM 0 H HIS C 83 -2.289 -0.805 -3.449 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.779 1.112 -5.161 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.805 -0.981 -3.204 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.800 0.149 -4.101 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -5.642 -0.308 -7.034 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -4.594 -4.384 -6.516 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -5.403 -2.638 -8.174 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.702 2.791 -3.337 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.629 3.802 -2.279 1.00 0.00 C ATOM 1971 C LEU C 84 -5.015 4.217 -1.789 1.00 0.00 C ATOM 1972 O LEU C 84 -6.011 4.043 -2.495 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.849 5.032 -2.749 1.00 0.00 C ATOM 1974 CG LEU C 84 -1.331 4.853 -2.830 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -0.937 3.970 -4.007 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -0.650 6.206 -2.922 1.00 0.00 C ATOM 0 H LEU C 84 -3.756 3.170 -4.282 1.00 0.00 H new ATOM 0 HA LEU C 84 -3.100 3.347 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -3.217 5.321 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -3.065 5.859 -2.073 1.00 0.00 H new ATOM 0 HG LEU C 84 -0.999 4.353 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU C 84 0.147 3.864 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -1.395 2.987 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.281 4.426 -4.935 1.00 0.00 H new ATOM 0 HD21 LEU C 84 0.430 6.067 -2.979 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -0.996 6.728 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -0.893 6.797 -2.039 1.00 0.00 H new ATOM 1988 N VAL C 85 -5.064 4.744 -0.562 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.315 5.195 0.055 1.00 0.00 C ATOM 1990 C VAL C 85 -6.266 6.692 0.335 1.00 0.00 C ATOM 1991 O VAL C 85 -5.192 7.278 0.476 1.00 0.00 O ATOM 1992 CB VAL C 85 -6.583 4.490 1.402 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -8.029 4.660 1.846 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -6.212 3.025 1.333 1.00 0.00 C ATOM 0 H VAL C 85 -4.242 4.870 0.029 1.00 0.00 H new ATOM 0 HA VAL C 85 -7.108 4.952 -0.653 1.00 0.00 H new ATOM 0 HB VAL C 85 -5.949 4.967 2.149 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -8.180 4.150 2.798 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -8.251 5.721 1.963 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -8.693 4.231 1.096 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -6.411 2.554 2.295 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -6.804 2.536 0.560 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -5.153 2.929 1.094 1.00 0.00 H new ATOM 2004 N GLU C 86 -7.439 7.290 0.427 1.00 0.00 N ATOM 2005 CA GLU C 86 -7.597 8.669 0.700 1.00 0.00 C ATOM 2006 C GLU C 86 -8.258 8.872 2.067 1.00 0.00 C ATOM 2007 O GLU C 86 -9.337 8.344 2.334 1.00 0.00 O ATOM 2008 CB GLU C 86 -8.458 9.256 -0.406 1.00 0.00 C ATOM 2009 CG GLU C 86 -9.896 8.725 -0.503 1.00 0.00 C ATOM 2010 CD GLU C 86 -10.000 7.246 -0.824 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -9.655 6.854 -1.949 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -10.456 6.465 0.042 1.00 0.00 O ATOM 0 H GLU C 86 -8.323 6.796 0.307 1.00 0.00 H new ATOM 0 HA GLU C 86 -6.628 9.167 0.731 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -8.501 10.337 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -7.961 9.075 -1.359 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -10.405 8.915 0.442 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -10.427 9.289 -1.270 1.00 0.00 H new ATOM 2019 N ARG C 87 -7.604 9.601 2.955 1.00 0.00 N ATOM 2020 CA ARG C 87 -8.193 9.906 4.238 1.00 0.00 C ATOM 2021 C ARG C 87 -9.111 11.115 4.167 1.00 0.00 C ATOM 2022 O ARG C 87 -9.239 11.743 3.116 1.00 0.00 O ATOM 2023 CB ARG C 87 -7.110 10.101 5.237 1.00 0.00 C ATOM 2024 CG ARG C 87 -6.238 8.885 5.256 1.00 0.00 C ATOM 2025 CD ARG C 87 -6.708 7.817 6.239 1.00 0.00 C ATOM 2026 NE ARG C 87 -7.984 7.224 5.838 1.00 0.00 N ATOM 2027 CZ ARG C 87 -8.195 5.912 5.699 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -7.235 5.039 5.985 1.00 0.00 N ATOM 2029 NH2 ARG C 87 -9.379 5.479 5.281 1.00 0.00 N ATOM 0 H ARG C 87 -6.672 9.988 2.809 1.00 0.00 H new ATOM 0 HA ARG C 87 -8.817 9.067 4.546 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -6.521 10.983 4.986 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -7.536 10.274 6.225 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -6.203 8.456 4.254 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -5.220 9.181 5.511 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -5.952 7.035 6.313 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -6.809 8.257 7.231 1.00 0.00 H new ATOM 0 HE ARG C 87 -8.764 7.854 5.652 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -6.327 5.369 6.314 1.00 0.00 H new ATOM 0 HH12 ARG C 87 -7.406 4.039 5.876 1.00 0.00 H new ATOM 0 HH21 ARG C 87 -10.120 6.147 5.068 1.00 0.00 H new ATOM 0 HH22 ARG C 87 -9.547 4.479 5.173 1.00 0.00 H new ATOM 2043 N ALA C 88 -9.746 11.432 5.277 1.00 0.00 N ATOM 2044 CA ALA C 88 -10.690 12.538 5.340 1.00 0.00 C ATOM 2045 C ALA C 88 -10.025 13.873 5.004 1.00 0.00 C ATOM 2046 O ALA C 88 -8.805 14.030 5.152 1.00 0.00 O ATOM 2047 CB ALA C 88 -11.319 12.601 6.722 1.00 0.00 C ATOM 0 H ALA C 88 -9.626 10.935 6.159 1.00 0.00 H new ATOM 0 HA ALA C 88 -11.464 12.359 4.593 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -12.025 13.431 6.763 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -11.844 11.668 6.926 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -10.540 12.750 7.470 1.00 0.00 H new ATOM 2053 N PRO C 89 -10.819 14.846 4.523 1.00 0.00 N ATOM 2054 CA PRO C 89 -10.350 16.214 4.276 1.00 0.00 C ATOM 2055 C PRO C 89 -9.819 16.872 5.546 1.00 0.00 C ATOM 2056 O PRO C 89 -10.171 16.460 6.656 1.00 0.00 O ATOM 2057 CB PRO C 89 -11.604 16.948 3.799 1.00 0.00 C ATOM 2058 CG PRO C 89 -12.498 15.880 3.291 1.00 0.00 C ATOM 2059 CD PRO C 89 -12.238 14.686 4.160 1.00 0.00 C ATOM 0 HA PRO C 89 -9.528 16.236 3.561 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -12.072 17.502 4.613 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -11.367 17.670 3.018 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -13.543 16.185 3.347 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -12.286 15.657 2.245 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -12.882 14.679 5.040 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -12.416 13.752 3.627 1.00 0.00 H new ATOM 2067 N PRO C 90 -8.967 17.898 5.406 1.00 0.00 N ATOM 2068 CA PRO C 90 -8.406 18.631 6.548 1.00 0.00 C ATOM 2069 C PRO C 90 -9.425 19.559 7.204 1.00 0.00 C ATOM 2070 O PRO C 90 -9.193 20.763 7.343 1.00 0.00 O ATOM 2071 CB PRO C 90 -7.278 19.443 5.917 1.00 0.00 C ATOM 2072 CG PRO C 90 -7.722 19.666 4.516 1.00 0.00 C ATOM 2073 CD PRO C 90 -8.474 18.426 4.120 1.00 0.00 C ATOM 0 HA PRO C 90 -8.081 17.961 7.344 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -7.127 20.387 6.441 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -6.332 18.903 5.953 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -8.358 20.548 4.444 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -6.869 19.833 3.858 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -9.294 18.654 3.439 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -7.828 17.709 3.613 1.00 0.00 H new ATOM 2081 N GLN C 91 -10.549 18.993 7.601 1.00 0.00 N ATOM 2082 CA GLN C 91 -11.599 19.765 8.229 1.00 0.00 C ATOM 2083 C GLN C 91 -11.438 19.722 9.736 1.00 0.00 C ATOM 2084 O GLN C 91 -11.126 20.730 10.358 1.00 0.00 O ATOM 2085 CB GLN C 91 -12.961 19.223 7.846 1.00 0.00 C ATOM 2086 CG GLN C 91 -14.042 20.267 7.965 1.00 0.00 C ATOM 2087 CD GLN C 91 -15.370 19.819 7.513 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -15.529 19.059 6.556 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -16.337 20.264 8.264 1.00 0.00 N ATOM 0 H GLN C 91 -10.757 18.000 7.499 1.00 0.00 H new ATOM 0 HA GLN C 91 -11.524 20.796 7.885 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -12.928 18.852 6.822 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -13.206 18.374 8.485 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -14.113 20.583 9.006 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -13.750 21.143 7.385 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -16.132 20.892 9.041 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -17.300 19.985 8.075 1.00 0.00 H new ATOM 2098 N THR C 92 -11.672 18.541 10.295 1.00 0.00 N ATOM 2099 CA THR C 92 -11.445 18.251 11.717 1.00 0.00 C ATOM 2100 C THR C 92 -12.026 19.352 12.622 1.00 0.00 C ATOM 2101 O THR C 92 -13.034 19.982 12.280 1.00 0.00 O ATOM 2102 CB THR C 92 -9.929 17.994 12.016 1.00 0.00 C ATOM 2103 OG1 THR C 92 -9.752 17.530 13.362 1.00 0.00 O ATOM 2104 CG2 THR C 92 -9.057 19.228 11.801 1.00 0.00 C ATOM 0 H THR C 92 -12.030 17.742 9.771 1.00 0.00 H new ATOM 0 HA THR C 92 -11.981 17.331 11.950 1.00 0.00 H new ATOM 0 HB THR C 92 -9.609 17.233 11.305 1.00 0.00 H new ATOM 0 HG1 THR C 92 -8.800 17.373 13.531 1.00 0.00 H new ATOM 0 HG21 THR C 92 -8.019 18.983 12.025 1.00 0.00 H new ATOM 0 HG22 THR C 92 -9.137 19.554 10.764 1.00 0.00 H new ATOM 0 HG23 THR C 92 -9.391 20.029 12.460 1.00 0.00 H new ATOM 2112 N HIS C 93 -11.432 19.542 13.791 1.00 0.00 N ATOM 2113 CA HIS C 93 -11.890 20.557 14.724 1.00 0.00 C ATOM 2114 C HIS C 93 -11.659 21.949 14.153 1.00 0.00 C ATOM 2115 O HIS C 93 -12.587 22.751 14.061 1.00 0.00 O ATOM 2116 CB HIS C 93 -11.184 20.413 16.066 1.00 0.00 C ATOM 2117 CG HIS C 93 -11.410 19.091 16.733 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -10.520 18.042 16.647 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -12.426 18.653 17.511 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -10.981 17.021 17.343 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -12.135 17.364 17.879 1.00 0.00 N ATOM 0 H HIS C 93 -10.629 19.003 14.115 1.00 0.00 H new ATOM 0 HA HIS C 93 -12.960 20.418 14.881 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -10.113 20.556 15.919 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -11.524 21.207 16.731 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -13.305 19.215 17.791 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -10.494 16.064 17.455 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -12.716 16.769 18.470 1.00 0.00 H new ATOM 2130 N LEU C 94 -10.423 22.226 13.763 1.00 0.00 N ATOM 2131 CA LEU C 94 -10.084 23.499 13.143 1.00 0.00 C ATOM 2132 C LEU C 94 -9.825 23.304 11.654 1.00 0.00 C ATOM 2133 O LEU C 94 -8.775 22.791 11.262 1.00 0.00 O ATOM 2134 CB LEU C 94 -8.865 24.136 13.811 1.00 0.00 C ATOM 2135 CG LEU C 94 -9.088 24.732 15.212 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -10.283 25.674 15.215 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -9.262 23.638 16.257 1.00 0.00 C ATOM 0 H LEU C 94 -9.637 21.585 13.865 1.00 0.00 H new ATOM 0 HA LEU C 94 -10.930 24.174 13.275 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -8.081 23.382 13.881 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -8.491 24.926 13.159 1.00 0.00 H new ATOM 0 HG LEU C 94 -8.199 25.305 15.474 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -10.421 26.083 16.216 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -10.107 26.488 14.511 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -11.178 25.127 14.920 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -9.418 24.091 17.236 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -10.125 23.024 16.000 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -8.368 23.015 16.284 1.00 0.00 H new ATOM 2149 N PRO C 95 -10.784 23.710 10.807 1.00 0.00 N ATOM 2150 CA PRO C 95 -10.719 23.474 9.359 1.00 0.00 C ATOM 2151 C PRO C 95 -9.608 24.264 8.677 1.00 0.00 C ATOM 2152 O PRO C 95 -9.479 25.475 8.873 1.00 0.00 O ATOM 2153 CB PRO C 95 -12.090 23.939 8.862 1.00 0.00 C ATOM 2154 CG PRO C 95 -12.567 24.907 9.886 1.00 0.00 C ATOM 2155 CD PRO C 95 -12.008 24.435 11.195 1.00 0.00 C ATOM 0 HA PRO C 95 -10.495 22.432 9.132 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -12.015 24.408 7.881 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -12.778 23.100 8.762 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -12.225 25.916 9.657 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -13.656 24.938 9.916 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -11.786 25.269 11.861 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -12.709 23.786 11.720 1.00 0.00 H new ATOM 2163 N SER C 96 -8.810 23.567 7.875 1.00 0.00 N ATOM 2164 CA SER C 96 -7.725 24.183 7.136 1.00 0.00 C ATOM 2165 C SER C 96 -8.268 25.168 6.104 1.00 0.00 C ATOM 2166 O SER C 96 -7.635 26.181 5.801 1.00 0.00 O ATOM 2167 CB SER C 96 -6.872 23.108 6.449 1.00 0.00 C ATOM 2168 OG SER C 96 -5.790 23.680 5.727 1.00 0.00 O ATOM 0 H SER C 96 -8.900 22.563 7.722 1.00 0.00 H new ATOM 0 HA SER C 96 -7.098 24.732 7.838 1.00 0.00 H new ATOM 0 HB2 SER C 96 -6.485 22.417 7.198 1.00 0.00 H new ATOM 0 HB3 SER C 96 -7.496 22.527 5.770 1.00 0.00 H new ATOM 0 HG SER C 96 -5.267 22.968 5.303 1.00 0.00 H new ATOM 2174 N GLY C 97 -9.445 24.868 5.574 1.00 0.00 N ATOM 2175 CA GLY C 97 -10.060 25.733 4.590 1.00 0.00 C ATOM 2176 C GLY C 97 -10.172 25.065 3.241 1.00 0.00 C ATOM 2177 O GLY C 97 -11.273 24.841 2.738 1.00 0.00 O ATOM 0 H GLY C 97 -9.987 24.037 5.810 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -11.052 26.025 4.934 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -9.474 26.647 4.494 1.00 0.00 H new ATOM 2181 N ALA C 98 -9.032 24.740 2.657 1.00 0.00 N ATOM 2182 CA ALA C 98 -8.999 24.071 1.370 1.00 0.00 C ATOM 2183 C ALA C 98 -8.682 22.596 1.547 1.00 0.00 C ATOM 2184 O ALA C 98 -7.727 22.234 2.234 1.00 0.00 O ATOM 2185 CB ALA C 98 -7.970 24.725 0.464 1.00 0.00 C ATOM 0 H ALA C 98 -8.113 24.930 3.057 1.00 0.00 H new ATOM 0 HA ALA C 98 -9.981 24.161 0.907 1.00 0.00 H new ATOM 0 HB1 ALA C 98 -7.955 24.214 -0.498 1.00 0.00 H new ATOM 0 HB2 ALA C 98 -8.231 25.773 0.314 1.00 0.00 H new ATOM 0 HB3 ALA C 98 -6.985 24.659 0.925 1.00 0.00 H new ATOM 2191 N SER C 99 -9.496 21.752 0.939 1.00 0.00 N ATOM 2192 CA SER C 99 -9.291 20.318 0.998 1.00 0.00 C ATOM 2193 C SER C 99 -8.421 19.858 -0.166 1.00 0.00 C ATOM 2194 O SER C 99 -7.382 19.230 0.045 1.00 0.00 O ATOM 2195 CB SER C 99 -10.636 19.599 0.984 1.00 0.00 C ATOM 2196 OG SER C 99 -11.449 20.028 2.064 1.00 0.00 O ATOM 0 H SER C 99 -10.310 22.039 0.396 1.00 0.00 H new ATOM 0 HA SER C 99 -8.775 20.072 1.926 1.00 0.00 H new ATOM 0 HB2 SER C 99 -11.146 19.792 0.040 1.00 0.00 H new ATOM 0 HB3 SER C 99 -10.478 18.522 1.047 1.00 0.00 H new ATOM 0 HG SER C 99 -12.307 19.556 2.035 1.00 0.00 H new ATOM 2202 N SER C 100 -8.841 20.199 -1.385 1.00 0.00 N ATOM 2203 CA SER C 100 -8.099 19.858 -2.596 1.00 0.00 C ATOM 2204 C SER C 100 -7.767 18.366 -2.648 1.00 0.00 C ATOM 2205 O SER C 100 -6.597 17.971 -2.627 1.00 0.00 O ATOM 2206 CB SER C 100 -6.824 20.698 -2.682 1.00 0.00 C ATOM 2207 OG SER C 100 -7.129 22.084 -2.660 1.00 0.00 O ATOM 0 H SER C 100 -9.702 20.717 -1.559 1.00 0.00 H new ATOM 0 HA SER C 100 -8.731 20.082 -3.456 1.00 0.00 H new ATOM 0 HB2 SER C 100 -6.165 20.453 -1.849 1.00 0.00 H new ATOM 0 HB3 SER C 100 -6.284 20.455 -3.597 1.00 0.00 H new ATOM 0 HG SER C 100 -6.299 22.602 -2.714 1.00 0.00 H new ATOM 2213 N GLY C 101 -8.805 17.546 -2.709 1.00 0.00 N ATOM 2214 CA GLY C 101 -8.621 16.112 -2.756 1.00 0.00 C ATOM 2215 C GLY C 101 -9.936 15.383 -2.622 1.00 0.00 C ATOM 2216 O GLY C 101 -10.973 15.952 -3.026 1.00 0.00 O ATOM 2217 OXT GLY C 101 -9.945 14.245 -2.116 1.00 0.00 O ATOM 0 H GLY C 101 -9.778 17.852 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY C 101 -8.144 15.836 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY C 101 -7.949 15.803 -1.955 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -15.242 -2.676 -3.470 1.00 0.00 ZN