USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1045 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 THR OG1 : rot -66:sc= 1.16 USER MOD Set 1.2: A 114 HIS : no HD1:sc= -0.358 K(o=0.8,f=-3.8!) USER MOD Set 2.1: A 93 THR OG1 : rot -72:sc= 1.12 USER MOD Set 2.2: A 95 MET CE :methyl -178:sc= -0.27 (180deg=-0.2) USER MOD Set 3.1: A 74 TYR OH : rot 26:sc= 1.17 USER MOD Set 3.2: A 108 TYR OH : rot -42:sc= 0.114 USER MOD Single : A 1 ILE N :NH3+ -171:sc= -0.173 (180deg=-0.26) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.78 K(o=-1.8,f=-4.7!) USER MOD Single : A 20 THR OG1 : rot 160:sc= 0.243 USER MOD Single : A 21 GLN :FLIP amide:sc= -0.0355 F(o=-0.94,f=-0.035) USER MOD Single : A 26 THR OG1 : rot -163:sc= -0.698 USER MOD Single : A 27 SER OG : rot 25:sc= 0.853 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.00994) USER MOD Single : A 35 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.3) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 57 SER OG : rot 180:sc= 0.176 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.4) USER MOD Single : A 64 HIS : no HD1:sc= -0.774 X(o=-0.77,f=-0.94) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 60:sc= 0.0882 USER MOD Single : A 72 ASN : amide:sc= -1.01 X(o=-1,f=-1.5) USER MOD Single : A 75 MET CE :methyl -121:sc= -0.289 (180deg=-2.55) USER MOD Single : A 77 SER OG : rot 180:sc= -0.15 USER MOD Single : A 78 TYR OH : rot -147:sc= 1.21 USER MOD Single : A 81 LYS NZ :NH3+ -119:sc= -0.122 (180deg=-1.31) USER MOD Single : A 84 LYS NZ :NH3+ -145:sc= 1.13 (180deg=0.285) USER MOD Single : A 86 SER OG : rot -17:sc= 0.741 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 175:sc= 0 (180deg=-0.0614) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 ASN : amide:sc= -0.0874 X(o=-0.087,f=0) USER MOD Single : A 118 THR OG1 : rot 160:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.367 X(o=-0.37,f=0) USER MOD Single : A 122 MET CE :methyl 145:sc= -0.219 (180deg=-1.07) USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 MET CE :methyl 178:sc= -0.836 (180deg=-0.898) USER MOD Single : A 129 GLN : amide:sc= -0.0011 X(o=-0.0011,f=0) USER MOD Single : A 134 ASN :FLIP amide:sc= -0.0642 F(o=-0.74,f=-0.064) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot -90:sc= -1.58 USER MOD Single : A 144 THR OG1 : rot -53:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 14.409 -12.863 -4.940 1.00 0.00 N ATOM 2 CA ILE A 1 14.343 -12.774 -3.473 1.00 0.00 C ATOM 3 C ILE A 1 15.487 -13.587 -2.848 1.00 0.00 C ATOM 4 O ILE A 1 15.274 -14.731 -2.428 1.00 0.00 O ATOM 5 CB ILE A 1 12.976 -13.235 -2.906 1.00 0.00 C ATOM 6 CG1 ILE A 1 11.744 -12.697 -3.662 1.00 0.00 C ATOM 7 CG2 ILE A 1 12.853 -12.836 -1.430 1.00 0.00 C ATOM 8 CD1 ILE A 1 11.250 -13.709 -4.697 1.00 0.00 C ATOM 0 H1 ILE A 1 13.732 -12.194 -5.359 1.00 0.00 H new ATOM 0 H2 ILE A 1 15.371 -12.628 -5.259 1.00 0.00 H new ATOM 0 H3 ILE A 1 14.171 -13.830 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 1 14.453 -11.723 -3.207 1.00 0.00 H new ATOM 0 HB ILE A 1 12.973 -14.318 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 1 10.946 -12.477 -2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 1 11.998 -11.760 -4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 1 11.889 -13.165 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 1 13.653 -13.306 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 1 12.930 -11.753 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 1 10.381 -13.304 -5.215 1.00 0.00 H new ATOM 0 HD12 ILE A 1 12.043 -13.908 -5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 1 10.974 -14.637 -4.196 1.00 0.00 H new ATOM 20 N PRO A 2 16.707 -13.044 -2.763 1.00 0.00 N ATOM 21 CA PRO A 2 17.732 -13.601 -1.895 1.00 0.00 C ATOM 22 C PRO A 2 17.478 -13.278 -0.425 1.00 0.00 C ATOM 23 O PRO A 2 16.727 -12.348 -0.122 1.00 0.00 O ATOM 24 CB PRO A 2 19.029 -12.965 -2.377 1.00 0.00 C ATOM 25 CG PRO A 2 18.592 -11.606 -2.919 1.00 0.00 C ATOM 26 CD PRO A 2 17.193 -11.871 -3.465 1.00 0.00 C ATOM 0 HA PRO A 2 17.753 -14.689 -1.948 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.748 -12.859 -1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.507 -13.568 -3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.580 -10.847 -2.137 1.00 0.00 H new ATOM 0 HG3 PRO A 2 19.266 -11.250 -3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.539 -11.016 -3.295 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.220 -12.043 -4.541 1.00 0.00 H new ATOM 34 N LYS A 3 18.107 -14.056 0.470 1.00 0.00 N ATOM 35 CA LYS A 3 18.099 -13.906 1.931 1.00 0.00 C ATOM 36 C LYS A 3 18.834 -15.069 2.602 1.00 0.00 C ATOM 37 O LYS A 3 18.196 -15.990 3.125 1.00 0.00 O ATOM 38 CB LYS A 3 16.685 -13.696 2.524 1.00 0.00 C ATOM 39 CG LYS A 3 15.598 -14.649 1.992 1.00 0.00 C ATOM 40 CD LYS A 3 14.214 -14.213 2.481 1.00 0.00 C ATOM 41 CE LYS A 3 13.123 -14.676 1.517 1.00 0.00 C ATOM 42 NZ LYS A 3 12.957 -16.139 1.477 1.00 0.00 N ATOM 0 H LYS A 3 18.668 -14.854 0.173 1.00 0.00 H new ATOM 0 HA LYS A 3 18.641 -12.986 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 3 16.743 -13.807 3.607 1.00 0.00 H new ATOM 0 HB3 LYS A 3 16.374 -12.670 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 3 15.618 -14.660 0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 3 15.804 -15.666 2.325 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.028 -14.626 3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.183 -13.128 2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 3 12.177 -14.219 1.805 1.00 0.00 H new ATOM 0 HE3 LYS A 3 13.358 -14.317 0.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 12.203 -16.385 0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.848 -16.581 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.703 -16.486 2.424 1.00 0.00 H new ATOM 56 N HIS A 4 20.165 -15.060 2.592 1.00 0.00 N ATOM 57 CA HIS A 4 21.006 -15.918 3.430 1.00 0.00 C ATOM 58 C HIS A 4 21.774 -15.034 4.417 1.00 0.00 C ATOM 59 O HIS A 4 22.032 -13.869 4.098 1.00 0.00 O ATOM 60 CB HIS A 4 21.972 -16.753 2.568 1.00 0.00 C ATOM 61 CG HIS A 4 21.303 -17.960 1.962 1.00 0.00 C ATOM 62 ND1 HIS A 4 21.630 -19.276 2.179 1.00 0.00 N ATOM 63 CD2 HIS A 4 20.178 -17.947 1.193 1.00 0.00 C ATOM 64 CE1 HIS A 4 20.705 -20.039 1.575 1.00 0.00 C ATOM 65 NE2 HIS A 4 19.778 -19.270 0.972 1.00 0.00 N ATOM 0 H HIS A 4 20.704 -14.441 1.986 1.00 0.00 H new ATOM 0 HA HIS A 4 20.379 -16.620 3.981 1.00 0.00 H new ATOM 0 HB2 HIS A 4 22.378 -16.128 1.772 1.00 0.00 H new ATOM 0 HB3 HIS A 4 22.814 -17.076 3.180 1.00 0.00 H new ATOM 0 HD2 HIS A 4 19.680 -17.065 0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 4 20.704 -21.119 1.573 1.00 0.00 H new ATOM 0 HE2 HIS A 4 18.955 -19.586 0.460 1.00 0.00 H new ATOM 73 N PRO A 5 22.153 -15.552 5.596 1.00 0.00 N ATOM 74 CA PRO A 5 23.062 -14.879 6.504 1.00 0.00 C ATOM 75 C PRO A 5 24.466 -14.953 5.908 1.00 0.00 C ATOM 76 O PRO A 5 25.140 -15.986 5.984 1.00 0.00 O ATOM 77 CB PRO A 5 22.919 -15.584 7.844 1.00 0.00 C ATOM 78 CG PRO A 5 22.546 -17.006 7.455 1.00 0.00 C ATOM 79 CD PRO A 5 21.818 -16.869 6.117 1.00 0.00 C ATOM 0 HA PRO A 5 22.847 -13.821 6.651 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.847 -15.554 8.415 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.149 -15.121 8.462 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.431 -17.635 7.361 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.906 -17.467 8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 5 22.130 -17.651 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.741 -16.971 6.249 1.00 0.00 H new ATOM 87 N ASP A 6 24.814 -13.879 5.210 1.00 0.00 N ATOM 88 CA ASP A 6 26.049 -13.594 4.491 1.00 0.00 C ATOM 89 C ASP A 6 26.098 -12.061 4.335 1.00 0.00 C ATOM 90 O ASP A 6 25.060 -11.405 4.513 1.00 0.00 O ATOM 91 CB ASP A 6 25.995 -14.316 3.135 1.00 0.00 C ATOM 92 CG ASP A 6 27.326 -14.416 2.390 1.00 0.00 C ATOM 93 OD1 ASP A 6 28.287 -13.698 2.723 1.00 0.00 O ATOM 94 OD2 ASP A 6 27.364 -15.238 1.441 1.00 0.00 O ATOM 0 H ASP A 6 24.163 -13.098 5.125 1.00 0.00 H new ATOM 0 HA ASP A 6 26.945 -13.940 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 6 25.611 -15.324 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 6 25.279 -13.799 2.496 1.00 0.00 H new ATOM 99 N SER A 7 27.247 -11.490 3.974 1.00 0.00 N ATOM 100 CA SER A 7 27.622 -10.088 4.168 1.00 0.00 C ATOM 101 C SER A 7 27.701 -9.742 5.670 1.00 0.00 C ATOM 102 O SER A 7 27.118 -10.415 6.522 1.00 0.00 O ATOM 103 CB SER A 7 26.685 -9.152 3.374 1.00 0.00 C ATOM 104 OG SER A 7 27.322 -7.935 3.009 1.00 0.00 O ATOM 0 H SER A 7 27.984 -12.023 3.512 1.00 0.00 H new ATOM 0 HA SER A 7 28.623 -9.931 3.765 1.00 0.00 H new ATOM 0 HB2 SER A 7 26.341 -9.663 2.475 1.00 0.00 H new ATOM 0 HB3 SER A 7 25.802 -8.932 3.973 1.00 0.00 H new ATOM 0 HG SER A 7 26.694 -7.375 2.507 1.00 0.00 H new ATOM 110 N GLU A 8 28.444 -8.682 5.994 1.00 0.00 N ATOM 111 CA GLU A 8 28.611 -8.138 7.341 1.00 0.00 C ATOM 112 C GLU A 8 28.740 -6.617 7.196 1.00 0.00 C ATOM 113 O GLU A 8 29.797 -6.025 7.422 1.00 0.00 O ATOM 114 CB GLU A 8 29.821 -8.776 8.066 1.00 0.00 C ATOM 115 CG GLU A 8 29.508 -10.102 8.787 1.00 0.00 C ATOM 116 CD GLU A 8 28.413 -9.979 9.864 1.00 0.00 C ATOM 117 OE1 GLU A 8 28.229 -8.878 10.436 1.00 0.00 O ATOM 118 OE2 GLU A 8 27.692 -10.971 10.125 1.00 0.00 O ATOM 0 H GLU A 8 28.968 -8.157 5.294 1.00 0.00 H new ATOM 0 HA GLU A 8 27.751 -8.376 7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 8 30.613 -8.951 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 8 30.209 -8.064 8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 8 29.198 -10.842 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 8 30.420 -10.477 9.251 1.00 0.00 H new ATOM 125 N ALA A 9 27.660 -5.978 6.746 1.00 0.00 N ATOM 126 CA ALA A 9 27.571 -4.539 6.579 1.00 0.00 C ATOM 127 C ALA A 9 26.106 -4.148 6.699 1.00 0.00 C ATOM 128 O ALA A 9 25.302 -4.484 5.823 1.00 0.00 O ATOM 129 CB ALA A 9 28.134 -4.104 5.221 1.00 0.00 C ATOM 0 H ALA A 9 26.804 -6.466 6.482 1.00 0.00 H new ATOM 0 HA ALA A 9 28.163 -4.040 7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 9 28.054 -3.021 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 9 29.181 -4.398 5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 9 27.568 -4.583 4.422 1.00 0.00 H new ATOM 135 N VAL A 10 25.743 -3.459 7.774 1.00 0.00 N ATOM 136 CA VAL A 10 24.546 -2.636 7.799 1.00 0.00 C ATOM 137 C VAL A 10 24.763 -1.532 6.758 1.00 0.00 C ATOM 138 O VAL A 10 25.638 -0.682 6.905 1.00 0.00 O ATOM 139 CB VAL A 10 24.225 -2.150 9.232 1.00 0.00 C ATOM 140 CG1 VAL A 10 25.302 -1.277 9.899 1.00 0.00 C ATOM 141 CG2 VAL A 10 22.878 -1.415 9.262 1.00 0.00 C ATOM 0 H VAL A 10 26.269 -3.456 8.648 1.00 0.00 H new ATOM 0 HA VAL A 10 23.648 -3.190 7.526 1.00 0.00 H new ATOM 0 HB VAL A 10 24.188 -3.065 9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 10 24.973 -0.993 10.899 1.00 0.00 H new ATOM 0 HG12 VAL A 10 26.233 -1.839 9.969 1.00 0.00 H new ATOM 0 HG13 VAL A 10 25.464 -0.379 9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 10 22.669 -1.080 10.278 1.00 0.00 H new ATOM 0 HG22 VAL A 10 22.919 -0.552 8.597 1.00 0.00 H new ATOM 0 HG23 VAL A 10 22.088 -2.090 8.932 1.00 0.00 H new ATOM 151 N ALA A 11 24.036 -1.605 5.646 1.00 0.00 N ATOM 152 CA ALA A 11 23.980 -0.530 4.669 1.00 0.00 C ATOM 153 C ALA A 11 22.762 0.344 4.978 1.00 0.00 C ATOM 154 O ALA A 11 21.777 -0.164 5.533 1.00 0.00 O ATOM 155 CB ALA A 11 23.896 -1.138 3.263 1.00 0.00 C ATOM 0 H ALA A 11 23.468 -2.416 5.400 1.00 0.00 H new ATOM 0 HA ALA A 11 24.874 0.092 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 11 23.854 -0.339 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 11 24.776 -1.755 3.080 1.00 0.00 H new ATOM 0 HB3 ALA A 11 22.999 -1.752 3.185 1.00 0.00 H new ATOM 161 N PRO A 12 22.750 1.618 4.557 1.00 0.00 N ATOM 162 CA PRO A 12 21.568 2.449 4.646 1.00 0.00 C ATOM 163 C PRO A 12 20.501 1.853 3.732 1.00 0.00 C ATOM 164 O PRO A 12 20.767 1.496 2.582 1.00 0.00 O ATOM 165 CB PRO A 12 21.997 3.857 4.243 1.00 0.00 C ATOM 166 CG PRO A 12 23.174 3.598 3.309 1.00 0.00 C ATOM 167 CD PRO A 12 23.798 2.306 3.832 1.00 0.00 C ATOM 0 HA PRO A 12 21.137 2.494 5.646 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.194 4.396 3.741 1.00 0.00 H new ATOM 0 HB3 PRO A 12 22.290 4.453 5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.845 3.490 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.888 4.421 3.332 1.00 0.00 H new ATOM 0 HD2 PRO A 12 24.171 1.693 3.011 1.00 0.00 H new ATOM 0 HD3 PRO A 12 24.647 2.519 4.482 1.00 0.00 H new ATOM 175 N ASP A 13 19.303 1.697 4.267 1.00 0.00 N ATOM 176 CA ASP A 13 18.152 1.133 3.566 1.00 0.00 C ATOM 177 C ASP A 13 17.672 2.165 2.533 1.00 0.00 C ATOM 178 O ASP A 13 17.932 3.367 2.703 1.00 0.00 O ATOM 179 CB ASP A 13 17.072 0.827 4.618 1.00 0.00 C ATOM 180 CG ASP A 13 16.248 -0.431 4.368 1.00 0.00 C ATOM 181 OD1 ASP A 13 16.811 -1.548 4.401 1.00 0.00 O ATOM 182 OD2 ASP A 13 15.000 -0.339 4.325 1.00 0.00 O ATOM 0 H ASP A 13 19.093 1.965 5.228 1.00 0.00 H new ATOM 0 HA ASP A 13 18.395 0.211 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.554 0.737 5.592 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.394 1.679 4.675 1.00 0.00 H new ATOM 187 N PRO A 14 16.988 1.735 1.466 1.00 0.00 N ATOM 188 CA PRO A 14 16.400 2.624 0.472 1.00 0.00 C ATOM 189 C PRO A 14 15.241 3.445 1.062 1.00 0.00 C ATOM 190 O PRO A 14 14.900 3.303 2.243 1.00 0.00 O ATOM 191 CB PRO A 14 15.973 1.701 -0.679 1.00 0.00 C ATOM 192 CG PRO A 14 15.767 0.342 -0.015 1.00 0.00 C ATOM 193 CD PRO A 14 16.795 0.346 1.100 1.00 0.00 C ATOM 0 HA PRO A 14 17.101 3.380 0.119 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.058 2.055 -1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.737 1.653 -1.455 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.754 0.231 0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.933 -0.478 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.447 -0.237 1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.731 -0.103 0.768 1.00 0.00 H new ATOM 201 N PHE A 15 14.628 4.277 0.209 1.00 0.00 N ATOM 202 CA PHE A 15 13.513 5.179 0.502 1.00 0.00 C ATOM 203 C PHE A 15 13.950 6.330 1.402 1.00 0.00 C ATOM 204 O PHE A 15 14.996 6.297 2.057 1.00 0.00 O ATOM 205 CB PHE A 15 12.338 4.412 1.123 1.00 0.00 C ATOM 206 CG PHE A 15 11.991 3.119 0.413 1.00 0.00 C ATOM 207 CD1 PHE A 15 11.520 3.143 -0.910 1.00 0.00 C ATOM 208 CD2 PHE A 15 12.161 1.886 1.067 1.00 0.00 C ATOM 209 CE1 PHE A 15 11.163 1.949 -1.556 1.00 0.00 C ATOM 210 CE2 PHE A 15 11.807 0.694 0.420 1.00 0.00 C ATOM 211 CZ PHE A 15 11.298 0.722 -0.887 1.00 0.00 C ATOM 0 H PHE A 15 14.919 4.340 -0.767 1.00 0.00 H new ATOM 0 HA PHE A 15 13.177 5.608 -0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 15 12.574 4.189 2.163 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.460 5.057 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 15 11.432 4.084 -1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 15 12.565 1.857 2.068 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.785 1.974 -2.567 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.927 -0.250 0.930 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.011 -0.197 -1.377 1.00 0.00 H new ATOM 221 N ASN A 16 13.118 7.365 1.471 1.00 0.00 N ATOM 222 CA ASN A 16 13.299 8.506 2.322 1.00 0.00 C ATOM 223 C ASN A 16 11.965 8.825 3.002 1.00 0.00 C ATOM 224 O ASN A 16 10.924 8.751 2.356 1.00 0.00 O ATOM 225 CB ASN A 16 13.801 9.690 1.478 1.00 0.00 C ATOM 226 CG ASN A 16 13.056 10.064 0.195 1.00 0.00 C ATOM 227 OD1 ASN A 16 12.522 9.230 -0.530 1.00 0.00 O ATOM 228 ND2 ASN A 16 13.078 11.341 -0.150 1.00 0.00 N ATOM 0 H ASN A 16 12.270 7.421 0.908 1.00 0.00 H new ATOM 0 HA ASN A 16 14.042 8.304 3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 16 13.809 10.570 2.121 1.00 0.00 H new ATOM 0 HB3 ASN A 16 14.836 9.484 1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 16 12.649 11.640 -1.025 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.524 12.026 0.460 1.00 0.00 H new ATOM 235 N PRO A 17 11.964 9.273 4.269 1.00 0.00 N ATOM 236 CA PRO A 17 10.779 9.864 4.890 1.00 0.00 C ATOM 237 C PRO A 17 10.475 11.238 4.278 1.00 0.00 C ATOM 238 O PRO A 17 9.323 11.674 4.229 1.00 0.00 O ATOM 239 CB PRO A 17 11.108 9.945 6.380 1.00 0.00 C ATOM 240 CG PRO A 17 12.634 9.962 6.452 1.00 0.00 C ATOM 241 CD PRO A 17 13.083 9.226 5.197 1.00 0.00 C ATOM 0 HA PRO A 17 9.879 9.272 4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.682 10.842 6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.698 9.092 6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.019 10.982 6.473 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.994 9.466 7.353 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.965 9.698 4.765 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.353 8.195 5.427 1.00 0.00 H new ATOM 249 N ALA A 18 11.499 11.886 3.708 1.00 0.00 N ATOM 250 CA ALA A 18 11.435 13.136 2.960 1.00 0.00 C ATOM 251 C ALA A 18 10.620 13.039 1.653 1.00 0.00 C ATOM 252 O ALA A 18 10.688 13.928 0.806 1.00 0.00 O ATOM 253 CB ALA A 18 12.863 13.613 2.693 1.00 0.00 C ATOM 0 H ALA A 18 12.451 11.524 3.764 1.00 0.00 H new ATOM 0 HA ALA A 18 10.897 13.863 3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.836 14.548 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.377 13.772 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.396 12.859 2.114 1.00 0.00 H new ATOM 259 N ALA A 19 9.839 11.977 1.469 1.00 0.00 N ATOM 260 CA ALA A 19 9.009 11.689 0.312 1.00 0.00 C ATOM 261 C ALA A 19 7.543 11.481 0.688 1.00 0.00 C ATOM 262 O ALA A 19 6.685 11.499 -0.193 1.00 0.00 O ATOM 263 CB ALA A 19 9.604 10.452 -0.363 1.00 0.00 C ATOM 0 H ALA A 19 9.768 11.246 2.177 1.00 0.00 H new ATOM 0 HA ALA A 19 9.008 12.538 -0.372 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.011 10.196 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.630 10.661 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.595 9.616 0.337 1.00 0.00 H new ATOM 269 N THR A 20 7.217 11.332 1.971 1.00 0.00 N ATOM 270 CA THR A 20 5.856 11.007 2.367 1.00 0.00 C ATOM 271 C THR A 20 4.957 12.245 2.435 1.00 0.00 C ATOM 272 O THR A 20 3.741 12.119 2.411 1.00 0.00 O ATOM 273 CB THR A 20 5.892 10.240 3.691 1.00 0.00 C ATOM 274 OG1 THR A 20 6.966 9.318 3.663 1.00 0.00 O ATOM 275 CG2 THR A 20 4.569 9.513 3.912 1.00 0.00 C ATOM 0 H THR A 20 7.874 11.431 2.745 1.00 0.00 H new ATOM 0 HA THR A 20 5.409 10.371 1.603 1.00 0.00 H new ATOM 0 HB THR A 20 6.039 10.938 4.515 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.196 9.056 4.579 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.605 8.970 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.756 10.238 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.399 8.810 3.096 1.00 0.00 H new ATOM 283 N GLN A 21 5.517 13.452 2.467 1.00 0.00 N ATOM 284 CA GLN A 21 4.754 14.702 2.535 1.00 0.00 C ATOM 285 C GLN A 21 4.106 15.113 1.210 1.00 0.00 C ATOM 286 O GLN A 21 3.465 16.164 1.146 1.00 0.00 O ATOM 287 CB GLN A 21 5.676 15.795 3.060 1.00 0.00 C ATOM 288 CG GLN A 21 6.838 16.146 2.126 1.00 0.00 C ATOM 289 CD GLN A 21 8.123 16.371 2.906 1.00 0.00 C ATOM 290 OE1 GLN A 21 8.949 15.347 3.021 1.00 0.00 O flip ATOM 291 NE2 GLN A 21 8.372 17.443 3.437 1.00 0.00 N flip ATOM 0 H GLN A 21 6.527 13.594 2.446 1.00 0.00 H new ATOM 0 HA GLN A 21 3.915 14.543 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.087 16.694 3.241 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.081 15.481 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.984 15.342 1.405 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.593 17.043 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.723 18.224 3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.229 17.557 3.979 1.00 0.00 H new ATOM 300 N LEU A 22 4.302 14.329 0.148 1.00 0.00 N ATOM 301 CA LEU A 22 3.745 14.614 -1.174 1.00 0.00 C ATOM 302 C LEU A 22 2.447 13.829 -1.398 1.00 0.00 C ATOM 303 O LEU A 22 1.860 13.899 -2.476 1.00 0.00 O ATOM 304 CB LEU A 22 4.789 14.352 -2.283 1.00 0.00 C ATOM 305 CG LEU A 22 6.127 15.130 -2.187 1.00 0.00 C ATOM 306 CD1 LEU A 22 5.994 16.513 -1.539 1.00 0.00 C ATOM 307 CD2 LEU A 22 7.208 14.348 -1.433 1.00 0.00 C ATOM 0 H LEU A 22 4.856 13.473 0.182 1.00 0.00 H new ATOM 0 HA LEU A 22 3.491 15.673 -1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.016 13.286 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.329 14.586 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 22 6.425 15.264 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.971 16.995 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.306 17.124 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.610 16.404 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.124 14.938 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.867 14.141 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.403 13.408 -1.949 1.00 0.00 H new ATOM 319 N LEU A 23 1.990 13.084 -0.386 1.00 0.00 N ATOM 320 CA LEU A 23 0.882 12.121 -0.436 1.00 0.00 C ATOM 321 C LEU A 23 -0.499 12.808 -0.415 1.00 0.00 C ATOM 322 O LEU A 23 -1.457 12.290 0.156 1.00 0.00 O ATOM 323 CB LEU A 23 1.062 11.127 0.732 1.00 0.00 C ATOM 324 CG LEU A 23 1.946 9.895 0.465 1.00 0.00 C ATOM 325 CD1 LEU A 23 1.147 8.838 -0.304 1.00 0.00 C ATOM 326 CD2 LEU A 23 3.262 10.219 -0.258 1.00 0.00 C ATOM 0 H LEU A 23 2.406 13.139 0.543 1.00 0.00 H new ATOM 0 HA LEU A 23 0.911 11.582 -1.383 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.483 11.670 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.075 10.778 1.036 1.00 0.00 H new ATOM 0 HG LEU A 23 2.237 9.503 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.778 7.969 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.280 8.538 0.285 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.814 9.254 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.829 9.301 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.044 10.675 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.848 10.912 0.346 1.00 0.00 H new ATOM 338 N ASP A 24 -0.620 13.995 -0.997 1.00 0.00 N ATOM 339 CA ASP A 24 -1.865 14.773 -1.014 1.00 0.00 C ATOM 340 C ASP A 24 -2.667 14.511 -2.277 1.00 0.00 C ATOM 341 O ASP A 24 -3.888 14.448 -2.234 1.00 0.00 O ATOM 342 CB ASP A 24 -1.508 16.259 -0.906 1.00 0.00 C ATOM 343 CG ASP A 24 -2.639 17.094 -0.313 1.00 0.00 C ATOM 344 OD1 ASP A 24 -2.791 17.024 0.927 1.00 0.00 O ATOM 345 OD2 ASP A 24 -3.226 17.934 -1.028 1.00 0.00 O ATOM 0 H ASP A 24 0.152 14.456 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.487 14.472 -0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.617 16.371 -0.288 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.260 16.642 -1.896 1.00 0.00 H new ATOM 350 N ASP A 25 -1.961 14.308 -3.388 1.00 0.00 N ATOM 351 CA ASP A 25 -2.526 14.344 -4.739 1.00 0.00 C ATOM 352 C ASP A 25 -1.888 13.242 -5.602 1.00 0.00 C ATOM 353 O ASP A 25 -1.835 13.297 -6.828 1.00 0.00 O ATOM 354 CB ASP A 25 -2.260 15.747 -5.292 1.00 0.00 C ATOM 355 CG ASP A 25 -3.120 16.191 -6.469 1.00 0.00 C ATOM 356 OD1 ASP A 25 -3.974 15.415 -6.953 1.00 0.00 O ATOM 357 OD2 ASP A 25 -2.867 17.344 -6.896 1.00 0.00 O ATOM 0 H ASP A 25 -0.960 14.110 -3.376 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.599 14.151 -4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.395 16.464 -4.482 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.214 15.801 -5.595 1.00 0.00 H new ATOM 362 N THR A 26 -1.307 12.244 -4.936 1.00 0.00 N ATOM 363 CA THR A 26 -0.882 10.990 -5.549 1.00 0.00 C ATOM 364 C THR A 26 -2.096 10.040 -5.598 1.00 0.00 C ATOM 365 O THR A 26 -3.222 10.453 -5.329 1.00 0.00 O ATOM 366 CB THR A 26 0.358 10.458 -4.810 1.00 0.00 C ATOM 367 OG1 THR A 26 0.133 10.344 -3.421 1.00 0.00 O ATOM 368 CG2 THR A 26 1.585 11.365 -4.951 1.00 0.00 C ATOM 0 H THR A 26 -1.116 12.288 -3.935 1.00 0.00 H new ATOM 0 HA THR A 26 -0.558 11.112 -6.583 1.00 0.00 H new ATOM 0 HB THR A 26 0.544 9.490 -5.275 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.992 10.268 -2.956 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.423 10.931 -4.406 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.848 11.461 -6.005 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.358 12.350 -4.543 1.00 0.00 H new ATOM 376 N SER A 27 -1.934 8.763 -5.940 1.00 0.00 N ATOM 377 CA SER A 27 -3.073 7.859 -6.015 1.00 0.00 C ATOM 378 C SER A 27 -2.668 6.432 -5.752 1.00 0.00 C ATOM 379 O SER A 27 -3.078 5.913 -4.729 1.00 0.00 O ATOM 380 CB SER A 27 -3.758 8.043 -7.364 1.00 0.00 C ATOM 381 OG SER A 27 -4.690 9.110 -7.294 1.00 0.00 O ATOM 0 H SER A 27 -1.035 8.338 -6.167 1.00 0.00 H new ATOM 0 HA SER A 27 -3.789 8.104 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.014 8.249 -8.134 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.267 7.123 -7.651 1.00 0.00 H new ATOM 0 HG SER A 27 -4.423 9.731 -6.585 1.00 0.00 H new ATOM 387 N TRP A 28 -1.797 5.853 -6.568 1.00 0.00 N ATOM 388 CA TRP A 28 -1.260 4.510 -6.392 1.00 0.00 C ATOM 389 C TRP A 28 -2.287 3.369 -6.527 1.00 0.00 C ATOM 390 O TRP A 28 -3.501 3.529 -6.441 1.00 0.00 O ATOM 391 CB TRP A 28 -0.426 4.388 -5.094 1.00 0.00 C ATOM 392 CG TRP A 28 0.343 5.587 -4.614 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.164 6.534 -3.797 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.740 5.958 -4.819 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.791 7.483 -3.520 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.988 7.180 -4.125 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.830 5.375 -5.494 1.00 0.00 C ATOM 398 CZ2 TRP A 28 3.242 7.806 -4.125 1.00 0.00 C ATOM 399 CZ3 TRP A 28 4.095 5.994 -5.513 1.00 0.00 C ATOM 400 CH2 TRP A 28 4.307 7.195 -4.809 1.00 0.00 C ATOM 0 H TRP A 28 -1.433 6.321 -7.398 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.591 4.372 -7.242 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.102 4.087 -4.294 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.285 3.574 -5.233 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.174 6.545 -3.416 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.632 8.307 -2.940 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.693 4.435 -6.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.388 8.743 -3.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.905 5.546 -6.069 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.288 7.647 -4.795 1.00 0.00 H new ATOM 411 N VAL A 29 -1.766 2.178 -6.793 1.00 0.00 N ATOM 412 CA VAL A 29 -2.451 0.885 -6.875 1.00 0.00 C ATOM 413 C VAL A 29 -1.611 -0.136 -6.123 1.00 0.00 C ATOM 414 O VAL A 29 -0.430 -0.260 -6.438 1.00 0.00 O ATOM 415 CB VAL A 29 -2.588 0.528 -8.368 1.00 0.00 C ATOM 416 CG1 VAL A 29 -2.904 -0.932 -8.696 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.677 1.369 -9.033 1.00 0.00 C ATOM 0 H VAL A 29 -0.767 2.079 -6.973 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.445 0.907 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.589 0.736 -8.752 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.975 -1.055 -9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.111 -1.572 -8.309 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.852 -1.211 -8.236 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.754 1.098 -10.086 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.631 1.184 -8.540 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.424 2.426 -8.948 1.00 0.00 H new ATOM 427 N LEU A 30 -2.179 -0.850 -5.140 1.00 0.00 N ATOM 428 CA LEU A 30 -1.497 -1.990 -4.523 1.00 0.00 C ATOM 429 C LEU A 30 -1.296 -3.019 -5.621 1.00 0.00 C ATOM 430 O LEU A 30 -2.288 -3.420 -6.229 1.00 0.00 O ATOM 431 CB LEU A 30 -2.338 -2.639 -3.411 1.00 0.00 C ATOM 432 CG LEU A 30 -1.613 -3.839 -2.756 1.00 0.00 C ATOM 433 CD1 LEU A 30 -0.414 -3.376 -1.930 1.00 0.00 C ATOM 434 CD2 LEU A 30 -2.549 -4.635 -1.845 1.00 0.00 C ATOM 0 H LEU A 30 -3.105 -0.657 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.563 -1.649 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.566 -1.894 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.289 -2.973 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.275 -4.478 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.075 -4.241 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.292 -2.853 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.753 -2.703 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.004 -5.469 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.924 -3.987 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.387 -5.017 -2.429 1.00 0.00 H new ATOM 446 N SER A 31 -0.074 -3.494 -5.840 1.00 0.00 N ATOM 447 CA SER A 31 0.179 -4.438 -6.919 1.00 0.00 C ATOM 448 C SER A 31 0.893 -5.699 -6.425 1.00 0.00 C ATOM 449 O SER A 31 0.770 -6.749 -7.055 1.00 0.00 O ATOM 450 CB SER A 31 0.937 -3.671 -8.024 1.00 0.00 C ATOM 451 OG SER A 31 0.924 -4.304 -9.288 1.00 0.00 O ATOM 0 H SER A 31 0.748 -3.243 -5.290 1.00 0.00 H new ATOM 0 HA SER A 31 -0.754 -4.821 -7.333 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.501 -2.677 -8.124 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.972 -3.534 -7.710 1.00 0.00 H new ATOM 0 HG SER A 31 1.422 -3.758 -9.932 1.00 0.00 H new ATOM 457 N ALA A 32 1.546 -5.669 -5.256 1.00 0.00 N ATOM 458 CA ALA A 32 1.934 -6.894 -4.575 1.00 0.00 C ATOM 459 C ALA A 32 1.866 -6.713 -3.065 1.00 0.00 C ATOM 460 O ALA A 32 1.999 -5.600 -2.556 1.00 0.00 O ATOM 461 CB ALA A 32 3.336 -7.323 -5.003 1.00 0.00 C ATOM 0 H ALA A 32 1.812 -4.812 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 32 1.233 -7.680 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.610 -8.241 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.351 -7.496 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.049 -6.538 -4.752 1.00 0.00 H new ATOM 467 N TRP A 33 1.715 -7.816 -2.338 1.00 0.00 N ATOM 468 CA TRP A 33 1.607 -7.831 -0.888 1.00 0.00 C ATOM 469 C TRP A 33 2.555 -8.896 -0.368 1.00 0.00 C ATOM 470 O TRP A 33 2.239 -10.086 -0.424 1.00 0.00 O ATOM 471 CB TRP A 33 0.156 -8.097 -0.479 1.00 0.00 C ATOM 472 CG TRP A 33 -0.182 -7.966 0.973 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.660 -7.943 2.037 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.515 -7.789 1.520 1.00 0.00 C ATOM 475 NE1 TRP A 33 -0.062 -7.761 3.197 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.412 -7.699 2.938 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.798 -7.693 0.943 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.536 -7.573 3.757 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -3.932 -7.527 1.757 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.798 -7.489 3.155 1.00 0.00 C ATOM 0 H TRP A 33 1.663 -8.746 -2.754 1.00 0.00 H new ATOM 0 HA TRP A 33 1.884 -6.869 -0.457 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.483 -7.413 -1.037 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.104 -9.107 -0.796 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.733 -8.051 1.983 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.351 -7.682 4.126 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.910 -7.747 -0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.434 -7.541 4.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.909 -7.428 1.307 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.679 -7.394 3.773 1.00 0.00 H new ATOM 491 N LYS A 34 3.731 -8.492 0.112 1.00 0.00 N ATOM 492 CA LYS A 34 4.661 -9.427 0.711 1.00 0.00 C ATOM 493 C LYS A 34 4.260 -9.648 2.159 1.00 0.00 C ATOM 494 O LYS A 34 3.921 -8.691 2.851 1.00 0.00 O ATOM 495 CB LYS A 34 6.089 -8.876 0.648 1.00 0.00 C ATOM 496 CG LYS A 34 7.069 -10.043 0.523 1.00 0.00 C ATOM 497 CD LYS A 34 7.301 -10.420 -0.944 1.00 0.00 C ATOM 498 CE LYS A 34 8.391 -9.520 -1.528 1.00 0.00 C ATOM 499 NZ LYS A 34 9.268 -10.261 -2.454 1.00 0.00 N ATOM 0 H LYS A 34 4.054 -7.525 0.094 1.00 0.00 H new ATOM 0 HA LYS A 34 4.632 -10.369 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.195 -8.203 -0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.308 -8.295 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.018 -9.775 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.682 -10.905 1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.597 -11.466 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.377 -10.308 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.930 -8.683 -2.053 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.988 -9.099 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.873 -9.591 -2.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.864 -10.921 -1.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.686 -10.795 -3.131 1.00 0.00 H new ATOM 513 N GLN A 35 4.330 -10.882 2.627 1.00 0.00 N ATOM 514 CA GLN A 35 4.262 -11.213 4.035 1.00 0.00 C ATOM 515 C GLN A 35 5.622 -10.997 4.686 1.00 0.00 C ATOM 516 O GLN A 35 6.635 -10.866 3.990 1.00 0.00 O ATOM 517 CB GLN A 35 3.840 -12.670 4.203 1.00 0.00 C ATOM 518 CG GLN A 35 2.435 -12.898 3.639 1.00 0.00 C ATOM 519 CD GLN A 35 1.968 -14.323 3.855 1.00 0.00 C ATOM 520 OE1 GLN A 35 1.576 -15.003 2.912 1.00 0.00 O ATOM 521 NE2 GLN A 35 2.035 -14.801 5.082 1.00 0.00 N ATOM 0 H GLN A 35 4.438 -11.697 2.024 1.00 0.00 H new ATOM 0 HA GLN A 35 3.528 -10.567 4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.551 -13.320 3.694 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.861 -12.940 5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.736 -12.210 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.430 -12.671 2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.366 -14.208 5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.756 -15.764 5.270 1.00 0.00 H new ATOM 530 N ALA A 36 5.659 -11.076 6.014 1.00 0.00 N ATOM 531 CA ALA A 36 6.884 -10.927 6.792 1.00 0.00 C ATOM 532 C ALA A 36 7.940 -11.974 6.422 1.00 0.00 C ATOM 533 O ALA A 36 9.127 -11.662 6.372 1.00 0.00 O ATOM 534 CB ALA A 36 6.549 -10.982 8.282 1.00 0.00 C ATOM 0 H ALA A 36 4.831 -11.247 6.585 1.00 0.00 H new ATOM 0 HA ALA A 36 7.321 -9.957 6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.463 -10.871 8.865 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.860 -10.175 8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.084 -11.940 8.515 1.00 0.00 H new ATOM 540 N ASP A 37 7.523 -13.203 6.092 1.00 0.00 N ATOM 541 CA ASP A 37 8.460 -14.264 5.692 1.00 0.00 C ATOM 542 C ASP A 37 8.971 -14.063 4.263 1.00 0.00 C ATOM 543 O ASP A 37 9.915 -14.723 3.829 1.00 0.00 O ATOM 544 CB ASP A 37 7.798 -15.638 5.791 1.00 0.00 C ATOM 545 CG ASP A 37 8.842 -16.751 5.649 1.00 0.00 C ATOM 546 OD1 ASP A 37 9.615 -16.966 6.608 1.00 0.00 O ATOM 547 OD2 ASP A 37 8.863 -17.475 4.632 1.00 0.00 O ATOM 0 H ASP A 37 6.544 -13.488 6.094 1.00 0.00 H new ATOM 0 HA ASP A 37 9.306 -14.211 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.286 -15.733 6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.041 -15.740 5.013 1.00 0.00 H new ATOM 552 N GLY A 38 8.348 -13.160 3.501 1.00 0.00 N ATOM 553 CA GLY A 38 8.696 -12.886 2.128 1.00 0.00 C ATOM 554 C GLY A 38 7.756 -13.556 1.128 1.00 0.00 C ATOM 555 O GLY A 38 8.094 -13.620 -0.050 1.00 0.00 O ATOM 0 H GLY A 38 7.572 -12.593 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.683 -11.808 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.715 -13.225 1.943 1.00 0.00 H new ATOM 559 N THR A 39 6.599 -14.057 1.557 1.00 0.00 N ATOM 560 CA THR A 39 5.585 -14.648 0.702 1.00 0.00 C ATOM 561 C THR A 39 4.787 -13.535 0.032 1.00 0.00 C ATOM 562 O THR A 39 4.044 -12.827 0.703 1.00 0.00 O ATOM 563 CB THR A 39 4.723 -15.565 1.579 1.00 0.00 C ATOM 564 OG1 THR A 39 5.570 -16.576 2.078 1.00 0.00 O ATOM 565 CG2 THR A 39 3.568 -16.214 0.832 1.00 0.00 C ATOM 0 H THR A 39 6.338 -14.060 2.543 1.00 0.00 H new ATOM 0 HA THR A 39 6.015 -15.248 -0.100 1.00 0.00 H new ATOM 0 HB THR A 39 4.275 -14.959 2.366 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.054 -17.184 2.647 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.003 -16.848 1.515 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.914 -15.440 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.958 -16.820 0.014 1.00 0.00 H new ATOM 573 N ALA A 40 4.952 -13.327 -1.272 1.00 0.00 N ATOM 574 CA ALA A 40 4.010 -12.527 -2.042 1.00 0.00 C ATOM 575 C ALA A 40 2.657 -13.248 -2.085 1.00 0.00 C ATOM 576 O ALA A 40 2.564 -14.351 -2.622 1.00 0.00 O ATOM 577 CB ALA A 40 4.585 -12.276 -3.432 1.00 0.00 C ATOM 0 H ALA A 40 5.730 -13.702 -1.815 1.00 0.00 H new ATOM 0 HA ALA A 40 3.849 -11.555 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.884 -11.677 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.531 -11.742 -3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.752 -13.229 -3.934 1.00 0.00 H new ATOM 583 N ARG A 41 1.629 -12.660 -1.475 1.00 0.00 N ATOM 584 CA ARG A 41 0.268 -13.189 -1.444 1.00 0.00 C ATOM 585 C ARG A 41 -0.334 -13.224 -2.851 1.00 0.00 C ATOM 586 O ARG A 41 0.106 -12.486 -3.746 1.00 0.00 O ATOM 587 CB ARG A 41 -0.580 -12.291 -0.519 1.00 0.00 C ATOM 588 CG ARG A 41 -0.484 -12.685 0.961 1.00 0.00 C ATOM 589 CD ARG A 41 -0.928 -11.522 1.865 1.00 0.00 C ATOM 590 NE ARG A 41 -1.263 -11.987 3.229 1.00 0.00 N ATOM 591 CZ ARG A 41 -0.794 -11.513 4.391 1.00 0.00 C ATOM 592 NH1 ARG A 41 -0.047 -10.417 4.417 1.00 0.00 N ATOM 593 NH2 ARG A 41 -1.045 -12.157 5.520 1.00 0.00 N ATOM 0 H ARG A 41 1.724 -11.776 -0.974 1.00 0.00 H new ATOM 0 HA ARG A 41 0.280 -14.211 -1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.259 -11.256 -0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.622 -12.338 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.108 -13.558 1.151 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.541 -12.968 1.201 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.133 -10.779 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.795 -11.030 1.425 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.928 -12.758 3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.174 -9.929 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.307 -10.062 5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.596 -13.015 5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.687 -11.795 6.404 1.00 0.00 H new ATOM 607 N ALA A 42 -1.419 -13.979 -3.028 1.00 0.00 N ATOM 608 CA ALA A 42 -2.362 -13.689 -4.103 1.00 0.00 C ATOM 609 C ALA A 42 -3.006 -12.351 -3.792 1.00 0.00 C ATOM 610 O ALA A 42 -3.454 -12.145 -2.663 1.00 0.00 O ATOM 611 CB ALA A 42 -3.474 -14.737 -4.228 1.00 0.00 C ATOM 0 H ALA A 42 -1.662 -14.783 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.811 -13.689 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.142 -14.463 -5.045 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.033 -15.713 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.039 -14.781 -3.297 1.00 0.00 H new ATOM 617 N VAL A 43 -3.091 -11.487 -4.796 1.00 0.00 N ATOM 618 CA VAL A 43 -3.911 -10.288 -4.778 1.00 0.00 C ATOM 619 C VAL A 43 -4.694 -10.272 -6.103 1.00 0.00 C ATOM 620 O VAL A 43 -4.310 -10.988 -7.038 1.00 0.00 O ATOM 621 CB VAL A 43 -3.047 -9.030 -4.531 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.267 -9.128 -3.207 1.00 0.00 C ATOM 623 CG2 VAL A 43 -2.040 -8.716 -5.651 1.00 0.00 C ATOM 0 H VAL A 43 -2.576 -11.607 -5.668 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.622 -10.287 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.773 -8.218 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.671 -8.226 -3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.968 -9.231 -2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.609 -9.996 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.478 -7.818 -5.394 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.353 -9.554 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.575 -8.553 -6.586 1.00 0.00 H new ATOM 633 N PRO A 44 -5.809 -9.536 -6.207 1.00 0.00 N ATOM 634 CA PRO A 44 -6.575 -9.477 -7.443 1.00 0.00 C ATOM 635 C PRO A 44 -5.916 -8.532 -8.452 1.00 0.00 C ATOM 636 O PRO A 44 -5.856 -7.332 -8.208 1.00 0.00 O ATOM 637 CB PRO A 44 -7.964 -8.997 -7.032 1.00 0.00 C ATOM 638 CG PRO A 44 -7.700 -8.162 -5.775 1.00 0.00 C ATOM 639 CD PRO A 44 -6.519 -8.876 -5.119 1.00 0.00 C ATOM 0 HA PRO A 44 -6.625 -10.445 -7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.431 -8.403 -7.817 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.632 -9.833 -6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.458 -7.128 -6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.570 -8.137 -5.119 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.872 -8.169 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.860 -9.599 -4.378 1.00 0.00 H new ATOM 647 N SER A 45 -5.420 -9.031 -9.581 1.00 0.00 N ATOM 648 CA SER A 45 -4.969 -8.195 -10.685 1.00 0.00 C ATOM 649 C SER A 45 -6.176 -7.539 -11.387 1.00 0.00 C ATOM 650 O SER A 45 -7.325 -7.895 -11.110 1.00 0.00 O ATOM 651 CB SER A 45 -4.215 -9.124 -11.636 1.00 0.00 C ATOM 652 OG SER A 45 -2.844 -9.088 -11.309 1.00 0.00 O ATOM 0 H SER A 45 -5.320 -10.031 -9.755 1.00 0.00 H new ATOM 0 HA SER A 45 -4.327 -7.384 -10.343 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.597 -10.141 -11.553 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.366 -8.811 -12.669 1.00 0.00 H new ATOM 0 HG SER A 45 -2.348 -9.682 -11.911 1.00 0.00 H new ATOM 658 N ALA A 46 -5.937 -6.630 -12.338 1.00 0.00 N ATOM 659 CA ALA A 46 -6.995 -6.000 -13.131 1.00 0.00 C ATOM 660 C ALA A 46 -7.866 -7.037 -13.839 1.00 0.00 C ATOM 661 O ALA A 46 -9.081 -6.859 -13.956 1.00 0.00 O ATOM 662 CB ALA A 46 -6.381 -5.018 -14.134 1.00 0.00 C ATOM 0 H ALA A 46 -4.999 -6.310 -12.580 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.646 -5.449 -12.452 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.174 -4.553 -14.720 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.828 -4.248 -13.597 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.704 -5.553 -14.800 1.00 0.00 H new ATOM 668 N ASP A 47 -7.266 -8.140 -14.285 1.00 0.00 N ATOM 669 CA ASP A 47 -7.973 -9.196 -14.998 1.00 0.00 C ATOM 670 C ASP A 47 -8.863 -10.020 -14.078 1.00 0.00 C ATOM 671 O ASP A 47 -9.830 -10.629 -14.526 1.00 0.00 O ATOM 672 CB ASP A 47 -6.982 -10.111 -15.726 1.00 0.00 C ATOM 673 CG ASP A 47 -6.180 -9.287 -16.730 1.00 0.00 C ATOM 674 OD1 ASP A 47 -6.709 -9.015 -17.834 1.00 0.00 O ATOM 675 OD2 ASP A 47 -5.097 -8.808 -16.339 1.00 0.00 O ATOM 0 H ASP A 47 -6.271 -8.324 -14.160 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.619 -8.708 -15.728 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.312 -10.584 -15.009 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.517 -10.911 -16.239 1.00 0.00 H new ATOM 680 N GLN A 48 -8.593 -10.001 -12.775 1.00 0.00 N ATOM 681 CA GLN A 48 -9.415 -10.698 -11.791 1.00 0.00 C ATOM 682 C GLN A 48 -10.753 -9.992 -11.558 1.00 0.00 C ATOM 683 O GLN A 48 -11.657 -10.562 -10.945 1.00 0.00 O ATOM 684 CB GLN A 48 -8.679 -10.795 -10.461 1.00 0.00 C ATOM 685 CG GLN A 48 -7.432 -11.693 -10.538 1.00 0.00 C ATOM 686 CD GLN A 48 -7.733 -13.187 -10.580 1.00 0.00 C ATOM 687 OE1 GLN A 48 -7.990 -13.810 -9.547 1.00 0.00 O ATOM 688 NE2 GLN A 48 -7.644 -13.796 -11.747 1.00 0.00 N ATOM 0 H GLN A 48 -7.799 -9.503 -12.373 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.611 -11.693 -12.190 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.383 -9.796 -10.140 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -9.357 -11.186 -9.702 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.861 -11.425 -11.427 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.797 -11.487 -9.676 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.430 -13.259 -12.587 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.789 -14.804 -11.809 1.00 0.00 H new ATOM 697 N GLY A 49 -10.879 -8.747 -12.007 1.00 0.00 N ATOM 698 CA GLY A 49 -12.135 -8.038 -12.107 1.00 0.00 C ATOM 699 C GLY A 49 -12.424 -7.102 -10.940 1.00 0.00 C ATOM 700 O GLY A 49 -13.212 -6.166 -11.079 1.00 0.00 O ATOM 0 H GLY A 49 -10.081 -8.193 -12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.139 -7.459 -13.031 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.944 -8.765 -12.183 1.00 0.00 H new ATOM 704 N ALA A 50 -11.760 -7.298 -9.802 1.00 0.00 N ATOM 705 CA ALA A 50 -11.795 -6.385 -8.676 1.00 0.00 C ATOM 706 C ALA A 50 -10.370 -6.104 -8.194 1.00 0.00 C ATOM 707 O ALA A 50 -9.994 -6.575 -7.123 1.00 0.00 O ATOM 708 CB ALA A 50 -12.695 -6.953 -7.589 1.00 0.00 C ATOM 0 H ALA A 50 -11.172 -8.116 -9.640 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.221 -5.426 -8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.721 -6.267 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.703 -7.083 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.306 -7.917 -7.262 1.00 0.00 H new ATOM 714 N PRO A 51 -9.570 -5.350 -8.966 1.00 0.00 N ATOM 715 CA PRO A 51 -8.264 -4.902 -8.521 1.00 0.00 C ATOM 716 C PRO A 51 -8.410 -3.984 -7.310 1.00 0.00 C ATOM 717 O PRO A 51 -9.454 -3.346 -7.113 1.00 0.00 O ATOM 718 CB PRO A 51 -7.645 -4.175 -9.718 1.00 0.00 C ATOM 719 CG PRO A 51 -8.863 -3.651 -10.478 1.00 0.00 C ATOM 720 CD PRO A 51 -9.918 -4.732 -10.232 1.00 0.00 C ATOM 0 HA PRO A 51 -7.627 -5.728 -8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.989 -3.364 -9.401 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.046 -4.848 -10.332 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -9.186 -2.680 -10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.653 -3.528 -11.540 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.918 -4.300 -10.193 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.919 -5.466 -11.037 1.00 0.00 H new ATOM 728 N ILE A 52 -7.339 -3.890 -6.529 1.00 0.00 N ATOM 729 CA ILE A 52 -7.209 -2.925 -5.457 1.00 0.00 C ATOM 730 C ILE A 52 -6.581 -1.682 -6.065 1.00 0.00 C ATOM 731 O ILE A 52 -5.603 -1.772 -6.798 1.00 0.00 O ATOM 732 CB ILE A 52 -6.385 -3.541 -4.302 1.00 0.00 C ATOM 733 CG1 ILE A 52 -7.228 -4.711 -3.728 1.00 0.00 C ATOM 734 CG2 ILE A 52 -5.995 -2.510 -3.222 1.00 0.00 C ATOM 735 CD1 ILE A 52 -6.853 -5.198 -2.331 1.00 0.00 C ATOM 0 H ILE A 52 -6.525 -4.496 -6.630 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.167 -2.649 -5.017 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.428 -3.904 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.274 -4.403 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.154 -5.554 -4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.419 -3.003 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.393 -1.721 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.897 -2.077 -2.790 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.513 -6.016 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.821 -5.548 -2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.958 -4.379 -1.620 1.00 0.00 H new ATOM 747 N THR A 53 -7.120 -0.519 -5.737 1.00 0.00 N ATOM 748 CA THR A 53 -6.623 0.786 -6.147 1.00 0.00 C ATOM 749 C THR A 53 -6.537 1.644 -4.877 1.00 0.00 C ATOM 750 O THR A 53 -7.130 1.287 -3.850 1.00 0.00 O ATOM 751 CB THR A 53 -7.606 1.383 -7.172 1.00 0.00 C ATOM 752 OG1 THR A 53 -8.901 1.531 -6.603 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.749 0.530 -8.441 1.00 0.00 C ATOM 0 H THR A 53 -7.953 -0.455 -5.152 1.00 0.00 H new ATOM 0 HA THR A 53 -5.642 0.733 -6.618 1.00 0.00 H new ATOM 0 HB THR A 53 -7.185 2.350 -7.448 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.509 1.913 -7.269 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.455 1.006 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.779 0.439 -8.930 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.115 -0.461 -8.174 1.00 0.00 H new ATOM 761 N LEU A 54 -5.839 2.779 -4.929 1.00 0.00 N ATOM 762 CA LEU A 54 -5.722 3.752 -3.847 1.00 0.00 C ATOM 763 C LEU A 54 -5.915 5.129 -4.495 1.00 0.00 C ATOM 764 O LEU A 54 -5.761 5.280 -5.718 1.00 0.00 O ATOM 765 CB LEU A 54 -4.341 3.487 -3.212 1.00 0.00 C ATOM 766 CG LEU A 54 -3.850 4.070 -1.874 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.513 5.516 -1.691 1.00 0.00 C ATOM 768 CD2 LEU A 54 -4.665 3.622 -0.652 1.00 0.00 C ATOM 0 H LEU A 54 -5.319 3.055 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.457 3.689 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.262 2.404 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.607 3.793 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.868 3.604 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.191 5.687 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.710 5.792 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.393 6.124 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.252 4.078 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.703 3.933 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.619 2.537 -0.562 1.00 0.00 H new ATOM 780 N THR A 55 -6.355 6.129 -3.733 1.00 0.00 N ATOM 781 CA THR A 55 -6.536 7.491 -4.223 1.00 0.00 C ATOM 782 C THR A 55 -6.354 8.477 -3.064 1.00 0.00 C ATOM 783 O THR A 55 -7.133 8.453 -2.105 1.00 0.00 O ATOM 784 CB THR A 55 -7.907 7.656 -4.917 1.00 0.00 C ATOM 785 OG1 THR A 55 -8.223 6.548 -5.746 1.00 0.00 O ATOM 786 CG2 THR A 55 -7.882 8.900 -5.809 1.00 0.00 C ATOM 0 H THR A 55 -6.598 6.014 -2.749 1.00 0.00 H new ATOM 0 HA THR A 55 -5.780 7.706 -4.978 1.00 0.00 H new ATOM 0 HB THR A 55 -8.655 7.738 -4.128 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.098 6.691 -6.164 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.849 9.016 -6.298 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.675 9.780 -5.200 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.104 8.790 -6.564 1.00 0.00 H new ATOM 794 N LEU A 56 -5.318 9.322 -3.126 1.00 0.00 N ATOM 795 CA LEU A 56 -5.119 10.442 -2.228 1.00 0.00 C ATOM 796 C LEU A 56 -5.753 11.658 -2.888 1.00 0.00 C ATOM 797 O LEU A 56 -5.324 12.075 -3.965 1.00 0.00 O ATOM 798 CB LEU A 56 -3.623 10.693 -1.986 1.00 0.00 C ATOM 799 CG LEU A 56 -2.859 9.577 -1.271 1.00 0.00 C ATOM 800 CD1 LEU A 56 -3.608 8.913 -0.122 1.00 0.00 C ATOM 801 CD2 LEU A 56 -2.365 8.513 -2.230 1.00 0.00 C ATOM 0 H LEU A 56 -4.580 9.234 -3.825 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.573 10.237 -1.259 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.145 10.873 -2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.519 11.608 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.010 10.099 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.983 8.137 0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.848 9.659 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.529 8.467 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.829 7.743 -1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.215 8.064 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.695 8.965 -2.962 1.00 0.00 H new ATOM 813 N SER A 57 -6.815 12.170 -2.281 1.00 0.00 N ATOM 814 CA SER A 57 -7.488 13.371 -2.729 1.00 0.00 C ATOM 815 C SER A 57 -8.335 13.886 -1.556 1.00 0.00 C ATOM 816 O SER A 57 -8.264 13.364 -0.435 1.00 0.00 O ATOM 817 CB SER A 57 -8.336 13.018 -3.973 1.00 0.00 C ATOM 818 OG SER A 57 -8.972 14.147 -4.534 1.00 0.00 O ATOM 0 H SER A 57 -7.236 11.752 -1.451 1.00 0.00 H new ATOM 0 HA SER A 57 -6.795 14.159 -3.022 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.697 12.555 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.090 12.280 -3.697 1.00 0.00 H new ATOM 0 HG SER A 57 -9.494 13.873 -5.317 1.00 0.00 H new ATOM 824 N THR A 58 -9.127 14.928 -1.802 1.00 0.00 N ATOM 825 CA THR A 58 -9.864 15.663 -0.784 1.00 0.00 C ATOM 826 C THR A 58 -11.316 15.923 -1.198 1.00 0.00 C ATOM 827 O THR A 58 -11.914 16.893 -0.736 1.00 0.00 O ATOM 828 CB THR A 58 -9.066 16.912 -0.374 1.00 0.00 C ATOM 829 OG1 THR A 58 -8.903 17.804 -1.457 1.00 0.00 O ATOM 830 CG2 THR A 58 -7.657 16.559 0.122 1.00 0.00 C ATOM 0 H THR A 58 -9.276 15.292 -2.743 1.00 0.00 H new ATOM 0 HA THR A 58 -9.963 15.053 0.114 1.00 0.00 H new ATOM 0 HB THR A 58 -9.645 17.374 0.425 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.393 18.587 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.130 17.472 0.401 1.00 0.00 H new ATOM 0 HG22 THR A 58 -7.730 15.903 0.990 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.109 16.051 -0.671 1.00 0.00 H new ATOM 838 N SER A 59 -11.903 15.065 -2.035 1.00 0.00 N ATOM 839 CA SER A 59 -13.313 15.062 -2.413 1.00 0.00 C ATOM 840 C SER A 59 -14.279 15.245 -1.241 1.00 0.00 C ATOM 841 O SER A 59 -15.325 15.868 -1.420 1.00 0.00 O ATOM 842 CB SER A 59 -13.617 13.718 -3.072 1.00 0.00 C ATOM 843 OG SER A 59 -12.824 13.572 -4.231 1.00 0.00 O ATOM 0 H SER A 59 -11.379 14.317 -2.489 1.00 0.00 H new ATOM 0 HA SER A 59 -13.465 15.912 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.414 12.905 -2.375 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.674 13.659 -3.332 1.00 0.00 H new ATOM 0 HG SER A 59 -13.017 12.709 -4.653 1.00 0.00 H new ATOM 849 N THR A 60 -13.995 14.691 -0.055 1.00 0.00 N ATOM 850 CA THR A 60 -14.902 14.865 1.081 1.00 0.00 C ATOM 851 C THR A 60 -14.824 16.299 1.640 1.00 0.00 C ATOM 852 O THR A 60 -15.809 16.807 2.178 1.00 0.00 O ATOM 853 CB THR A 60 -14.642 13.773 2.129 1.00 0.00 C ATOM 854 OG1 THR A 60 -15.777 13.581 2.942 1.00 0.00 O ATOM 855 CG2 THR A 60 -13.446 14.069 3.028 1.00 0.00 C ATOM 0 H THR A 60 -13.164 14.132 0.139 1.00 0.00 H new ATOM 0 HA THR A 60 -15.933 14.741 0.750 1.00 0.00 H new ATOM 0 HB THR A 60 -14.418 12.870 1.561 1.00 0.00 H new ATOM 0 HG1 THR A 60 -15.592 12.881 3.602 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.320 13.257 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.546 14.159 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.616 15.003 3.564 1.00 0.00 H new ATOM 863 N GLY A 61 -13.663 16.947 1.497 1.00 0.00 N ATOM 864 CA GLY A 61 -13.318 18.268 1.998 1.00 0.00 C ATOM 865 C GLY A 61 -12.026 18.250 2.816 1.00 0.00 C ATOM 866 O GLY A 61 -11.352 19.276 2.907 1.00 0.00 O ATOM 0 H GLY A 61 -12.886 16.524 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.207 18.956 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.133 18.646 2.615 1.00 0.00 H new ATOM 870 N GLN A 62 -11.646 17.098 3.378 1.00 0.00 N ATOM 871 CA GLN A 62 -10.416 16.881 4.140 1.00 0.00 C ATOM 872 C GLN A 62 -9.547 15.843 3.426 1.00 0.00 C ATOM 873 O GLN A 62 -10.014 15.169 2.510 1.00 0.00 O ATOM 874 CB GLN A 62 -10.739 16.367 5.551 1.00 0.00 C ATOM 875 CG GLN A 62 -11.573 17.311 6.420 1.00 0.00 C ATOM 876 CD GLN A 62 -13.059 17.253 6.085 1.00 0.00 C ATOM 877 OE1 GLN A 62 -13.707 16.227 6.255 1.00 0.00 O ATOM 878 NE2 GLN A 62 -13.614 18.342 5.597 1.00 0.00 N ATOM 0 H GLN A 62 -12.215 16.254 3.310 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.886 17.830 4.215 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.270 15.419 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.802 16.159 6.067 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.430 17.055 7.470 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.214 18.332 6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.054 19.184 5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.604 18.344 5.351 1.00 0.00 H new ATOM 887 N ARG A 63 -8.314 15.645 3.905 1.00 0.00 N ATOM 888 CA ARG A 63 -7.452 14.527 3.523 1.00 0.00 C ATOM 889 C ARG A 63 -8.097 13.198 3.906 1.00 0.00 C ATOM 890 O ARG A 63 -7.994 12.747 5.051 1.00 0.00 O ATOM 891 CB ARG A 63 -6.029 14.710 4.071 1.00 0.00 C ATOM 892 CG ARG A 63 -5.912 15.085 5.557 1.00 0.00 C ATOM 893 CD ARG A 63 -4.482 14.867 6.068 1.00 0.00 C ATOM 894 NE ARG A 63 -3.488 15.642 5.316 1.00 0.00 N ATOM 895 CZ ARG A 63 -2.634 16.563 5.762 1.00 0.00 C ATOM 896 NH1 ARG A 63 -2.604 16.938 7.041 1.00 0.00 N ATOM 897 NH2 ARG A 63 -1.774 17.092 4.910 1.00 0.00 N ATOM 0 H ARG A 63 -7.881 16.272 4.583 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.345 14.511 2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.478 13.784 3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.533 15.483 3.484 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.197 16.128 5.696 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.607 14.484 6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -4.431 15.143 7.121 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.235 13.807 6.004 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.445 15.449 4.315 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.247 16.517 7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.938 17.646 7.349 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.773 16.794 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.111 17.799 5.228 1.00 0.00 H new ATOM 911 N HIS A 64 -8.822 12.598 2.971 1.00 0.00 N ATOM 912 CA HIS A 64 -9.584 11.382 3.123 1.00 0.00 C ATOM 913 C HIS A 64 -9.223 10.481 1.961 1.00 0.00 C ATOM 914 O HIS A 64 -9.353 10.857 0.798 1.00 0.00 O ATOM 915 CB HIS A 64 -11.064 11.737 3.129 1.00 0.00 C ATOM 916 CG HIS A 64 -11.952 10.854 3.944 1.00 0.00 C ATOM 917 ND1 HIS A 64 -12.947 10.029 3.487 1.00 0.00 N ATOM 918 CD2 HIS A 64 -12.065 10.943 5.294 1.00 0.00 C ATOM 919 CE1 HIS A 64 -13.644 9.606 4.553 1.00 0.00 C ATOM 920 NE2 HIS A 64 -13.140 10.138 5.684 1.00 0.00 N ATOM 0 H HIS A 64 -8.893 12.979 2.027 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.363 10.865 4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.170 12.759 3.493 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.423 11.727 2.100 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.438 11.530 5.949 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.489 8.935 4.511 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -13.476 9.984 6.635 1.00 0.00 H new ATOM 928 N ALA A 65 -8.707 9.313 2.301 1.00 0.00 N ATOM 929 CA ALA A 65 -8.342 8.296 1.337 1.00 0.00 C ATOM 930 C ALA A 65 -9.615 7.683 0.755 1.00 0.00 C ATOM 931 O ALA A 65 -10.692 7.738 1.363 1.00 0.00 O ATOM 932 CB ALA A 65 -7.493 7.226 2.033 1.00 0.00 C ATOM 0 H ALA A 65 -8.528 9.043 3.268 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.759 8.732 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.215 6.457 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.592 7.685 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.068 6.775 2.842 1.00 0.00 H new ATOM 938 N SER A 66 -9.483 7.016 -0.385 1.00 0.00 N ATOM 939 CA SER A 66 -10.447 6.039 -0.854 1.00 0.00 C ATOM 940 C SER A 66 -9.725 5.030 -1.743 1.00 0.00 C ATOM 941 O SER A 66 -8.539 5.181 -2.052 1.00 0.00 O ATOM 942 CB SER A 66 -11.610 6.731 -1.583 1.00 0.00 C ATOM 943 OG SER A 66 -11.160 7.564 -2.631 1.00 0.00 O ATOM 0 H SER A 66 -8.691 7.143 -1.015 1.00 0.00 H new ATOM 0 HA SER A 66 -10.886 5.507 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.286 5.976 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.183 7.324 -0.870 1.00 0.00 H new ATOM 0 HG SER A 66 -11.930 7.983 -3.069 1.00 0.00 H new ATOM 949 N GLY A 67 -10.454 3.999 -2.156 1.00 0.00 N ATOM 950 CA GLY A 67 -10.002 2.991 -3.090 1.00 0.00 C ATOM 951 C GLY A 67 -10.939 1.793 -3.002 1.00 0.00 C ATOM 952 O GLY A 67 -12.042 1.894 -2.444 1.00 0.00 O ATOM 0 H GLY A 67 -11.409 3.843 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.993 3.391 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.980 2.690 -2.857 1.00 0.00 H new ATOM 956 N PHE A 68 -10.527 0.657 -3.554 1.00 0.00 N ATOM 957 CA PHE A 68 -11.278 -0.590 -3.512 1.00 0.00 C ATOM 958 C PHE A 68 -10.399 -1.630 -2.829 1.00 0.00 C ATOM 959 O PHE A 68 -9.246 -1.783 -3.206 1.00 0.00 O ATOM 960 CB PHE A 68 -11.653 -1.005 -4.934 1.00 0.00 C ATOM 961 CG PHE A 68 -12.911 -1.831 -5.101 1.00 0.00 C ATOM 962 CD1 PHE A 68 -14.173 -1.206 -5.115 1.00 0.00 C ATOM 963 CD2 PHE A 68 -12.811 -3.209 -5.372 1.00 0.00 C ATOM 964 CE1 PHE A 68 -15.330 -1.950 -5.403 1.00 0.00 C ATOM 965 CE2 PHE A 68 -13.970 -3.945 -5.675 1.00 0.00 C ATOM 966 CZ PHE A 68 -15.226 -3.320 -5.695 1.00 0.00 C ATOM 0 H PHE A 68 -9.642 0.577 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.207 -0.483 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -11.760 -0.101 -5.534 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.820 -1.569 -5.353 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.252 -0.150 -4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.849 -3.698 -5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.297 -1.469 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -13.893 -5.000 -5.894 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.111 -3.891 -5.934 1.00 0.00 H new ATOM 976 N SER A 69 -10.911 -2.305 -1.804 1.00 0.00 N ATOM 977 CA SER A 69 -10.179 -3.260 -0.972 1.00 0.00 C ATOM 978 C SER A 69 -10.329 -4.705 -1.456 1.00 0.00 C ATOM 979 O SER A 69 -9.693 -5.597 -0.904 1.00 0.00 O ATOM 980 CB SER A 69 -10.706 -3.133 0.465 1.00 0.00 C ATOM 981 OG SER A 69 -12.113 -2.907 0.451 1.00 0.00 O ATOM 0 H SER A 69 -11.884 -2.199 -1.518 1.00 0.00 H new ATOM 0 HA SER A 69 -9.116 -3.025 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.481 -4.041 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.203 -2.311 0.974 1.00 0.00 H new ATOM 0 HG SER A 69 -12.561 -3.658 0.008 1.00 0.00 H new ATOM 987 N GLY A 70 -11.190 -4.957 -2.446 1.00 0.00 N ATOM 988 CA GLY A 70 -11.485 -6.308 -2.910 1.00 0.00 C ATOM 989 C GLY A 70 -12.946 -6.469 -3.305 1.00 0.00 C ATOM 990 O GLY A 70 -13.248 -7.019 -4.363 1.00 0.00 O ATOM 0 H GLY A 70 -11.700 -4.228 -2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.850 -6.545 -3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -11.241 -7.023 -2.124 1.00 0.00 H new ATOM 994 N CYS A 71 -13.889 -5.966 -2.499 1.00 0.00 N ATOM 995 CA CYS A 71 -15.298 -5.958 -2.882 1.00 0.00 C ATOM 996 C CYS A 71 -16.083 -4.906 -2.116 1.00 0.00 C ATOM 997 O CYS A 71 -17.049 -4.366 -2.646 1.00 0.00 O ATOM 998 CB CYS A 71 -15.902 -7.355 -2.632 1.00 0.00 C ATOM 999 SG CYS A 71 -15.512 -8.056 -1.038 1.00 0.00 S ATOM 0 H CYS A 71 -13.699 -5.562 -1.582 1.00 0.00 H new ATOM 0 HA CYS A 71 -15.363 -5.708 -3.941 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -16.986 -7.291 -2.731 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.550 -8.033 -3.409 1.00 0.00 H new ATOM 1004 N ASN A 72 -15.706 -4.615 -0.871 1.00 0.00 N ATOM 1005 CA ASN A 72 -16.480 -3.727 -0.005 1.00 0.00 C ATOM 1006 C ASN A 72 -15.952 -2.288 0.016 1.00 0.00 C ATOM 1007 O ASN A 72 -16.562 -1.423 0.650 1.00 0.00 O ATOM 1008 CB ASN A 72 -16.514 -4.287 1.411 1.00 0.00 C ATOM 1009 CG ASN A 72 -17.500 -5.424 1.686 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -17.941 -5.613 2.804 1.00 0.00 O ATOM 1011 ND2 ASN A 72 -17.903 -6.223 0.713 1.00 0.00 N ATOM 0 H ASN A 72 -14.861 -4.986 -0.437 1.00 0.00 H new ATOM 0 HA ASN A 72 -17.487 -3.684 -0.420 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.513 -4.639 1.660 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -16.742 -3.468 2.093 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -18.566 -6.973 0.910 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.551 -6.090 -0.235 1.00 0.00 H new ATOM 1018 N ARG A 73 -14.879 -2.018 -0.735 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.142 -0.767 -0.807 1.00 0.00 C ATOM 1020 C ARG A 73 -13.797 -0.187 0.563 1.00 0.00 C ATOM 1021 O ARG A 73 -13.916 -0.859 1.583 1.00 0.00 O ATOM 1022 CB ARG A 73 -14.768 0.205 -1.823 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.243 0.013 -2.151 1.00 0.00 C ATOM 1024 CD ARG A 73 -16.736 1.046 -3.153 1.00 0.00 C ATOM 1025 NE ARG A 73 -17.890 0.543 -3.911 1.00 0.00 N ATOM 1026 CZ ARG A 73 -19.013 1.208 -4.201 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -19.189 2.475 -3.842 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -19.964 0.561 -4.857 1.00 0.00 N ATOM 0 H ARG A 73 -14.479 -2.726 -1.351 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.156 -0.983 -1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.635 1.219 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.203 0.133 -2.752 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.399 -0.988 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.831 0.084 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.012 1.961 -2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.930 1.303 -3.840 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.828 -0.416 -4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.456 2.967 -3.331 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -20.057 2.956 -4.078 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.827 -0.414 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.834 1.037 -5.095 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.223 1.006 0.552 1.00 0.00 N ATOM 1043 CA TYR A 74 -12.863 1.717 1.771 1.00 0.00 C ATOM 1044 C TYR A 74 -12.818 3.225 1.546 1.00 0.00 C ATOM 1045 O TYR A 74 -12.781 3.706 0.406 1.00 0.00 O ATOM 1046 CB TYR A 74 -11.507 1.226 2.306 1.00 0.00 C ATOM 1047 CG TYR A 74 -10.352 1.446 1.355 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.106 0.502 0.344 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -9.537 2.589 1.462 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -9.033 0.672 -0.542 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -8.473 2.773 0.565 1.00 0.00 C ATOM 1052 CZ TYR A 74 -8.205 1.805 -0.424 1.00 0.00 C ATOM 1053 OH TYR A 74 -7.166 1.993 -1.270 1.00 0.00 O ATOM 0 H TYR A 74 -12.993 1.510 -0.304 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.635 1.506 2.511 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -11.293 1.736 3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.581 0.162 2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.748 -0.361 0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.730 3.322 2.232 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.842 -0.062 -1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.858 3.658 0.633 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.348 1.537 -2.118 1.00 0.00 H new ATOM 1063 N MET A 75 -12.808 3.955 2.656 1.00 0.00 N ATOM 1064 CA MET A 75 -12.524 5.375 2.804 1.00 0.00 C ATOM 1065 C MET A 75 -12.106 5.618 4.260 1.00 0.00 C ATOM 1066 O MET A 75 -12.186 4.704 5.085 1.00 0.00 O ATOM 1067 CB MET A 75 -13.752 6.223 2.426 1.00 0.00 C ATOM 1068 CG MET A 75 -15.059 5.787 3.110 1.00 0.00 C ATOM 1069 SD MET A 75 -16.400 5.430 1.944 1.00 0.00 S ATOM 1070 CE MET A 75 -16.278 3.627 1.878 1.00 0.00 C ATOM 0 H MET A 75 -13.018 3.526 3.557 1.00 0.00 H new ATOM 0 HA MET A 75 -11.719 5.672 2.132 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.552 7.264 2.681 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.890 6.180 1.346 1.00 0.00 H new ATOM 0 HG2 MET A 75 -14.866 4.899 3.713 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.382 6.572 3.794 1.00 0.00 H new ATOM 0 HE1 MET A 75 -16.090 3.312 0.851 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.459 3.294 2.515 1.00 0.00 H new ATOM 0 HE3 MET A 75 -17.212 3.186 2.227 1.00 0.00 H new ATOM 1080 N GLY A 76 -11.678 6.840 4.573 1.00 0.00 N ATOM 1081 CA GLY A 76 -11.413 7.328 5.922 1.00 0.00 C ATOM 1082 C GLY A 76 -10.284 8.357 5.897 1.00 0.00 C ATOM 1083 O GLY A 76 -9.704 8.618 4.837 1.00 0.00 O ATOM 0 H GLY A 76 -11.499 7.547 3.860 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.315 7.777 6.338 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.142 6.495 6.571 1.00 0.00 H new ATOM 1087 N SER A 77 -9.990 8.983 7.037 1.00 0.00 N ATOM 1088 CA SER A 77 -9.009 10.054 7.125 1.00 0.00 C ATOM 1089 C SER A 77 -7.592 9.504 6.973 1.00 0.00 C ATOM 1090 O SER A 77 -7.354 8.293 7.043 1.00 0.00 O ATOM 1091 CB SER A 77 -9.188 10.857 8.425 1.00 0.00 C ATOM 1092 OG SER A 77 -8.803 10.137 9.579 1.00 0.00 O ATOM 0 H SER A 77 -10.431 8.756 7.928 1.00 0.00 H new ATOM 0 HA SER A 77 -9.174 10.746 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.601 11.773 8.363 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.232 11.154 8.521 1.00 0.00 H new ATOM 0 HG SER A 77 -8.936 10.696 10.373 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.628 10.407 6.813 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.215 10.094 6.908 1.00 0.00 C ATOM 1100 C TYR A 78 -4.462 11.312 7.437 1.00 0.00 C ATOM 1101 O TYR A 78 -5.059 12.371 7.629 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.719 9.590 5.543 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.594 10.598 4.423 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -5.679 10.827 3.556 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -3.326 11.129 4.123 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -5.495 11.571 2.376 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -3.138 11.878 2.954 1.00 0.00 C ATOM 1108 CZ TYR A 78 -4.219 12.094 2.073 1.00 0.00 C ATOM 1109 OH TYR A 78 -4.025 12.794 0.930 1.00 0.00 O ATOM 0 H TYR A 78 -6.815 11.389 6.611 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.029 9.290 7.620 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.742 9.130 5.691 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.395 8.802 5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.654 10.431 3.797 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.497 10.959 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.325 11.741 1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.166 12.290 2.727 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.116 12.635 0.599 1.00 0.00 H new ATOM 1119 N ALA A 79 -3.159 11.176 7.692 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.248 12.275 7.982 1.00 0.00 C ATOM 1121 C ALA A 79 -0.830 11.848 7.632 1.00 0.00 C ATOM 1122 O ALA A 79 -0.466 10.674 7.776 1.00 0.00 O ATOM 1123 CB ALA A 79 -2.305 12.676 9.463 1.00 0.00 C ATOM 0 H ALA A 79 -2.698 10.266 7.702 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.548 13.137 7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.613 13.498 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.317 12.991 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.025 11.823 10.082 1.00 0.00 H new ATOM 1129 N LEU A 80 -0.010 12.810 7.214 1.00 0.00 N ATOM 1130 CA LEU A 80 1.408 12.592 6.980 1.00 0.00 C ATOM 1131 C LEU A 80 2.099 12.976 8.282 1.00 0.00 C ATOM 1132 O LEU A 80 2.001 14.113 8.739 1.00 0.00 O ATOM 1133 CB LEU A 80 1.920 13.378 5.759 1.00 0.00 C ATOM 1134 CG LEU A 80 1.227 13.082 4.404 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.737 11.630 4.245 1.00 0.00 C ATOM 1136 CD2 LEU A 80 0.089 14.054 4.090 1.00 0.00 C ATOM 0 H LEU A 80 -0.316 13.765 7.029 1.00 0.00 H new ATOM 0 HA LEU A 80 1.623 11.554 6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.815 14.442 5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.986 13.179 5.648 1.00 0.00 H new ATOM 0 HG LEU A 80 2.022 13.232 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.265 11.510 3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.585 10.949 4.324 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.014 11.402 5.028 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.356 13.795 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.669 13.990 4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.480 15.070 4.046 1.00 0.00 H new ATOM 1148 N LYS A 81 2.707 12.000 8.948 1.00 0.00 N ATOM 1149 CA LYS A 81 3.392 12.184 10.223 1.00 0.00 C ATOM 1150 C LYS A 81 4.500 11.162 10.321 1.00 0.00 C ATOM 1151 O LYS A 81 4.496 10.206 9.557 1.00 0.00 O ATOM 1152 CB LYS A 81 2.401 12.031 11.381 1.00 0.00 C ATOM 1153 CG LYS A 81 1.793 10.623 11.490 1.00 0.00 C ATOM 1154 CD LYS A 81 0.619 10.574 12.470 1.00 0.00 C ATOM 1155 CE LYS A 81 1.025 10.841 13.921 1.00 0.00 C ATOM 1156 NZ LYS A 81 1.105 12.280 14.259 1.00 0.00 N ATOM 0 H LYS A 81 2.738 11.038 8.609 1.00 0.00 H new ATOM 0 HA LYS A 81 3.817 13.186 10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.907 12.272 12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.597 12.756 11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.456 10.298 10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.562 9.921 11.812 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.127 11.309 12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.145 9.595 12.408 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.307 10.360 14.585 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.993 10.378 14.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.075 12.515 14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.846 12.847 13.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.449 12.491 15.038 1.00 0.00 H new ATOM 1170 N ASP A 82 5.424 11.318 11.262 1.00 0.00 N ATOM 1171 CA ASP A 82 6.497 10.391 11.573 1.00 0.00 C ATOM 1172 C ASP A 82 7.383 9.981 10.383 1.00 0.00 C ATOM 1173 O ASP A 82 8.175 9.039 10.489 1.00 0.00 O ATOM 1174 CB ASP A 82 5.932 9.155 12.289 1.00 0.00 C ATOM 1175 CG ASP A 82 5.111 9.321 13.570 1.00 0.00 C ATOM 1176 OD1 ASP A 82 5.063 10.412 14.192 1.00 0.00 O ATOM 1177 OD2 ASP A 82 4.566 8.281 14.007 1.00 0.00 O ATOM 0 H ASP A 82 5.442 12.144 11.861 1.00 0.00 H new ATOM 0 HA ASP A 82 7.170 10.939 12.233 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.309 8.621 11.571 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.774 8.504 12.526 1.00 0.00 H new ATOM 1182 N GLY A 83 7.304 10.673 9.248 1.00 0.00 N ATOM 1183 CA GLY A 83 7.949 10.262 8.008 1.00 0.00 C ATOM 1184 C GLY A 83 7.246 9.074 7.346 1.00 0.00 C ATOM 1185 O GLY A 83 7.849 8.419 6.505 1.00 0.00 O ATOM 0 H GLY A 83 6.783 11.546 9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.965 11.103 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.987 9.998 8.212 1.00 0.00 H new ATOM 1189 N LYS A 84 5.996 8.780 7.723 1.00 0.00 N ATOM 1190 CA LYS A 84 5.131 7.739 7.176 1.00 0.00 C ATOM 1191 C LYS A 84 3.748 8.316 6.858 1.00 0.00 C ATOM 1192 O LYS A 84 3.503 9.523 6.994 1.00 0.00 O ATOM 1193 CB LYS A 84 5.089 6.519 8.120 1.00 0.00 C ATOM 1194 CG LYS A 84 4.202 6.673 9.363 1.00 0.00 C ATOM 1195 CD LYS A 84 4.820 5.983 10.586 1.00 0.00 C ATOM 1196 CE LYS A 84 3.762 5.914 11.692 1.00 0.00 C ATOM 1197 NZ LYS A 84 4.338 5.640 13.020 1.00 0.00 N ATOM 0 H LYS A 84 5.535 9.301 8.469 1.00 0.00 H new ATOM 0 HA LYS A 84 5.540 7.377 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.742 5.655 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.106 6.299 8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.055 7.732 9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.218 6.249 9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.160 4.981 10.324 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.694 6.536 10.932 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.217 6.857 11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.039 5.136 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.682 5.047 13.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.244 5.142 12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.495 6.537 13.522 1.00 0.00 H new ATOM 1211 N LEU A 85 2.878 7.456 6.337 1.00 0.00 N ATOM 1212 CA LEU A 85 1.510 7.746 5.932 1.00 0.00 C ATOM 1213 C LEU A 85 0.647 7.060 6.988 1.00 0.00 C ATOM 1214 O LEU A 85 0.641 5.837 7.043 1.00 0.00 O ATOM 1215 CB LEU A 85 1.280 7.171 4.516 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.001 7.620 3.778 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -0.238 6.699 2.576 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -1.256 7.669 4.649 1.00 0.00 C ATOM 0 H LEU A 85 3.126 6.480 6.177 1.00 0.00 H new ATOM 0 HA LEU A 85 1.275 8.809 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.138 7.437 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.265 6.084 4.590 1.00 0.00 H new ATOM 0 HG LEU A 85 0.175 8.649 3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.141 7.011 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.614 6.758 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.356 5.672 2.922 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.104 7.994 4.047 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.457 6.677 5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.103 8.371 5.469 1.00 0.00 H new ATOM 1230 N SER A 86 -0.022 7.809 7.861 1.00 0.00 N ATOM 1231 CA SER A 86 -0.968 7.222 8.810 1.00 0.00 C ATOM 1232 C SER A 86 -2.378 7.349 8.268 1.00 0.00 C ATOM 1233 O SER A 86 -2.677 8.324 7.585 1.00 0.00 O ATOM 1234 CB SER A 86 -0.872 7.911 10.167 1.00 0.00 C ATOM 1235 OG SER A 86 -1.061 9.314 10.071 1.00 0.00 O ATOM 0 H SER A 86 0.072 8.822 7.932 1.00 0.00 H new ATOM 0 HA SER A 86 -0.720 6.169 8.941 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.620 7.491 10.840 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.104 7.707 10.608 1.00 0.00 H new ATOM 0 HG SER A 86 -0.947 9.596 9.140 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.258 6.440 8.668 1.00 0.00 N ATOM 1242 CA PHE A 87 -4.668 6.424 8.268 1.00 0.00 C ATOM 1243 C PHE A 87 -5.560 6.833 9.448 1.00 0.00 C ATOM 1244 O PHE A 87 -5.078 7.478 10.385 1.00 0.00 O ATOM 1245 CB PHE A 87 -5.022 5.087 7.599 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.423 4.955 6.212 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -5.025 5.618 5.124 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -3.247 4.209 6.004 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -4.462 5.527 3.844 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -2.659 4.160 4.726 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.263 4.831 3.648 1.00 0.00 C ATOM 0 H PHE A 87 -3.010 5.674 9.294 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.858 7.174 7.501 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.668 4.267 8.224 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.106 4.993 7.534 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.923 6.198 5.277 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.796 3.674 6.826 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.955 5.996 3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.744 3.607 4.573 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.803 4.810 2.671 1.00 0.00 H new ATOM 1261 N GLY A 88 -6.867 6.586 9.377 1.00 0.00 N ATOM 1262 CA GLY A 88 -7.858 6.935 10.384 1.00 0.00 C ATOM 1263 C GLY A 88 -8.748 5.757 10.722 1.00 0.00 C ATOM 1264 O GLY A 88 -8.340 4.602 10.577 1.00 0.00 O ATOM 0 H GLY A 88 -7.280 6.113 8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.354 7.282 11.286 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.469 7.762 10.022 1.00 0.00 H new ATOM 1268 N THR A 89 -9.944 6.044 11.232 1.00 0.00 N ATOM 1269 CA THR A 89 -10.989 5.063 11.482 1.00 0.00 C ATOM 1270 C THR A 89 -11.574 4.701 10.108 1.00 0.00 C ATOM 1271 O THR A 89 -12.649 5.159 9.712 1.00 0.00 O ATOM 1272 CB THR A 89 -11.939 5.625 12.568 1.00 0.00 C ATOM 1273 OG1 THR A 89 -12.594 4.599 13.271 1.00 0.00 O ATOM 1274 CG2 THR A 89 -12.973 6.683 12.158 1.00 0.00 C ATOM 0 H THR A 89 -10.217 6.993 11.489 1.00 0.00 H new ATOM 0 HA THR A 89 -10.663 4.116 11.913 1.00 0.00 H new ATOM 0 HB THR A 89 -11.233 6.167 13.197 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.183 4.991 13.949 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.560 6.974 13.029 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.460 7.557 11.757 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.634 6.270 11.396 1.00 0.00 H new ATOM 1282 N LEU A 90 -10.782 3.974 9.316 1.00 0.00 N ATOM 1283 CA LEU A 90 -11.126 3.554 7.971 1.00 0.00 C ATOM 1284 C LEU A 90 -12.285 2.575 8.064 1.00 0.00 C ATOM 1285 O LEU A 90 -12.409 1.842 9.053 1.00 0.00 O ATOM 1286 CB LEU A 90 -9.953 2.813 7.312 1.00 0.00 C ATOM 1287 CG LEU A 90 -8.657 3.594 7.044 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -7.571 2.586 6.660 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -8.798 4.613 5.917 1.00 0.00 C ATOM 0 H LEU A 90 -9.858 3.656 9.609 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.377 4.436 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.703 1.960 7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -10.304 2.414 6.360 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.406 4.148 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.638 3.114 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.424 1.881 7.478 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.877 2.045 5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.850 5.132 5.775 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.072 4.100 4.995 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.573 5.335 6.174 1.00 0.00 H new ATOM 1301 N GLY A 91 -13.061 2.470 6.997 1.00 0.00 N ATOM 1302 CA GLY A 91 -14.064 1.436 6.862 1.00 0.00 C ATOM 1303 C GLY A 91 -14.720 1.508 5.500 1.00 0.00 C ATOM 1304 O GLY A 91 -14.299 2.281 4.634 1.00 0.00 O ATOM 0 H GLY A 91 -13.010 3.104 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.606 0.457 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.818 1.548 7.641 1.00 0.00 H new ATOM 1308 N GLY A 92 -15.720 0.658 5.292 1.00 0.00 N ATOM 1309 CA GLY A 92 -16.276 0.409 3.978 1.00 0.00 C ATOM 1310 C GLY A 92 -17.733 -0.010 4.059 1.00 0.00 C ATOM 1311 O GLY A 92 -18.499 0.456 4.912 1.00 0.00 O ATOM 0 H GLY A 92 -16.166 0.123 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.189 1.309 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.700 -0.371 3.480 1.00 0.00 H new ATOM 1315 N THR A 93 -18.147 -0.824 3.098 1.00 0.00 N ATOM 1316 CA THR A 93 -19.501 -1.350 2.997 1.00 0.00 C ATOM 1317 C THR A 93 -19.547 -2.771 3.530 1.00 0.00 C ATOM 1318 O THR A 93 -18.598 -3.255 4.144 1.00 0.00 O ATOM 1319 CB THR A 93 -20.005 -1.214 1.549 1.00 0.00 C ATOM 1320 OG1 THR A 93 -19.163 -1.931 0.682 1.00 0.00 O ATOM 1321 CG2 THR A 93 -20.066 0.232 1.059 1.00 0.00 C ATOM 0 H THR A 93 -17.535 -1.145 2.348 1.00 0.00 H new ATOM 0 HA THR A 93 -20.184 -0.770 3.618 1.00 0.00 H new ATOM 0 HB THR A 93 -21.020 -1.612 1.545 1.00 0.00 H new ATOM 0 HG1 THR A 93 -18.304 -1.465 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 93 -20.429 0.253 0.032 1.00 0.00 H new ATOM 0 HG22 THR A 93 -20.742 0.803 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 93 -19.070 0.673 1.100 1.00 0.00 H new ATOM 1329 N ARG A 94 -20.700 -3.403 3.334 1.00 0.00 N ATOM 1330 CA ARG A 94 -20.965 -4.800 3.588 1.00 0.00 C ATOM 1331 C ARG A 94 -21.732 -5.275 2.370 1.00 0.00 C ATOM 1332 O ARG A 94 -22.954 -5.114 2.313 1.00 0.00 O ATOM 1333 CB ARG A 94 -21.756 -4.940 4.894 1.00 0.00 C ATOM 1334 CG ARG A 94 -20.918 -4.636 6.144 1.00 0.00 C ATOM 1335 CD ARG A 94 -20.050 -5.848 6.508 1.00 0.00 C ATOM 1336 NE ARG A 94 -19.506 -5.763 7.868 1.00 0.00 N ATOM 1337 CZ ARG A 94 -18.574 -6.577 8.376 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -18.035 -7.563 7.663 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -18.190 -6.369 9.626 1.00 0.00 N ATOM 0 H ARG A 94 -21.519 -2.916 2.971 1.00 0.00 H new ATOM 0 HA ARG A 94 -20.067 -5.402 3.725 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -22.613 -4.267 4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -22.150 -5.954 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -20.285 -3.767 5.964 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -21.573 -4.385 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -20.644 -6.757 6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -19.228 -5.929 5.796 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.867 -5.026 8.473 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.331 -7.716 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.326 -8.166 8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.603 -5.609 10.167 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -17.481 -6.969 10.048 1.00 0.00 H new ATOM 1353 N MET A 95 -21.015 -5.712 1.340 1.00 0.00 N ATOM 1354 CA MET A 95 -21.571 -6.330 0.152 1.00 0.00 C ATOM 1355 C MET A 95 -21.131 -7.784 0.065 1.00 0.00 C ATOM 1356 O MET A 95 -20.138 -8.191 0.671 1.00 0.00 O ATOM 1357 CB MET A 95 -21.054 -5.630 -1.104 1.00 0.00 C ATOM 1358 CG MET A 95 -21.173 -4.113 -1.120 1.00 0.00 C ATOM 1359 SD MET A 95 -20.827 -3.447 -2.766 1.00 0.00 S ATOM 1360 CE MET A 95 -19.894 -1.956 -2.343 1.00 0.00 C ATOM 0 H MET A 95 -19.998 -5.641 1.313 1.00 0.00 H new ATOM 0 HA MET A 95 -22.656 -6.254 0.216 1.00 0.00 H new ATOM 0 HB2 MET A 95 -20.005 -5.894 -1.237 1.00 0.00 H new ATOM 0 HB3 MET A 95 -21.593 -6.026 -1.964 1.00 0.00 H new ATOM 0 HG2 MET A 95 -22.176 -3.821 -0.810 1.00 0.00 H new ATOM 0 HG3 MET A 95 -20.479 -3.683 -0.398 1.00 0.00 H new ATOM 0 HE1 MET A 95 -19.639 -1.415 -3.255 1.00 0.00 H new ATOM 0 HE2 MET A 95 -20.500 -1.318 -1.700 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.980 -2.235 -1.819 1.00 0.00 H new ATOM 1370 N ALA A 96 -21.812 -8.530 -0.796 1.00 0.00 N ATOM 1371 CA ALA A 96 -21.349 -9.807 -1.288 1.00 0.00 C ATOM 1372 C ALA A 96 -20.143 -9.622 -2.219 1.00 0.00 C ATOM 1373 O ALA A 96 -20.011 -8.635 -2.959 1.00 0.00 O ATOM 1374 CB ALA A 96 -22.515 -10.482 -2.010 1.00 0.00 C ATOM 0 H ALA A 96 -22.718 -8.253 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 96 -21.016 -10.436 -0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -22.194 -11.451 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -23.342 -10.623 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -22.842 -9.854 -2.839 1.00 0.00 H new ATOM 1380 N CYS A 97 -19.301 -10.643 -2.223 1.00 0.00 N ATOM 1381 CA CYS A 97 -18.251 -10.991 -3.159 1.00 0.00 C ATOM 1382 C CYS A 97 -18.219 -12.516 -3.233 1.00 0.00 C ATOM 1383 O CYS A 97 -18.517 -13.175 -2.238 1.00 0.00 O ATOM 1384 CB CYS A 97 -16.924 -10.370 -2.750 1.00 0.00 C ATOM 1385 SG CYS A 97 -16.797 -9.983 -1.013 1.00 0.00 S ATOM 0 H CYS A 97 -19.347 -11.333 -1.473 1.00 0.00 H new ATOM 0 HA CYS A 97 -18.445 -10.589 -4.153 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -16.119 -11.054 -3.017 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -16.771 -9.457 -3.326 1.00 0.00 H new ATOM 1390 N MET A 98 -17.883 -13.059 -4.406 1.00 0.00 N ATOM 1391 CA MET A 98 -17.845 -14.494 -4.712 1.00 0.00 C ATOM 1392 C MET A 98 -16.498 -14.855 -5.343 1.00 0.00 C ATOM 1393 O MET A 98 -16.389 -15.734 -6.200 1.00 0.00 O ATOM 1394 CB MET A 98 -19.033 -14.881 -5.611 1.00 0.00 C ATOM 1395 CG MET A 98 -19.071 -14.103 -6.933 1.00 0.00 C ATOM 1396 SD MET A 98 -20.316 -14.650 -8.129 1.00 0.00 S ATOM 1397 CE MET A 98 -21.840 -14.264 -7.227 1.00 0.00 C ATOM 0 H MET A 98 -17.618 -12.485 -5.206 1.00 0.00 H new ATOM 0 HA MET A 98 -17.941 -15.068 -3.790 1.00 0.00 H new ATOM 0 HB2 MET A 98 -18.984 -15.948 -5.827 1.00 0.00 H new ATOM 0 HB3 MET A 98 -19.962 -14.708 -5.068 1.00 0.00 H new ATOM 0 HG2 MET A 98 -19.246 -13.051 -6.709 1.00 0.00 H new ATOM 0 HG3 MET A 98 -18.089 -14.170 -7.402 1.00 0.00 H new ATOM 0 HE1 MET A 98 -22.701 -14.460 -7.866 1.00 0.00 H new ATOM 0 HE2 MET A 98 -21.902 -14.886 -6.334 1.00 0.00 H new ATOM 0 HE3 MET A 98 -21.835 -13.213 -6.938 1.00 0.00 H new ATOM 1407 N THR A 99 -15.471 -14.094 -4.984 1.00 0.00 N ATOM 1408 CA THR A 99 -14.169 -14.074 -5.612 1.00 0.00 C ATOM 1409 C THR A 99 -13.115 -14.162 -4.501 1.00 0.00 C ATOM 1410 O THR A 99 -13.393 -13.731 -3.372 1.00 0.00 O ATOM 1411 CB THR A 99 -14.067 -12.793 -6.462 1.00 0.00 C ATOM 1412 OG1 THR A 99 -14.096 -11.651 -5.625 1.00 0.00 O ATOM 1413 CG2 THR A 99 -15.253 -12.623 -7.416 1.00 0.00 C ATOM 0 H THR A 99 -15.535 -13.441 -4.203 1.00 0.00 H new ATOM 0 HA THR A 99 -14.006 -14.916 -6.284 1.00 0.00 H new ATOM 0 HB THR A 99 -13.137 -12.886 -7.023 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.029 -10.842 -6.173 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.129 -11.705 -7.990 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.297 -13.473 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 99 -16.178 -12.570 -6.841 1.00 0.00 H new ATOM 1421 N PRO A 100 -11.905 -14.672 -4.776 1.00 0.00 N ATOM 1422 CA PRO A 100 -10.853 -14.707 -3.771 1.00 0.00 C ATOM 1423 C PRO A 100 -10.433 -13.277 -3.427 1.00 0.00 C ATOM 1424 O PRO A 100 -10.311 -12.930 -2.252 1.00 0.00 O ATOM 1425 CB PRO A 100 -9.722 -15.539 -4.376 1.00 0.00 C ATOM 1426 CG PRO A 100 -9.934 -15.430 -5.887 1.00 0.00 C ATOM 1427 CD PRO A 100 -11.434 -15.179 -6.056 1.00 0.00 C ATOM 0 HA PRO A 100 -11.171 -15.159 -2.832 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.745 -15.154 -4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.769 -16.576 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.347 -14.615 -6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.626 -16.343 -6.396 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.621 -14.459 -6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.955 -16.097 -6.327 1.00 0.00 H new ATOM 1435 N GLY A 101 -10.315 -12.430 -4.457 1.00 0.00 N ATOM 1436 CA GLY A 101 -10.008 -11.018 -4.324 1.00 0.00 C ATOM 1437 C GLY A 101 -11.068 -10.242 -3.555 1.00 0.00 C ATOM 1438 O GLY A 101 -10.758 -9.158 -3.087 1.00 0.00 O ATOM 0 H GLY A 101 -10.435 -12.724 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.049 -10.908 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.897 -10.582 -5.317 1.00 0.00 H new ATOM 1442 N GLY A 102 -12.285 -10.765 -3.378 1.00 0.00 N ATOM 1443 CA GLY A 102 -13.228 -10.195 -2.454 1.00 0.00 C ATOM 1444 C GLY A 102 -12.756 -10.374 -1.018 1.00 0.00 C ATOM 1445 O GLY A 102 -12.657 -9.399 -0.289 1.00 0.00 O ATOM 0 H GLY A 102 -12.627 -11.588 -3.874 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.358 -9.134 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.201 -10.668 -2.583 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.491 -11.607 -0.585 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.409 -11.915 0.845 1.00 0.00 C ATOM 1451 C GLN A 103 -11.130 -11.390 1.498 1.00 0.00 C ATOM 1452 O GLN A 103 -11.069 -11.268 2.724 1.00 0.00 O ATOM 1453 CB GLN A 103 -12.503 -13.426 1.074 1.00 0.00 C ATOM 1454 CG GLN A 103 -13.731 -14.054 0.410 1.00 0.00 C ATOM 1455 CD GLN A 103 -14.019 -15.438 0.979 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -13.512 -16.438 0.476 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -14.830 -15.530 2.017 1.00 0.00 N ATOM 0 H GLN A 103 -12.330 -12.405 -1.199 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.252 -11.407 1.313 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.603 -13.904 0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.534 -13.625 2.145 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -14.597 -13.409 0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -13.569 -14.127 -0.665 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -15.240 -14.688 2.420 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -15.046 -16.444 2.416 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.108 -11.078 0.699 1.00 0.00 N ATOM 1467 CA ILE A 104 -8.893 -10.426 1.172 1.00 0.00 C ATOM 1468 C ILE A 104 -9.175 -8.989 1.647 1.00 0.00 C ATOM 1469 O ILE A 104 -8.353 -8.420 2.360 1.00 0.00 O ATOM 1470 CB ILE A 104 -7.799 -10.535 0.088 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.443 -10.040 0.628 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -8.187 -9.808 -1.209 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.253 -10.507 -0.208 1.00 0.00 C ATOM 0 H ILE A 104 -10.104 -11.274 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.514 -10.938 2.056 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.700 -11.590 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.449 -8.951 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.318 -10.390 1.653 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.385 -9.914 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.103 -10.243 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.349 -8.751 -0.999 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.330 -10.124 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.223 -11.597 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.356 -10.135 -1.227 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.344 -8.422 1.331 1.00 0.00 N ATOM 1486 CA GLU A 105 -10.811 -7.125 1.808 1.00 0.00 C ATOM 1487 C GLU A 105 -10.685 -7.010 3.325 1.00 0.00 C ATOM 1488 O GLU A 105 -10.193 -5.994 3.818 1.00 0.00 O ATOM 1489 CB GLU A 105 -12.259 -6.947 1.329 1.00 0.00 C ATOM 1490 CG GLU A 105 -12.997 -5.717 1.856 1.00 0.00 C ATOM 1491 CD GLU A 105 -13.913 -6.012 3.053 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -14.839 -6.853 2.930 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -13.809 -5.297 4.072 1.00 0.00 O ATOM 0 H GLU A 105 -11.014 -8.876 0.711 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.192 -6.325 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.257 -6.905 0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -12.825 -7.834 1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.266 -4.963 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.593 -5.289 1.050 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.059 -8.065 4.053 1.00 0.00 N ATOM 1501 CA GLY A 106 -10.971 -8.080 5.503 1.00 0.00 C ATOM 1502 C GLY A 106 -9.540 -7.875 5.980 1.00 0.00 C ATOM 1503 O GLY A 106 -9.317 -7.097 6.915 1.00 0.00 O ATOM 0 H GLY A 106 -11.429 -8.926 3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.608 -7.297 5.915 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.349 -9.030 5.881 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.569 -8.529 5.330 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.174 -8.354 5.680 1.00 0.00 C ATOM 1509 C ALA A 107 -6.700 -6.975 5.226 1.00 0.00 C ATOM 1510 O ALA A 107 -5.861 -6.379 5.898 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.331 -9.464 5.043 1.00 0.00 C ATOM 0 H ALA A 107 -8.734 -9.180 4.562 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.058 -8.420 6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.284 -9.325 5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -6.673 -10.434 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.436 -9.424 3.959 1.00 0.00 H new ATOM 1517 N TYR A 108 -7.191 -6.479 4.084 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.754 -5.227 3.487 1.00 0.00 C ATOM 1519 C TYR A 108 -7.063 -4.058 4.414 1.00 0.00 C ATOM 1520 O TYR A 108 -6.145 -3.304 4.740 1.00 0.00 O ATOM 1521 CB TYR A 108 -7.375 -5.014 2.099 1.00 0.00 C ATOM 1522 CG TYR A 108 -6.862 -3.743 1.452 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -7.501 -2.515 1.711 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -5.681 -3.768 0.687 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -6.967 -1.317 1.212 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -5.131 -2.567 0.203 1.00 0.00 C ATOM 1527 CZ TYR A 108 -5.768 -1.337 0.468 1.00 0.00 C ATOM 1528 OH TYR A 108 -5.216 -0.178 0.023 1.00 0.00 O ATOM 0 H TYR A 108 -7.917 -6.951 3.545 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.674 -5.281 3.350 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -7.145 -5.867 1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -8.460 -4.966 2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -8.408 -2.495 2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -5.197 -4.709 0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -7.473 -0.381 1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.218 -2.587 -0.373 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.921 0.410 -0.320 1.00 0.00 H new ATOM 1538 N LEU A 109 -8.328 -3.911 4.836 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.730 -2.902 5.810 1.00 0.00 C ATOM 1540 C LEU A 109 -7.850 -3.043 7.049 1.00 0.00 C ATOM 1541 O LEU A 109 -7.262 -2.056 7.493 1.00 0.00 O ATOM 1542 CB LEU A 109 -10.219 -3.047 6.193 1.00 0.00 C ATOM 1543 CG LEU A 109 -11.259 -2.273 5.358 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -11.082 -0.755 5.443 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -11.278 -2.682 3.886 1.00 0.00 C ATOM 0 H LEU A 109 -9.098 -4.493 4.507 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.604 -1.913 5.368 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.474 -4.106 6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.328 -2.738 7.233 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.214 -2.546 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.843 -0.265 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.184 -0.434 6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.093 -0.483 5.075 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -12.032 -2.099 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.299 -2.496 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.517 -3.742 3.806 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.717 -4.261 7.587 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.929 -4.500 8.793 1.00 0.00 C ATOM 1559 C ASN A 110 -5.500 -3.988 8.630 1.00 0.00 C ATOM 1560 O ASN A 110 -4.980 -3.304 9.503 1.00 0.00 O ATOM 1561 CB ASN A 110 -6.891 -5.992 9.146 1.00 0.00 C ATOM 1562 CG ASN A 110 -6.648 -6.183 10.636 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -7.568 -6.541 11.364 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -5.442 -5.951 11.126 1.00 0.00 N ATOM 0 H ASN A 110 -8.150 -5.099 7.200 1.00 0.00 H new ATOM 0 HA ASN A 110 -7.414 -3.954 9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.832 -6.463 8.862 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -6.103 -6.486 8.577 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -5.265 -6.069 12.124 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -4.688 -5.654 10.506 1.00 0.00 H new ATOM 1571 N ALA A 111 -4.850 -4.327 7.522 1.00 0.00 N ATOM 1572 CA ALA A 111 -3.450 -4.039 7.277 1.00 0.00 C ATOM 1573 C ALA A 111 -3.173 -2.543 7.091 1.00 0.00 C ATOM 1574 O ALA A 111 -2.047 -2.116 7.346 1.00 0.00 O ATOM 1575 CB ALA A 111 -3.013 -4.855 6.062 1.00 0.00 C ATOM 0 H ALA A 111 -5.298 -4.823 6.752 1.00 0.00 H new ATOM 0 HA ALA A 111 -2.866 -4.324 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.961 -4.660 5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -3.151 -5.916 6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.615 -4.572 5.198 1.00 0.00 H new ATOM 1581 N LEU A 112 -4.161 -1.727 6.705 1.00 0.00 N ATOM 1582 CA LEU A 112 -3.976 -0.273 6.659 1.00 0.00 C ATOM 1583 C LEU A 112 -3.938 0.353 8.058 1.00 0.00 C ATOM 1584 O LEU A 112 -3.508 1.495 8.196 1.00 0.00 O ATOM 1585 CB LEU A 112 -5.078 0.412 5.835 1.00 0.00 C ATOM 1586 CG LEU A 112 -5.048 0.176 4.312 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -6.058 1.119 3.650 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -3.672 0.445 3.692 1.00 0.00 C ATOM 0 H LEU A 112 -5.088 -2.045 6.423 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.011 -0.111 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.044 0.077 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.020 1.486 6.015 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.291 -0.873 4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.048 0.963 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.056 0.913 4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.789 2.152 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.715 0.262 2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.388 1.482 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.933 -0.217 4.144 1.00 0.00 H new ATOM 1600 N THR A 113 -4.357 -0.361 9.104 1.00 0.00 N ATOM 1601 CA THR A 113 -4.382 0.170 10.469 1.00 0.00 C ATOM 1602 C THR A 113 -3.007 0.019 11.157 1.00 0.00 C ATOM 1603 O THR A 113 -2.861 0.335 12.343 1.00 0.00 O ATOM 1604 CB THR A 113 -5.568 -0.447 11.246 1.00 0.00 C ATOM 1605 OG1 THR A 113 -5.406 -1.807 11.578 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.895 -0.295 10.501 1.00 0.00 C ATOM 0 H THR A 113 -4.688 -1.323 9.030 1.00 0.00 H new ATOM 0 HA THR A 113 -4.557 1.246 10.449 1.00 0.00 H new ATOM 0 HB THR A 113 -5.586 0.127 12.173 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.393 -2.345 10.759 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.696 -0.744 11.088 1.00 0.00 H new ATOM 0 HG22 THR A 113 -7.107 0.763 10.348 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.829 -0.795 9.535 1.00 0.00 H new ATOM 1614 N HIS A 114 -1.998 -0.466 10.422 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.678 -0.861 10.885 1.00 0.00 C ATOM 1616 C HIS A 114 0.376 -0.258 9.940 1.00 0.00 C ATOM 1617 O HIS A 114 0.893 -0.977 9.082 1.00 0.00 O ATOM 1618 CB HIS A 114 -0.594 -2.405 10.872 1.00 0.00 C ATOM 1619 CG HIS A 114 -1.286 -3.146 11.979 1.00 0.00 C ATOM 1620 ND1 HIS A 114 -0.665 -3.876 12.962 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -2.623 -3.397 12.069 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -1.606 -4.523 13.655 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -2.829 -4.257 13.155 1.00 0.00 N ATOM 0 H HIS A 114 -2.099 -0.599 9.416 1.00 0.00 H new ATOM 0 HA HIS A 114 -0.496 -0.501 11.898 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -1.003 -2.756 9.925 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.459 -2.685 10.887 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -3.389 -3.002 11.418 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -1.414 -5.169 14.499 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -3.722 -4.610 13.498 1.00 0.00 H new ATOM 1631 N ILE A 115 0.742 1.021 10.096 1.00 0.00 N ATOM 1632 CA ILE A 115 1.792 1.659 9.294 1.00 0.00 C ATOM 1633 C ILE A 115 2.941 2.113 10.202 1.00 0.00 C ATOM 1634 O ILE A 115 3.375 3.262 10.149 1.00 0.00 O ATOM 1635 CB ILE A 115 1.241 2.808 8.411 1.00 0.00 C ATOM 1636 CG1 ILE A 115 -0.192 2.605 7.867 1.00 0.00 C ATOM 1637 CG2 ILE A 115 2.232 3.060 7.254 1.00 0.00 C ATOM 1638 CD1 ILE A 115 -0.354 1.501 6.817 1.00 0.00 C ATOM 0 H ILE A 115 0.317 1.643 10.784 1.00 0.00 H new ATOM 0 HA ILE A 115 2.186 0.920 8.596 1.00 0.00 H new ATOM 0 HB ILE A 115 1.155 3.677 9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.851 2.382 8.706 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.533 3.545 7.434 1.00 0.00 H new ATOM 0 HG21 ILE A 115 1.858 3.866 6.623 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.204 3.339 7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.335 2.152 6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -1.397 1.445 6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 115 0.271 1.726 5.953 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -0.052 0.545 7.245 1.00 0.00 H new ATOM 1650 N ASP A 116 3.465 1.219 11.043 1.00 0.00 N ATOM 1651 CA ASP A 116 4.608 1.552 11.899 1.00 0.00 C ATOM 1652 C ASP A 116 5.839 1.911 11.077 1.00 0.00 C ATOM 1653 O ASP A 116 6.668 2.730 11.485 1.00 0.00 O ATOM 1654 CB ASP A 116 5.004 0.396 12.821 1.00 0.00 C ATOM 1655 CG ASP A 116 5.853 0.950 13.968 1.00 0.00 C ATOM 1656 OD1 ASP A 116 5.327 1.738 14.795 1.00 0.00 O ATOM 1657 OD2 ASP A 116 7.056 0.622 14.018 1.00 0.00 O ATOM 0 H ASP A 116 3.120 0.265 11.150 1.00 0.00 H new ATOM 0 HA ASP A 116 4.280 2.404 12.494 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.114 -0.096 13.213 1.00 0.00 H new ATOM 0 HB3 ASP A 116 5.565 -0.355 12.265 1.00 0.00 H new ATOM 1662 N ARG A 117 5.957 1.271 9.915 1.00 0.00 N ATOM 1663 CA ARG A 117 7.088 1.374 9.017 1.00 0.00 C ATOM 1664 C ARG A 117 6.602 1.706 7.611 1.00 0.00 C ATOM 1665 O ARG A 117 5.407 1.678 7.309 1.00 0.00 O ATOM 1666 CB ARG A 117 7.877 0.065 9.070 1.00 0.00 C ATOM 1667 CG ARG A 117 8.737 -0.128 10.324 1.00 0.00 C ATOM 1668 CD ARG A 117 10.185 -0.490 9.974 1.00 0.00 C ATOM 1669 NE ARG A 117 10.756 0.557 9.120 1.00 0.00 N ATOM 1670 CZ ARG A 117 11.914 0.591 8.472 1.00 0.00 C ATOM 1671 NH1 ARG A 117 12.790 -0.403 8.531 1.00 0.00 N ATOM 1672 NH2 ARG A 117 12.154 1.656 7.721 1.00 0.00 N ATOM 0 H ARG A 117 5.233 0.643 9.566 1.00 0.00 H new ATOM 0 HA ARG A 117 7.753 2.182 9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.176 -0.766 8.998 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.524 0.013 8.194 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.725 0.787 10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.305 -0.915 10.943 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.776 -0.595 10.884 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.217 -1.451 9.461 1.00 0.00 H new ATOM 0 HE ARG A 117 10.174 1.387 9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.584 -1.232 9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.669 -0.339 8.018 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.463 2.404 7.660 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.030 1.728 7.204 1.00 0.00 H new ATOM 1686 N THR A 118 7.526 2.073 6.726 1.00 0.00 N ATOM 1687 CA THR A 118 7.133 2.723 5.478 1.00 0.00 C ATOM 1688 C THR A 118 8.284 2.669 4.452 1.00 0.00 C ATOM 1689 O THR A 118 9.337 2.098 4.756 1.00 0.00 O ATOM 1690 CB THR A 118 6.670 4.139 5.883 1.00 0.00 C ATOM 1691 OG1 THR A 118 5.743 4.673 4.971 1.00 0.00 O ATOM 1692 CG2 THR A 118 7.826 5.126 6.019 1.00 0.00 C ATOM 0 H THR A 118 8.530 1.936 6.844 1.00 0.00 H new ATOM 0 HA THR A 118 6.314 2.222 4.961 1.00 0.00 H new ATOM 0 HB THR A 118 6.198 4.009 6.857 1.00 0.00 H new ATOM 0 HG1 THR A 118 5.241 5.396 5.401 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.438 6.104 6.305 1.00 0.00 H new ATOM 0 HG22 THR A 118 8.518 4.772 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.348 5.208 5.066 1.00 0.00 H new ATOM 1700 N GLY A 119 8.110 3.237 3.249 1.00 0.00 N ATOM 1701 CA GLY A 119 9.108 3.175 2.184 1.00 0.00 C ATOM 1702 C GLY A 119 8.628 3.729 0.837 1.00 0.00 C ATOM 1703 O GLY A 119 8.437 2.960 -0.096 1.00 0.00 O ATOM 0 H GLY A 119 7.268 3.753 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.992 3.730 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.414 2.138 2.049 1.00 0.00 H new ATOM 1707 N VAL A 120 8.416 5.038 0.672 1.00 0.00 N ATOM 1708 CA VAL A 120 8.147 5.600 -0.661 1.00 0.00 C ATOM 1709 C VAL A 120 9.473 5.882 -1.360 1.00 0.00 C ATOM 1710 O VAL A 120 10.419 6.378 -0.746 1.00 0.00 O ATOM 1711 CB VAL A 120 7.222 6.822 -0.623 1.00 0.00 C ATOM 1712 CG1 VAL A 120 7.627 7.800 0.471 1.00 0.00 C ATOM 1713 CG2 VAL A 120 7.134 7.508 -2.005 1.00 0.00 C ATOM 0 H VAL A 120 8.424 5.721 1.429 1.00 0.00 H new ATOM 0 HA VAL A 120 7.595 4.862 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 120 6.222 6.466 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.948 8.653 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 120 7.578 7.303 1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 120 8.645 8.146 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 120 6.470 8.370 -1.942 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.127 7.836 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 120 6.743 6.802 -2.737 1.00 0.00 H new ATOM 1723 N GLN A 121 9.514 5.634 -2.668 1.00 0.00 N ATOM 1724 CA GLN A 121 10.573 6.101 -3.535 1.00 0.00 C ATOM 1725 C GLN A 121 9.997 7.253 -4.358 1.00 0.00 C ATOM 1726 O GLN A 121 9.336 7.025 -5.373 1.00 0.00 O ATOM 1727 CB GLN A 121 11.053 4.926 -4.385 1.00 0.00 C ATOM 1728 CG GLN A 121 12.240 5.300 -5.280 1.00 0.00 C ATOM 1729 CD GLN A 121 12.624 4.115 -6.154 1.00 0.00 C ATOM 1730 OE1 GLN A 121 13.751 3.622 -6.107 1.00 0.00 O ATOM 1731 NE2 GLN A 121 11.666 3.644 -6.928 1.00 0.00 N ATOM 0 H GLN A 121 8.798 5.094 -3.154 1.00 0.00 H new ATOM 0 HA GLN A 121 11.443 6.471 -2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 121 11.339 4.101 -3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 121 10.231 4.570 -5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 121 11.980 6.155 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 121 13.089 5.600 -4.666 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.748 4.088 -6.931 1.00 0.00 H new ATOM 0 HE22 GLN A 121 11.843 2.835 -7.524 1.00 0.00 H new ATOM 1740 N MET A 122 10.216 8.498 -3.925 1.00 0.00 N ATOM 1741 CA MET A 122 9.886 9.697 -4.696 1.00 0.00 C ATOM 1742 C MET A 122 11.020 9.943 -5.692 1.00 0.00 C ATOM 1743 O MET A 122 11.730 10.957 -5.642 1.00 0.00 O ATOM 1744 CB MET A 122 9.640 10.885 -3.757 1.00 0.00 C ATOM 1745 CG MET A 122 9.051 12.127 -4.440 1.00 0.00 C ATOM 1746 SD MET A 122 7.420 11.938 -5.223 1.00 0.00 S ATOM 1747 CE MET A 122 6.456 11.197 -3.875 1.00 0.00 C ATOM 0 H MET A 122 10.633 8.703 -3.017 1.00 0.00 H new ATOM 0 HA MET A 122 8.960 9.564 -5.256 1.00 0.00 H new ATOM 0 HB2 MET A 122 8.965 10.569 -2.962 1.00 0.00 H new ATOM 0 HB3 MET A 122 10.583 11.159 -3.284 1.00 0.00 H new ATOM 0 HG2 MET A 122 8.981 12.922 -3.697 1.00 0.00 H new ATOM 0 HG3 MET A 122 9.756 12.463 -5.201 1.00 0.00 H new ATOM 0 HE1 MET A 122 5.431 11.567 -3.914 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.455 10.112 -3.982 1.00 0.00 H new ATOM 0 HE3 MET A 122 6.902 11.466 -2.918 1.00 0.00 H new ATOM 1757 N ARG A 123 11.240 8.969 -6.578 1.00 0.00 N ATOM 1758 CA ARG A 123 12.257 9.034 -7.606 1.00 0.00 C ATOM 1759 C ARG A 123 11.817 8.094 -8.709 1.00 0.00 C ATOM 1760 O ARG A 123 11.730 6.896 -8.464 1.00 0.00 O ATOM 1761 CB ARG A 123 13.612 8.632 -6.993 1.00 0.00 C ATOM 1762 CG ARG A 123 14.780 9.277 -7.734 1.00 0.00 C ATOM 1763 CD ARG A 123 15.396 8.404 -8.828 1.00 0.00 C ATOM 1764 NE ARG A 123 16.636 9.045 -9.281 1.00 0.00 N ATOM 1765 CZ ARG A 123 17.814 8.993 -8.652 1.00 0.00 C ATOM 1766 NH1 ARG A 123 18.057 8.110 -7.681 1.00 0.00 N ATOM 1767 NH2 ARG A 123 18.781 9.833 -8.997 1.00 0.00 N ATOM 0 H ARG A 123 10.702 8.102 -6.593 1.00 0.00 H new ATOM 0 HA ARG A 123 12.380 10.036 -8.017 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.639 8.927 -5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.717 7.547 -7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 123 14.439 10.211 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 123 15.555 9.533 -7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 123 15.602 7.404 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 123 14.701 8.290 -9.660 1.00 0.00 H new ATOM 0 HE ARG A 123 16.595 9.576 -10.151 1.00 0.00 H new ATOM 0 HH11 ARG A 123 17.333 7.449 -7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 123 18.967 8.096 -7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 123 18.624 10.515 -9.739 1.00 0.00 H new ATOM 0 HH22 ARG A 123 19.682 9.797 -8.520 1.00 0.00 H new ATOM 1781 N ALA A 124 11.424 8.640 -9.859 1.00 0.00 N ATOM 1782 CA ALA A 124 11.010 7.861 -11.016 1.00 0.00 C ATOM 1783 C ALA A 124 12.027 6.742 -11.318 1.00 0.00 C ATOM 1784 O ALA A 124 13.224 7.048 -11.384 1.00 0.00 O ATOM 1785 CB ALA A 124 10.826 8.782 -12.215 1.00 0.00 C ATOM 0 H ALA A 124 11.385 9.648 -10.011 1.00 0.00 H new ATOM 0 HA ALA A 124 10.056 7.381 -10.798 1.00 0.00 H new ATOM 0 HB1 ALA A 124 10.516 8.196 -13.080 1.00 0.00 H new ATOM 0 HB2 ALA A 124 10.062 9.526 -11.988 1.00 0.00 H new ATOM 0 HB3 ALA A 124 11.768 9.284 -12.436 1.00 0.00 H new ATOM 1791 N PRO A 125 11.588 5.488 -11.542 1.00 0.00 N ATOM 1792 CA PRO A 125 10.199 5.036 -11.515 1.00 0.00 C ATOM 1793 C PRO A 125 9.659 4.983 -10.083 1.00 0.00 C ATOM 1794 O PRO A 125 10.197 4.298 -9.219 1.00 0.00 O ATOM 1795 CB PRO A 125 10.198 3.644 -12.152 1.00 0.00 C ATOM 1796 CG PRO A 125 11.609 3.123 -11.886 1.00 0.00 C ATOM 1797 CD PRO A 125 12.474 4.383 -11.873 1.00 0.00 C ATOM 0 HA PRO A 125 9.551 5.724 -12.058 1.00 0.00 H new ATOM 0 HB2 PRO A 125 9.442 2.999 -11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 125 9.984 3.692 -13.220 1.00 0.00 H new ATOM 0 HG2 PRO A 125 11.665 2.591 -10.936 1.00 0.00 H new ATOM 0 HG3 PRO A 125 11.930 2.427 -12.661 1.00 0.00 H new ATOM 0 HD2 PRO A 125 13.276 4.296 -11.140 1.00 0.00 H new ATOM 0 HD3 PRO A 125 12.945 4.540 -12.843 1.00 0.00 H new ATOM 1805 N GLN A 126 8.607 5.751 -9.813 1.00 0.00 N ATOM 1806 CA GLN A 126 8.050 5.881 -8.482 1.00 0.00 C ATOM 1807 C GLN A 126 7.210 4.650 -8.183 1.00 0.00 C ATOM 1808 O GLN A 126 6.413 4.192 -9.006 1.00 0.00 O ATOM 1809 CB GLN A 126 7.252 7.185 -8.352 1.00 0.00 C ATOM 1810 CG GLN A 126 8.250 8.359 -8.315 1.00 0.00 C ATOM 1811 CD GLN A 126 7.714 9.694 -8.788 1.00 0.00 C ATOM 1812 OE1 GLN A 126 8.285 10.338 -9.663 1.00 0.00 O ATOM 1813 NE2 GLN A 126 6.676 10.188 -8.158 1.00 0.00 N ATOM 0 H GLN A 126 8.119 6.301 -10.520 1.00 0.00 H new ATOM 0 HA GLN A 126 8.849 5.939 -7.742 1.00 0.00 H new ATOM 0 HB2 GLN A 126 6.566 7.296 -9.192 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.647 7.172 -7.445 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.609 8.474 -7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 126 9.113 8.097 -8.928 1.00 0.00 H new ATOM 0 HE21 GLN A 126 6.212 9.641 -7.433 1.00 0.00 H new ATOM 0 HE22 GLN A 126 6.333 11.119 -8.393 1.00 0.00 H new ATOM 1822 N GLN A 127 7.393 4.167 -6.965 1.00 0.00 N ATOM 1823 CA GLN A 127 6.644 3.122 -6.304 1.00 0.00 C ATOM 1824 C GLN A 127 6.505 3.572 -4.852 1.00 0.00 C ATOM 1825 O GLN A 127 7.211 4.480 -4.391 1.00 0.00 O ATOM 1826 CB GLN A 127 7.390 1.777 -6.365 1.00 0.00 C ATOM 1827 CG GLN A 127 7.538 1.180 -7.773 1.00 0.00 C ATOM 1828 CD GLN A 127 8.173 -0.205 -7.684 1.00 0.00 C ATOM 1829 OE1 GLN A 127 9.351 -0.394 -7.962 1.00 0.00 O ATOM 1830 NE2 GLN A 127 7.440 -1.210 -7.237 1.00 0.00 N ATOM 0 H GLN A 127 8.134 4.530 -6.366 1.00 0.00 H new ATOM 0 HA GLN A 127 5.678 2.970 -6.785 1.00 0.00 H new ATOM 0 HB2 GLN A 127 8.384 1.910 -5.937 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.865 1.059 -5.735 1.00 0.00 H new ATOM 0 HG2 GLN A 127 6.562 1.112 -8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 127 8.153 1.833 -8.392 1.00 0.00 H new ATOM 0 HE21 GLN A 127 6.458 -1.061 -7.003 1.00 0.00 H new ATOM 0 HE22 GLN A 127 7.856 -2.135 -7.126 1.00 0.00 H new ATOM 1839 N MET A 128 5.614 2.921 -4.121 1.00 0.00 N ATOM 1840 CA MET A 128 5.436 3.139 -2.701 1.00 0.00 C ATOM 1841 C MET A 128 5.427 1.774 -2.051 1.00 0.00 C ATOM 1842 O MET A 128 4.660 0.900 -2.452 1.00 0.00 O ATOM 1843 CB MET A 128 4.140 3.905 -2.443 1.00 0.00 C ATOM 1844 CG MET A 128 3.886 4.121 -0.945 1.00 0.00 C ATOM 1845 SD MET A 128 2.304 4.900 -0.506 1.00 0.00 S ATOM 1846 CE MET A 128 1.148 3.932 -1.493 1.00 0.00 C ATOM 0 H MET A 128 4.986 2.216 -4.507 1.00 0.00 H new ATOM 0 HA MET A 128 6.239 3.745 -2.282 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.184 4.871 -2.946 1.00 0.00 H new ATOM 0 HB3 MET A 128 3.303 3.358 -2.877 1.00 0.00 H new ATOM 0 HG2 MET A 128 3.943 3.154 -0.445 1.00 0.00 H new ATOM 0 HG3 MET A 128 4.693 4.735 -0.545 1.00 0.00 H new ATOM 0 HE1 MET A 128 0.131 4.273 -1.300 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.378 4.058 -2.551 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.235 2.879 -1.226 1.00 0.00 H new ATOM 1856 N GLN A 129 6.239 1.590 -1.023 1.00 0.00 N ATOM 1857 CA GLN A 129 6.198 0.439 -0.149 1.00 0.00 C ATOM 1858 C GLN A 129 5.743 0.906 1.234 1.00 0.00 C ATOM 1859 O GLN A 129 5.995 2.043 1.639 1.00 0.00 O ATOM 1860 CB GLN A 129 7.538 -0.310 -0.221 1.00 0.00 C ATOM 1861 CG GLN A 129 7.439 -1.259 -1.433 1.00 0.00 C ATOM 1862 CD GLN A 129 8.740 -1.902 -1.887 1.00 0.00 C ATOM 1863 OE1 GLN A 129 9.140 -1.790 -3.044 1.00 0.00 O ATOM 1864 NE2 GLN A 129 9.408 -2.637 -1.021 1.00 0.00 N ATOM 0 H GLN A 129 6.965 2.260 -0.770 1.00 0.00 H new ATOM 0 HA GLN A 129 5.466 -0.307 -0.457 1.00 0.00 H new ATOM 0 HB2 GLN A 129 8.367 0.387 -0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.721 -0.869 0.697 1.00 0.00 H new ATOM 0 HG2 GLN A 129 6.731 -2.051 -1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 129 7.021 -0.702 -2.271 1.00 0.00 H new ATOM 0 HE21 GLN A 129 9.072 -2.727 -0.062 1.00 0.00 H new ATOM 0 HE22 GLN A 129 10.261 -3.116 -1.310 1.00 0.00 H new ATOM 1873 N LEU A 130 5.007 0.054 1.939 1.00 0.00 N ATOM 1874 CA LEU A 130 4.436 0.284 3.256 1.00 0.00 C ATOM 1875 C LEU A 130 4.734 -0.992 4.022 1.00 0.00 C ATOM 1876 O LEU A 130 4.673 -2.080 3.441 1.00 0.00 O ATOM 1877 CB LEU A 130 2.916 0.541 3.188 1.00 0.00 C ATOM 1878 CG LEU A 130 2.479 1.940 2.693 1.00 0.00 C ATOM 1879 CD1 LEU A 130 0.949 2.031 2.672 1.00 0.00 C ATOM 1880 CD2 LEU A 130 3.035 3.081 3.556 1.00 0.00 C ATOM 0 H LEU A 130 4.780 -0.874 1.581 1.00 0.00 H new ATOM 0 HA LEU A 130 4.858 1.170 3.730 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.471 -0.208 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 130 2.498 0.384 4.182 1.00 0.00 H new ATOM 0 HG LEU A 130 2.887 2.057 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.648 3.019 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.548 1.271 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.561 1.868 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.694 4.037 3.159 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.682 2.967 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 130 4.124 3.050 3.542 1.00 0.00 H new ATOM 1892 N VAL A 131 5.101 -0.869 5.293 1.00 0.00 N ATOM 1893 CA VAL A 131 5.651 -1.973 6.061 1.00 0.00 C ATOM 1894 C VAL A 131 4.852 -2.045 7.351 1.00 0.00 C ATOM 1895 O VAL A 131 4.699 -1.046 8.057 1.00 0.00 O ATOM 1896 CB VAL A 131 7.149 -1.760 6.311 1.00 0.00 C ATOM 1897 CG1 VAL A 131 7.765 -2.817 7.244 1.00 0.00 C ATOM 1898 CG2 VAL A 131 7.991 -1.727 5.042 1.00 0.00 C ATOM 0 H VAL A 131 5.024 0.002 5.818 1.00 0.00 H new ATOM 0 HA VAL A 131 5.571 -2.918 5.524 1.00 0.00 H new ATOM 0 HB VAL A 131 7.178 -0.779 6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 131 8.826 -2.609 7.379 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.263 -2.786 8.211 1.00 0.00 H new ATOM 0 HG13 VAL A 131 7.643 -3.807 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 131 9.038 -1.573 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.885 -2.673 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 131 7.653 -0.912 4.402 1.00 0.00 H new ATOM 1908 N LEU A 132 4.311 -3.221 7.640 1.00 0.00 N ATOM 1909 CA LEU A 132 3.590 -3.429 8.886 1.00 0.00 C ATOM 1910 C LEU A 132 4.596 -3.511 10.025 1.00 0.00 C ATOM 1911 O LEU A 132 5.785 -3.763 9.843 1.00 0.00 O ATOM 1912 CB LEU A 132 2.686 -4.675 8.810 1.00 0.00 C ATOM 1913 CG LEU A 132 1.292 -4.342 8.246 1.00 0.00 C ATOM 1914 CD1 LEU A 132 1.350 -3.666 6.879 1.00 0.00 C ATOM 1915 CD2 LEU A 132 0.394 -5.579 8.184 1.00 0.00 C ATOM 0 H LEU A 132 4.358 -4.039 7.033 1.00 0.00 H new ATOM 0 HA LEU A 132 2.923 -2.587 9.070 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.160 -5.429 8.182 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.581 -5.108 9.805 1.00 0.00 H new ATOM 0 HG LEU A 132 0.855 -3.629 8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.338 -3.456 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.907 -2.733 6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.846 -4.326 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.580 -5.302 7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.853 -6.330 7.541 1.00 0.00 H new ATOM 0 HD23 LEU A 132 0.268 -5.988 9.186 1.00 0.00 H new ATOM 1927 N ASP A 133 4.079 -3.407 11.236 1.00 0.00 N ATOM 1928 CA ASP A 133 4.789 -3.719 12.473 1.00 0.00 C ATOM 1929 C ASP A 133 5.273 -5.173 12.444 1.00 0.00 C ATOM 1930 O ASP A 133 6.402 -5.440 12.841 1.00 0.00 O ATOM 1931 CB ASP A 133 3.929 -3.443 13.717 1.00 0.00 C ATOM 1932 CG ASP A 133 2.484 -3.950 13.681 1.00 0.00 C ATOM 1933 OD1 ASP A 133 2.028 -4.443 12.627 1.00 0.00 O ATOM 1934 OD2 ASP A 133 1.752 -3.697 14.666 1.00 0.00 O ATOM 0 H ASP A 133 3.122 -3.093 11.396 1.00 0.00 H new ATOM 0 HA ASP A 133 5.655 -3.060 12.541 1.00 0.00 H new ATOM 0 HB2 ASP A 133 4.425 -3.889 14.579 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.908 -2.366 13.884 1.00 0.00 H new ATOM 1939 N ASN A 134 4.485 -6.082 11.856 1.00 0.00 N ATOM 1940 CA ASN A 134 4.795 -7.498 11.680 1.00 0.00 C ATOM 1941 C ASN A 134 5.870 -7.680 10.620 1.00 0.00 C ATOM 1942 O ASN A 134 6.463 -8.754 10.538 1.00 0.00 O ATOM 1943 CB ASN A 134 3.574 -8.298 11.180 1.00 0.00 C ATOM 1944 CG ASN A 134 2.275 -7.933 11.869 1.00 0.00 C ATOM 1945 OD1 ASN A 134 1.457 -7.129 11.222 1.00 0.00 O flip ATOM 1946 ND2 ASN A 134 2.000 -8.362 12.983 1.00 0.00 N flip ATOM 0 H ASN A 134 3.572 -5.834 11.474 1.00 0.00 H new ATOM 0 HA ASN A 134 5.117 -7.858 12.657 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.462 -8.138 10.108 1.00 0.00 H new ATOM 0 HB3 ASN A 134 3.765 -9.361 11.326 1.00 0.00 H new ATOM 0 HD21 ASN A 134 2.650 -8.984 13.465 1.00 0.00 H new ATOM 0 HD22 ASN A 134 1.121 -8.098 13.429 1.00 0.00 H new ATOM 1953 N GLY A 135 6.065 -6.677 9.758 1.00 0.00 N ATOM 1954 CA GLY A 135 7.031 -6.748 8.690 1.00 0.00 C ATOM 1955 C GLY A 135 6.464 -7.236 7.358 1.00 0.00 C ATOM 1956 O GLY A 135 7.253 -7.544 6.466 1.00 0.00 O ATOM 0 H GLY A 135 5.550 -5.797 9.793 1.00 0.00 H new ATOM 0 HA2 GLY A 135 7.468 -5.760 8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 135 7.840 -7.413 8.992 1.00 0.00 H new ATOM 1960 N ASP A 136 5.137 -7.316 7.181 1.00 0.00 N ATOM 1961 CA ASP A 136 4.566 -7.455 5.830 1.00 0.00 C ATOM 1962 C ASP A 136 4.993 -6.221 5.021 1.00 0.00 C ATOM 1963 O ASP A 136 5.036 -5.133 5.593 1.00 0.00 O ATOM 1964 CB ASP A 136 3.024 -7.507 5.840 1.00 0.00 C ATOM 1965 CG ASP A 136 2.374 -8.805 6.334 1.00 0.00 C ATOM 1966 OD1 ASP A 136 3.087 -9.777 6.662 1.00 0.00 O ATOM 1967 OD2 ASP A 136 1.117 -8.846 6.330 1.00 0.00 O ATOM 0 H ASP A 136 4.451 -7.288 7.936 1.00 0.00 H new ATOM 0 HA ASP A 136 4.927 -8.390 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 136 2.662 -6.689 6.462 1.00 0.00 H new ATOM 0 HB3 ASP A 136 2.672 -7.317 4.826 1.00 0.00 H new ATOM 1972 N THR A 137 5.243 -6.351 3.714 1.00 0.00 N ATOM 1973 CA THR A 137 5.705 -5.273 2.837 1.00 0.00 C ATOM 1974 C THR A 137 4.745 -5.146 1.646 1.00 0.00 C ATOM 1975 O THR A 137 4.827 -5.894 0.663 1.00 0.00 O ATOM 1976 CB THR A 137 7.165 -5.505 2.401 1.00 0.00 C ATOM 1977 OG1 THR A 137 7.984 -5.823 3.509 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.756 -4.271 1.708 1.00 0.00 C ATOM 0 H THR A 137 5.125 -7.237 3.223 1.00 0.00 H new ATOM 0 HA THR A 137 5.697 -4.327 3.378 1.00 0.00 H new ATOM 0 HB THR A 137 7.145 -6.339 1.699 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.904 -5.967 3.205 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.786 -4.476 1.416 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.168 -4.035 0.821 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.735 -3.424 2.393 1.00 0.00 H new ATOM 1986 N LEU A 138 3.789 -4.222 1.729 1.00 0.00 N ATOM 1987 CA LEU A 138 2.843 -3.941 0.653 1.00 0.00 C ATOM 1988 C LEU A 138 3.522 -3.022 -0.354 1.00 0.00 C ATOM 1989 O LEU A 138 4.061 -1.988 0.031 1.00 0.00 O ATOM 1990 CB LEU A 138 1.554 -3.312 1.209 1.00 0.00 C ATOM 1991 CG LEU A 138 0.673 -4.352 1.934 1.00 0.00 C ATOM 1992 CD1 LEU A 138 0.922 -4.339 3.445 1.00 0.00 C ATOM 1993 CD2 LEU A 138 -0.815 -4.144 1.640 1.00 0.00 C ATOM 0 H LEU A 138 3.649 -3.641 2.556 1.00 0.00 H new ATOM 0 HA LEU A 138 2.554 -4.868 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.811 -2.509 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 138 0.988 -2.862 0.393 1.00 0.00 H new ATOM 0 HG LEU A 138 0.958 -5.330 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 138 0.286 -5.083 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 138 1.968 -4.574 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 138 0.690 -3.351 3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -1.399 -4.897 2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -1.116 -3.151 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.990 -4.236 0.568 1.00 0.00 H new ATOM 2005 N THR A 139 3.511 -3.395 -1.631 1.00 0.00 N ATOM 2006 CA THR A 139 4.178 -2.716 -2.737 1.00 0.00 C ATOM 2007 C THR A 139 3.088 -2.170 -3.674 1.00 0.00 C ATOM 2008 O THR A 139 2.275 -2.940 -4.195 1.00 0.00 O ATOM 2009 CB THR A 139 5.105 -3.716 -3.442 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.982 -4.306 -2.488 1.00 0.00 O ATOM 2011 CG2 THR A 139 5.924 -3.019 -4.528 1.00 0.00 C ATOM 0 H THR A 139 3.007 -4.227 -1.939 1.00 0.00 H new ATOM 0 HA THR A 139 4.793 -1.883 -2.397 1.00 0.00 H new ATOM 0 HB THR A 139 4.494 -4.489 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 139 6.572 -4.946 -2.938 1.00 0.00 H new ATOM 0 HG21 THR A 139 6.574 -3.745 -5.016 1.00 0.00 H new ATOM 0 HG22 THR A 139 5.252 -2.581 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 139 6.531 -2.233 -4.078 1.00 0.00 H new ATOM 2019 N PHE A 140 3.033 -0.850 -3.853 1.00 0.00 N ATOM 2020 CA PHE A 140 2.089 -0.161 -4.719 1.00 0.00 C ATOM 2021 C PHE A 140 2.861 0.503 -5.859 1.00 0.00 C ATOM 2022 O PHE A 140 3.986 0.981 -5.663 1.00 0.00 O ATOM 2023 CB PHE A 140 1.329 0.960 -3.986 1.00 0.00 C ATOM 2024 CG PHE A 140 0.296 0.653 -2.914 1.00 0.00 C ATOM 2025 CD1 PHE A 140 0.641 -0.100 -1.776 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -0.967 1.286 -2.955 1.00 0.00 C ATOM 2027 CE1 PHE A 140 -0.177 -0.085 -0.631 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.825 1.188 -1.853 1.00 0.00 C ATOM 2029 CZ PHE A 140 -1.398 0.599 -0.665 1.00 0.00 C ATOM 0 H PHE A 140 3.671 -0.211 -3.379 1.00 0.00 H new ATOM 0 HA PHE A 140 1.375 -0.906 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 140 2.080 1.603 -3.527 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.826 1.553 -4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 140 1.542 -0.695 -1.782 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.268 1.842 -3.831 1.00 0.00 H new ATOM 0 HE1 PHE A 140 0.135 -0.597 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.831 1.574 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 140 -2.006 0.670 0.225 1.00 0.00 H new ATOM 2039 N ASP A 141 2.205 0.637 -7.008 1.00 0.00 N ATOM 2040 CA ASP A 141 2.746 1.293 -8.189 1.00 0.00 C ATOM 2041 C ASP A 141 2.349 2.762 -8.165 1.00 0.00 C ATOM 2042 O ASP A 141 1.266 3.092 -7.676 1.00 0.00 O ATOM 2043 CB ASP A 141 2.156 0.623 -9.445 1.00 0.00 C ATOM 2044 CG ASP A 141 3.124 -0.361 -10.099 1.00 0.00 C ATOM 2045 OD1 ASP A 141 4.361 -0.165 -10.025 1.00 0.00 O ATOM 2046 OD2 ASP A 141 2.650 -1.329 -10.732 1.00 0.00 O ATOM 0 H ASP A 141 1.258 0.282 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 141 3.833 1.208 -8.202 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.239 0.099 -9.175 1.00 0.00 H new ATOM 0 HB3 ASP A 141 1.883 1.392 -10.168 1.00 0.00 H new ATOM 2051 N ARG A 142 3.167 3.665 -8.724 1.00 0.00 N ATOM 2052 CA ARG A 142 2.690 5.013 -9.043 1.00 0.00 C ATOM 2053 C ARG A 142 1.747 4.876 -10.230 1.00 0.00 C ATOM 2054 O ARG A 142 2.213 4.681 -11.351 1.00 0.00 O ATOM 2055 CB ARG A 142 3.843 5.977 -9.366 1.00 0.00 C ATOM 2056 CG ARG A 142 3.365 7.410 -9.709 1.00 0.00 C ATOM 2057 CD ARG A 142 3.314 8.311 -8.467 1.00 0.00 C ATOM 2058 NE ARG A 142 3.325 9.753 -8.797 1.00 0.00 N ATOM 2059 CZ ARG A 142 2.334 10.636 -8.644 1.00 0.00 C ATOM 2060 NH1 ARG A 142 1.149 10.232 -8.224 1.00 0.00 N ATOM 2061 NH2 ARG A 142 2.534 11.921 -8.892 1.00 0.00 N ATOM 0 H ARG A 142 4.144 3.489 -8.960 1.00 0.00 H new ATOM 0 HA ARG A 142 2.180 5.441 -8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.520 6.022 -8.513 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.414 5.581 -10.206 1.00 0.00 H new ATOM 0 HG2 ARG A 142 4.035 7.849 -10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 142 2.376 7.363 -10.164 1.00 0.00 H new ATOM 0 HD2 ARG A 142 2.415 8.082 -7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 142 4.166 8.084 -7.826 1.00 0.00 H new ATOM 0 HE ARG A 142 4.194 10.117 -9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 142 0.990 9.246 -8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 142 0.392 10.906 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 142 3.450 12.244 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 142 1.772 12.588 -8.773 1.00 0.00 H new ATOM 2075 N SER A 143 0.449 5.021 -10.013 1.00 0.00 N ATOM 2076 CA SER A 143 -0.552 5.115 -11.051 1.00 0.00 C ATOM 2077 C SER A 143 -0.976 6.572 -11.104 1.00 0.00 C ATOM 2078 O SER A 143 -1.841 6.977 -10.329 1.00 0.00 O ATOM 2079 CB SER A 143 -1.707 4.169 -10.693 1.00 0.00 C ATOM 2080 OG SER A 143 -1.761 3.897 -9.316 1.00 0.00 O ATOM 0 H SER A 143 0.055 5.078 -9.074 1.00 0.00 H new ATOM 0 HA SER A 143 -0.188 4.816 -12.034 1.00 0.00 H new ATOM 0 HB2 SER A 143 -2.650 4.613 -11.011 1.00 0.00 H new ATOM 0 HB3 SER A 143 -1.593 3.234 -11.242 1.00 0.00 H new ATOM 0 HG SER A 143 -1.218 3.106 -9.117 1.00 0.00 H new ATOM 2086 N THR A 144 -0.303 7.401 -11.900 1.00 0.00 N ATOM 2087 CA THR A 144 -0.619 8.826 -11.996 1.00 0.00 C ATOM 2088 C THR A 144 -1.104 9.132 -13.415 1.00 0.00 C ATOM 2089 O THR A 144 -0.592 10.014 -14.104 1.00 0.00 O ATOM 2090 CB THR A 144 0.583 9.626 -11.450 1.00 0.00 C ATOM 2091 OG1 THR A 144 0.231 10.932 -11.043 1.00 0.00 O ATOM 2092 CG2 THR A 144 1.866 9.662 -12.288 1.00 0.00 C ATOM 0 H THR A 144 0.472 7.107 -12.494 1.00 0.00 H new ATOM 0 HA THR A 144 -1.454 9.141 -11.370 1.00 0.00 H new ATOM 0 HB THR A 144 0.852 9.019 -10.586 1.00 0.00 H new ATOM 0 HG1 THR A 144 -0.229 11.391 -11.777 1.00 0.00 H new ATOM 0 HG21 THR A 144 2.619 10.261 -11.776 1.00 0.00 H new ATOM 0 HG22 THR A 144 2.241 8.647 -12.424 1.00 0.00 H new ATOM 0 HG23 THR A 144 1.652 10.103 -13.262 1.00 0.00 H new ATOM 2100 N ARG A 145 -2.066 8.339 -13.889 1.00 0.00 N ATOM 2101 CA ARG A 145 -2.653 8.451 -15.219 1.00 0.00 C ATOM 2102 C ARG A 145 -4.144 8.296 -15.078 1.00 0.00 C ATOM 2103 O ARG A 145 -4.553 7.522 -14.184 1.00 0.00 O ATOM 2104 CB ARG A 145 -2.166 7.339 -16.159 1.00 0.00 C ATOM 2105 CG ARG A 145 -0.728 6.831 -15.956 1.00 0.00 C ATOM 2106 CD ARG A 145 -0.385 5.694 -16.925 1.00 0.00 C ATOM 2107 NE ARG A 145 -1.454 4.678 -16.952 1.00 0.00 N ATOM 2108 CZ ARG A 145 -1.612 3.707 -17.848 1.00 0.00 C ATOM 2109 NH1 ARG A 145 -0.618 3.347 -18.643 1.00 0.00 N ATOM 2110 NH2 ARG A 145 -2.795 3.115 -17.947 1.00 0.00 N ATOM 0 H ARG A 145 -2.468 7.580 -13.339 1.00 0.00 H new ATOM 0 HA ARG A 145 -2.365 9.415 -15.639 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -2.842 6.490 -16.058 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -2.256 7.698 -17.184 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -0.028 7.654 -16.099 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -0.606 6.484 -14.930 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -0.238 6.098 -17.927 1.00 0.00 H new ATOM 0 HD3 ARG A 145 0.555 5.229 -16.627 1.00 0.00 H new ATOM 0 HE ARG A 145 -2.146 4.725 -16.204 1.00 0.00 H new ATOM 0 HH11 ARG A 145 0.285 3.816 -18.574 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -0.755 2.601 -19.325 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -3.563 3.406 -17.343 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -2.936 2.369 -18.628 1.00 0.00 H new TER 2124 ARG A 145