USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 959 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 96 GLN : amide:sc= -7.48! C(o=-6.3!,f=-12!) USER MOD Set 1.2: A 98 TYR OH : rot -56:sc= 1.21 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 52 ASN : amide:sc= -4.61! C(o=-4.6!,f=-3.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -2.95 K(o=-2.9,f=-5.8!) USER MOD Single : A 15 ASN : amide:sc= -0.968 X(o=-0.97,f=-0.5) USER MOD Single : A 18 CYS SG : rot 25:sc= 0.00344 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.25) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.039 K(o=-0.039,f=-0.78) USER MOD Single : A 44 ASN : amide:sc= -2.83 K(o=-2.8,f=-6.8!) USER MOD Single : A 45 CYS SG : rot 75:sc= -1.21! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -119:sc= -4.96! (180deg=-11.4!) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 55 ASN : amide:sc= -0.376 K(o=-0.38,f=-2.8!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.887 X(o=-0.89,f=-0.92) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.332 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 44:sc= 0.0284 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.112 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.386 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 82 LYS NZ :NH3+ 176:sc= 0.235 (180deg=0.226) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -118:sc= 0.203! USER MOD Single : A 88 CYS SG : rot -74:sc= -2.74 USER MOD Single : A 92 ASN : amide:sc= -0.0471 X(o=-0.047,f=-0.25) USER MOD Single : A 95 SER OG : rot -53:sc= 0.755 USER MOD Single : A 101 GLN : amide:sc=-0.00865 X(o=-0.0086,f=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0.474 K(o=0.47,f=-0.092) USER MOD Single : A 117 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.7!) USER MOD Single : A 119 SER OG : rot 100:sc= -1.27 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 22:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.889 -24.954 -16.488 1.00 0.00 N ATOM 2 CA GLY A 1 3.305 -24.435 -15.197 1.00 0.00 C ATOM 3 C GLY A 1 4.786 -24.049 -15.212 1.00 0.00 C ATOM 4 O GLY A 1 5.629 -24.828 -15.654 1.00 0.00 O ATOM 0 H1 GLY A 1 1.881 -25.208 -16.452 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.037 -24.228 -17.218 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.451 -25.798 -16.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.701 -23.565 -14.939 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.129 -25.185 -14.426 1.00 0.00 H new ATOM 8 N SER A 2 5.057 -22.848 -14.724 1.00 0.00 N ATOM 9 CA SER A 2 6.421 -22.350 -14.676 1.00 0.00 C ATOM 10 C SER A 2 6.866 -22.182 -13.221 1.00 0.00 C ATOM 11 O SER A 2 6.063 -21.827 -12.360 1.00 0.00 O ATOM 12 CB SER A 2 6.550 -21.023 -15.426 1.00 0.00 C ATOM 13 OG SER A 2 5.665 -20.031 -14.912 1.00 0.00 O ATOM 0 H SER A 2 4.355 -22.205 -14.358 1.00 0.00 H new ATOM 0 HA SER A 2 7.068 -23.078 -15.166 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.577 -20.665 -15.355 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.341 -21.183 -16.484 1.00 0.00 H new ATOM 0 HG SER A 2 5.779 -19.198 -15.416 1.00 0.00 H new ATOM 19 N SER A 3 8.144 -22.446 -12.993 1.00 0.00 N ATOM 20 CA SER A 3 8.706 -22.329 -11.658 1.00 0.00 C ATOM 21 C SER A 3 8.001 -23.298 -10.707 1.00 0.00 C ATOM 22 O SER A 3 6.933 -23.820 -11.026 1.00 0.00 O ATOM 23 CB SER A 3 8.591 -20.895 -11.136 1.00 0.00 C ATOM 24 OG SER A 3 9.530 -20.023 -11.759 1.00 0.00 O ATOM 0 H SER A 3 8.807 -22.741 -13.710 1.00 0.00 H new ATOM 0 HA SER A 3 9.764 -22.585 -11.709 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.581 -20.525 -11.312 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.750 -20.888 -10.058 1.00 0.00 H new ATOM 0 HG SER A 3 9.423 -19.117 -11.400 1.00 0.00 H new ATOM 30 N GLY A 4 8.626 -23.510 -9.558 1.00 0.00 N ATOM 31 CA GLY A 4 8.072 -24.407 -8.559 1.00 0.00 C ATOM 32 C GLY A 4 8.596 -24.064 -7.163 1.00 0.00 C ATOM 33 O GLY A 4 9.528 -24.699 -6.673 1.00 0.00 O ATOM 0 H GLY A 4 9.511 -23.076 -9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.984 -24.341 -8.569 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.331 -25.437 -8.806 1.00 0.00 H new ATOM 37 N SER A 5 7.974 -23.060 -6.562 1.00 0.00 N ATOM 38 CA SER A 5 8.366 -22.625 -5.233 1.00 0.00 C ATOM 39 C SER A 5 7.297 -21.698 -4.649 1.00 0.00 C ATOM 40 O SER A 5 7.428 -20.477 -4.713 1.00 0.00 O ATOM 41 CB SER A 5 9.723 -21.918 -5.262 1.00 0.00 C ATOM 42 OG SER A 5 10.145 -21.519 -3.961 1.00 0.00 O ATOM 0 H SER A 5 7.201 -22.535 -6.972 1.00 0.00 H new ATOM 0 HA SER A 5 8.460 -23.507 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.469 -22.583 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.662 -21.042 -5.908 1.00 0.00 H new ATOM 0 HG SER A 5 11.016 -21.073 -4.022 1.00 0.00 H new ATOM 48 N SER A 6 6.265 -22.314 -4.093 1.00 0.00 N ATOM 49 CA SER A 6 5.175 -21.560 -3.498 1.00 0.00 C ATOM 50 C SER A 6 4.508 -20.680 -4.558 1.00 0.00 C ATOM 51 O SER A 6 5.158 -20.249 -5.509 1.00 0.00 O ATOM 52 CB SER A 6 5.670 -20.704 -2.331 1.00 0.00 C ATOM 53 OG SER A 6 6.084 -21.498 -1.223 1.00 0.00 O ATOM 0 H SER A 6 6.160 -23.327 -4.042 1.00 0.00 H new ATOM 0 HA SER A 6 4.442 -22.267 -3.109 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.503 -20.084 -2.664 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.876 -20.028 -2.015 1.00 0.00 H new ATOM 0 HG SER A 6 6.394 -20.914 -0.500 1.00 0.00 H new ATOM 59 N GLY A 7 3.221 -20.440 -4.357 1.00 0.00 N ATOM 60 CA GLY A 7 2.460 -19.619 -5.283 1.00 0.00 C ATOM 61 C GLY A 7 3.103 -18.241 -5.451 1.00 0.00 C ATOM 62 O GLY A 7 3.804 -17.994 -6.431 1.00 0.00 O ATOM 0 H GLY A 7 2.686 -20.800 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.400 -20.117 -6.251 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.439 -19.506 -4.919 1.00 0.00 H new ATOM 66 N MET A 8 2.842 -17.379 -4.479 1.00 0.00 N ATOM 67 CA MET A 8 3.387 -16.033 -4.506 1.00 0.00 C ATOM 68 C MET A 8 3.117 -15.305 -3.188 1.00 0.00 C ATOM 69 O MET A 8 2.377 -14.323 -3.157 1.00 0.00 O ATOM 70 CB MET A 8 2.757 -15.250 -5.660 1.00 0.00 C ATOM 71 CG MET A 8 1.240 -15.146 -5.488 1.00 0.00 C ATOM 72 SD MET A 8 0.765 -13.439 -5.274 1.00 0.00 S ATOM 73 CE MET A 8 -0.924 -13.651 -4.740 1.00 0.00 C ATOM 0 H MET A 8 2.260 -17.587 -3.668 1.00 0.00 H new ATOM 0 HA MET A 8 4.466 -16.101 -4.647 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.191 -14.251 -5.706 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.987 -15.741 -6.606 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.737 -15.565 -6.360 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.923 -15.731 -4.625 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.374 -12.675 -4.560 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.487 -14.174 -5.513 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.944 -14.235 -3.820 1.00 0.00 H new ATOM 83 N PRO A 9 3.748 -15.828 -2.103 1.00 0.00 N ATOM 84 CA PRO A 9 3.583 -15.239 -0.785 1.00 0.00 C ATOM 85 C PRO A 9 4.379 -13.938 -0.663 1.00 0.00 C ATOM 86 O PRO A 9 5.259 -13.666 -1.478 1.00 0.00 O ATOM 87 CB PRO A 9 4.047 -16.312 0.186 1.00 0.00 C ATOM 88 CG PRO A 9 4.886 -17.281 -0.632 1.00 0.00 C ATOM 89 CD PRO A 9 4.631 -16.991 -2.102 1.00 0.00 C ATOM 0 HA PRO A 9 2.552 -14.952 -0.578 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.632 -15.878 0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.197 -16.820 0.642 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.944 -17.162 -0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.620 -18.311 -0.394 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.561 -16.783 -2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.165 -17.842 -2.599 1.00 0.00 H new ATOM 97 N TYR A 10 4.040 -13.169 0.362 1.00 0.00 N ATOM 98 CA TYR A 10 4.712 -11.903 0.601 1.00 0.00 C ATOM 99 C TYR A 10 4.660 -11.011 -0.641 1.00 0.00 C ATOM 100 O TYR A 10 4.324 -11.476 -1.729 1.00 0.00 O ATOM 101 CB TYR A 10 6.171 -12.251 0.904 1.00 0.00 C ATOM 102 CG TYR A 10 6.766 -11.470 2.079 1.00 0.00 C ATOM 103 CD1 TYR A 10 6.144 -11.498 3.311 1.00 0.00 C ATOM 104 CD2 TYR A 10 7.923 -10.739 1.906 1.00 0.00 C ATOM 105 CE1 TYR A 10 6.704 -10.764 4.416 1.00 0.00 C ATOM 106 CE2 TYR A 10 8.483 -10.004 3.011 1.00 0.00 C ATOM 107 CZ TYR A 10 7.845 -10.053 4.211 1.00 0.00 C ATOM 108 OH TYR A 10 8.374 -9.359 5.255 1.00 0.00 O ATOM 0 H TYR A 10 3.309 -13.398 1.036 1.00 0.00 H new ATOM 0 HA TYR A 10 4.233 -11.362 1.417 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.243 -13.318 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.771 -12.062 0.014 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.238 -12.070 3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.409 -10.718 0.942 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.229 -10.778 5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.388 -9.428 2.889 1.00 0.00 H new ATOM 0 HH TYR A 10 9.189 -8.899 4.963 1.00 0.00 H new ATOM 118 N VAL A 11 4.999 -9.747 -0.437 1.00 0.00 N ATOM 119 CA VAL A 11 4.995 -8.786 -1.527 1.00 0.00 C ATOM 120 C VAL A 11 3.559 -8.575 -2.010 1.00 0.00 C ATOM 121 O VAL A 11 2.814 -9.537 -2.191 1.00 0.00 O ATOM 122 CB VAL A 11 5.938 -9.251 -2.638 1.00 0.00 C ATOM 123 CG1 VAL A 11 5.966 -8.245 -3.790 1.00 0.00 C ATOM 124 CG2 VAL A 11 7.346 -9.501 -2.094 1.00 0.00 C ATOM 0 H VAL A 11 5.278 -9.366 0.467 1.00 0.00 H new ATOM 0 HA VAL A 11 5.368 -7.820 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 11 5.557 -10.195 -3.027 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.644 -8.600 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.964 -8.139 -4.205 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.311 -7.279 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.996 -9.831 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.739 -8.579 -1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.307 -10.272 -1.324 1.00 0.00 H new ATOM 134 N ASP A 12 3.213 -7.311 -2.206 1.00 0.00 N ATOM 135 CA ASP A 12 1.880 -6.963 -2.665 1.00 0.00 C ATOM 136 C ASP A 12 1.969 -5.767 -3.616 1.00 0.00 C ATOM 137 O ASP A 12 2.966 -5.047 -3.621 1.00 0.00 O ATOM 138 CB ASP A 12 0.979 -6.568 -1.493 1.00 0.00 C ATOM 139 CG ASP A 12 0.440 -7.739 -0.669 1.00 0.00 C ATOM 140 OD1 ASP A 12 1.261 -8.617 -0.325 1.00 0.00 O ATOM 141 OD2 ASP A 12 -0.781 -7.731 -0.402 1.00 0.00 O ATOM 0 H ASP A 12 3.833 -6.516 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 12 1.458 -7.834 -3.167 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.537 -5.905 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.135 -5.996 -1.879 1.00 0.00 H new ATOM 146 N ARG A 13 0.913 -5.593 -4.397 1.00 0.00 N ATOM 147 CA ARG A 13 0.859 -4.497 -5.350 1.00 0.00 C ATOM 148 C ARG A 13 0.261 -3.252 -4.693 1.00 0.00 C ATOM 149 O ARG A 13 -0.747 -2.724 -5.159 1.00 0.00 O ATOM 150 CB ARG A 13 0.022 -4.872 -6.574 1.00 0.00 C ATOM 151 CG ARG A 13 0.881 -5.559 -7.637 1.00 0.00 C ATOM 152 CD ARG A 13 0.988 -4.697 -8.897 1.00 0.00 C ATOM 153 NE ARG A 13 0.828 -5.540 -10.102 1.00 0.00 N ATOM 154 CZ ARG A 13 0.458 -5.072 -11.302 1.00 0.00 C ATOM 155 NH1 ARG A 13 0.208 -3.766 -11.464 1.00 0.00 N ATOM 156 NH2 ARG A 13 0.338 -5.911 -12.340 1.00 0.00 N ATOM 0 H ARG A 13 0.088 -6.193 -4.389 1.00 0.00 H new ATOM 0 HA ARG A 13 1.879 -4.287 -5.673 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.790 -5.534 -6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.435 -3.976 -6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.877 -5.750 -7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.448 -6.527 -7.890 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.223 -3.920 -8.882 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.954 -4.193 -8.922 1.00 0.00 H new ATOM 0 HE ARG A 13 1.011 -6.540 -10.014 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.299 -3.127 -10.674 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.074 -3.410 -12.377 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.528 -6.905 -12.217 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.056 -5.555 -13.253 1.00 0.00 H new ATOM 170 N GLN A 14 0.909 -2.818 -3.622 1.00 0.00 N ATOM 171 CA GLN A 14 0.454 -1.644 -2.896 1.00 0.00 C ATOM 172 C GLN A 14 0.142 -0.506 -3.870 1.00 0.00 C ATOM 173 O GLN A 14 -0.763 0.292 -3.629 1.00 0.00 O ATOM 174 CB GLN A 14 1.487 -1.208 -1.855 1.00 0.00 C ATOM 175 CG GLN A 14 1.794 -2.344 -0.878 1.00 0.00 C ATOM 176 CD GLN A 14 2.320 -1.797 0.451 1.00 0.00 C ATOM 177 OE1 GLN A 14 3.019 -0.800 0.508 1.00 0.00 O ATOM 178 NE2 GLN A 14 1.944 -2.505 1.513 1.00 0.00 N ATOM 0 H GLN A 14 1.746 -3.258 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.462 -1.902 -2.364 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.404 -0.896 -2.356 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.113 -0.343 -1.307 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.893 -2.931 -0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.532 -3.016 -1.316 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.357 -3.331 1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.243 -2.222 2.446 1.00 0.00 H new ATOM 187 N ASN A 15 0.909 -0.467 -4.950 1.00 0.00 N ATOM 188 CA ASN A 15 0.727 0.560 -5.961 1.00 0.00 C ATOM 189 C ASN A 15 0.960 1.936 -5.333 1.00 0.00 C ATOM 190 O ASN A 15 0.282 2.308 -4.376 1.00 0.00 O ATOM 191 CB ASN A 15 -0.696 0.532 -6.524 1.00 0.00 C ATOM 192 CG ASN A 15 -0.924 -0.718 -7.375 1.00 0.00 C ATOM 193 OD1 ASN A 15 -0.153 -1.046 -8.262 1.00 0.00 O ATOM 194 ND2 ASN A 15 -2.024 -1.395 -7.058 1.00 0.00 N ATOM 0 H ASN A 15 1.658 -1.131 -5.147 1.00 0.00 H new ATOM 0 HA ASN A 15 1.438 0.371 -6.766 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.415 0.555 -5.705 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -0.870 1.423 -7.127 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.265 -2.244 -7.569 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.626 -1.065 -6.304 1.00 0.00 H new ATOM 201 N ARG A 16 1.920 2.653 -5.896 1.00 0.00 N ATOM 202 CA ARG A 16 2.251 3.979 -5.403 1.00 0.00 C ATOM 203 C ARG A 16 1.123 4.962 -5.724 1.00 0.00 C ATOM 204 O ARG A 16 0.990 5.410 -6.862 1.00 0.00 O ATOM 205 CB ARG A 16 3.554 4.489 -6.023 1.00 0.00 C ATOM 206 CG ARG A 16 4.498 5.031 -4.948 1.00 0.00 C ATOM 207 CD ARG A 16 4.680 6.543 -5.090 1.00 0.00 C ATOM 208 NE ARG A 16 5.727 6.835 -6.094 1.00 0.00 N ATOM 209 CZ ARG A 16 7.040 6.849 -5.826 1.00 0.00 C ATOM 210 NH1 ARG A 16 7.474 6.587 -4.586 1.00 0.00 N ATOM 211 NH2 ARG A 16 7.919 7.124 -6.799 1.00 0.00 N ATOM 0 H ARG A 16 2.480 2.341 -6.689 1.00 0.00 H new ATOM 0 HA ARG A 16 2.380 3.908 -4.323 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.043 3.681 -6.567 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.334 5.273 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.100 4.800 -3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.466 4.536 -5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.739 7.004 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.956 6.976 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 16 5.431 7.038 -7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.805 6.377 -3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.473 6.598 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.589 7.323 -7.743 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.918 7.135 -6.595 1.00 0.00 H new ATOM 225 N ILE A 17 0.339 5.268 -4.701 1.00 0.00 N ATOM 226 CA ILE A 17 -0.773 6.189 -4.860 1.00 0.00 C ATOM 227 C ILE A 17 -0.256 7.626 -4.776 1.00 0.00 C ATOM 228 O ILE A 17 0.685 7.909 -4.036 1.00 0.00 O ATOM 229 CB ILE A 17 -1.879 5.874 -3.850 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.263 6.088 -4.467 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.693 6.681 -2.564 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.254 5.034 -3.969 1.00 0.00 C ATOM 0 H ILE A 17 0.452 4.894 -3.759 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.228 6.070 -5.844 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.806 4.820 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.628 7.084 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.192 6.041 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.492 6.438 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.730 6.435 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.724 7.746 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.230 5.209 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.898 4.041 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.341 5.100 -2.884 1.00 0.00 H new ATOM 244 N CYS A 18 -0.893 8.497 -5.545 1.00 0.00 N ATOM 245 CA CYS A 18 -0.509 9.898 -5.567 1.00 0.00 C ATOM 246 C CYS A 18 -1.747 10.730 -5.908 1.00 0.00 C ATOM 247 O CYS A 18 -2.640 10.261 -6.612 1.00 0.00 O ATOM 248 CB CYS A 18 0.638 10.155 -6.547 1.00 0.00 C ATOM 249 SG CYS A 18 0.157 9.619 -8.229 1.00 0.00 S ATOM 0 H CYS A 18 -1.673 8.259 -6.158 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.134 10.190 -4.586 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.891 11.215 -6.553 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.529 9.616 -6.226 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.138 9.652 -8.341 1.00 0.00 H new ATOM 255 N GLY A 19 -1.760 11.951 -5.393 1.00 0.00 N ATOM 256 CA GLY A 19 -2.873 12.853 -5.634 1.00 0.00 C ATOM 257 C GLY A 19 -2.851 14.025 -4.651 1.00 0.00 C ATOM 258 O GLY A 19 -1.971 14.107 -3.796 1.00 0.00 O ATOM 0 H GLY A 19 -1.017 12.336 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.826 13.230 -6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.813 12.310 -5.537 1.00 0.00 H new ATOM 262 N PHE A 20 -3.831 14.904 -4.805 1.00 0.00 N ATOM 263 CA PHE A 20 -3.936 16.068 -3.942 1.00 0.00 C ATOM 264 C PHE A 20 -4.923 15.817 -2.800 1.00 0.00 C ATOM 265 O PHE A 20 -6.063 15.420 -3.036 1.00 0.00 O ATOM 266 CB PHE A 20 -4.455 17.219 -4.805 1.00 0.00 C ATOM 267 CG PHE A 20 -3.359 17.974 -5.560 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.418 18.675 -4.872 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.326 17.944 -6.919 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.401 19.375 -5.573 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.309 18.644 -7.620 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.368 19.345 -6.932 1.00 0.00 C ATOM 0 H PHE A 20 -4.560 14.833 -5.515 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.964 16.295 -3.503 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.172 16.825 -5.525 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.994 17.922 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.444 18.699 -3.793 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.073 17.388 -7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.654 19.931 -5.027 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.283 18.620 -8.699 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.595 19.878 -7.465 1.00 0.00 H new ATOM 282 N LEU A 21 -4.448 16.058 -1.587 1.00 0.00 N ATOM 283 CA LEU A 21 -5.275 15.863 -0.407 1.00 0.00 C ATOM 284 C LEU A 21 -5.177 17.099 0.489 1.00 0.00 C ATOM 285 O LEU A 21 -4.096 17.659 0.664 1.00 0.00 O ATOM 286 CB LEU A 21 -4.900 14.559 0.300 1.00 0.00 C ATOM 287 CG LEU A 21 -5.023 13.283 -0.535 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.495 12.071 0.234 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.462 13.077 -1.013 1.00 0.00 C ATOM 0 H LEU A 21 -3.502 16.386 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.322 15.756 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.871 14.642 0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.530 14.454 1.183 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.402 13.395 -1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.594 11.178 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.445 12.226 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.069 11.944 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.522 12.163 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.124 12.995 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.767 13.926 -1.625 1.00 0.00 H new ATOM 301 N ASP A 22 -6.321 17.489 1.032 1.00 0.00 N ATOM 302 CA ASP A 22 -6.378 18.648 1.906 1.00 0.00 C ATOM 303 C ASP A 22 -6.262 18.191 3.361 1.00 0.00 C ATOM 304 O ASP A 22 -7.263 17.855 3.992 1.00 0.00 O ATOM 305 CB ASP A 22 -7.706 19.392 1.748 1.00 0.00 C ATOM 306 CG ASP A 22 -8.122 19.674 0.303 1.00 0.00 C ATOM 307 OD1 ASP A 22 -8.436 18.689 -0.399 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.116 20.868 -0.066 1.00 0.00 O ATOM 0 H ASP A 22 -7.216 17.023 0.883 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.558 19.313 1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.491 18.809 2.229 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.640 20.340 2.283 1.00 0.00 H new ATOM 313 N ILE A 23 -5.031 18.193 3.852 1.00 0.00 N ATOM 314 CA ILE A 23 -4.771 17.783 5.222 1.00 0.00 C ATOM 315 C ILE A 23 -4.956 18.983 6.153 1.00 0.00 C ATOM 316 O ILE A 23 -4.406 20.055 5.906 1.00 0.00 O ATOM 317 CB ILE A 23 -3.394 17.125 5.332 1.00 0.00 C ATOM 318 CG1 ILE A 23 -3.109 16.688 6.770 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.302 18.045 4.785 1.00 0.00 C ATOM 320 CD1 ILE A 23 -2.041 15.593 6.808 1.00 0.00 C ATOM 0 H ILE A 23 -4.203 18.472 3.326 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.487 17.023 5.535 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.395 16.225 4.717 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.777 17.545 7.356 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.026 16.323 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.333 17.553 4.875 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.502 18.263 3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.291 18.975 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.857 15.300 7.842 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.386 14.728 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.118 15.970 6.368 1.00 0.00 H new ATOM 332 N GLU A 24 -5.731 18.762 7.204 1.00 0.00 N ATOM 333 CA GLU A 24 -5.995 19.811 8.174 1.00 0.00 C ATOM 334 C GLU A 24 -4.723 20.140 8.959 1.00 0.00 C ATOM 335 O GLU A 24 -4.122 19.259 9.572 1.00 0.00 O ATOM 336 CB GLU A 24 -7.134 19.415 9.115 1.00 0.00 C ATOM 337 CG GLU A 24 -7.520 20.580 10.029 1.00 0.00 C ATOM 338 CD GLU A 24 -8.296 20.084 11.251 1.00 0.00 C ATOM 339 OE1 GLU A 24 -7.687 19.333 12.044 1.00 0.00 O ATOM 340 OE2 GLU A 24 -9.481 20.466 11.364 1.00 0.00 O ATOM 0 H GLU A 24 -6.185 17.871 7.405 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.308 20.706 7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.000 19.103 8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.831 18.559 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.622 21.106 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.126 21.296 9.475 1.00 0.00 H new ATOM 347 N ASP A 25 -4.351 21.411 8.916 1.00 0.00 N ATOM 348 CA ASP A 25 -3.162 21.867 9.615 1.00 0.00 C ATOM 349 C ASP A 25 -3.557 22.381 11.001 1.00 0.00 C ATOM 350 O ASP A 25 -4.536 23.114 11.140 1.00 0.00 O ATOM 351 CB ASP A 25 -2.485 23.013 8.861 1.00 0.00 C ATOM 352 CG ASP A 25 -1.124 23.438 9.417 1.00 0.00 C ATOM 353 OD1 ASP A 25 -0.961 23.342 10.653 1.00 0.00 O ATOM 354 OD2 ASP A 25 -0.278 23.849 8.594 1.00 0.00 O ATOM 0 H ASP A 25 -4.852 22.139 8.408 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.471 21.027 9.689 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.359 22.718 7.819 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.150 23.877 8.870 1.00 0.00 H new ATOM 359 N ASN A 26 -2.776 21.978 11.992 1.00 0.00 N ATOM 360 CA ASN A 26 -3.032 22.388 13.362 1.00 0.00 C ATOM 361 C ASN A 26 -2.933 23.912 13.460 1.00 0.00 C ATOM 362 O ASN A 26 -3.378 24.505 14.442 1.00 0.00 O ATOM 363 CB ASN A 26 -2.002 21.786 14.319 1.00 0.00 C ATOM 364 CG ASN A 26 -2.686 21.145 15.529 1.00 0.00 C ATOM 365 OD1 ASN A 26 -3.076 21.807 16.476 1.00 0.00 O ATOM 366 ND2 ASN A 26 -2.809 19.823 15.443 1.00 0.00 N ATOM 0 H ASN A 26 -1.965 21.371 11.873 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.027 22.040 13.638 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.407 21.038 13.795 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.315 22.563 14.654 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.252 19.302 16.199 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.460 19.331 14.621 1.00 0.00 H new ATOM 373 N GLU A 27 -2.348 24.503 12.428 1.00 0.00 N ATOM 374 CA GLU A 27 -2.186 25.946 12.386 1.00 0.00 C ATOM 375 C GLU A 27 -3.552 26.634 12.401 1.00 0.00 C ATOM 376 O GLU A 27 -3.701 27.713 12.974 1.00 0.00 O ATOM 377 CB GLU A 27 -1.372 26.370 11.162 1.00 0.00 C ATOM 378 CG GLU A 27 0.127 26.187 11.409 1.00 0.00 C ATOM 379 CD GLU A 27 0.653 27.238 12.389 1.00 0.00 C ATOM 380 OE1 GLU A 27 0.444 28.436 12.102 1.00 0.00 O ATOM 381 OE2 GLU A 27 1.253 26.819 13.402 1.00 0.00 O ATOM 0 H GLU A 27 -1.981 24.009 11.615 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.635 26.257 13.274 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.676 25.781 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.580 27.414 10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.315 25.189 11.805 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.667 26.262 10.465 1.00 0.00 H new ATOM 388 N ASN A 28 -4.515 25.983 11.765 1.00 0.00 N ATOM 389 CA ASN A 28 -5.863 26.519 11.698 1.00 0.00 C ATOM 390 C ASN A 28 -6.869 25.368 11.769 1.00 0.00 C ATOM 391 O ASN A 28 -7.085 24.667 10.782 1.00 0.00 O ATOM 392 CB ASN A 28 -6.094 27.269 10.385 1.00 0.00 C ATOM 393 CG ASN A 28 -5.384 26.571 9.223 1.00 0.00 C ATOM 394 OD1 ASN A 28 -5.717 25.464 8.833 1.00 0.00 O ATOM 395 ND2 ASN A 28 -4.389 27.278 8.695 1.00 0.00 N ATOM 0 H ASN A 28 -4.388 25.089 11.291 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.994 27.207 12.533 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.163 27.329 10.180 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.729 28.292 10.477 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.852 26.899 7.915 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.163 28.199 9.070 1.00 0.00 H new ATOM 402 N SER A 29 -7.458 25.210 12.945 1.00 0.00 N ATOM 403 CA SER A 29 -8.435 24.156 13.157 1.00 0.00 C ATOM 404 C SER A 29 -9.711 24.459 12.369 1.00 0.00 C ATOM 405 O SER A 29 -10.749 24.763 12.954 1.00 0.00 O ATOM 406 CB SER A 29 -8.757 23.994 14.644 1.00 0.00 C ATOM 407 OG SER A 29 -7.985 22.960 15.248 1.00 0.00 O ATOM 0 H SER A 29 -7.277 25.795 13.761 1.00 0.00 H new ATOM 0 HA SER A 29 -8.009 23.218 12.801 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.569 24.935 15.160 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.817 23.771 14.763 1.00 0.00 H new ATOM 0 HG SER A 29 -8.219 22.889 16.197 1.00 0.00 H new ATOM 413 N GLY A 30 -9.591 24.366 11.052 1.00 0.00 N ATOM 414 CA GLY A 30 -10.721 24.627 10.177 1.00 0.00 C ATOM 415 C GLY A 30 -10.290 24.625 8.709 1.00 0.00 C ATOM 416 O GLY A 30 -10.990 24.086 7.854 1.00 0.00 O ATOM 0 H GLY A 30 -8.728 24.113 10.570 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.490 23.871 10.335 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.165 25.590 10.428 1.00 0.00 H new ATOM 420 N LYS A 31 -9.139 25.234 8.463 1.00 0.00 N ATOM 421 CA LYS A 31 -8.607 25.309 7.113 1.00 0.00 C ATOM 422 C LYS A 31 -7.685 24.113 6.866 1.00 0.00 C ATOM 423 O LYS A 31 -7.182 23.507 7.810 1.00 0.00 O ATOM 424 CB LYS A 31 -7.934 26.663 6.877 1.00 0.00 C ATOM 425 CG LYS A 31 -8.491 27.341 5.624 1.00 0.00 C ATOM 426 CD LYS A 31 -8.349 28.862 5.715 1.00 0.00 C ATOM 427 CE LYS A 31 -9.670 29.557 5.377 1.00 0.00 C ATOM 428 NZ LYS A 31 -9.420 30.807 4.626 1.00 0.00 N ATOM 0 H LYS A 31 -8.561 25.680 9.175 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.413 25.248 6.382 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.090 27.306 7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.858 26.525 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.964 26.975 4.743 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.541 27.077 5.500 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.033 29.142 6.720 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.571 29.200 5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.298 28.890 4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.216 29.780 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.326 31.266 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.839 31.448 5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.919 30.586 3.742 1.00 0.00 H new ATOM 442 N PHE A 32 -7.492 23.809 5.591 1.00 0.00 N ATOM 443 CA PHE A 32 -6.640 22.696 5.207 1.00 0.00 C ATOM 444 C PHE A 32 -5.590 23.137 4.186 1.00 0.00 C ATOM 445 O PHE A 32 -5.899 23.871 3.249 1.00 0.00 O ATOM 446 CB PHE A 32 -7.544 21.640 4.568 1.00 0.00 C ATOM 447 CG PHE A 32 -8.699 21.186 5.463 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.797 21.976 5.610 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.629 19.993 6.111 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.869 21.554 6.440 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.701 19.571 6.941 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.798 20.361 7.088 1.00 0.00 C ATOM 0 H PHE A 32 -7.911 24.314 4.810 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.117 22.308 6.081 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.952 22.040 3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.940 20.772 4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.853 22.924 5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.758 19.366 5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.741 22.181 6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.645 18.623 7.455 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.613 20.041 7.720 1.00 0.00 H new ATOM 462 N LEU A 33 -4.369 22.670 4.402 1.00 0.00 N ATOM 463 CA LEU A 33 -3.271 23.007 3.512 1.00 0.00 C ATOM 464 C LEU A 33 -3.286 22.061 2.309 1.00 0.00 C ATOM 465 O LEU A 33 -3.063 20.860 2.457 1.00 0.00 O ATOM 466 CB LEU A 33 -1.944 23.011 4.275 1.00 0.00 C ATOM 467 CG LEU A 33 -1.734 24.172 5.249 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.245 24.420 5.492 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.454 25.432 4.763 1.00 0.00 C ATOM 0 H LEU A 33 -4.116 22.061 5.180 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.392 24.018 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.865 22.077 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.131 23.020 3.550 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.175 23.899 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.123 25.250 6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.209 23.523 5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.242 24.663 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.289 26.242 5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.064 25.720 3.787 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.523 25.232 4.683 1.00 0.00 H new ATOM 481 N ARG A 34 -3.550 22.637 1.146 1.00 0.00 N ATOM 482 CA ARG A 34 -3.597 21.860 -0.081 1.00 0.00 C ATOM 483 C ARG A 34 -2.191 21.399 -0.471 1.00 0.00 C ATOM 484 O ARG A 34 -1.352 22.212 -0.856 1.00 0.00 O ATOM 485 CB ARG A 34 -4.195 22.677 -1.228 1.00 0.00 C ATOM 486 CG ARG A 34 -4.169 21.886 -2.537 1.00 0.00 C ATOM 487 CD ARG A 34 -3.106 22.438 -3.489 1.00 0.00 C ATOM 488 NE ARG A 34 -3.344 21.933 -4.860 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.368 22.317 -5.635 1.00 0.00 C ATOM 490 NH1 ARG A 34 -5.255 23.212 -5.178 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.506 21.807 -6.866 1.00 0.00 N ATOM 0 H ARG A 34 -3.734 23.633 1.027 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.231 20.992 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.221 22.953 -0.986 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.636 23.605 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.965 20.836 -2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.148 21.932 -3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.132 23.528 -3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.113 22.141 -3.150 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.688 21.250 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.151 23.601 -4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.034 23.504 -5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.831 21.126 -7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.286 22.100 -7.455 1.00 0.00 H new ATOM 505 N ARG A 35 -1.977 20.096 -0.358 1.00 0.00 N ATOM 506 CA ARG A 35 -0.688 19.518 -0.694 1.00 0.00 C ATOM 507 C ARG A 35 -0.877 18.238 -1.511 1.00 0.00 C ATOM 508 O ARG A 35 -1.922 17.594 -1.429 1.00 0.00 O ATOM 509 CB ARG A 35 0.117 19.196 0.566 1.00 0.00 C ATOM 510 CG ARG A 35 0.405 20.464 1.372 1.00 0.00 C ATOM 511 CD ARG A 35 1.283 21.432 0.575 1.00 0.00 C ATOM 512 NE ARG A 35 1.699 22.562 1.436 1.00 0.00 N ATOM 513 CZ ARG A 35 0.944 23.642 1.675 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.272 23.746 1.121 1.00 0.00 N ATOM 515 NH2 ARG A 35 1.403 24.619 2.469 1.00 0.00 N ATOM 0 H ARG A 35 -2.675 19.425 -0.038 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.139 20.252 -1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.435 18.486 1.183 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.056 18.716 0.289 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.533 20.952 1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.902 20.201 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.162 20.911 0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.735 21.805 -0.290 1.00 0.00 H new ATOM 0 HE ARG A 35 2.619 22.515 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.623 23.002 0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.847 24.569 1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.328 24.540 2.892 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.827 25.441 2.651 1.00 0.00 H new ATOM 529 N TYR A 36 0.149 17.908 -2.281 1.00 0.00 N ATOM 530 CA TYR A 36 0.109 16.716 -3.112 1.00 0.00 C ATOM 531 C TYR A 36 0.758 15.528 -2.398 1.00 0.00 C ATOM 532 O TYR A 36 1.976 15.361 -2.445 1.00 0.00 O ATOM 533 CB TYR A 36 0.921 17.049 -4.365 1.00 0.00 C ATOM 534 CG TYR A 36 0.658 16.110 -5.544 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.458 16.292 -6.336 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.536 15.081 -5.816 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.705 15.408 -7.445 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.289 14.197 -6.925 1.00 0.00 C ATOM 539 CZ TYR A 36 0.180 14.404 -7.685 1.00 0.00 C ATOM 540 OH TYR A 36 -0.054 13.569 -8.733 1.00 0.00 O ATOM 0 H TYR A 36 1.014 18.445 -2.347 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.921 16.442 -3.342 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.696 18.071 -4.670 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.982 17.016 -4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.146 17.097 -6.124 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.409 14.939 -5.197 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.574 15.539 -8.073 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.969 13.388 -7.148 1.00 0.00 H new ATOM 0 HH TYR A 36 0.661 12.901 -8.785 1.00 0.00 H new ATOM 550 N PHE A 37 -0.084 14.733 -1.755 1.00 0.00 N ATOM 551 CA PHE A 37 0.392 13.566 -1.033 1.00 0.00 C ATOM 552 C PHE A 37 0.803 12.453 -2.000 1.00 0.00 C ATOM 553 O PHE A 37 0.218 12.311 -3.072 1.00 0.00 O ATOM 554 CB PHE A 37 -0.769 13.070 -0.168 1.00 0.00 C ATOM 555 CG PHE A 37 -0.951 13.851 1.135 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.995 15.210 1.114 1.00 0.00 C ATOM 557 CD2 PHE A 37 -1.069 13.185 2.315 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.164 15.934 2.323 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.238 13.909 3.525 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.282 15.268 3.503 1.00 0.00 C ATOM 0 H PHE A 37 -1.094 14.874 -1.719 1.00 0.00 H new ATOM 0 HA PHE A 37 1.263 13.830 -0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.691 13.129 -0.747 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.608 12.018 0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.901 15.739 0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.034 12.106 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.199 17.013 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.332 13.381 4.462 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.411 15.819 4.423 1.00 0.00 H new ATOM 570 N ILE A 38 1.806 11.694 -1.585 1.00 0.00 N ATOM 571 CA ILE A 38 2.303 10.599 -2.401 1.00 0.00 C ATOM 572 C ILE A 38 2.664 9.418 -1.497 1.00 0.00 C ATOM 573 O ILE A 38 3.670 9.458 -0.791 1.00 0.00 O ATOM 574 CB ILE A 38 3.457 11.071 -3.287 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.934 11.700 -4.580 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.440 9.931 -3.561 1.00 0.00 C ATOM 577 CD1 ILE A 38 3.929 12.723 -5.133 1.00 0.00 C ATOM 0 H ILE A 38 2.288 11.815 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 38 1.529 10.252 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 38 4.004 11.846 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.757 10.921 -5.322 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.976 12.184 -4.392 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.251 10.294 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.849 9.569 -2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.921 9.117 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.533 13.155 -6.052 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.085 13.513 -4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.878 12.230 -5.343 1.00 0.00 H new ATOM 589 N LEU A 39 1.823 8.395 -1.549 1.00 0.00 N ATOM 590 CA LEU A 39 2.042 7.206 -0.744 1.00 0.00 C ATOM 591 C LEU A 39 3.190 6.393 -1.344 1.00 0.00 C ATOM 592 O LEU A 39 2.984 5.610 -2.270 1.00 0.00 O ATOM 593 CB LEU A 39 0.741 6.414 -0.594 1.00 0.00 C ATOM 594 CG LEU A 39 0.668 5.464 0.603 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.619 6.243 1.919 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.510 4.497 0.465 1.00 0.00 C ATOM 0 H LEU A 39 0.989 8.365 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 39 2.340 7.481 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.085 7.121 -0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.585 5.833 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 39 1.577 4.863 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.567 5.544 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.516 6.855 2.013 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.261 6.886 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.539 3.833 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.440 5.062 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.391 3.906 -0.443 1.00 0.00 H new ATOM 608 N ASP A 40 4.376 6.606 -0.791 1.00 0.00 N ATOM 609 CA ASP A 40 5.557 5.903 -1.260 1.00 0.00 C ATOM 610 C ASP A 40 5.761 4.640 -0.420 1.00 0.00 C ATOM 611 O ASP A 40 6.045 4.724 0.774 1.00 0.00 O ATOM 612 CB ASP A 40 6.808 6.772 -1.118 1.00 0.00 C ATOM 613 CG ASP A 40 6.545 8.277 -1.043 1.00 0.00 C ATOM 614 OD1 ASP A 40 5.882 8.689 -0.066 1.00 0.00 O ATOM 615 OD2 ASP A 40 7.012 8.982 -1.963 1.00 0.00 O ATOM 0 H ASP A 40 4.543 7.256 -0.023 1.00 0.00 H new ATOM 0 HA ASP A 40 5.407 5.656 -2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.344 6.467 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.467 6.575 -1.964 1.00 0.00 H new ATOM 620 N THR A 41 5.609 3.500 -1.077 1.00 0.00 N ATOM 621 CA THR A 41 5.773 2.222 -0.406 1.00 0.00 C ATOM 622 C THR A 41 7.257 1.887 -0.251 1.00 0.00 C ATOM 623 O THR A 41 7.625 1.038 0.560 1.00 0.00 O ATOM 624 CB THR A 41 4.992 1.169 -1.196 1.00 0.00 C ATOM 625 OG1 THR A 41 5.864 0.823 -2.268 1.00 0.00 O ATOM 626 CG2 THR A 41 3.760 1.753 -1.890 1.00 0.00 C ATOM 0 H THR A 41 5.374 3.435 -2.067 1.00 0.00 H new ATOM 0 HA THR A 41 5.372 2.254 0.607 1.00 0.00 H new ATOM 0 HB THR A 41 4.684 0.366 -0.526 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.437 0.143 -2.830 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.242 0.965 -2.436 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.089 2.178 -1.143 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.070 2.533 -2.586 1.00 0.00 H new ATOM 634 N GLN A 42 8.071 2.573 -1.040 1.00 0.00 N ATOM 635 CA GLN A 42 9.508 2.359 -1.000 1.00 0.00 C ATOM 636 C GLN A 42 10.127 3.129 0.168 1.00 0.00 C ATOM 637 O GLN A 42 10.925 2.578 0.926 1.00 0.00 O ATOM 638 CB GLN A 42 10.158 2.759 -2.326 1.00 0.00 C ATOM 639 CG GLN A 42 11.625 3.146 -2.123 1.00 0.00 C ATOM 640 CD GLN A 42 12.472 2.737 -3.329 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.983 2.562 -4.433 1.00 0.00 O ATOM 642 NE2 GLN A 42 13.766 2.594 -3.058 1.00 0.00 N ATOM 0 H GLN A 42 7.763 3.277 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 42 9.694 1.296 -0.848 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.091 1.931 -3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.614 3.596 -2.764 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.703 4.222 -1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.010 2.666 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.110 2.756 -2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.415 2.322 -3.797 1.00 0.00 H new ATOM 651 N ALA A 43 9.736 4.390 0.278 1.00 0.00 N ATOM 652 CA ALA A 43 10.242 5.240 1.342 1.00 0.00 C ATOM 653 C ALA A 43 9.613 4.817 2.671 1.00 0.00 C ATOM 654 O ALA A 43 10.152 5.108 3.738 1.00 0.00 O ATOM 655 CB ALA A 43 9.959 6.705 1.003 1.00 0.00 C ATOM 0 H ALA A 43 9.075 4.844 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 43 11.322 5.130 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.339 7.343 1.801 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.452 6.964 0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.884 6.854 0.900 1.00 0.00 H new ATOM 661 N ASN A 44 8.482 4.136 2.563 1.00 0.00 N ATOM 662 CA ASN A 44 7.773 3.670 3.743 1.00 0.00 C ATOM 663 C ASN A 44 7.359 4.873 4.593 1.00 0.00 C ATOM 664 O ASN A 44 7.251 4.767 5.814 1.00 0.00 O ATOM 665 CB ASN A 44 8.665 2.770 4.601 1.00 0.00 C ATOM 666 CG ASN A 44 7.826 1.904 5.542 1.00 0.00 C ATOM 667 OD1 ASN A 44 6.715 2.243 5.914 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.418 0.770 5.906 1.00 0.00 N ATOM 0 H ASN A 44 8.039 3.896 1.676 1.00 0.00 H new ATOM 0 HA ASN A 44 6.902 3.105 3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.271 2.132 3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.354 3.383 5.182 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.940 0.124 6.533 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.350 0.547 5.558 1.00 0.00 H new ATOM 675 N CYS A 45 7.139 5.989 3.914 1.00 0.00 N ATOM 676 CA CYS A 45 6.739 7.211 4.591 1.00 0.00 C ATOM 677 C CYS A 45 5.855 8.020 3.640 1.00 0.00 C ATOM 678 O CYS A 45 5.974 7.899 2.422 1.00 0.00 O ATOM 679 CB CYS A 45 7.950 8.015 5.068 1.00 0.00 C ATOM 680 SG CYS A 45 9.169 6.903 5.858 1.00 0.00 S ATOM 0 H CYS A 45 7.230 6.073 2.902 1.00 0.00 H new ATOM 0 HA CYS A 45 6.173 6.964 5.489 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.409 8.531 4.225 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.632 8.781 5.776 1.00 0.00 H new ATOM 0 HG CYS A 45 9.796 6.226 4.942 1.00 0.00 H new ATOM 686 N LEU A 46 4.988 8.827 4.233 1.00 0.00 N ATOM 687 CA LEU A 46 4.084 9.656 3.453 1.00 0.00 C ATOM 688 C LEU A 46 4.709 11.039 3.257 1.00 0.00 C ATOM 689 O LEU A 46 5.106 11.688 4.224 1.00 0.00 O ATOM 690 CB LEU A 46 2.698 9.694 4.101 1.00 0.00 C ATOM 691 CG LEU A 46 1.578 10.298 3.254 1.00 0.00 C ATOM 692 CD1 LEU A 46 1.978 11.674 2.716 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.162 9.344 2.133 1.00 0.00 C ATOM 0 H LEU A 46 4.892 8.925 5.244 1.00 0.00 H new ATOM 0 HA LEU A 46 3.935 9.229 2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.416 8.676 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.769 10.259 5.030 1.00 0.00 H new ATOM 0 HG LEU A 46 0.707 10.443 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.164 12.081 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.185 12.344 3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.870 11.577 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.364 9.798 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.018 9.145 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.807 8.408 2.565 1.00 0.00 H new ATOM 705 N LEU A 47 4.775 11.450 1.999 1.00 0.00 N ATOM 706 CA LEU A 47 5.345 12.744 1.663 1.00 0.00 C ATOM 707 C LEU A 47 4.361 13.516 0.782 1.00 0.00 C ATOM 708 O LEU A 47 3.837 12.974 -0.191 1.00 0.00 O ATOM 709 CB LEU A 47 6.730 12.573 1.036 1.00 0.00 C ATOM 710 CG LEU A 47 7.598 11.457 1.620 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.302 10.672 0.511 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.588 12.012 2.646 1.00 0.00 C ATOM 0 H LEU A 47 4.443 10.910 1.200 1.00 0.00 H new ATOM 0 HA LEU A 47 5.500 13.338 2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.604 12.387 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.270 13.515 1.134 1.00 0.00 H new ATOM 0 HG LEU A 47 6.947 10.758 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.912 9.885 0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.557 10.226 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.939 11.345 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.193 11.198 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.237 12.744 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.040 12.490 3.458 1.00 0.00 H new ATOM 724 N TRP A 48 4.140 14.768 1.153 1.00 0.00 N ATOM 725 CA TRP A 48 3.229 15.620 0.408 1.00 0.00 C ATOM 726 C TRP A 48 3.989 16.883 0.000 1.00 0.00 C ATOM 727 O TRP A 48 4.598 17.544 0.840 1.00 0.00 O ATOM 728 CB TRP A 48 1.968 15.918 1.222 1.00 0.00 C ATOM 729 CG TRP A 48 2.238 16.627 2.550 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.534 17.918 2.750 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.223 16.028 3.863 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.712 18.195 4.091 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.516 17.009 4.789 1.00 0.00 C ATOM 734 CE3 TRP A 48 1.971 14.702 4.255 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.584 16.767 6.166 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.043 14.476 5.635 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.336 15.452 6.580 1.00 0.00 C ATOM 0 H TRP A 48 4.576 15.213 1.960 1.00 0.00 H new ATOM 0 HA TRP A 48 2.881 15.117 -0.494 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.298 16.534 0.622 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.447 14.982 1.421 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.622 18.650 1.961 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.944 19.102 4.495 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.740 13.919 3.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.815 17.552 6.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.858 13.473 5.990 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.372 15.198 7.629 1.00 0.00 H new ATOM 748 N TYR A 49 3.929 17.181 -1.290 1.00 0.00 N ATOM 749 CA TYR A 49 4.605 18.353 -1.820 1.00 0.00 C ATOM 750 C TYR A 49 3.595 19.403 -2.287 1.00 0.00 C ATOM 751 O TYR A 49 2.589 19.068 -2.910 1.00 0.00 O ATOM 752 CB TYR A 49 5.411 17.866 -3.025 1.00 0.00 C ATOM 753 CG TYR A 49 6.137 16.539 -2.794 1.00 0.00 C ATOM 754 CD1 TYR A 49 7.336 16.518 -2.111 1.00 0.00 C ATOM 755 CD2 TYR A 49 5.591 15.363 -3.267 1.00 0.00 C ATOM 756 CE1 TYR A 49 8.019 15.269 -1.893 1.00 0.00 C ATOM 757 CE2 TYR A 49 6.274 14.114 -3.049 1.00 0.00 C ATOM 758 CZ TYR A 49 7.454 14.129 -2.373 1.00 0.00 C ATOM 759 OH TYR A 49 8.099 12.949 -2.168 1.00 0.00 O ATOM 0 H TYR A 49 3.422 16.631 -1.984 1.00 0.00 H new ATOM 0 HA TYR A 49 5.232 18.813 -1.056 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.741 17.758 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.144 18.628 -3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.762 17.438 -1.740 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.652 15.379 -3.800 1.00 0.00 H new ATOM 0 HE1 TYR A 49 8.958 15.238 -1.361 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.859 13.186 -3.414 1.00 0.00 H new ATOM 0 HH TYR A 49 7.579 12.219 -2.564 1.00 0.00 H new ATOM 769 N MET A 50 3.898 20.653 -1.968 1.00 0.00 N ATOM 770 CA MET A 50 3.030 21.754 -2.348 1.00 0.00 C ATOM 771 C MET A 50 2.423 21.521 -3.733 1.00 0.00 C ATOM 772 O MET A 50 1.304 21.955 -4.005 1.00 0.00 O ATOM 773 CB MET A 50 3.831 23.058 -2.354 1.00 0.00 C ATOM 774 CG MET A 50 3.925 23.650 -0.946 1.00 0.00 C ATOM 775 SD MET A 50 3.380 25.349 -0.961 1.00 0.00 S ATOM 776 CE MET A 50 1.625 25.113 -0.738 1.00 0.00 C ATOM 0 H MET A 50 4.733 20.927 -1.450 1.00 0.00 H new ATOM 0 HA MET A 50 2.219 21.819 -1.623 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.833 22.872 -2.742 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.358 23.776 -3.024 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.312 23.069 -0.257 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.952 23.592 -0.586 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.091 25.516 -1.599 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.410 24.049 -0.643 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.300 25.630 0.165 1.00 0.00 H new ATOM 786 N ASP A 51 3.187 20.838 -4.572 1.00 0.00 N ATOM 787 CA ASP A 51 2.739 20.542 -5.922 1.00 0.00 C ATOM 788 C ASP A 51 3.435 19.274 -6.420 1.00 0.00 C ATOM 789 O ASP A 51 4.446 18.855 -5.857 1.00 0.00 O ATOM 790 CB ASP A 51 3.090 21.682 -6.881 1.00 0.00 C ATOM 791 CG ASP A 51 1.906 22.549 -7.314 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.879 22.504 -6.603 1.00 0.00 O ATOM 793 OD2 ASP A 51 2.056 23.238 -8.346 1.00 0.00 O ATOM 0 H ASP A 51 4.114 20.481 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 51 1.657 20.412 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.834 22.321 -6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.555 21.258 -7.771 1.00 0.00 H new ATOM 798 N ASN A 52 2.868 18.699 -7.470 1.00 0.00 N ATOM 799 CA ASN A 52 3.421 17.487 -8.050 1.00 0.00 C ATOM 800 C ASN A 52 4.947 17.597 -8.089 1.00 0.00 C ATOM 801 O ASN A 52 5.491 18.688 -8.250 1.00 0.00 O ATOM 802 CB ASN A 52 2.925 17.286 -9.483 1.00 0.00 C ATOM 803 CG ASN A 52 1.407 17.458 -9.567 1.00 0.00 C ATOM 804 OD1 ASN A 52 0.642 16.516 -9.441 1.00 0.00 O ATOM 805 ND2 ASN A 52 1.016 18.710 -9.786 1.00 0.00 N ATOM 0 H ASN A 52 2.031 19.050 -7.935 1.00 0.00 H new ATOM 0 HA ASN A 52 3.103 16.644 -7.437 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.413 18.002 -10.144 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.202 16.291 -9.831 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.022 18.929 -9.858 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.710 19.452 -9.882 1.00 0.00 H new ATOM 812 N PRO A 53 5.612 16.421 -7.935 1.00 0.00 N ATOM 813 CA PRO A 53 7.064 16.374 -7.951 1.00 0.00 C ATOM 814 C PRO A 53 7.602 16.531 -9.374 1.00 0.00 C ATOM 815 O PRO A 53 8.776 16.845 -9.567 1.00 0.00 O ATOM 816 CB PRO A 53 7.421 15.035 -7.325 1.00 0.00 C ATOM 817 CG PRO A 53 6.163 14.187 -7.408 1.00 0.00 C ATOM 818 CD PRO A 53 5.001 15.109 -7.742 1.00 0.00 C ATOM 0 HA PRO A 53 7.518 17.193 -7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.246 14.563 -7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.740 15.160 -6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.271 13.417 -8.172 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.985 13.675 -6.462 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.479 14.779 -8.640 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.267 15.129 -6.936 1.00 0.00 H new ATOM 826 N GLN A 54 6.718 16.306 -10.335 1.00 0.00 N ATOM 827 CA GLN A 54 7.089 16.419 -11.735 1.00 0.00 C ATOM 828 C GLN A 54 7.460 17.865 -12.071 1.00 0.00 C ATOM 829 O GLN A 54 8.191 18.116 -13.028 1.00 0.00 O ATOM 830 CB GLN A 54 5.964 15.917 -12.643 1.00 0.00 C ATOM 831 CG GLN A 54 4.748 16.842 -12.571 1.00 0.00 C ATOM 832 CD GLN A 54 3.486 16.127 -13.059 1.00 0.00 C ATOM 833 OE1 GLN A 54 2.677 15.643 -12.285 1.00 0.00 O ATOM 834 NE2 GLN A 54 3.364 16.088 -14.383 1.00 0.00 N ATOM 0 H GLN A 54 5.745 16.046 -10.171 1.00 0.00 H new ATOM 0 HA GLN A 54 7.962 15.790 -11.911 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.321 15.858 -13.671 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.676 14.908 -12.348 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.605 17.181 -11.545 1.00 0.00 H new ATOM 0 HG3 GLN A 54 4.925 17.730 -13.178 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.079 16.513 -14.974 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.556 15.633 -14.808 1.00 0.00 H new ATOM 843 N ASN A 55 6.941 18.779 -11.264 1.00 0.00 N ATOM 844 CA ASN A 55 7.209 20.193 -11.464 1.00 0.00 C ATOM 845 C ASN A 55 8.344 20.628 -10.535 1.00 0.00 C ATOM 846 O ASN A 55 9.096 21.547 -10.857 1.00 0.00 O ATOM 847 CB ASN A 55 5.977 21.039 -11.133 1.00 0.00 C ATOM 848 CG ASN A 55 5.270 21.499 -12.410 1.00 0.00 C ATOM 849 OD1 ASN A 55 5.775 21.367 -13.512 1.00 0.00 O ATOM 850 ND2 ASN A 55 4.076 22.045 -12.199 1.00 0.00 N ATOM 0 H ASN A 55 6.336 18.568 -10.470 1.00 0.00 H new ATOM 0 HA ASN A 55 7.478 20.341 -12.510 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.287 20.459 -10.520 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.275 21.907 -10.545 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.524 22.384 -12.987 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.712 22.125 -11.249 1.00 0.00 H new ATOM 857 N LEU A 56 8.432 19.948 -9.401 1.00 0.00 N ATOM 858 CA LEU A 56 9.463 20.253 -8.424 1.00 0.00 C ATOM 859 C LEU A 56 10.821 19.799 -8.963 1.00 0.00 C ATOM 860 O LEU A 56 10.944 19.457 -10.138 1.00 0.00 O ATOM 861 CB LEU A 56 9.108 19.649 -7.064 1.00 0.00 C ATOM 862 CG LEU A 56 7.802 20.138 -6.434 1.00 0.00 C ATOM 863 CD1 LEU A 56 7.735 19.764 -4.952 1.00 0.00 C ATOM 864 CD2 LEU A 56 7.615 21.640 -6.655 1.00 0.00 C ATOM 0 H LEU A 56 7.806 19.187 -9.137 1.00 0.00 H new ATOM 0 HA LEU A 56 9.528 21.329 -8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.053 18.566 -7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.923 19.859 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 56 6.973 19.634 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.797 20.123 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.789 18.680 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.571 20.222 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.679 21.961 -6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.445 22.181 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.587 21.850 -7.724 1.00 0.00 H new ATOM 876 N ALA A 57 11.807 19.810 -8.078 1.00 0.00 N ATOM 877 CA ALA A 57 13.151 19.403 -8.450 1.00 0.00 C ATOM 878 C ALA A 57 13.328 17.912 -8.155 1.00 0.00 C ATOM 879 O ALA A 57 12.439 17.277 -7.590 1.00 0.00 O ATOM 880 CB ALA A 57 14.171 20.269 -7.707 1.00 0.00 C ATOM 0 H ALA A 57 11.702 20.094 -7.104 1.00 0.00 H new ATOM 0 HA ALA A 57 13.314 19.550 -9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.179 19.964 -7.986 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.022 21.316 -7.973 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.039 20.145 -6.632 1.00 0.00 H new ATOM 886 N VAL A 58 14.482 17.396 -8.552 1.00 0.00 N ATOM 887 CA VAL A 58 14.787 15.991 -8.337 1.00 0.00 C ATOM 888 C VAL A 58 15.147 15.771 -6.867 1.00 0.00 C ATOM 889 O VAL A 58 14.581 14.899 -6.209 1.00 0.00 O ATOM 890 CB VAL A 58 15.891 15.543 -9.297 1.00 0.00 C ATOM 891 CG1 VAL A 58 16.385 14.138 -8.946 1.00 0.00 C ATOM 892 CG2 VAL A 58 15.415 15.610 -10.750 1.00 0.00 C ATOM 0 H VAL A 58 15.217 17.925 -9.021 1.00 0.00 H new ATOM 0 HA VAL A 58 13.916 15.373 -8.554 1.00 0.00 H new ATOM 0 HB VAL A 58 16.730 16.230 -9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.169 13.843 -9.643 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.782 14.135 -7.931 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.556 13.433 -9.013 1.00 0.00 H new ATOM 0 HG21 VAL A 58 16.219 15.286 -11.411 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.552 14.957 -10.881 1.00 0.00 H new ATOM 0 HG23 VAL A 58 15.135 16.635 -10.994 1.00 0.00 H new ATOM 902 N GLY A 59 16.087 16.576 -6.394 1.00 0.00 N ATOM 903 CA GLY A 59 16.529 16.480 -5.013 1.00 0.00 C ATOM 904 C GLY A 59 15.578 17.231 -4.079 1.00 0.00 C ATOM 905 O GLY A 59 15.855 17.374 -2.889 1.00 0.00 O ATOM 0 H GLY A 59 16.555 17.298 -6.942 1.00 0.00 H new ATOM 0 HA2 GLY A 59 16.583 15.432 -4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.535 16.890 -4.920 1.00 0.00 H new ATOM 909 N ALA A 60 14.476 17.691 -4.653 1.00 0.00 N ATOM 910 CA ALA A 60 13.483 18.423 -3.887 1.00 0.00 C ATOM 911 C ALA A 60 13.161 17.650 -2.606 1.00 0.00 C ATOM 912 O ALA A 60 13.251 16.424 -2.578 1.00 0.00 O ATOM 913 CB ALA A 60 12.243 18.660 -4.752 1.00 0.00 C ATOM 0 H ALA A 60 14.249 17.571 -5.640 1.00 0.00 H new ATOM 0 HA ALA A 60 13.868 19.400 -3.595 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.498 19.209 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.520 19.238 -5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.827 17.701 -5.062 1.00 0.00 H new ATOM 919 N GLY A 61 12.793 18.400 -1.577 1.00 0.00 N ATOM 920 CA GLY A 61 12.458 17.800 -0.297 1.00 0.00 C ATOM 921 C GLY A 61 10.957 17.520 -0.199 1.00 0.00 C ATOM 922 O GLY A 61 10.354 17.013 -1.143 1.00 0.00 O ATOM 0 H GLY A 61 12.720 19.417 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 61 13.014 16.871 -0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.761 18.466 0.511 1.00 0.00 H new ATOM 926 N ALA A 62 10.397 17.863 0.952 1.00 0.00 N ATOM 927 CA ALA A 62 8.978 17.655 1.186 1.00 0.00 C ATOM 928 C ALA A 62 8.479 18.676 2.210 1.00 0.00 C ATOM 929 O ALA A 62 9.115 18.888 3.241 1.00 0.00 O ATOM 930 CB ALA A 62 8.742 16.212 1.638 1.00 0.00 C ATOM 0 H ALA A 62 10.901 18.284 1.733 1.00 0.00 H new ATOM 0 HA ALA A 62 8.411 17.806 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.678 16.055 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 62 9.087 15.527 0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.293 16.025 2.559 1.00 0.00 H new ATOM 936 N VAL A 63 7.346 19.282 1.889 1.00 0.00 N ATOM 937 CA VAL A 63 6.754 20.276 2.768 1.00 0.00 C ATOM 938 C VAL A 63 6.268 19.594 4.049 1.00 0.00 C ATOM 939 O VAL A 63 5.954 20.263 5.032 1.00 0.00 O ATOM 940 CB VAL A 63 5.643 21.029 2.034 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.508 20.082 1.637 1.00 0.00 C ATOM 942 CG2 VAL A 63 5.117 22.191 2.879 1.00 0.00 C ATOM 0 H VAL A 63 6.822 19.104 1.032 1.00 0.00 H new ATOM 0 HA VAL A 63 7.496 21.020 3.057 1.00 0.00 H new ATOM 0 HB VAL A 63 6.068 21.445 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.731 20.643 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.896 19.304 0.979 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.087 19.624 2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.328 22.709 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.717 21.807 3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 63 5.930 22.886 3.089 1.00 0.00 H new ATOM 952 N GLY A 64 6.223 18.271 3.996 1.00 0.00 N ATOM 953 CA GLY A 64 5.781 17.491 5.139 1.00 0.00 C ATOM 954 C GLY A 64 5.963 15.993 4.884 1.00 0.00 C ATOM 955 O GLY A 64 5.837 15.532 3.751 1.00 0.00 O ATOM 0 H GLY A 64 6.485 17.719 3.179 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.346 17.784 6.024 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.732 17.704 5.345 1.00 0.00 H new ATOM 959 N SER A 65 6.258 15.274 5.958 1.00 0.00 N ATOM 960 CA SER A 65 6.459 13.838 5.865 1.00 0.00 C ATOM 961 C SER A 65 5.715 13.131 6.999 1.00 0.00 C ATOM 962 O SER A 65 5.522 13.703 8.071 1.00 0.00 O ATOM 963 CB SER A 65 7.948 13.487 5.906 1.00 0.00 C ATOM 964 OG SER A 65 8.570 13.940 7.105 1.00 0.00 O ATOM 0 H SER A 65 6.363 15.659 6.897 1.00 0.00 H new ATOM 0 HA SER A 65 6.059 13.497 4.910 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.068 12.407 5.821 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.449 13.932 5.047 1.00 0.00 H new ATOM 0 HG SER A 65 9.519 13.695 7.094 1.00 0.00 H new ATOM 970 N LEU A 66 5.317 11.898 6.725 1.00 0.00 N ATOM 971 CA LEU A 66 4.599 11.106 7.709 1.00 0.00 C ATOM 972 C LEU A 66 4.996 9.636 7.564 1.00 0.00 C ATOM 973 O LEU A 66 4.433 8.916 6.741 1.00 0.00 O ATOM 974 CB LEU A 66 3.092 11.351 7.597 1.00 0.00 C ATOM 975 CG LEU A 66 2.438 12.065 8.781 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.922 12.158 8.596 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.814 11.392 10.103 1.00 0.00 C ATOM 0 H LEU A 66 5.478 11.427 5.835 1.00 0.00 H new ATOM 0 HA LEU A 66 4.874 11.412 8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.905 11.937 6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.597 10.390 7.460 1.00 0.00 H new ATOM 0 HG LEU A 66 2.821 13.085 8.819 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.482 12.670 9.452 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.700 12.716 7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.503 11.155 8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.336 11.919 10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.478 10.355 10.092 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.896 11.422 10.232 1.00 0.00 H new ATOM 989 N GLN A 67 5.962 9.234 8.376 1.00 0.00 N ATOM 990 CA GLN A 67 6.441 7.863 8.348 1.00 0.00 C ATOM 991 C GLN A 67 5.295 6.894 8.645 1.00 0.00 C ATOM 992 O GLN A 67 4.537 7.096 9.593 1.00 0.00 O ATOM 993 CB GLN A 67 7.596 7.665 9.333 1.00 0.00 C ATOM 994 CG GLN A 67 8.725 8.660 9.060 1.00 0.00 C ATOM 995 CD GLN A 67 8.616 9.878 9.981 1.00 0.00 C ATOM 996 OE1 GLN A 67 8.606 9.771 11.196 1.00 0.00 O ATOM 997 NE2 GLN A 67 8.536 11.038 9.336 1.00 0.00 N ATOM 0 H GLN A 67 6.426 9.834 9.058 1.00 0.00 H new ATOM 0 HA GLN A 67 6.820 7.652 7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.234 7.791 10.353 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.976 6.647 9.253 1.00 0.00 H new ATOM 0 HG2 GLN A 67 9.688 8.172 9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.688 8.982 8.019 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.550 11.057 8.316 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.461 11.909 9.861 1.00 0.00 H new ATOM 1006 N LEU A 68 5.204 5.863 7.818 1.00 0.00 N ATOM 1007 CA LEU A 68 4.163 4.863 7.980 1.00 0.00 C ATOM 1008 C LEU A 68 4.339 4.164 9.330 1.00 0.00 C ATOM 1009 O LEU A 68 3.375 3.653 9.898 1.00 0.00 O ATOM 1010 CB LEU A 68 4.151 3.904 6.788 1.00 0.00 C ATOM 1011 CG LEU A 68 4.176 4.554 5.403 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.286 3.497 4.303 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.964 5.466 5.204 1.00 0.00 C ATOM 0 H LEU A 68 5.835 5.699 7.033 1.00 0.00 H new ATOM 0 HA LEU A 68 3.180 5.334 7.990 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.012 3.241 6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.260 3.280 6.858 1.00 0.00 H new ATOM 0 HG LEU A 68 5.065 5.181 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.302 3.986 3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.205 2.926 4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.430 2.825 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.006 5.916 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.049 4.881 5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.972 6.252 5.959 1.00 0.00 H new ATOM 1025 N THR A 69 5.576 4.165 9.804 1.00 0.00 N ATOM 1026 CA THR A 69 5.890 3.538 11.076 1.00 0.00 C ATOM 1027 C THR A 69 4.950 4.049 12.170 1.00 0.00 C ATOM 1028 O THR A 69 4.756 3.385 13.187 1.00 0.00 O ATOM 1029 CB THR A 69 7.368 3.794 11.377 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.446 5.205 11.563 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.267 3.528 10.168 1.00 0.00 C ATOM 0 H THR A 69 6.373 4.590 9.330 1.00 0.00 H new ATOM 0 HA THR A 69 5.733 2.460 11.034 1.00 0.00 H new ATOM 0 HB THR A 69 7.682 3.164 12.209 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.371 5.458 11.764 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.305 3.725 10.436 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.163 2.488 9.859 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.974 4.181 9.346 1.00 0.00 H new ATOM 1039 N TYR A 70 4.392 5.225 11.923 1.00 0.00 N ATOM 1040 CA TYR A 70 3.477 5.833 12.874 1.00 0.00 C ATOM 1041 C TYR A 70 2.048 5.329 12.659 1.00 0.00 C ATOM 1042 O TYR A 70 1.463 4.715 13.549 1.00 0.00 O ATOM 1043 CB TYR A 70 3.521 7.337 12.599 1.00 0.00 C ATOM 1044 CG TYR A 70 4.689 8.059 13.273 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.982 7.622 13.067 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.451 9.148 14.086 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.082 8.301 13.701 1.00 0.00 C ATOM 1048 CE2 TYR A 70 5.551 9.828 14.721 1.00 0.00 C ATOM 1049 CZ TYR A 70 6.812 9.370 14.496 1.00 0.00 C ATOM 1050 OH TYR A 70 7.851 10.012 15.095 1.00 0.00 O ATOM 0 H TYR A 70 4.556 5.773 11.078 1.00 0.00 H new ATOM 0 HA TYR A 70 3.765 5.586 13.896 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.581 7.497 11.523 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.587 7.785 12.937 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.169 6.770 12.430 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.440 9.491 14.246 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.098 7.969 13.548 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.379 10.681 15.360 1.00 0.00 H new ATOM 0 HH TYR A 70 7.509 10.757 15.632 1.00 0.00 H new ATOM 1060 N ILE A 71 1.528 5.608 11.473 1.00 0.00 N ATOM 1061 CA ILE A 71 0.180 5.191 11.130 1.00 0.00 C ATOM 1062 C ILE A 71 -0.056 3.769 11.645 1.00 0.00 C ATOM 1063 O ILE A 71 0.726 2.864 11.359 1.00 0.00 O ATOM 1064 CB ILE A 71 -0.065 5.349 9.628 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.103 6.808 9.196 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.432 4.788 9.233 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.374 6.990 8.364 1.00 0.00 C ATOM 0 H ILE A 71 2.017 6.118 10.737 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.553 5.834 11.618 1.00 0.00 H new ATOM 0 HB ILE A 71 0.687 4.767 9.096 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.764 7.121 8.615 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.145 7.449 10.076 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.581 4.913 8.160 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.477 3.728 9.484 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.214 5.322 9.772 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.470 8.035 8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.241 6.699 8.956 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.318 6.366 7.472 1.00 0.00 H new ATOM 1079 N SER A 72 -1.138 3.617 12.394 1.00 0.00 N ATOM 1080 CA SER A 72 -1.487 2.321 12.951 1.00 0.00 C ATOM 1081 C SER A 72 -2.780 1.809 12.314 1.00 0.00 C ATOM 1082 O SER A 72 -2.989 0.601 12.211 1.00 0.00 O ATOM 1083 CB SER A 72 -1.639 2.398 14.472 1.00 0.00 C ATOM 1084 OG SER A 72 -0.379 2.497 15.129 1.00 0.00 O ATOM 0 H SER A 72 -1.785 4.370 12.628 1.00 0.00 H new ATOM 0 HA SER A 72 -0.679 1.624 12.728 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.252 3.261 14.732 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.166 1.513 14.829 1.00 0.00 H new ATOM 0 HG SER A 72 0.186 3.143 14.656 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.614 2.752 11.902 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.881 2.411 11.278 1.00 0.00 C ATOM 1092 C LYS A 73 -5.413 3.627 10.517 1.00 0.00 C ATOM 1093 O LYS A 73 -5.159 4.766 10.904 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.859 1.859 12.317 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.307 2.053 11.864 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.628 1.166 10.659 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.632 0.074 11.034 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.380 -1.154 10.247 1.00 0.00 N ATOM 0 H LYS A 73 -3.437 3.753 11.988 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.744 1.613 10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.664 0.799 12.478 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.703 2.361 13.272 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.984 1.816 12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.474 3.099 11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.033 1.776 9.852 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.712 0.710 10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.557 -0.147 12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.647 0.427 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.070 -1.885 10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.475 -0.942 9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.418 -1.499 10.440 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.144 3.343 9.449 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.714 4.399 8.630 1.00 0.00 C ATOM 1114 C VAL A 74 -8.187 4.087 8.357 1.00 0.00 C ATOM 1115 O VAL A 74 -8.504 3.308 7.460 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.892 4.572 7.351 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.387 5.772 6.540 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.402 4.703 7.671 1.00 0.00 C ATOM 0 H VAL A 74 -6.355 2.397 9.132 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.675 5.353 9.156 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.026 3.678 6.742 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.786 5.873 5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.431 5.621 6.267 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.296 6.678 7.139 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.840 4.825 6.745 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.242 5.572 8.309 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.060 3.806 8.187 1.00 0.00 H new ATOM 1128 N SER A 75 -9.048 4.713 9.147 1.00 0.00 N ATOM 1129 CA SER A 75 -10.479 4.512 9.001 1.00 0.00 C ATOM 1130 C SER A 75 -11.145 5.808 8.534 1.00 0.00 C ATOM 1131 O SER A 75 -10.562 6.885 8.647 1.00 0.00 O ATOM 1132 CB SER A 75 -11.105 4.036 10.314 1.00 0.00 C ATOM 1133 OG SER A 75 -12.519 3.891 10.209 1.00 0.00 O ATOM 0 H SER A 75 -8.781 5.359 9.890 1.00 0.00 H new ATOM 0 HA SER A 75 -10.641 3.738 8.251 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.663 3.082 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.871 4.747 11.106 1.00 0.00 H new ATOM 0 HG SER A 75 -12.881 3.584 11.066 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.357 5.661 8.020 1.00 0.00 N ATOM 1140 CA ILE A 76 -13.108 6.806 7.536 1.00 0.00 C ATOM 1141 C ILE A 76 -13.524 7.677 8.723 1.00 0.00 C ATOM 1142 O ILE A 76 -13.982 7.164 9.743 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.282 6.349 6.667 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.828 5.323 5.627 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.986 7.545 6.023 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.660 5.862 4.799 1.00 0.00 C ATOM 0 H ILE A 76 -12.838 4.766 7.928 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.485 7.424 6.890 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.010 5.855 7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.530 4.401 6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.661 5.074 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.816 7.192 5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.365 8.207 6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.279 8.089 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.357 5.113 4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.969 6.770 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.821 6.087 5.457 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.350 8.979 8.551 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.701 9.926 9.596 1.00 0.00 C ATOM 1160 C ALA A 77 -15.224 9.991 9.728 1.00 0.00 C ATOM 1161 O ALA A 77 -15.939 9.969 8.727 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.085 11.290 9.278 1.00 0.00 C ATOM 0 H ALA A 77 -12.970 9.401 7.703 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.300 9.603 10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.349 12.000 10.062 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.000 11.196 9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.467 11.647 8.322 1.00 0.00 H new ATOM 1168 N THR A 78 -15.676 10.070 10.971 1.00 0.00 N ATOM 1169 CA THR A 78 -17.101 10.138 11.246 1.00 0.00 C ATOM 1170 C THR A 78 -17.516 11.578 11.554 1.00 0.00 C ATOM 1171 O THR A 78 -16.667 12.456 11.696 1.00 0.00 O ATOM 1172 CB THR A 78 -17.410 9.161 12.382 1.00 0.00 C ATOM 1173 OG1 THR A 78 -17.214 9.931 13.565 1.00 0.00 O ATOM 1174 CG2 THR A 78 -16.373 8.041 12.490 1.00 0.00 C ATOM 0 H THR A 78 -15.080 10.088 11.799 1.00 0.00 H new ATOM 0 HA THR A 78 -17.687 9.843 10.375 1.00 0.00 H new ATOM 0 HB THR A 78 -18.398 8.727 12.228 1.00 0.00 H new ATOM 0 HG1 THR A 78 -17.395 9.375 14.351 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.640 7.376 13.312 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.350 7.476 11.558 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.390 8.472 12.677 1.00 0.00 H new ATOM 1182 N PRO A 79 -18.857 11.782 11.650 1.00 0.00 N ATOM 1183 CA PRO A 79 -19.396 13.100 11.938 1.00 0.00 C ATOM 1184 C PRO A 79 -19.200 13.462 13.411 1.00 0.00 C ATOM 1185 O PRO A 79 -19.530 14.571 13.831 1.00 0.00 O ATOM 1186 CB PRO A 79 -20.859 13.024 11.534 1.00 0.00 C ATOM 1187 CG PRO A 79 -21.198 11.544 11.472 1.00 0.00 C ATOM 1188 CD PRO A 79 -19.893 10.765 11.487 1.00 0.00 C ATOM 0 HA PRO A 79 -18.886 13.892 11.389 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -21.491 13.539 12.257 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -21.023 13.503 10.569 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -21.822 11.260 12.319 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.766 11.320 10.569 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -19.872 10.043 12.304 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.756 10.204 10.562 1.00 0.00 H new ATOM 1196 N LYS A 80 -18.664 12.507 14.156 1.00 0.00 N ATOM 1197 CA LYS A 80 -18.421 12.711 15.574 1.00 0.00 C ATOM 1198 C LYS A 80 -17.020 13.295 15.768 1.00 0.00 C ATOM 1199 O LYS A 80 -16.673 13.736 16.862 1.00 0.00 O ATOM 1200 CB LYS A 80 -18.660 11.415 16.351 1.00 0.00 C ATOM 1201 CG LYS A 80 -19.256 11.705 17.730 1.00 0.00 C ATOM 1202 CD LYS A 80 -20.192 10.577 18.171 1.00 0.00 C ATOM 1203 CE LYS A 80 -21.468 11.138 18.801 1.00 0.00 C ATOM 1204 NZ LYS A 80 -21.707 10.521 20.125 1.00 0.00 N ATOM 0 H LYS A 80 -18.391 11.589 13.804 1.00 0.00 H new ATOM 0 HA LYS A 80 -19.128 13.434 15.981 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -19.333 10.768 15.788 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -17.720 10.875 16.463 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.454 11.823 18.459 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.804 12.647 17.703 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -20.449 9.956 17.313 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.680 9.934 18.888 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -21.383 12.219 18.907 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -22.318 10.948 18.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -22.577 10.913 20.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -21.809 9.492 20.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.903 10.724 20.753 1.00 0.00 H new ATOM 1218 N GLN A 81 -16.253 13.279 14.688 1.00 0.00 N ATOM 1219 CA GLN A 81 -14.897 13.802 14.725 1.00 0.00 C ATOM 1220 C GLN A 81 -14.764 15.000 13.782 1.00 0.00 C ATOM 1221 O GLN A 81 -14.433 16.102 14.216 1.00 0.00 O ATOM 1222 CB GLN A 81 -13.880 12.713 14.376 1.00 0.00 C ATOM 1223 CG GLN A 81 -13.518 11.885 15.610 1.00 0.00 C ATOM 1224 CD GLN A 81 -12.277 11.029 15.351 1.00 0.00 C ATOM 1225 OE1 GLN A 81 -12.030 10.565 14.250 1.00 0.00 O ATOM 1226 NE2 GLN A 81 -11.512 10.846 16.424 1.00 0.00 N ATOM 0 H GLN A 81 -16.544 12.912 13.782 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.685 14.139 15.740 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.290 12.062 13.604 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.980 13.169 13.963 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.337 12.547 16.457 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.357 11.244 15.881 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -11.777 11.263 17.316 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.661 10.289 16.354 1.00 0.00 H new ATOM 1235 N LYS A 82 -15.028 14.743 12.510 1.00 0.00 N ATOM 1236 CA LYS A 82 -14.942 15.786 11.502 1.00 0.00 C ATOM 1237 C LYS A 82 -16.077 15.608 10.491 1.00 0.00 C ATOM 1238 O LYS A 82 -15.880 15.022 9.428 1.00 0.00 O ATOM 1239 CB LYS A 82 -13.550 15.804 10.867 1.00 0.00 C ATOM 1240 CG LYS A 82 -12.654 16.847 11.539 1.00 0.00 C ATOM 1241 CD LYS A 82 -13.043 18.262 11.109 1.00 0.00 C ATOM 1242 CE LYS A 82 -11.842 19.207 11.183 1.00 0.00 C ATOM 1243 NZ LYS A 82 -12.289 20.594 11.444 1.00 0.00 N ATOM 0 H LYS A 82 -15.302 13.827 12.154 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.072 16.768 11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.094 14.818 10.954 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.635 16.024 9.803 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.735 16.757 12.622 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.612 16.658 11.280 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.433 18.242 10.091 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.843 18.634 11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.164 18.882 11.973 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.283 19.169 10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.459 21.210 11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.862 20.930 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -12.860 20.617 12.313 1.00 0.00 H new ATOM 1257 N PRO A 83 -17.271 16.138 10.869 1.00 0.00 N ATOM 1258 CA PRO A 83 -18.437 16.043 10.007 1.00 0.00 C ATOM 1259 C PRO A 83 -18.334 17.022 8.835 1.00 0.00 C ATOM 1260 O PRO A 83 -17.320 17.699 8.675 1.00 0.00 O ATOM 1261 CB PRO A 83 -19.622 16.328 10.916 1.00 0.00 C ATOM 1262 CG PRO A 83 -19.050 17.025 12.140 1.00 0.00 C ATOM 1263 CD PRO A 83 -17.542 16.839 12.121 1.00 0.00 C ATOM 0 HA PRO A 83 -18.536 15.063 9.540 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.356 16.959 10.415 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.132 15.406 11.194 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -19.304 18.085 12.129 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.475 16.605 13.052 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.024 17.797 12.158 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.203 16.260 12.980 1.00 0.00 H new ATOM 1271 N LYS A 84 -19.398 17.065 8.047 1.00 0.00 N ATOM 1272 CA LYS A 84 -19.440 17.949 6.894 1.00 0.00 C ATOM 1273 C LYS A 84 -18.409 17.485 5.863 1.00 0.00 C ATOM 1274 O LYS A 84 -17.996 18.259 5.002 1.00 0.00 O ATOM 1275 CB LYS A 84 -19.263 19.405 7.329 1.00 0.00 C ATOM 1276 CG LYS A 84 -19.945 19.662 8.675 1.00 0.00 C ATOM 1277 CD LYS A 84 -20.593 21.048 8.705 1.00 0.00 C ATOM 1278 CE LYS A 84 -20.594 21.621 10.124 1.00 0.00 C ATOM 1279 NZ LYS A 84 -21.892 21.361 10.787 1.00 0.00 N ATOM 0 H LYS A 84 -20.238 16.502 8.184 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.417 17.901 6.412 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.201 19.639 7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -19.682 20.068 6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.702 18.899 8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.213 19.581 9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -20.054 21.720 8.038 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.616 20.983 8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -19.787 21.174 10.704 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -20.405 22.694 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -21.876 21.756 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -22.656 21.808 10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -22.057 20.335 10.837 1.00 0.00 H new ATOM 1293 N THR A 85 -18.023 16.224 5.986 1.00 0.00 N ATOM 1294 CA THR A 85 -17.048 15.648 5.076 1.00 0.00 C ATOM 1295 C THR A 85 -17.498 14.258 4.621 1.00 0.00 C ATOM 1296 O THR A 85 -17.594 13.337 5.431 1.00 0.00 O ATOM 1297 CB THR A 85 -15.689 15.647 5.777 1.00 0.00 C ATOM 1298 OG1 THR A 85 -15.953 15.053 7.045 1.00 0.00 O ATOM 1299 CG2 THR A 85 -15.205 17.057 6.120 1.00 0.00 C ATOM 0 H THR A 85 -18.368 15.585 6.702 1.00 0.00 H new ATOM 0 HA THR A 85 -16.960 16.241 4.165 1.00 0.00 H new ATOM 0 HB THR A 85 -14.953 15.156 5.140 1.00 0.00 H new ATOM 0 HG1 THR A 85 -15.751 15.697 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.236 16.999 6.616 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.110 17.642 5.205 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.924 17.537 6.784 1.00 0.00 H new ATOM 1307 N PRO A 86 -17.771 14.147 3.293 1.00 0.00 N ATOM 1308 CA PRO A 86 -18.209 12.885 2.722 1.00 0.00 C ATOM 1309 C PRO A 86 -17.041 11.904 2.600 1.00 0.00 C ATOM 1310 O PRO A 86 -16.900 10.996 3.417 1.00 0.00 O ATOM 1311 CB PRO A 86 -18.819 13.252 1.379 1.00 0.00 C ATOM 1312 CG PRO A 86 -18.286 14.635 1.043 1.00 0.00 C ATOM 1313 CD PRO A 86 -17.669 15.217 2.305 1.00 0.00 C ATOM 0 HA PRO A 86 -18.938 12.370 3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -18.540 12.529 0.613 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -19.908 13.255 1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.543 14.575 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -19.090 15.276 0.681 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.631 15.507 2.141 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.202 16.110 2.631 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.234 12.120 1.572 1.00 0.00 N ATOM 1322 CA PHE A 87 -15.083 11.266 1.332 1.00 0.00 C ATOM 1323 C PHE A 87 -13.857 11.770 2.097 1.00 0.00 C ATOM 1324 O PHE A 87 -12.939 12.333 1.503 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.790 11.320 -0.169 1.00 0.00 C ATOM 1326 CG PHE A 87 -16.028 11.563 -1.036 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.958 10.581 -1.183 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.198 12.759 -1.659 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -18.106 10.806 -1.987 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.346 12.984 -2.463 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.276 12.003 -2.610 1.00 0.00 C ATOM 0 H PHE A 87 -16.354 12.874 0.896 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.297 10.251 1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.065 12.111 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.325 10.382 -0.472 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.823 9.631 -0.688 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.459 13.538 -1.542 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.844 10.027 -2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.481 13.934 -2.958 1.00 0.00 H new ATOM 0 HZ PHE A 87 -19.150 12.174 -3.221 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.883 11.550 3.403 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.785 11.975 4.255 1.00 0.00 C ATOM 1343 C CYS A 88 -12.390 10.799 5.151 1.00 0.00 C ATOM 1344 O CYS A 88 -13.252 10.106 5.688 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.150 13.216 5.071 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.577 14.724 4.207 1.00 0.00 S ATOM 0 H CYS A 88 -14.647 11.083 3.892 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.934 12.264 3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.229 13.260 5.219 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.695 13.158 6.060 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.286 14.825 4.321 1.00 0.00 H new ATOM 1352 N PHE A 89 -11.085 10.610 5.284 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.565 9.530 6.105 1.00 0.00 C ATOM 1354 C PHE A 89 -9.583 10.062 7.151 1.00 0.00 C ATOM 1355 O PHE A 89 -8.859 11.023 6.897 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.825 8.573 5.169 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.592 9.184 4.500 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -8.724 9.886 3.342 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -7.365 9.027 5.063 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -7.581 10.454 2.722 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -6.221 9.595 4.443 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.353 10.296 3.285 1.00 0.00 C ATOM 0 H PHE A 89 -10.372 11.187 4.837 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.382 9.035 6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.520 7.692 5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.514 8.233 4.396 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -9.699 10.011 2.895 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.260 8.470 5.982 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.686 11.012 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.246 9.470 4.891 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.483 10.727 2.813 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.590 9.412 8.306 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.709 9.807 9.392 1.00 0.00 C ATOM 1374 C VAL A 90 -7.562 8.801 9.504 1.00 0.00 C ATOM 1375 O VAL A 90 -7.792 7.594 9.548 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.508 9.949 10.689 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.610 9.748 11.911 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.222 11.301 10.749 1.00 0.00 C ATOM 0 H VAL A 90 -10.192 8.615 8.513 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.267 10.783 9.190 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.269 9.168 10.700 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.203 9.854 12.820 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.170 8.751 11.879 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.816 10.495 11.906 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.782 11.376 11.681 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.486 12.104 10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.907 11.388 9.906 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.350 9.336 9.546 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.166 8.500 9.652 1.00 0.00 C ATOM 1390 C ILE A 91 -4.802 8.323 11.127 1.00 0.00 C ATOM 1391 O ILE A 91 -4.278 9.241 11.756 1.00 0.00 O ATOM 1392 CB ILE A 91 -4.029 9.072 8.802 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.250 8.772 7.318 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.671 8.568 9.293 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.304 9.599 6.445 1.00 0.00 C ATOM 0 H ILE A 91 -6.163 10.338 9.509 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.364 7.506 9.251 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.030 10.156 8.915 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.089 7.710 7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.283 8.991 7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.880 8.989 8.672 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.522 8.875 10.328 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.642 7.480 9.229 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.482 9.367 5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.484 10.660 6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.271 9.360 6.700 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.095 7.136 11.637 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.805 6.826 13.027 1.00 0.00 C ATOM 1409 C ASN A 92 -3.338 6.411 13.157 1.00 0.00 C ATOM 1410 O ASN A 92 -2.907 5.441 12.536 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.671 5.668 13.526 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.557 6.108 14.693 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -6.130 6.797 15.604 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.811 5.673 14.614 1.00 0.00 N ATOM 0 H ASN A 92 -5.530 6.377 11.113 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.016 7.715 13.622 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.294 5.298 12.712 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.033 4.842 13.840 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.481 5.913 15.344 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.103 5.099 13.823 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.612 7.165 13.969 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.203 6.887 14.189 1.00 0.00 C ATOM 1423 C ALA A 93 -0.962 6.645 15.680 1.00 0.00 C ATOM 1424 O ALA A 93 -1.842 6.150 16.383 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.363 8.043 13.642 1.00 0.00 C ATOM 0 H ALA A 93 -2.973 7.969 14.483 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.902 5.985 13.656 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.694 7.835 13.807 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.549 8.154 12.574 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.635 8.965 14.155 1.00 0.00 H new ATOM 1431 N LEU A 94 0.235 7.006 16.120 1.00 0.00 N ATOM 1432 CA LEU A 94 0.603 6.835 17.515 1.00 0.00 C ATOM 1433 C LEU A 94 -0.591 7.196 18.401 1.00 0.00 C ATOM 1434 O LEU A 94 -1.166 6.330 19.058 1.00 0.00 O ATOM 1435 CB LEU A 94 1.870 7.630 17.836 1.00 0.00 C ATOM 1436 CG LEU A 94 3.017 7.497 16.833 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.358 7.842 17.484 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.031 6.106 16.196 1.00 0.00 C ATOM 0 H LEU A 94 0.962 7.416 15.534 1.00 0.00 H new ATOM 0 HA LEU A 94 0.848 5.793 17.719 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.603 8.684 17.915 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.232 7.318 18.816 1.00 0.00 H new ATOM 0 HG LEU A 94 2.853 8.217 16.031 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.156 7.739 16.749 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.331 8.868 17.850 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.543 7.164 18.318 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.856 6.039 15.487 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.157 5.351 16.972 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.089 5.935 15.674 1.00 0.00 H new ATOM 1450 N SER A 95 -0.928 8.478 18.391 1.00 0.00 N ATOM 1451 CA SER A 95 -2.043 8.964 19.185 1.00 0.00 C ATOM 1452 C SER A 95 -2.568 10.278 18.602 1.00 0.00 C ATOM 1453 O SER A 95 -2.950 11.182 19.343 1.00 0.00 O ATOM 1454 CB SER A 95 -1.634 9.159 20.647 1.00 0.00 C ATOM 1455 OG SER A 95 -2.730 9.574 21.457 1.00 0.00 O ATOM 0 H SER A 95 -0.448 9.194 17.846 1.00 0.00 H new ATOM 0 HA SER A 95 -2.836 8.217 19.153 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.228 8.226 21.037 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.839 9.902 20.705 1.00 0.00 H new ATOM 0 HG SER A 95 -3.155 10.360 21.055 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.569 10.341 17.278 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.041 11.529 16.587 1.00 0.00 C ATOM 1463 C GLN A 96 -3.987 11.140 15.449 1.00 0.00 C ATOM 1464 O GLN A 96 -3.949 10.010 14.964 1.00 0.00 O ATOM 1465 CB GLN A 96 -1.868 12.361 16.065 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.335 13.364 15.007 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.183 14.267 14.562 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.043 14.108 14.966 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.543 15.222 13.709 1.00 0.00 N ATOM 0 H GLN A 96 -2.251 9.589 16.666 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.593 12.145 17.297 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.398 12.892 16.892 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.112 11.702 15.638 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.736 12.830 14.146 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.144 13.973 15.410 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.515 15.300 13.411 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.847 15.877 13.353 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.813 12.098 15.055 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.767 11.870 13.984 1.00 0.00 C ATOM 1480 C ARG A 97 -5.646 12.966 12.923 1.00 0.00 C ATOM 1481 O ARG A 97 -6.024 14.112 13.163 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.200 11.844 14.518 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.628 13.228 15.010 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.757 13.121 16.037 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.401 13.876 17.260 1.00 0.00 N ATOM 1486 CZ ARG A 97 -8.536 15.203 17.389 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -9.019 15.929 16.371 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -8.188 15.804 18.535 1.00 0.00 N ATOM 0 H ARG A 97 -4.841 13.034 15.459 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.540 10.901 13.539 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.878 11.507 13.734 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.275 11.125 15.334 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.774 13.740 15.455 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.957 13.833 14.165 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.683 13.512 15.615 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.937 12.075 16.285 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.030 13.354 18.054 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.284 15.471 15.499 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.122 16.939 16.469 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.820 15.251 19.309 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.291 16.814 18.633 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.117 12.576 11.773 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.941 13.511 10.674 1.00 0.00 C ATOM 1504 C TYR A 98 -6.144 13.479 9.729 1.00 0.00 C ATOM 1505 O TYR A 98 -6.489 12.427 9.194 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.699 13.042 9.916 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.409 13.104 10.736 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.142 12.131 11.677 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.511 14.133 10.534 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.928 12.189 12.449 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.297 14.191 11.306 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.065 13.216 12.225 1.00 0.00 C ATOM 1513 OH TYR A 98 1.081 13.271 12.955 1.00 0.00 O ATOM 0 H TYR A 98 -4.804 11.625 11.578 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.841 14.530 11.049 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.856 12.016 9.582 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.579 13.654 9.022 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.844 11.325 11.835 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.719 14.894 9.797 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.708 11.434 13.189 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.413 14.991 11.158 1.00 0.00 H new ATOM 0 HH TYR A 98 0.861 13.266 13.910 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.749 14.645 9.552 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.905 14.763 8.681 1.00 0.00 C ATOM 1525 C PHE A 99 -7.490 15.202 7.275 1.00 0.00 C ATOM 1526 O PHE A 99 -6.880 16.257 7.105 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.815 15.832 9.288 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.527 15.390 10.568 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.309 14.278 10.562 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.377 16.109 11.713 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.969 13.867 11.750 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.037 15.699 12.901 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.819 14.586 12.895 1.00 0.00 C ATOM 0 H PHE A 99 -6.460 15.516 9.997 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.408 13.800 8.598 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.221 16.720 9.503 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.563 16.120 8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.428 13.707 9.653 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.755 16.992 11.718 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.590 12.984 11.745 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.918 16.271 13.810 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.321 14.273 13.799 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.837 14.371 6.303 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.508 14.660 4.918 1.00 0.00 C ATOM 1545 C LEU A 100 -8.786 14.633 4.078 1.00 0.00 C ATOM 1546 O LEU A 100 -9.764 13.985 4.450 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.421 13.707 4.415 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.220 13.511 5.342 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.472 12.374 6.334 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.936 13.296 4.537 1.00 0.00 C ATOM 0 H LEU A 100 -8.343 13.497 6.448 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.088 15.662 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.876 12.734 4.231 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.058 14.076 3.456 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.086 14.422 5.925 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.603 12.256 6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.347 12.608 6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.646 11.447 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.097 13.159 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.043 12.410 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.752 14.166 3.906 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.738 15.344 2.962 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.880 15.410 2.066 1.00 0.00 C ATOM 1564 C GLN A 101 -9.491 14.916 0.672 1.00 0.00 C ATOM 1565 O GLN A 101 -8.475 15.338 0.121 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.449 16.829 2.006 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.869 16.827 1.437 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.444 18.245 1.392 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.910 19.139 0.757 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.559 18.398 2.100 1.00 0.00 N ATOM 0 H GLN A 101 -7.926 15.880 2.657 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.661 14.757 2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.454 17.265 3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.807 17.456 1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.862 16.402 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.509 16.191 2.048 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.953 17.606 2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.021 19.307 2.134 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.318 14.027 0.141 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.073 13.471 -1.179 1.00 0.00 C ATOM 1581 C ALA A 102 -10.812 14.307 -2.226 1.00 0.00 C ATOM 1582 O ALA A 102 -11.379 15.350 -1.904 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.498 12.001 -1.201 1.00 0.00 C ATOM 0 H ALA A 102 -11.159 13.678 0.601 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.010 13.507 -1.419 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.314 11.584 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.923 11.445 -0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.560 11.926 -0.967 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.780 13.818 -3.457 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.440 14.508 -4.552 1.00 0.00 C ATOM 1591 C ASN A 103 -12.822 13.892 -4.778 1.00 0.00 C ATOM 1592 O ASN A 103 -13.818 14.609 -4.869 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.642 14.368 -5.851 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.791 15.613 -6.108 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.203 16.553 -6.768 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.584 15.567 -5.551 1.00 0.00 N ATOM 0 H ASN A 103 -10.308 12.953 -3.720 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.519 15.563 -4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -10.000 13.489 -5.795 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.324 14.211 -6.686 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.940 16.350 -5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.303 14.749 -5.011 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.839 12.570 -4.862 1.00 0.00 N ATOM 1604 CA ASP A 104 -14.083 11.850 -5.076 1.00 0.00 C ATOM 1605 C ASP A 104 -14.251 10.795 -3.980 1.00 0.00 C ATOM 1606 O ASP A 104 -13.734 10.954 -2.876 1.00 0.00 O ATOM 1607 CB ASP A 104 -14.079 11.132 -6.427 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.433 11.913 -7.572 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -12.184 11.946 -7.603 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -14.202 12.461 -8.391 1.00 0.00 O ATOM 0 H ASP A 104 -12.011 11.979 -4.786 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.899 12.572 -5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.557 10.182 -6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -15.108 10.899 -6.701 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.977 9.741 -4.324 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.220 8.661 -3.384 1.00 0.00 C ATOM 1617 C GLN A 105 -14.218 7.526 -3.609 1.00 0.00 C ATOM 1618 O GLN A 105 -13.930 6.757 -2.694 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.658 8.151 -3.493 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.792 6.753 -2.888 1.00 0.00 C ATOM 1621 CD GLN A 105 -18.221 6.225 -3.038 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -19.145 6.947 -3.373 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.349 4.928 -2.772 1.00 0.00 N ATOM 0 H GLN A 105 -15.405 9.613 -5.241 1.00 0.00 H new ATOM 0 HA GLN A 105 -15.082 9.047 -2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.331 8.839 -2.981 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.961 8.129 -4.540 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -16.096 6.072 -3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.520 6.782 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.533 4.381 -2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.263 4.480 -2.844 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.714 7.459 -4.832 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.750 6.431 -5.189 1.00 0.00 C ATOM 1634 C LYS A 106 -11.399 6.762 -4.553 1.00 0.00 C ATOM 1635 O LYS A 106 -10.948 6.064 -3.647 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.689 6.259 -6.708 1.00 0.00 C ATOM 1637 CG LYS A 106 -13.940 5.550 -7.231 1.00 0.00 C ATOM 1638 CD LYS A 106 -13.706 4.987 -8.634 1.00 0.00 C ATOM 1639 CE LYS A 106 -14.507 5.767 -9.678 1.00 0.00 C ATOM 1640 NZ LYS A 106 -13.731 6.930 -10.163 1.00 0.00 N ATOM 0 H LYS A 106 -13.955 8.099 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.060 5.464 -4.794 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.594 7.235 -7.184 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.802 5.685 -6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -14.215 4.742 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.777 6.248 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.644 5.033 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.993 3.936 -8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.757 5.115 -10.515 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.448 6.105 -9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.289 7.449 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.514 7.560 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.844 6.600 -10.595 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.791 7.828 -5.052 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.500 8.261 -4.544 1.00 0.00 C ATOM 1656 C ASP A 107 -9.529 8.247 -3.014 1.00 0.00 C ATOM 1657 O ASP A 107 -8.493 8.087 -2.371 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.178 9.686 -4.998 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.727 9.916 -5.424 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.856 9.202 -4.882 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.521 10.802 -6.282 1.00 0.00 O ATOM 0 H ASP A 107 -11.169 8.405 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.741 7.581 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.831 9.942 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.416 10.373 -4.185 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.728 8.418 -2.475 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.905 8.428 -1.033 1.00 0.00 C ATOM 1668 C LEU A 108 -10.518 7.060 -0.467 1.00 0.00 C ATOM 1669 O LEU A 108 -9.491 6.927 0.197 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.326 8.863 -0.671 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.715 8.726 0.802 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.557 7.470 1.033 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.477 8.761 1.701 1.00 0.00 C ATOM 0 H LEU A 108 -11.586 8.551 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.244 9.163 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.451 9.905 -0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.027 8.278 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.334 9.581 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.820 7.397 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.467 7.527 0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.985 6.590 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.781 8.662 2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.812 7.938 1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.955 9.708 1.564 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.361 6.078 -0.749 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.120 4.726 -0.276 1.00 0.00 C ATOM 1687 C LYS A 109 -9.702 4.300 -0.662 1.00 0.00 C ATOM 1688 O LYS A 109 -8.930 3.857 0.188 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.207 3.777 -0.788 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.273 3.538 0.283 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.583 2.046 0.423 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.789 1.821 1.338 1.00 0.00 C ATOM 1693 NZ LYS A 109 -14.382 1.891 2.759 1.00 0.00 N ATOM 0 H LYS A 109 -12.212 6.192 -1.299 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.181 4.687 0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.671 4.197 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.758 2.827 -1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.929 3.933 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.183 4.080 0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.782 1.618 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.714 1.526 0.826 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.552 2.572 1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.235 0.849 1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.212 1.736 3.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.670 1.158 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.977 2.828 2.958 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.401 4.450 -1.943 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.089 4.087 -2.452 1.00 0.00 C ATOM 1709 C ASP A 110 -7.018 4.544 -1.459 1.00 0.00 C ATOM 1710 O ASP A 110 -6.247 3.729 -0.954 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.811 4.767 -3.794 1.00 0.00 C ATOM 1712 CG ASP A 110 -8.539 4.156 -4.992 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -8.200 3.003 -5.334 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -9.419 4.856 -5.539 1.00 0.00 O ATOM 0 H ASP A 110 -10.043 4.818 -2.645 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.066 3.005 -2.585 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.090 5.818 -3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.738 4.735 -3.985 1.00 0.00 H new ATOM 1719 N TRP A 111 -7.004 5.845 -1.209 1.00 0.00 N ATOM 1720 CA TRP A 111 -6.041 6.420 -0.286 1.00 0.00 C ATOM 1721 C TRP A 111 -6.091 5.612 1.013 1.00 0.00 C ATOM 1722 O TRP A 111 -5.064 5.127 1.486 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.307 7.911 -0.073 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.423 8.828 -0.920 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.787 9.605 -1.949 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -4.002 9.034 -0.767 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.709 10.294 -2.469 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.590 9.935 -1.727 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.096 8.476 0.152 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.262 10.359 -1.861 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.773 8.910 0.005 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.342 9.817 -0.956 1.00 0.00 C ATOM 0 H TRP A 111 -7.645 6.518 -1.630 1.00 0.00 H new ATOM 0 HA TRP A 111 -5.032 6.361 -0.695 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.352 8.119 -0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.157 8.150 0.980 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.797 9.683 -2.325 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.730 10.946 -3.253 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.397 7.769 0.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.964 11.066 -2.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.035 8.512 0.686 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.302 10.102 -1.004 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.295 5.493 1.552 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.492 4.753 2.787 1.00 0.00 C ATOM 1745 C VAL A 112 -6.852 3.369 2.655 1.00 0.00 C ATOM 1746 O VAL A 112 -5.973 3.011 3.438 1.00 0.00 O ATOM 1747 CB VAL A 112 -8.982 4.691 3.128 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.225 3.832 4.370 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.561 6.096 3.311 1.00 0.00 C ATOM 0 H VAL A 112 -8.144 5.896 1.156 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.002 5.261 3.618 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.498 4.222 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.292 3.805 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.866 2.819 4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.690 4.259 5.218 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.621 6.024 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.038 6.602 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.437 6.664 2.389 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.316 2.630 1.658 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.799 1.294 1.414 1.00 0.00 C ATOM 1761 C GLU A 113 -5.274 1.328 1.299 1.00 0.00 C ATOM 1762 O GLU A 113 -4.583 0.532 1.934 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.430 0.683 0.161 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.953 0.825 0.188 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.633 -0.484 -0.218 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.492 -0.852 -1.405 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.278 -1.087 0.666 1.00 0.00 O ATOM 0 H GLU A 113 -8.044 2.931 1.010 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.066 0.662 2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.031 1.173 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.161 -0.371 0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.277 1.112 1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.259 1.623 -0.488 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.794 2.257 0.486 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.363 2.404 0.281 1.00 0.00 C ATOM 1776 C ALA A 114 -2.687 2.695 1.622 1.00 0.00 C ATOM 1777 O ALA A 114 -1.676 2.080 1.958 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.106 3.504 -0.752 1.00 0.00 C ATOM 0 H ALA A 114 -5.370 2.915 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.935 1.481 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.033 3.615 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.582 3.236 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.520 4.446 -0.391 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.272 3.632 2.353 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.738 4.012 3.650 1.00 0.00 C ATOM 1786 C LEU A 115 -2.896 2.842 4.624 1.00 0.00 C ATOM 1787 O LEU A 115 -2.239 2.802 5.663 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.387 5.309 4.138 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.949 6.588 3.422 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.015 7.679 3.548 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.584 7.059 3.928 1.00 0.00 C ATOM 0 H LEU A 115 -4.111 4.140 2.072 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.672 4.225 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.468 5.212 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.175 5.421 5.201 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.840 6.366 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.679 8.578 3.031 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.947 7.331 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.180 7.907 4.601 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.296 7.970 3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.642 7.260 4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.840 6.283 3.744 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.770 1.918 4.252 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.022 0.751 5.079 1.00 0.00 C ATOM 1805 C ASN A 116 -3.075 -0.377 4.664 1.00 0.00 C ATOM 1806 O ASN A 116 -2.888 -1.340 5.406 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.457 0.251 4.905 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.320 0.627 6.111 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.144 0.128 7.211 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.258 1.531 5.846 1.00 0.00 N ATOM 0 H ASN A 116 -4.312 1.954 3.389 1.00 0.00 H new ATOM 0 HA ASN A 116 -3.863 1.035 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -5.887 0.678 3.999 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.456 -0.832 4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.885 1.848 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.351 1.908 4.903 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.503 -0.220 3.479 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.580 -1.213 2.957 1.00 0.00 C ATOM 1819 C GLN A 117 -0.135 -0.766 3.183 1.00 0.00 C ATOM 1820 O GLN A 117 0.659 -1.494 3.776 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.845 -1.481 1.474 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.223 -2.114 1.269 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.174 -3.197 0.190 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.199 -3.353 -0.526 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -4.278 -3.935 0.113 1.00 0.00 N ATOM 0 H GLN A 117 -2.661 0.580 2.866 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.739 -2.147 3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.783 -0.547 0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.075 -2.142 1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.572 -2.546 2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.942 -1.345 0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -5.059 -3.752 0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.344 -4.684 -0.576 1.00 0.00 H new ATOM 1834 N ALA A 118 0.164 0.431 2.698 1.00 0.00 N ATOM 1835 CA ALA A 118 1.500 0.984 2.840 1.00 0.00 C ATOM 1836 C ALA A 118 1.959 0.831 4.291 1.00 0.00 C ATOM 1837 O ALA A 118 3.119 0.514 4.548 1.00 0.00 O ATOM 1838 CB ALA A 118 1.500 2.443 2.379 1.00 0.00 C ATOM 0 H ALA A 118 -0.497 1.033 2.206 1.00 0.00 H new ATOM 0 HA ALA A 118 2.208 0.444 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.502 2.858 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.195 2.494 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.803 3.017 2.989 1.00 0.00 H new ATOM 1844 N SER A 119 1.025 1.063 5.201 1.00 0.00 N ATOM 1845 CA SER A 119 1.320 0.955 6.620 1.00 0.00 C ATOM 1846 C SER A 119 1.431 -0.517 7.021 1.00 0.00 C ATOM 1847 O SER A 119 2.306 -0.887 7.803 1.00 0.00 O ATOM 1848 CB SER A 119 0.248 1.654 7.460 1.00 0.00 C ATOM 1849 OG SER A 119 0.657 2.955 7.872 1.00 0.00 O ATOM 0 H SER A 119 0.064 1.325 4.984 1.00 0.00 H new ATOM 0 HA SER A 119 2.273 1.450 6.810 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.673 1.730 6.882 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.024 1.049 8.339 1.00 0.00 H new ATOM 0 HG SER A 119 0.250 3.627 7.286 1.00 0.00 H new ATOM 1855 N LYS A 120 0.533 -1.318 6.466 1.00 0.00 N ATOM 1856 CA LYS A 120 0.519 -2.742 6.756 1.00 0.00 C ATOM 1857 C LYS A 120 1.647 -3.426 5.981 1.00 0.00 C ATOM 1858 O LYS A 120 1.848 -4.633 6.106 1.00 0.00 O ATOM 1859 CB LYS A 120 -0.864 -3.332 6.477 1.00 0.00 C ATOM 1860 CG LYS A 120 -1.830 -3.032 7.626 1.00 0.00 C ATOM 1861 CD LYS A 120 -2.763 -4.217 7.882 1.00 0.00 C ATOM 1862 CE LYS A 120 -2.315 -5.013 9.109 1.00 0.00 C ATOM 1863 NZ LYS A 120 -3.285 -4.849 10.215 1.00 0.00 N ATOM 0 H LYS A 120 -0.190 -1.008 5.817 1.00 0.00 H new ATOM 0 HA LYS A 120 0.707 -2.917 7.815 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -1.259 -2.920 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.782 -4.410 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -1.266 -2.807 8.531 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.419 -2.146 7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -3.781 -3.857 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -2.778 -4.868 7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -2.223 -6.068 8.852 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -1.329 -4.676 9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -2.966 -5.396 11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -3.353 -3.843 10.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -4.219 -5.193 9.912 1.00 0.00 H new ATOM 1877 N SER A 121 2.354 -2.625 5.197 1.00 0.00 N ATOM 1878 CA SER A 121 3.457 -3.138 4.402 1.00 0.00 C ATOM 1879 C SER A 121 4.305 -4.097 5.240 1.00 0.00 C ATOM 1880 O SER A 121 4.945 -4.999 4.701 1.00 0.00 O ATOM 1881 CB SER A 121 4.322 -1.999 3.860 1.00 0.00 C ATOM 1882 OG SER A 121 5.348 -2.474 2.993 1.00 0.00 O ATOM 0 H SER A 121 2.184 -1.624 5.095 1.00 0.00 H new ATOM 0 HA SER A 121 3.043 -3.679 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.692 -1.290 3.322 1.00 0.00 H new ATOM 0 HB3 SER A 121 4.772 -1.458 4.692 1.00 0.00 H new ATOM 0 HG SER A 121 5.877 -1.716 2.667 1.00 0.00 H new ATOM 1888 N GLY A 122 4.282 -3.870 6.545 1.00 0.00 N ATOM 1889 CA GLY A 122 5.041 -4.702 7.463 1.00 0.00 C ATOM 1890 C GLY A 122 4.306 -4.859 8.796 1.00 0.00 C ATOM 1891 O GLY A 122 3.489 -4.016 9.162 1.00 0.00 O ATOM 0 H GLY A 122 3.750 -3.122 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 122 5.207 -5.683 7.018 1.00 0.00 H new ATOM 0 HA3 GLY A 122 6.022 -4.259 7.634 1.00 0.00 H new ATOM 1895 N PRO A 123 4.631 -5.975 9.503 1.00 0.00 N ATOM 1896 CA PRO A 123 4.011 -6.253 10.787 1.00 0.00 C ATOM 1897 C PRO A 123 4.585 -5.350 11.881 1.00 0.00 C ATOM 1898 O PRO A 123 5.522 -4.592 11.637 1.00 0.00 O ATOM 1899 CB PRO A 123 4.273 -7.730 11.038 1.00 0.00 C ATOM 1900 CG PRO A 123 5.421 -8.112 10.118 1.00 0.00 C ATOM 1901 CD PRO A 123 5.594 -6.996 9.101 1.00 0.00 C ATOM 0 HA PRO A 123 2.941 -6.045 10.791 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.533 -7.909 12.081 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.386 -8.326 10.824 1.00 0.00 H new ATOM 0 HG2 PRO A 123 6.338 -8.253 10.690 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.210 -9.056 9.616 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.612 -6.606 9.111 1.00 0.00 H new ATOM 0 HD3 PRO A 123 5.397 -7.349 8.089 1.00 0.00 H new ATOM 1909 N SER A 124 3.999 -5.461 13.064 1.00 0.00 N ATOM 1910 CA SER A 124 4.440 -4.664 14.196 1.00 0.00 C ATOM 1911 C SER A 124 5.104 -5.562 15.241 1.00 0.00 C ATOM 1912 O SER A 124 4.458 -5.993 16.196 1.00 0.00 O ATOM 1913 CB SER A 124 3.271 -3.899 14.819 1.00 0.00 C ATOM 1914 OG SER A 124 3.592 -2.530 15.050 1.00 0.00 O ATOM 0 H SER A 124 3.222 -6.091 13.263 1.00 0.00 H new ATOM 0 HA SER A 124 5.167 -3.935 13.839 1.00 0.00 H new ATOM 0 HB2 SER A 124 2.404 -3.962 14.161 1.00 0.00 H new ATOM 0 HB3 SER A 124 2.991 -4.370 15.761 1.00 0.00 H new ATOM 0 HG SER A 124 2.820 -2.075 15.447 1.00 0.00 H new ATOM 1920 N SER A 125 6.386 -5.819 15.026 1.00 0.00 N ATOM 1921 CA SER A 125 7.144 -6.658 15.938 1.00 0.00 C ATOM 1922 C SER A 125 6.316 -7.881 16.335 1.00 0.00 C ATOM 1923 O SER A 125 5.759 -7.929 17.431 1.00 0.00 O ATOM 1924 CB SER A 125 7.568 -5.876 17.183 1.00 0.00 C ATOM 1925 OG SER A 125 6.446 -5.417 17.932 1.00 0.00 O ATOM 0 H SER A 125 6.919 -5.461 14.233 1.00 0.00 H new ATOM 0 HA SER A 125 8.047 -6.990 15.426 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.191 -6.509 17.814 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.179 -5.024 16.885 1.00 0.00 H new ATOM 0 HG SER A 125 5.661 -5.962 17.713 1.00 0.00 H new ATOM 1931 N GLY A 126 6.260 -8.840 15.423 1.00 0.00 N ATOM 1932 CA GLY A 126 5.509 -10.060 15.664 1.00 0.00 C ATOM 1933 C GLY A 126 6.033 -11.208 14.798 1.00 0.00 C ATOM 1934 O GLY A 126 6.255 -11.035 13.601 1.00 0.00 O ATOM 0 H GLY A 126 6.723 -8.797 14.515 1.00 0.00 H new ATOM 0 HA2 GLY A 126 5.580 -10.333 16.717 1.00 0.00 H new ATOM 0 HA3 GLY A 126 4.454 -9.890 15.449 1.00 0.00 H new TER 1938 GLY A 126