USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1053 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 80 TYR OH : rot 110:sc= -1.68 USER MOD Set 1.2: A 89 GLN : amide:sc= -3.92! K(o=-5.6!,f=-2.5) USER MOD Set 2.1: A 20 TYR OH : rot 120:sc= 0.361 USER MOD Set 2.2: A 77 SER OG : rot -143:sc= 1.74 USER MOD Single : A 10 MET CE :methyl -161:sc= -1.73 (180deg=-2.55!) USER MOD Single : A 19 CYS SG : rot 69:sc= -0.819 USER MOD Single : A 21 CYS SG : rot 60:sc= -0.536 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.285 K(o=-0.28,f=-2.2!) USER MOD Single : A 29 GLN : amide:sc= -2.34 K(o=-2.3,f=-1.2) USER MOD Single : A 31 MET CE :methyl 141:sc= -1.36 (180deg=-2.87!) USER MOD Single : A 34 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 141:sc= -0.944 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0758 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 72:sc= -1.49 USER MOD Single : A 72 MET CE :methyl -129:sc= -3.98! (180deg=-5.65!) USER MOD Single : A 82 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.34) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -142:sc= -0.0271 (180deg=-0.269) USER MOD Single : A 86 CYS SG : rot 83:sc= -1.58! USER MOD Single : A 90 THR OG1 : rot 90:sc= 1.15 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -1.94! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-5.9!) USER MOD Single : A 102 GLN : amide:sc= -0.474 K(o=-0.47,f=-2.1) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 151:sc= -0.31 (180deg=-1.17!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -146:sc= -0.815 (180deg=-1.25) USER MOD Single : A 113 MET CE :methyl -101:sc= -6.51! (180deg=-13.8!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 154:sc= -1.91 (180deg=-3.18!) USER MOD Single : A 119 SER OG : rot 55:sc= 0.295 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot 63:sc= 0.0467 USER MOD Single : A 129 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.0352 USER MOD Single : A 131 ASN : amide:sc= -0.0386 K(o=-0.039,f=-1.8) USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= -0.149 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 10 -8.437 -11.590 -11.670 1.00 0.00 N ATOM 20 CA MET A 10 -7.100 -11.260 -11.192 1.00 0.00 C ATOM 21 C MET A 10 -6.281 -12.526 -10.957 1.00 0.00 C ATOM 22 O MET A 10 -6.828 -13.568 -10.594 1.00 0.00 O ATOM 23 CB MET A 10 -7.189 -10.447 -9.901 1.00 0.00 C ATOM 24 CG MET A 10 -7.885 -11.183 -8.768 1.00 0.00 C ATOM 25 SD MET A 10 -9.679 -11.197 -8.947 1.00 0.00 S ATOM 26 CE MET A 10 -10.162 -10.158 -7.572 1.00 0.00 C ATOM 0 HA MET A 10 -6.601 -10.664 -11.956 1.00 0.00 H new ATOM 0 HB2 MET A 10 -6.183 -10.174 -9.583 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.722 -9.518 -10.102 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.520 -12.209 -8.728 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.622 -10.714 -7.820 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.212 -10.332 -7.336 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.550 -10.397 -6.702 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.019 -9.111 -7.839 1.00 0.00 H new ATOM 36 N PRO A 11 -4.954 -12.457 -11.161 1.00 0.00 N ATOM 37 CA PRO A 11 -4.063 -13.607 -10.970 1.00 0.00 C ATOM 38 C PRO A 11 -4.245 -14.265 -9.606 1.00 0.00 C ATOM 39 O PRO A 11 -5.128 -13.888 -8.835 1.00 0.00 O ATOM 40 CB PRO A 11 -2.665 -12.997 -11.086 1.00 0.00 C ATOM 41 CG PRO A 11 -2.850 -11.784 -11.930 1.00 0.00 C ATOM 42 CD PRO A 11 -4.217 -11.254 -11.598 1.00 0.00 C ATOM 0 HA PRO A 11 -4.260 -14.397 -11.694 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.263 -12.740 -10.106 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.965 -13.695 -11.545 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.081 -11.041 -11.719 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.773 -12.030 -12.989 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.176 -10.500 -10.812 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.688 -10.787 -12.463 1.00 0.00 H new ATOM 50 N GLU A 12 -3.406 -15.253 -9.315 1.00 0.00 N ATOM 51 CA GLU A 12 -3.474 -15.964 -8.043 1.00 0.00 C ATOM 52 C GLU A 12 -2.421 -15.444 -7.070 1.00 0.00 C ATOM 53 O GLU A 12 -2.621 -15.458 -5.856 1.00 0.00 O ATOM 54 CB GLU A 12 -3.285 -17.466 -8.264 1.00 0.00 C ATOM 55 CG GLU A 12 -4.365 -18.094 -9.130 1.00 0.00 C ATOM 56 CD GLU A 12 -5.487 -18.702 -8.312 1.00 0.00 C ATOM 57 OE1 GLU A 12 -6.033 -17.996 -7.436 1.00 0.00 O ATOM 58 OE2 GLU A 12 -5.820 -19.882 -8.546 1.00 0.00 O ATOM 0 H GLU A 12 -2.671 -15.580 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.459 -15.788 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.314 -17.637 -8.728 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.269 -17.968 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.776 -17.337 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.919 -18.865 -9.758 1.00 0.00 H new ATOM 65 N ARG A 13 -1.297 -14.984 -7.611 1.00 0.00 N ATOM 66 CA ARG A 13 -0.214 -14.456 -6.791 1.00 0.00 C ATOM 67 C ARG A 13 -0.048 -12.955 -7.015 1.00 0.00 C ATOM 68 O ARG A 13 0.150 -12.506 -8.144 1.00 0.00 O ATOM 69 CB ARG A 13 1.097 -15.178 -7.112 1.00 0.00 C ATOM 70 CG ARG A 13 0.941 -16.682 -7.266 1.00 0.00 C ATOM 71 CD ARG A 13 0.588 -17.066 -8.696 1.00 0.00 C ATOM 72 NE ARG A 13 1.631 -17.879 -9.317 1.00 0.00 N ATOM 73 CZ ARG A 13 1.776 -19.186 -9.109 1.00 0.00 C ATOM 74 NH1 ARG A 13 0.947 -19.832 -8.298 1.00 0.00 N ATOM 75 NH2 ARG A 13 2.753 -19.849 -9.711 1.00 0.00 N ATOM 0 H ARG A 13 -1.113 -14.967 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.467 -14.626 -5.744 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.512 -14.768 -8.033 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.817 -14.975 -6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.868 -17.176 -6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.163 -17.039 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.353 -17.617 -8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.433 -16.163 -9.286 1.00 0.00 H new ATOM 0 HE ARG A 13 2.287 -17.418 -9.947 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.194 -19.327 -7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.063 -20.833 -8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.394 -19.358 -10.334 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.864 -20.850 -9.551 1.00 0.00 H new ATOM 89 N PHE A 14 -0.134 -12.185 -5.935 1.00 0.00 N ATOM 90 CA PHE A 14 0.004 -10.736 -6.019 1.00 0.00 C ATOM 91 C PHE A 14 1.144 -10.247 -5.135 1.00 0.00 C ATOM 92 O PHE A 14 1.548 -10.926 -4.192 1.00 0.00 O ATOM 93 CB PHE A 14 -1.303 -10.057 -5.613 1.00 0.00 C ATOM 94 CG PHE A 14 -2.482 -10.513 -6.421 1.00 0.00 C ATOM 95 CD1 PHE A 14 -3.134 -11.696 -6.112 1.00 0.00 C ATOM 96 CD2 PHE A 14 -2.937 -9.761 -7.491 1.00 0.00 C ATOM 97 CE1 PHE A 14 -4.217 -12.121 -6.856 1.00 0.00 C ATOM 98 CE2 PHE A 14 -4.019 -10.180 -8.240 1.00 0.00 C ATOM 99 CZ PHE A 14 -4.660 -11.363 -7.923 1.00 0.00 C ATOM 0 H PHE A 14 -0.298 -12.540 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 14 0.235 -10.475 -7.052 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.495 -10.255 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.193 -8.978 -5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.791 -12.293 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.440 -8.836 -7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.717 -13.045 -6.604 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.364 -9.584 -9.072 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.505 -11.694 -8.508 1.00 0.00 H new ATOM 109 N ASP A 15 1.662 -9.066 -5.450 1.00 0.00 N ATOM 110 CA ASP A 15 2.758 -8.491 -4.685 1.00 0.00 C ATOM 111 C ASP A 15 2.243 -7.780 -3.440 1.00 0.00 C ATOM 112 O ASP A 15 2.451 -8.248 -2.321 1.00 0.00 O ATOM 113 CB ASP A 15 3.561 -7.516 -5.547 1.00 0.00 C ATOM 114 CG ASP A 15 4.599 -8.220 -6.401 1.00 0.00 C ATOM 115 OD1 ASP A 15 4.214 -8.832 -7.418 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.796 -8.157 -6.051 1.00 0.00 O ATOM 0 H ASP A 15 1.341 -8.490 -6.228 1.00 0.00 H new ATOM 0 HA ASP A 15 3.409 -9.307 -4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.881 -6.960 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.056 -6.789 -4.903 1.00 0.00 H new ATOM 121 N ALA A 16 1.576 -6.644 -3.634 1.00 0.00 N ATOM 122 CA ALA A 16 1.049 -5.877 -2.510 1.00 0.00 C ATOM 123 C ALA A 16 -0.373 -5.391 -2.758 1.00 0.00 C ATOM 124 O ALA A 16 -0.922 -5.549 -3.849 1.00 0.00 O ATOM 125 CB ALA A 16 1.959 -4.692 -2.208 1.00 0.00 C ATOM 0 H ALA A 16 1.389 -6.238 -4.551 1.00 0.00 H new ATOM 0 HA ALA A 16 1.020 -6.545 -1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.555 -4.128 -1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.956 -5.054 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.018 -4.046 -3.084 1.00 0.00 H new ATOM 131 N PHE A 17 -0.959 -4.786 -1.729 1.00 0.00 N ATOM 132 CA PHE A 17 -2.316 -4.258 -1.818 1.00 0.00 C ATOM 133 C PHE A 17 -2.360 -2.794 -1.380 1.00 0.00 C ATOM 134 O PHE A 17 -1.960 -2.456 -0.267 1.00 0.00 O ATOM 135 CB PHE A 17 -3.265 -5.091 -0.953 1.00 0.00 C ATOM 136 CG PHE A 17 -4.680 -4.583 -0.946 1.00 0.00 C ATOM 137 CD1 PHE A 17 -5.024 -3.463 -0.204 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.664 -5.225 -1.682 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.324 -2.994 -0.196 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.964 -4.760 -1.676 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.295 -3.643 -0.933 1.00 0.00 C ATOM 0 H PHE A 17 -0.514 -4.649 -0.822 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.637 -4.317 -2.858 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.260 -6.120 -1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.889 -5.108 0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.268 -2.952 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.411 -6.098 -2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.580 -2.121 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.722 -5.269 -2.252 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.311 -3.278 -0.929 1.00 0.00 H new ATOM 151 N ILE A 18 -2.855 -1.933 -2.266 1.00 0.00 N ATOM 152 CA ILE A 18 -2.960 -0.508 -1.975 1.00 0.00 C ATOM 153 C ILE A 18 -4.197 -0.213 -1.130 1.00 0.00 C ATOM 154 O ILE A 18 -5.321 -0.497 -1.541 1.00 0.00 O ATOM 155 CB ILE A 18 -3.032 0.326 -3.271 1.00 0.00 C ATOM 156 CG1 ILE A 18 -1.854 -0.002 -4.190 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.068 1.815 -2.947 1.00 0.00 C ATOM 158 CD1 ILE A 18 -0.520 0.494 -3.674 1.00 0.00 C ATOM 0 H ILE A 18 -3.190 -2.199 -3.192 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.064 -0.230 -1.420 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.952 0.069 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.801 -1.082 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.038 0.435 -5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.119 2.388 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.944 2.033 -2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.167 2.090 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.266 0.224 -4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.552 1.578 -3.565 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.312 0.038 -2.706 1.00 0.00 H new ATOM 170 N CYS A 19 -3.984 0.357 0.052 1.00 0.00 N ATOM 171 CA CYS A 19 -5.089 0.688 0.947 1.00 0.00 C ATOM 172 C CYS A 19 -5.292 2.200 1.047 1.00 0.00 C ATOM 173 O CYS A 19 -4.622 2.875 1.832 1.00 0.00 O ATOM 174 CB CYS A 19 -4.835 0.099 2.337 1.00 0.00 C ATOM 175 SG CYS A 19 -6.062 -1.122 2.857 1.00 0.00 S ATOM 0 H CYS A 19 -3.061 0.599 0.412 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.998 0.253 0.532 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.849 -0.365 2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.814 0.910 3.065 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.940 -2.195 2.133 1.00 0.00 H new ATOM 181 N TYR A 20 -6.226 2.725 0.255 1.00 0.00 N ATOM 182 CA TYR A 20 -6.526 4.155 0.261 1.00 0.00 C ATOM 183 C TYR A 20 -8.010 4.404 -0.006 1.00 0.00 C ATOM 184 O TYR A 20 -8.738 3.498 -0.412 1.00 0.00 O ATOM 185 CB TYR A 20 -5.677 4.884 -0.781 1.00 0.00 C ATOM 186 CG TYR A 20 -5.650 6.387 -0.599 1.00 0.00 C ATOM 187 CD1 TYR A 20 -5.509 6.955 0.662 1.00 0.00 C ATOM 188 CD2 TYR A 20 -5.768 7.240 -1.689 1.00 0.00 C ATOM 189 CE1 TYR A 20 -5.485 8.326 0.831 1.00 0.00 C ATOM 190 CE2 TYR A 20 -5.745 8.613 -1.528 1.00 0.00 C ATOM 191 CZ TYR A 20 -5.602 9.151 -0.267 1.00 0.00 C ATOM 192 OH TYR A 20 -5.578 10.517 -0.103 1.00 0.00 O ATOM 0 H TYR A 20 -6.788 2.180 -0.399 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.284 4.545 1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.657 4.503 -0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.060 4.654 -1.775 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.417 6.313 1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.880 6.824 -2.679 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.375 8.749 1.819 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.839 9.261 -2.387 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.826 10.894 -0.606 1.00 0.00 H new ATOM 202 N CYS A 21 -8.449 5.638 0.221 1.00 0.00 N ATOM 203 CA CYS A 21 -9.842 6.015 0.003 1.00 0.00 C ATOM 204 C CYS A 21 -10.046 6.572 -1.405 1.00 0.00 C ATOM 205 O CYS A 21 -9.119 7.120 -2.005 1.00 0.00 O ATOM 206 CB CYS A 21 -10.286 7.046 1.041 1.00 0.00 C ATOM 207 SG CYS A 21 -9.221 8.504 1.136 1.00 0.00 S ATOM 0 H CYS A 21 -7.857 6.398 0.557 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.452 5.118 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.302 7.366 0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.319 6.569 2.020 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.203 9.104 -0.017 1.00 0.00 H new ATOM 213 N PRO A 22 -11.268 6.438 -1.952 1.00 0.00 N ATOM 214 CA PRO A 22 -11.597 6.925 -3.297 1.00 0.00 C ATOM 215 C PRO A 22 -11.754 8.444 -3.370 1.00 0.00 C ATOM 216 O PRO A 22 -12.088 8.988 -4.423 1.00 0.00 O ATOM 217 CB PRO A 22 -12.930 6.240 -3.597 1.00 0.00 C ATOM 218 CG PRO A 22 -13.558 6.040 -2.261 1.00 0.00 C ATOM 219 CD PRO A 22 -12.425 5.791 -1.301 1.00 0.00 C ATOM 0 HA PRO A 22 -10.803 6.699 -4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.557 6.857 -4.241 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -12.781 5.291 -4.111 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.134 6.917 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.248 5.196 -2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.627 6.224 -0.321 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.255 4.725 -1.149 1.00 0.00 H new ATOM 227 N SER A 23 -11.513 9.130 -2.255 1.00 0.00 N ATOM 228 CA SER A 23 -11.631 10.581 -2.213 1.00 0.00 C ATOM 229 C SER A 23 -10.479 11.225 -2.968 1.00 0.00 C ATOM 230 O SER A 23 -10.647 12.258 -3.617 1.00 0.00 O ATOM 231 CB SER A 23 -11.650 11.073 -0.765 1.00 0.00 C ATOM 232 OG SER A 23 -12.811 10.622 -0.088 1.00 0.00 O ATOM 0 H SER A 23 -11.235 8.703 -1.371 1.00 0.00 H new ATOM 0 HA SER A 23 -12.568 10.866 -2.691 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.761 10.717 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.615 12.162 -0.747 1.00 0.00 H new ATOM 0 HG SER A 23 -12.798 10.948 0.836 1.00 0.00 H new ATOM 238 N ASP A 24 -9.310 10.601 -2.885 1.00 0.00 N ATOM 239 CA ASP A 24 -8.129 11.106 -3.568 1.00 0.00 C ATOM 240 C ASP A 24 -7.354 9.968 -4.228 1.00 0.00 C ATOM 241 O ASP A 24 -6.142 10.057 -4.421 1.00 0.00 O ATOM 242 CB ASP A 24 -7.226 11.858 -2.589 1.00 0.00 C ATOM 243 CG ASP A 24 -6.498 13.014 -3.247 1.00 0.00 C ATOM 244 OD1 ASP A 24 -6.978 13.501 -4.293 1.00 0.00 O ATOM 245 OD2 ASP A 24 -5.447 13.431 -2.717 1.00 0.00 O ATOM 0 H ASP A 24 -9.156 9.745 -2.352 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.457 11.796 -4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.826 12.234 -1.761 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.497 11.166 -2.166 1.00 0.00 H new ATOM 250 N ILE A 25 -8.066 8.898 -4.569 1.00 0.00 N ATOM 251 CA ILE A 25 -7.454 7.735 -5.203 1.00 0.00 C ATOM 252 C ILE A 25 -6.714 8.116 -6.481 1.00 0.00 C ATOM 253 O ILE A 25 -5.600 7.658 -6.719 1.00 0.00 O ATOM 254 CB ILE A 25 -8.516 6.668 -5.537 1.00 0.00 C ATOM 255 CG1 ILE A 25 -7.872 5.447 -6.200 1.00 0.00 C ATOM 256 CG2 ILE A 25 -9.587 7.263 -6.437 1.00 0.00 C ATOM 257 CD1 ILE A 25 -6.675 4.907 -5.447 1.00 0.00 C ATOM 0 H ILE A 25 -9.071 8.812 -4.416 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.738 7.327 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.981 6.339 -4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -8.619 4.658 -6.292 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.564 5.714 -7.211 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.333 6.502 -6.667 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.067 8.099 -5.928 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.130 7.615 -7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.272 4.043 -5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.910 5.680 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.980 4.608 -4.444 1.00 0.00 H new ATOM 269 N GLN A 26 -7.348 8.947 -7.306 1.00 0.00 N ATOM 270 CA GLN A 26 -6.761 9.389 -8.573 1.00 0.00 C ATOM 271 C GLN A 26 -5.257 9.628 -8.450 1.00 0.00 C ATOM 272 O GLN A 26 -4.480 9.235 -9.322 1.00 0.00 O ATOM 273 CB GLN A 26 -7.452 10.664 -9.060 1.00 0.00 C ATOM 274 CG GLN A 26 -8.602 10.404 -10.019 1.00 0.00 C ATOM 275 CD GLN A 26 -8.546 11.286 -11.251 1.00 0.00 C ATOM 276 OE1 GLN A 26 -7.767 12.236 -11.312 1.00 0.00 O ATOM 277 NE2 GLN A 26 -9.375 10.974 -12.240 1.00 0.00 N ATOM 0 H GLN A 26 -8.274 9.331 -7.119 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.914 8.591 -9.300 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.826 11.216 -8.198 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.717 11.301 -9.552 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.585 9.358 -10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.547 10.570 -9.501 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.004 10.177 -12.146 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.383 11.532 -13.094 1.00 0.00 H new ATOM 286 N PHE A 27 -4.858 10.271 -7.363 1.00 0.00 N ATOM 287 CA PHE A 27 -3.450 10.563 -7.122 1.00 0.00 C ATOM 288 C PHE A 27 -2.657 9.279 -6.900 1.00 0.00 C ATOM 289 O PHE A 27 -1.719 8.978 -7.640 1.00 0.00 O ATOM 290 CB PHE A 27 -3.301 11.488 -5.915 1.00 0.00 C ATOM 291 CG PHE A 27 -2.132 12.426 -6.020 1.00 0.00 C ATOM 292 CD1 PHE A 27 -1.951 13.202 -7.152 1.00 0.00 C ATOM 293 CD2 PHE A 27 -1.214 12.530 -4.986 1.00 0.00 C ATOM 294 CE1 PHE A 27 -0.877 14.066 -7.253 1.00 0.00 C ATOM 295 CE2 PHE A 27 -0.139 13.392 -5.082 1.00 0.00 C ATOM 296 CZ PHE A 27 0.031 14.161 -6.217 1.00 0.00 C ATOM 0 H PHE A 27 -5.489 10.601 -6.632 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.051 11.063 -8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.215 12.071 -5.799 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.192 10.883 -5.015 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.657 13.131 -7.966 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.341 11.931 -4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.748 14.666 -8.141 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.569 13.465 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.872 14.835 -6.294 1.00 0.00 H new ATOM 306 N VAL A 28 -3.038 8.525 -5.874 1.00 0.00 N ATOM 307 CA VAL A 28 -2.363 7.275 -5.552 1.00 0.00 C ATOM 308 C VAL A 28 -2.357 6.327 -6.747 1.00 0.00 C ATOM 309 O VAL A 28 -1.300 5.870 -7.180 1.00 0.00 O ATOM 310 CB VAL A 28 -3.028 6.573 -4.353 1.00 0.00 C ATOM 311 CG1 VAL A 28 -2.198 5.378 -3.905 1.00 0.00 C ATOM 312 CG2 VAL A 28 -3.225 7.552 -3.208 1.00 0.00 C ATOM 0 H VAL A 28 -3.811 8.759 -5.251 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.335 7.528 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.007 6.209 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.684 4.895 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.111 4.667 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.204 5.715 -3.610 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.696 7.040 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.258 7.946 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.863 8.373 -3.537 1.00 0.00 H new ATOM 322 N GLN A 29 -3.541 6.034 -7.278 1.00 0.00 N ATOM 323 CA GLN A 29 -3.667 5.143 -8.422 1.00 0.00 C ATOM 324 C GLN A 29 -2.701 5.542 -9.533 1.00 0.00 C ATOM 325 O GLN A 29 -2.150 4.685 -10.220 1.00 0.00 O ATOM 326 CB GLN A 29 -5.109 5.145 -8.938 1.00 0.00 C ATOM 327 CG GLN A 29 -5.509 6.428 -9.650 1.00 0.00 C ATOM 328 CD GLN A 29 -6.815 6.286 -10.407 1.00 0.00 C ATOM 329 OE1 GLN A 29 -6.827 5.936 -11.588 1.00 0.00 O ATOM 330 NE2 GLN A 29 -7.926 6.560 -9.732 1.00 0.00 N ATOM 0 H GLN A 29 -4.427 6.403 -6.932 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.411 4.134 -8.100 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.241 4.306 -9.621 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.785 4.982 -8.099 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.601 7.232 -8.920 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.719 6.717 -10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.871 6.847 -8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.834 6.484 -10.191 1.00 0.00 H new ATOM 339 N GLU A 30 -2.492 6.844 -9.698 1.00 0.00 N ATOM 340 CA GLU A 30 -1.580 7.342 -10.722 1.00 0.00 C ATOM 341 C GLU A 30 -0.161 6.858 -10.440 1.00 0.00 C ATOM 342 O GLU A 30 0.558 6.426 -11.343 1.00 0.00 O ATOM 343 CB GLU A 30 -1.616 8.872 -10.770 1.00 0.00 C ATOM 344 CG GLU A 30 -2.331 9.423 -11.993 1.00 0.00 C ATOM 345 CD GLU A 30 -1.669 10.673 -12.541 1.00 0.00 C ATOM 346 OE1 GLU A 30 -1.278 11.539 -11.732 1.00 0.00 O ATOM 347 OE2 GLU A 30 -1.542 10.784 -13.778 1.00 0.00 O ATOM 0 H GLU A 30 -2.939 7.571 -9.139 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.899 6.956 -11.690 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.109 9.244 -9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.595 9.252 -10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.356 8.659 -12.770 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.366 9.648 -11.734 1.00 0.00 H new ATOM 354 N MET A 31 0.233 6.928 -9.174 1.00 0.00 N ATOM 355 CA MET A 31 1.560 6.491 -8.763 1.00 0.00 C ATOM 356 C MET A 31 1.682 4.972 -8.876 1.00 0.00 C ATOM 357 O MET A 31 2.635 4.458 -9.461 1.00 0.00 O ATOM 358 CB MET A 31 1.837 6.937 -7.324 1.00 0.00 C ATOM 359 CG MET A 31 3.106 6.349 -6.727 1.00 0.00 C ATOM 360 SD MET A 31 3.318 6.774 -4.988 1.00 0.00 S ATOM 361 CE MET A 31 1.696 6.377 -4.341 1.00 0.00 C ATOM 0 H MET A 31 -0.348 7.283 -8.415 1.00 0.00 H new ATOM 0 HA MET A 31 2.297 6.947 -9.424 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.906 8.025 -7.299 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.990 6.657 -6.698 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.083 5.264 -6.832 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.967 6.706 -7.292 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.799 5.919 -3.357 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.105 7.289 -4.257 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.196 5.681 -5.015 1.00 0.00 H new ATOM 371 N ILE A 32 0.710 4.264 -8.310 1.00 0.00 N ATOM 372 CA ILE A 32 0.707 2.807 -8.341 1.00 0.00 C ATOM 373 C ILE A 32 0.676 2.274 -9.769 1.00 0.00 C ATOM 374 O ILE A 32 1.496 1.437 -10.140 1.00 0.00 O ATOM 375 CB ILE A 32 -0.493 2.232 -7.560 1.00 0.00 C ATOM 376 CG1 ILE A 32 -0.604 2.890 -6.178 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.368 0.722 -7.426 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.725 3.068 -5.473 1.00 0.00 C ATOM 0 H ILE A 32 -0.086 4.677 -7.824 1.00 0.00 H new ATOM 0 HA ILE A 32 1.633 2.484 -7.865 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.403 2.453 -8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.079 3.865 -6.288 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.259 2.285 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.223 0.334 -6.872 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.342 0.270 -8.417 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.551 0.479 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.562 3.539 -4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.194 2.095 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.376 3.699 -6.078 1.00 0.00 H new ATOM 390 N ARG A 33 -0.268 2.764 -10.571 1.00 0.00 N ATOM 391 CA ARG A 33 -0.383 2.329 -11.955 1.00 0.00 C ATOM 392 C ARG A 33 0.924 2.575 -12.696 1.00 0.00 C ATOM 393 O ARG A 33 1.302 1.812 -13.585 1.00 0.00 O ATOM 394 CB ARG A 33 -1.536 3.059 -12.647 1.00 0.00 C ATOM 395 CG ARG A 33 -1.319 4.555 -12.790 1.00 0.00 C ATOM 396 CD ARG A 33 -0.648 4.903 -14.109 1.00 0.00 C ATOM 397 NE ARG A 33 -1.388 4.384 -15.258 1.00 0.00 N ATOM 398 CZ ARG A 33 -2.425 5.005 -15.817 1.00 0.00 C ATOM 399 NH1 ARG A 33 -2.855 6.164 -15.333 1.00 0.00 N ATOM 400 NH2 ARG A 33 -3.035 4.464 -16.862 1.00 0.00 N ATOM 0 H ARG A 33 -0.959 3.458 -10.285 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.593 1.259 -11.969 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.685 2.627 -13.637 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.453 2.887 -12.083 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.277 5.070 -12.723 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.705 4.914 -11.964 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.559 5.986 -14.195 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.364 4.498 -14.118 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.092 3.492 -15.656 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.391 6.584 -14.528 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.650 6.634 -15.766 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.710 3.573 -17.237 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.829 4.939 -17.291 1.00 0.00 H new ATOM 414 N GLN A 34 1.618 3.643 -12.312 1.00 0.00 N ATOM 415 CA GLN A 34 2.892 3.985 -12.921 1.00 0.00 C ATOM 416 C GLN A 34 3.995 3.070 -12.396 1.00 0.00 C ATOM 417 O GLN A 34 5.053 2.936 -13.012 1.00 0.00 O ATOM 418 CB GLN A 34 3.241 5.445 -12.628 1.00 0.00 C ATOM 419 CG GLN A 34 2.531 6.435 -13.535 1.00 0.00 C ATOM 420 CD GLN A 34 2.899 6.255 -14.995 1.00 0.00 C ATOM 421 OE1 GLN A 34 2.063 5.878 -15.815 1.00 0.00 O ATOM 422 NE2 GLN A 34 4.156 6.526 -15.325 1.00 0.00 N ATOM 0 H GLN A 34 1.315 4.285 -11.580 1.00 0.00 H new ATOM 0 HA GLN A 34 2.808 3.850 -13.999 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.988 5.669 -11.592 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.318 5.580 -12.730 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.453 6.320 -13.419 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.779 7.450 -13.224 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.815 6.836 -14.611 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.463 6.424 -16.293 1.00 0.00 H new ATOM 431 N LEU A 35 3.739 2.444 -11.249 1.00 0.00 N ATOM 432 CA LEU A 35 4.699 1.547 -10.631 1.00 0.00 C ATOM 433 C LEU A 35 4.473 0.097 -11.059 1.00 0.00 C ATOM 434 O LEU A 35 5.418 -0.687 -11.145 1.00 0.00 O ATOM 435 CB LEU A 35 4.597 1.653 -9.109 1.00 0.00 C ATOM 436 CG LEU A 35 5.205 2.918 -8.500 1.00 0.00 C ATOM 437 CD1 LEU A 35 5.184 2.841 -6.980 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.623 3.126 -9.005 1.00 0.00 C ATOM 0 H LEU A 35 2.867 2.546 -10.730 1.00 0.00 H new ATOM 0 HA LEU A 35 5.695 1.844 -10.960 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.545 1.603 -8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.087 0.785 -8.667 1.00 0.00 H new ATOM 0 HG LEU A 35 4.603 3.772 -8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.620 3.749 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.155 2.742 -6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.762 1.977 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.038 4.031 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.238 2.270 -8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.612 3.227 -10.090 1.00 0.00 H new ATOM 450 N GLU A 36 3.214 -0.260 -11.306 1.00 0.00 N ATOM 451 CA GLU A 36 2.868 -1.625 -11.698 1.00 0.00 C ATOM 452 C GLU A 36 2.808 -1.794 -13.217 1.00 0.00 C ATOM 453 O GLU A 36 2.728 -2.918 -13.714 1.00 0.00 O ATOM 454 CB GLU A 36 1.528 -2.027 -11.080 1.00 0.00 C ATOM 455 CG GLU A 36 0.355 -1.200 -11.580 1.00 0.00 C ATOM 456 CD GLU A 36 -0.736 -1.046 -10.538 1.00 0.00 C ATOM 457 OE1 GLU A 36 -1.362 -2.064 -10.180 1.00 0.00 O ATOM 458 OE2 GLU A 36 -0.963 0.095 -10.081 1.00 0.00 O ATOM 0 H GLU A 36 2.418 0.375 -11.242 1.00 0.00 H new ATOM 0 HA GLU A 36 3.658 -2.277 -11.325 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.339 -3.078 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.594 -1.931 -9.996 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.711 -0.213 -11.877 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.062 -1.669 -12.471 1.00 0.00 H new ATOM 465 N GLN A 37 2.840 -0.688 -13.952 1.00 0.00 N ATOM 466 CA GLN A 37 2.782 -0.747 -15.407 1.00 0.00 C ATOM 467 C GLN A 37 3.926 -1.586 -15.972 1.00 0.00 C ATOM 468 O GLN A 37 3.843 -2.081 -17.096 1.00 0.00 O ATOM 469 CB GLN A 37 2.828 0.662 -15.994 1.00 0.00 C ATOM 470 CG GLN A 37 3.882 1.553 -15.360 1.00 0.00 C ATOM 471 CD GLN A 37 4.421 2.596 -16.320 1.00 0.00 C ATOM 472 OE1 GLN A 37 5.626 2.680 -16.551 1.00 0.00 O ATOM 473 NE2 GLN A 37 3.524 3.398 -16.884 1.00 0.00 N ATOM 0 H GLN A 37 2.905 0.254 -13.567 1.00 0.00 H new ATOM 0 HA GLN A 37 1.842 -1.222 -15.687 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.019 0.594 -17.065 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.850 1.128 -15.874 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.455 2.052 -14.490 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.705 0.936 -15.001 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.534 3.292 -16.662 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.825 4.120 -17.538 1.00 0.00 H new ATOM 555 N LEU A 42 5.983 -5.743 -10.520 1.00 0.00 N ATOM 556 CA LEU A 42 5.156 -5.230 -9.434 1.00 0.00 C ATOM 557 C LEU A 42 3.682 -5.545 -9.669 1.00 0.00 C ATOM 558 O LEU A 42 3.101 -5.143 -10.678 1.00 0.00 O ATOM 559 CB LEU A 42 5.350 -3.719 -9.290 1.00 0.00 C ATOM 560 CG LEU A 42 4.755 -3.109 -8.018 1.00 0.00 C ATOM 561 CD1 LEU A 42 5.819 -2.986 -6.938 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.136 -1.752 -8.315 1.00 0.00 C ATOM 0 HA LEU A 42 5.468 -5.722 -8.512 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.418 -3.501 -9.315 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.904 -3.227 -10.154 1.00 0.00 H new ATOM 0 HG LEU A 42 3.970 -3.772 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.378 -2.551 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.216 -3.974 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.626 -2.345 -7.294 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.718 -1.334 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.901 -1.080 -8.704 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.344 -1.867 -9.055 1.00 0.00 H new ATOM 574 N LYS A 43 3.085 -6.268 -8.728 1.00 0.00 N ATOM 575 CA LYS A 43 1.679 -6.642 -8.819 1.00 0.00 C ATOM 576 C LYS A 43 0.898 -6.112 -7.621 1.00 0.00 C ATOM 577 O LYS A 43 0.752 -6.795 -6.608 1.00 0.00 O ATOM 578 CB LYS A 43 1.541 -8.163 -8.902 1.00 0.00 C ATOM 579 CG LYS A 43 2.120 -8.755 -10.176 1.00 0.00 C ATOM 580 CD LYS A 43 1.451 -8.176 -11.415 1.00 0.00 C ATOM 581 CE LYS A 43 2.438 -7.416 -12.288 1.00 0.00 C ATOM 582 NZ LYS A 43 2.627 -8.071 -13.612 1.00 0.00 N ATOM 0 H LYS A 43 3.556 -6.608 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 43 1.266 -6.197 -9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.039 -8.613 -8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.486 -8.429 -8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.192 -8.559 -10.215 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.994 -9.838 -10.165 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.999 -8.982 -11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.644 -7.509 -11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.082 -6.396 -12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.398 -7.348 -11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.307 -7.523 -14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.991 -9.035 -13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.716 -8.113 -14.112 1.00 0.00 H new ATOM 596 N LEU A 44 0.398 -4.889 -7.748 1.00 0.00 N ATOM 597 CA LEU A 44 -0.368 -4.265 -6.679 1.00 0.00 C ATOM 598 C LEU A 44 -1.862 -4.442 -6.915 1.00 0.00 C ATOM 599 O LEU A 44 -2.295 -4.678 -8.043 1.00 0.00 O ATOM 600 CB LEU A 44 -0.012 -2.782 -6.569 1.00 0.00 C ATOM 601 CG LEU A 44 1.185 -2.487 -5.665 1.00 0.00 C ATOM 602 CD1 LEU A 44 1.741 -1.102 -5.937 1.00 0.00 C ATOM 603 CD2 LEU A 44 0.788 -2.623 -4.208 1.00 0.00 C ATOM 0 H LEU A 44 0.510 -4.311 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.113 -4.754 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.197 -2.396 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.879 -2.239 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 44 1.967 -3.214 -5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.592 -0.916 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.063 -1.037 -6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.968 -0.356 -5.749 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.649 -2.410 -3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.012 -1.918 -3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.441 -3.639 -4.019 1.00 0.00 H new ATOM 615 N CYS A 45 -2.648 -4.345 -5.847 1.00 0.00 N ATOM 616 CA CYS A 45 -4.092 -4.516 -5.960 1.00 0.00 C ATOM 617 C CYS A 45 -4.841 -3.640 -4.962 1.00 0.00 C ATOM 618 O CYS A 45 -4.249 -3.078 -4.046 1.00 0.00 O ATOM 619 CB CYS A 45 -4.454 -5.983 -5.747 1.00 0.00 C ATOM 620 SG CYS A 45 -4.423 -6.979 -7.273 1.00 0.00 S ATOM 0 H CYS A 45 -2.314 -4.151 -4.903 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.392 -4.206 -6.961 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.761 -6.417 -5.027 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.449 -6.041 -5.307 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.928 -8.153 -7.015 1.00 0.00 H new ATOM 625 N VAL A 46 -6.155 -3.531 -5.151 1.00 0.00 N ATOM 626 CA VAL A 46 -6.992 -2.723 -4.271 1.00 0.00 C ATOM 627 C VAL A 46 -8.320 -3.422 -3.984 1.00 0.00 C ATOM 628 O VAL A 46 -8.534 -4.561 -4.395 1.00 0.00 O ATOM 629 CB VAL A 46 -7.276 -1.334 -4.879 1.00 0.00 C ATOM 630 CG1 VAL A 46 -5.988 -0.538 -5.029 1.00 0.00 C ATOM 631 CG2 VAL A 46 -7.985 -1.471 -6.218 1.00 0.00 C ATOM 0 H VAL A 46 -6.661 -3.993 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.440 -2.595 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.932 -0.791 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.212 0.438 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.526 -0.406 -4.051 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.302 -1.075 -5.684 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.177 -0.481 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.356 -2.036 -6.906 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.931 -1.995 -6.077 1.00 0.00 H new ATOM 641 N SER A 47 -9.210 -2.729 -3.280 1.00 0.00 N ATOM 642 CA SER A 47 -10.518 -3.282 -2.944 1.00 0.00 C ATOM 643 C SER A 47 -11.619 -2.601 -3.751 1.00 0.00 C ATOM 644 O SER A 47 -11.421 -1.514 -4.295 1.00 0.00 O ATOM 645 CB SER A 47 -10.796 -3.123 -1.448 1.00 0.00 C ATOM 646 OG SER A 47 -10.457 -1.822 -1.001 1.00 0.00 O ATOM 0 H SER A 47 -9.050 -1.784 -2.931 1.00 0.00 H new ATOM 0 HA SER A 47 -10.510 -4.343 -3.194 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.850 -3.316 -1.248 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.225 -3.863 -0.888 1.00 0.00 H new ATOM 0 HG SER A 47 -10.646 -1.746 -0.042 1.00 0.00 H new ATOM 781 N VAL A 57 -8.814 -1.372 -13.895 1.00 0.00 N ATOM 782 CA VAL A 57 -7.577 -1.278 -13.129 1.00 0.00 C ATOM 783 C VAL A 57 -7.326 -2.553 -12.331 1.00 0.00 C ATOM 784 O VAL A 57 -8.107 -3.503 -12.397 1.00 0.00 O ATOM 785 CB VAL A 57 -7.607 -0.079 -12.162 1.00 0.00 C ATOM 786 CG1 VAL A 57 -7.588 1.232 -12.934 1.00 0.00 C ATOM 787 CG2 VAL A 57 -8.825 -0.152 -11.254 1.00 0.00 C ATOM 0 HA VAL A 57 -6.769 -1.138 -13.847 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.715 -0.120 -11.537 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.610 2.067 -12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.681 1.287 -13.536 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.460 1.283 -13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.827 0.704 -10.579 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.731 -0.139 -11.859 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.790 -1.073 -10.672 1.00 0.00 H new ATOM 797 N TRP A 58 -6.232 -2.566 -11.576 1.00 0.00 N ATOM 798 CA TRP A 58 -5.875 -3.718 -10.765 1.00 0.00 C ATOM 799 C TRP A 58 -6.654 -3.717 -9.452 1.00 0.00 C ATOM 800 O TRP A 58 -6.500 -2.812 -8.630 1.00 0.00 O ATOM 801 CB TRP A 58 -4.371 -3.710 -10.485 1.00 0.00 C ATOM 802 CG TRP A 58 -3.688 -4.976 -10.893 1.00 0.00 C ATOM 803 CD1 TRP A 58 -4.031 -6.240 -10.518 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.552 -5.105 -11.754 1.00 0.00 C ATOM 805 NE1 TRP A 58 -3.174 -7.151 -11.088 1.00 0.00 N ATOM 806 CE2 TRP A 58 -2.257 -6.478 -11.852 1.00 0.00 C ATOM 807 CE3 TRP A 58 -1.754 -4.194 -12.451 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -1.199 -6.960 -12.620 1.00 0.00 C ATOM 809 CZ3 TRP A 58 -0.704 -4.673 -13.213 1.00 0.00 C ATOM 810 CH2 TRP A 58 -0.437 -6.045 -13.292 1.00 0.00 C ATOM 0 H TRP A 58 -5.577 -1.787 -11.511 1.00 0.00 H new ATOM 0 HA TRP A 58 -6.133 -4.623 -11.315 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.914 -2.872 -11.012 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.207 -3.544 -9.420 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.856 -6.490 -9.868 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.214 -8.162 -10.963 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.954 -3.134 -12.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.989 -8.017 -12.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.080 -3.978 -13.756 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.389 -6.388 -13.897 1.00 0.00 H new ATOM 821 N SER A 59 -7.493 -4.731 -9.264 1.00 0.00 N ATOM 822 CA SER A 59 -8.298 -4.842 -8.053 1.00 0.00 C ATOM 823 C SER A 59 -8.214 -6.246 -7.464 1.00 0.00 C ATOM 824 O SER A 59 -7.774 -7.184 -8.129 1.00 0.00 O ATOM 825 CB SER A 59 -9.756 -4.488 -8.354 1.00 0.00 C ATOM 826 OG SER A 59 -10.283 -3.618 -7.369 1.00 0.00 O ATOM 0 H SER A 59 -7.633 -5.487 -9.934 1.00 0.00 H new ATOM 0 HA SER A 59 -7.902 -4.140 -7.319 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.824 -4.016 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 59 -10.353 -5.399 -8.396 1.00 0.00 H new ATOM 0 HG SER A 59 -11.215 -3.406 -7.585 1.00 0.00 H new ATOM 832 N ILE A 60 -8.639 -6.384 -6.211 1.00 0.00 N ATOM 833 CA ILE A 60 -8.612 -7.676 -5.535 1.00 0.00 C ATOM 834 C ILE A 60 -9.494 -7.667 -4.289 1.00 0.00 C ATOM 835 O ILE A 60 -9.773 -6.612 -3.720 1.00 0.00 O ATOM 836 CB ILE A 60 -7.170 -8.075 -5.140 1.00 0.00 C ATOM 837 CG1 ILE A 60 -6.994 -9.595 -5.236 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.827 -7.577 -3.739 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.818 -10.129 -4.446 1.00 0.00 C ATOM 0 H ILE A 60 -9.005 -5.619 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 60 -9.001 -8.411 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.481 -7.601 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.905 -10.079 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.871 -9.871 -6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.808 -7.871 -3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.909 -6.490 -3.709 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.519 -8.013 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.761 -11.211 -4.565 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.897 -9.675 -4.812 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.948 -9.886 -3.391 1.00 0.00 H new ATOM 851 N ALA A 61 -9.916 -8.853 -3.863 1.00 0.00 N ATOM 852 CA ALA A 61 -10.747 -8.983 -2.675 1.00 0.00 C ATOM 853 C ALA A 61 -9.906 -8.810 -1.416 1.00 0.00 C ATOM 854 O ALA A 61 -8.737 -9.198 -1.382 1.00 0.00 O ATOM 855 CB ALA A 61 -11.448 -10.334 -2.669 1.00 0.00 C ATOM 0 H ALA A 61 -9.696 -9.736 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.505 -8.200 -2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.066 -10.419 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.077 -10.422 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.704 -11.130 -2.672 1.00 0.00 H new ATOM 861 N SER A 62 -10.498 -8.221 -0.385 1.00 0.00 N ATOM 862 CA SER A 62 -9.792 -7.994 0.870 1.00 0.00 C ATOM 863 C SER A 62 -9.442 -9.311 1.563 1.00 0.00 C ATOM 864 O SER A 62 -8.634 -9.335 2.492 1.00 0.00 O ATOM 865 CB SER A 62 -10.633 -7.121 1.804 1.00 0.00 C ATOM 866 OG SER A 62 -9.844 -6.110 2.406 1.00 0.00 O ATOM 0 H SER A 62 -11.464 -7.892 -0.393 1.00 0.00 H new ATOM 0 HA SER A 62 -8.861 -7.477 0.636 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.449 -6.664 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.086 -7.742 2.577 1.00 0.00 H new ATOM 0 HG SER A 62 -10.405 -5.565 2.996 1.00 0.00 H new ATOM 872 N GLU A 63 -10.052 -10.404 1.112 1.00 0.00 N ATOM 873 CA GLU A 63 -9.796 -11.715 1.698 1.00 0.00 C ATOM 874 C GLU A 63 -8.594 -12.391 1.041 1.00 0.00 C ATOM 875 O GLU A 63 -8.028 -13.336 1.592 1.00 0.00 O ATOM 876 CB GLU A 63 -11.032 -12.608 1.568 1.00 0.00 C ATOM 877 CG GLU A 63 -11.653 -12.591 0.181 1.00 0.00 C ATOM 878 CD GLU A 63 -12.324 -13.903 -0.175 1.00 0.00 C ATOM 879 OE1 GLU A 63 -11.703 -14.965 0.045 1.00 0.00 O ATOM 880 OE2 GLU A 63 -13.469 -13.870 -0.671 1.00 0.00 O ATOM 0 H GLU A 63 -10.725 -10.407 0.345 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.570 -11.568 2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.758 -13.632 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.779 -12.288 2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.386 -11.786 0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.881 -12.371 -0.556 1.00 0.00 H new ATOM 887 N LEU A 64 -8.207 -11.908 -0.137 1.00 0.00 N ATOM 888 CA LEU A 64 -7.077 -12.469 -0.857 1.00 0.00 C ATOM 889 C LEU A 64 -5.785 -11.722 -0.533 1.00 0.00 C ATOM 890 O LEU A 64 -4.708 -12.108 -0.982 1.00 0.00 O ATOM 891 CB LEU A 64 -7.333 -12.421 -2.363 1.00 0.00 C ATOM 892 CG LEU A 64 -8.803 -12.390 -2.780 1.00 0.00 C ATOM 893 CD1 LEU A 64 -8.931 -12.337 -4.296 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.537 -13.599 -2.225 1.00 0.00 C ATOM 0 H LEU A 64 -8.663 -11.128 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.963 -13.506 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.839 -11.538 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.861 -13.290 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.258 -11.489 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.985 -12.316 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.439 -11.439 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.460 -13.218 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.583 -13.562 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.079 -14.511 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.477 -13.593 -1.137 1.00 0.00 H new ATOM 906 N ILE A 65 -5.899 -10.644 0.240 1.00 0.00 N ATOM 907 CA ILE A 65 -4.737 -9.849 0.607 1.00 0.00 C ATOM 908 C ILE A 65 -3.804 -10.620 1.535 1.00 0.00 C ATOM 909 O ILE A 65 -2.682 -10.960 1.162 1.00 0.00 O ATOM 910 CB ILE A 65 -5.152 -8.532 1.294 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.199 -7.801 0.450 1.00 0.00 C ATOM 912 CG2 ILE A 65 -3.935 -7.647 1.523 1.00 0.00 C ATOM 913 CD1 ILE A 65 -6.633 -6.476 1.041 1.00 0.00 C ATOM 0 H ILE A 65 -6.782 -10.305 0.621 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.210 -9.620 -0.319 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.592 -8.767 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.795 -7.630 -0.548 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.073 -8.442 0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.244 -6.721 2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.220 -8.169 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.468 -7.416 0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.376 -6.013 0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.067 -6.642 2.027 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.769 -5.817 1.131 1.00 0.00 H new ATOM 925 N GLU A 66 -4.274 -10.887 2.749 1.00 0.00 N ATOM 926 CA GLU A 66 -3.485 -11.609 3.736 1.00 0.00 C ATOM 927 C GLU A 66 -3.072 -12.988 3.226 1.00 0.00 C ATOM 928 O GLU A 66 -2.122 -13.584 3.732 1.00 0.00 O ATOM 929 CB GLU A 66 -4.283 -11.751 5.031 1.00 0.00 C ATOM 930 CG GLU A 66 -5.673 -12.332 4.830 1.00 0.00 C ATOM 931 CD GLU A 66 -6.366 -12.650 6.141 1.00 0.00 C ATOM 932 OE1 GLU A 66 -6.025 -13.682 6.759 1.00 0.00 O ATOM 933 OE2 GLU A 66 -7.250 -11.868 6.550 1.00 0.00 O ATOM 0 H GLU A 66 -5.202 -10.612 3.072 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.576 -11.037 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.729 -12.387 5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.372 -10.772 5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.280 -11.625 4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.600 -13.240 4.232 1.00 0.00 H new ATOM 940 N LYS A 67 -3.790 -13.495 2.229 1.00 0.00 N ATOM 941 CA LYS A 67 -3.492 -14.808 1.668 1.00 0.00 C ATOM 942 C LYS A 67 -2.545 -14.698 0.476 1.00 0.00 C ATOM 943 O LYS A 67 -1.478 -15.310 0.461 1.00 0.00 O ATOM 944 CB LYS A 67 -4.783 -15.509 1.242 1.00 0.00 C ATOM 945 CG LYS A 67 -5.731 -15.794 2.398 1.00 0.00 C ATOM 946 CD LYS A 67 -5.854 -17.287 2.665 1.00 0.00 C ATOM 947 CE LYS A 67 -6.449 -18.019 1.473 1.00 0.00 C ATOM 948 NZ LYS A 67 -5.747 -19.302 1.202 1.00 0.00 N ATOM 0 H LYS A 67 -4.580 -13.018 1.794 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.001 -15.398 2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.297 -14.891 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.531 -16.448 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.372 -15.291 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.715 -15.382 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.871 -17.699 2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.479 -17.450 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.505 -18.215 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.393 -17.381 0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.183 -19.770 0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.744 -19.113 1.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.822 -19.921 2.034 1.00 0.00 H new ATOM 962 N ARG A 68 -2.949 -13.923 -0.526 1.00 0.00 N ATOM 963 CA ARG A 68 -2.140 -13.742 -1.726 1.00 0.00 C ATOM 964 C ARG A 68 -1.139 -12.603 -1.557 1.00 0.00 C ATOM 965 O ARG A 68 0.073 -12.819 -1.593 1.00 0.00 O ATOM 966 CB ARG A 68 -3.040 -13.467 -2.933 1.00 0.00 C ATOM 967 CG ARG A 68 -4.287 -14.338 -2.975 1.00 0.00 C ATOM 968 CD ARG A 68 -5.048 -14.161 -4.277 1.00 0.00 C ATOM 969 NE ARG A 68 -6.118 -15.145 -4.424 1.00 0.00 N ATOM 970 CZ ARG A 68 -5.908 -16.441 -4.642 1.00 0.00 C ATOM 971 NH1 ARG A 68 -4.671 -16.913 -4.739 1.00 0.00 N ATOM 972 NH2 ARG A 68 -6.938 -17.269 -4.763 1.00 0.00 N ATOM 0 H ARG A 68 -3.831 -13.411 -0.531 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.581 -14.663 -1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.339 -12.419 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.466 -13.624 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.005 -15.384 -2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.936 -14.086 -2.136 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.471 -13.157 -4.316 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.357 -14.249 -5.115 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.082 -14.820 -4.356 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.875 -16.281 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.516 -17.907 -4.906 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.891 -16.912 -4.689 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.777 -18.262 -4.930 1.00 0.00 H new ATOM 986 N CYS A 69 -1.651 -11.390 -1.376 1.00 0.00 N ATOM 987 CA CYS A 69 -0.799 -10.217 -1.206 1.00 0.00 C ATOM 988 C CYS A 69 0.170 -10.404 -0.043 1.00 0.00 C ATOM 989 O CYS A 69 -0.241 -10.671 1.086 1.00 0.00 O ATOM 990 CB CYS A 69 -1.654 -8.970 -0.977 1.00 0.00 C ATOM 991 SG CYS A 69 -2.785 -8.592 -2.335 1.00 0.00 S ATOM 0 H CYS A 69 -2.651 -11.193 -1.343 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.217 -10.090 -2.119 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.232 -9.102 -0.063 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -0.996 -8.116 -0.818 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.751 -9.461 -2.350 1.00 0.00 H new ATOM 997 N ARG A 70 1.461 -10.265 -0.327 1.00 0.00 N ATOM 998 CA ARG A 70 2.488 -10.422 0.697 1.00 0.00 C ATOM 999 C ARG A 70 2.801 -9.091 1.376 1.00 0.00 C ATOM 1000 O ARG A 70 3.126 -9.053 2.564 1.00 0.00 O ATOM 1001 CB ARG A 70 3.761 -11.012 0.087 1.00 0.00 C ATOM 1002 CG ARG A 70 4.350 -12.156 0.896 1.00 0.00 C ATOM 1003 CD ARG A 70 5.646 -11.750 1.580 1.00 0.00 C ATOM 1004 NE ARG A 70 5.906 -12.544 2.779 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.415 -13.773 2.757 1.00 0.00 C ATOM 1006 NH1 ARG A 70 6.712 -14.356 1.601 1.00 0.00 N ATOM 1007 NH2 ARG A 70 6.625 -14.424 3.893 1.00 0.00 N ATOM 0 H ARG A 70 1.820 -10.044 -1.256 1.00 0.00 H new ATOM 0 HA ARG A 70 2.104 -11.107 1.453 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.541 -11.366 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.507 -10.223 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.629 -12.481 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.535 -13.008 0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.475 -11.865 0.882 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.599 -10.694 1.848 1.00 0.00 H new ATOM 0 HE ARG A 70 5.684 -12.132 3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.550 -13.861 0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.102 -15.298 1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.396 -13.983 4.784 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.015 -15.366 3.876 1.00 0.00 H new ATOM 1021 N ARG A 71 2.703 -8.000 0.621 1.00 0.00 N ATOM 1022 CA ARG A 71 2.980 -6.672 1.162 1.00 0.00 C ATOM 1023 C ARG A 71 1.755 -5.764 1.053 1.00 0.00 C ATOM 1024 O ARG A 71 0.779 -6.091 0.378 1.00 0.00 O ATOM 1025 CB ARG A 71 4.178 -6.031 0.451 1.00 0.00 C ATOM 1026 CG ARG A 71 4.357 -6.477 -0.992 1.00 0.00 C ATOM 1027 CD ARG A 71 5.030 -7.836 -1.077 1.00 0.00 C ATOM 1028 NE ARG A 71 5.754 -8.013 -2.335 1.00 0.00 N ATOM 1029 CZ ARG A 71 6.568 -9.035 -2.585 1.00 0.00 C ATOM 1030 NH1 ARG A 71 6.769 -9.973 -1.667 1.00 0.00 N ATOM 1031 NH2 ARG A 71 7.184 -9.121 -3.756 1.00 0.00 N ATOM 0 H ARG A 71 2.435 -8.009 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 71 3.225 -6.792 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.062 -4.947 0.473 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.085 -6.266 1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.385 -6.520 -1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.954 -5.740 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.721 -7.951 -0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.278 -8.619 -0.978 1.00 0.00 H new ATOM 0 HE ARG A 71 5.627 -7.311 -3.064 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.298 -9.912 -0.764 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.394 -10.754 -1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.034 -8.403 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.808 -9.905 -3.948 1.00 0.00 H new ATOM 1045 N MET A 72 1.812 -4.624 1.728 1.00 0.00 N ATOM 1046 CA MET A 72 0.707 -3.676 1.716 1.00 0.00 C ATOM 1047 C MET A 72 1.213 -2.241 1.589 1.00 0.00 C ATOM 1048 O MET A 72 2.275 -1.894 2.106 1.00 0.00 O ATOM 1049 CB MET A 72 -0.128 -3.832 2.991 1.00 0.00 C ATOM 1050 CG MET A 72 -1.164 -2.736 3.190 1.00 0.00 C ATOM 1051 SD MET A 72 -2.706 -3.354 3.892 1.00 0.00 S ATOM 1052 CE MET A 72 -3.144 -4.610 2.692 1.00 0.00 C ATOM 0 H MET A 72 2.612 -4.334 2.291 1.00 0.00 H new ATOM 0 HA MET A 72 0.082 -3.890 0.849 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.635 -4.797 2.965 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.541 -3.846 3.852 1.00 0.00 H new ATOM 0 HG2 MET A 72 -0.753 -1.968 3.846 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.371 -2.259 2.232 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.174 -4.461 2.368 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.479 -4.538 1.831 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.046 -5.596 3.145 1.00 0.00 H new ATOM 1062 N VAL A 73 0.435 -1.411 0.905 1.00 0.00 N ATOM 1063 CA VAL A 73 0.785 -0.012 0.715 1.00 0.00 C ATOM 1064 C VAL A 73 -0.326 0.882 1.247 1.00 0.00 C ATOM 1065 O VAL A 73 -1.310 1.145 0.555 1.00 0.00 O ATOM 1066 CB VAL A 73 1.032 0.312 -0.771 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.482 1.755 -0.939 1.00 0.00 C ATOM 1068 CG2 VAL A 73 2.056 -0.646 -1.361 1.00 0.00 C ATOM 0 H VAL A 73 -0.446 -1.686 0.471 1.00 0.00 H new ATOM 0 HA VAL A 73 1.707 0.175 1.266 1.00 0.00 H new ATOM 0 HB VAL A 73 0.094 0.186 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.651 1.963 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.711 2.424 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.407 1.914 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.219 -0.403 -2.411 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.996 -0.554 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.688 -1.669 -1.278 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.173 1.334 2.486 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.174 2.181 3.112 1.00 0.00 C ATOM 1080 C VAL A 74 -0.912 3.654 2.827 1.00 0.00 C ATOM 1081 O VAL A 74 0.232 4.104 2.828 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.220 1.967 4.638 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -2.472 2.598 5.225 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -1.153 0.484 4.973 1.00 0.00 C ATOM 0 H VAL A 74 0.634 1.127 3.074 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.135 1.897 2.682 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.352 2.454 5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.489 2.438 6.303 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.472 3.668 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.354 2.141 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.187 0.353 6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.000 -0.030 4.519 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.224 0.065 4.586 1.00 0.00 H new ATOM 1094 N VAL A 75 -1.984 4.397 2.588 1.00 0.00 N ATOM 1095 CA VAL A 75 -1.880 5.821 2.309 1.00 0.00 C ATOM 1096 C VAL A 75 -2.616 6.623 3.380 1.00 0.00 C ATOM 1097 O VAL A 75 -3.829 6.821 3.297 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.445 6.160 0.916 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.466 7.666 0.685 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -1.639 5.462 -0.168 1.00 0.00 C ATOM 0 H VAL A 75 -2.938 4.035 2.582 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.824 6.089 2.321 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.473 5.800 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.869 7.877 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.092 8.141 1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.452 8.059 0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.051 5.712 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.601 5.790 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.687 4.383 -0.019 1.00 0.00 H new ATOM 1110 N VAL A 76 -1.877 7.069 4.389 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.460 7.833 5.487 1.00 0.00 C ATOM 1112 C VAL A 76 -2.600 9.309 5.131 1.00 0.00 C ATOM 1113 O VAL A 76 -1.652 10.084 5.253 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.618 7.698 6.772 1.00 0.00 C ATOM 1115 CG1 VAL A 76 -0.201 8.201 6.542 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -2.278 8.440 7.928 1.00 0.00 C ATOM 0 H VAL A 76 -0.872 6.915 4.470 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.452 7.418 5.665 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.563 6.642 7.036 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.376 8.097 7.461 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.269 7.617 5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.230 9.251 6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.668 8.332 8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.370 9.497 7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.268 8.023 8.110 1.00 0.00 H new ATOM 1126 N SER A 77 -3.796 9.693 4.702 1.00 0.00 N ATOM 1127 CA SER A 77 -4.069 11.076 4.339 1.00 0.00 C ATOM 1128 C SER A 77 -5.335 11.573 5.031 1.00 0.00 C ATOM 1129 O SER A 77 -6.233 10.789 5.334 1.00 0.00 O ATOM 1130 CB SER A 77 -4.212 11.211 2.821 1.00 0.00 C ATOM 1131 OG SER A 77 -5.546 10.976 2.404 1.00 0.00 O ATOM 0 H SER A 77 -4.593 9.064 4.597 1.00 0.00 H new ATOM 0 HA SER A 77 -3.229 11.688 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.903 12.210 2.512 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.545 10.504 2.327 1.00 0.00 H new ATOM 0 HG SER A 77 -5.542 10.499 1.548 1.00 0.00 H new ATOM 1137 N ASP A 78 -5.395 12.878 5.278 1.00 0.00 N ATOM 1138 CA ASP A 78 -6.550 13.498 5.934 1.00 0.00 C ATOM 1139 C ASP A 78 -7.872 12.906 5.440 1.00 0.00 C ATOM 1140 O ASP A 78 -8.715 12.489 6.235 1.00 0.00 O ATOM 1141 CB ASP A 78 -6.545 15.006 5.670 1.00 0.00 C ATOM 1142 CG ASP A 78 -6.320 15.812 6.928 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -5.426 15.443 7.714 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -7.038 16.814 7.130 1.00 0.00 O ATOM 0 H ASP A 78 -4.653 13.534 5.033 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.468 13.299 7.003 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.765 15.242 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.495 15.296 5.221 1.00 0.00 H new ATOM 1149 N ASP A 79 -8.047 12.895 4.125 1.00 0.00 N ATOM 1150 CA ASP A 79 -9.269 12.383 3.508 1.00 0.00 C ATOM 1151 C ASP A 79 -9.466 10.887 3.764 1.00 0.00 C ATOM 1152 O ASP A 79 -10.550 10.353 3.530 1.00 0.00 O ATOM 1153 CB ASP A 79 -9.242 12.645 2.001 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.802 14.009 1.643 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -10.885 14.360 2.156 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -9.155 14.726 0.850 1.00 0.00 O ATOM 0 H ASP A 79 -7.354 13.237 3.459 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.107 12.910 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.216 12.570 1.640 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.817 11.873 1.490 1.00 0.00 H new ATOM 1161 N TYR A 80 -8.423 10.213 4.236 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.503 8.783 4.508 1.00 0.00 C ATOM 1163 C TYR A 80 -8.902 8.527 5.956 1.00 0.00 C ATOM 1164 O TYR A 80 -9.612 7.567 6.254 1.00 0.00 O ATOM 1165 CB TYR A 80 -7.160 8.114 4.209 1.00 0.00 C ATOM 1166 CG TYR A 80 -7.165 6.616 4.412 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -8.251 5.844 4.020 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -6.080 5.973 4.994 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -8.257 4.474 4.204 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -6.077 4.603 5.181 1.00 0.00 C ATOM 1171 CZ TYR A 80 -7.168 3.859 4.784 1.00 0.00 C ATOM 1172 OH TYR A 80 -7.169 2.496 4.967 1.00 0.00 O ATOM 0 H TYR A 80 -7.515 10.632 4.438 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.268 8.355 3.860 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.878 8.330 3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.395 8.555 4.848 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.105 6.322 3.564 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.224 6.553 5.306 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.110 3.889 3.895 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.225 4.119 5.635 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.524 2.083 4.355 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.432 9.386 6.851 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.726 9.254 8.265 1.00 0.00 C ATOM 1184 C LEU A 81 -10.106 9.806 8.599 1.00 0.00 C ATOM 1185 O LEU A 81 -10.760 9.344 9.534 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.657 9.974 9.077 1.00 0.00 C ATOM 1187 CG LEU A 81 -6.245 9.436 8.882 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -5.203 10.515 9.130 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -6.014 8.262 9.803 1.00 0.00 C ATOM 0 H LEU A 81 -7.842 10.185 6.617 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.724 8.194 8.520 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.669 11.031 8.813 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.915 9.907 10.134 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.143 9.108 7.847 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.206 10.099 8.983 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.359 11.339 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.296 10.882 10.152 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.003 7.881 9.660 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.138 8.581 10.838 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.734 7.475 9.577 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.546 10.794 7.829 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.847 11.400 8.041 1.00 0.00 C ATOM 1203 C GLN A 82 -12.971 10.411 7.730 1.00 0.00 C ATOM 1204 O GLN A 82 -14.134 10.659 8.055 1.00 0.00 O ATOM 1205 CB GLN A 82 -11.988 12.647 7.168 1.00 0.00 C ATOM 1206 CG GLN A 82 -12.082 12.344 5.680 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.547 13.539 4.871 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -11.942 14.610 4.917 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -13.632 13.361 4.125 1.00 0.00 N ATOM 0 H GLN A 82 -10.017 11.190 7.052 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.926 11.684 9.090 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -12.878 13.196 7.475 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.134 13.301 7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.107 12.021 5.316 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.771 11.514 5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -14.102 12.456 4.117 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.994 14.129 3.561 1.00 0.00 H new ATOM 1218 N SER A 83 -12.621 9.296 7.093 1.00 0.00 N ATOM 1219 CA SER A 83 -13.604 8.280 6.736 1.00 0.00 C ATOM 1220 C SER A 83 -13.398 7.002 7.544 1.00 0.00 C ATOM 1221 O SER A 83 -12.367 6.825 8.192 1.00 0.00 O ATOM 1222 CB SER A 83 -13.524 7.969 5.241 1.00 0.00 C ATOM 1223 OG SER A 83 -14.789 7.586 4.730 1.00 0.00 O ATOM 0 H SER A 83 -11.665 9.075 6.814 1.00 0.00 H new ATOM 0 HA SER A 83 -14.593 8.675 6.969 1.00 0.00 H new ATOM 0 HB2 SER A 83 -13.161 8.845 4.703 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.803 7.170 5.071 1.00 0.00 H new ATOM 0 HG SER A 83 -14.710 7.394 3.772 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.389 6.116 7.499 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.327 4.856 8.222 1.00 0.00 C ATOM 1231 C LYS A 84 -13.438 3.847 7.495 1.00 0.00 C ATOM 1232 O LYS A 84 -12.935 2.901 8.101 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.732 4.281 8.388 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.784 5.320 8.751 1.00 0.00 C ATOM 1235 CD LYS A 84 -16.420 6.062 10.026 1.00 0.00 C ATOM 1236 CE LYS A 84 -16.958 7.484 10.015 1.00 0.00 C ATOM 1237 NZ LYS A 84 -15.932 8.461 9.558 1.00 0.00 N ATOM 0 H LYS A 84 -15.248 6.252 6.965 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.894 5.049 9.204 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.025 3.790 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.711 3.514 9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.891 6.032 7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.750 4.832 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.821 5.527 10.887 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.336 6.083 10.140 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.828 7.538 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.295 7.753 11.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.017 9.338 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.983 8.057 9.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.078 8.672 8.550 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.248 4.051 6.193 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.420 3.157 5.391 1.00 0.00 C ATOM 1253 C GLU A 85 -11.071 2.914 6.060 1.00 0.00 C ATOM 1254 O GLU A 85 -10.531 1.807 6.014 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.210 3.740 3.991 1.00 0.00 C ATOM 1256 CG GLU A 85 -13.506 4.033 3.253 1.00 0.00 C ATOM 1257 CD GLU A 85 -13.542 3.421 1.865 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -13.068 2.276 1.710 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -14.045 4.087 0.937 1.00 0.00 O ATOM 0 H GLU A 85 -13.656 4.827 5.673 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.939 2.202 5.306 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.632 4.661 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.616 3.042 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.345 3.652 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.638 5.112 3.173 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.536 3.954 6.691 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.256 3.850 7.376 1.00 0.00 C ATOM 1268 C CYS A 86 -9.425 3.128 8.707 1.00 0.00 C ATOM 1269 O CYS A 86 -8.516 2.441 9.168 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.653 5.238 7.602 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.072 5.222 8.482 1.00 0.00 S ATOM 0 H CYS A 86 -10.969 4.876 6.741 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.576 3.274 6.748 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.514 5.724 6.636 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.363 5.844 8.164 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.109 4.992 7.640 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.600 3.280 9.313 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.883 2.629 10.585 1.00 0.00 C ATOM 1279 C ASP A 87 -10.801 1.117 10.430 1.00 0.00 C ATOM 1280 O ASP A 87 -10.246 0.422 11.281 1.00 0.00 O ATOM 1281 CB ASP A 87 -12.267 3.034 11.099 1.00 0.00 C ATOM 1282 CG ASP A 87 -12.200 4.164 12.109 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -11.481 5.150 11.850 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.867 4.060 13.160 1.00 0.00 O ATOM 0 H ASP A 87 -11.366 3.845 8.945 1.00 0.00 H new ATOM 0 HA ASP A 87 -10.137 2.950 11.312 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.889 3.339 10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.749 2.170 11.556 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.339 0.616 9.324 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.310 -0.810 9.039 1.00 0.00 C ATOM 1291 C PHE A 88 -9.878 -1.245 8.761 1.00 0.00 C ATOM 1292 O PHE A 88 -9.400 -2.247 9.298 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.204 -1.136 7.840 1.00 0.00 C ATOM 1294 CG PHE A 88 -12.442 -2.606 7.649 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -11.558 -3.374 6.907 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -13.549 -3.220 8.213 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -11.777 -4.728 6.730 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -13.772 -4.573 8.038 1.00 0.00 C ATOM 1299 CZ PHE A 88 -12.885 -5.328 7.295 1.00 0.00 C ATOM 0 H PHE A 88 -11.801 1.179 8.610 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.689 -1.352 9.905 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.164 -0.635 7.966 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.748 -0.730 6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.690 -2.910 6.463 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -14.245 -2.635 8.796 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.081 -5.316 6.150 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -14.639 -5.040 8.482 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.058 -6.385 7.156 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.187 -0.462 7.936 1.00 0.00 N ATOM 1310 CA GLN A 89 -7.798 -0.744 7.603 1.00 0.00 C ATOM 1311 C GLN A 89 -6.967 -0.797 8.879 1.00 0.00 C ATOM 1312 O GLN A 89 -6.122 -1.673 9.048 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.253 0.327 6.656 1.00 0.00 C ATOM 1314 CG GLN A 89 -5.823 0.076 6.209 1.00 0.00 C ATOM 1315 CD GLN A 89 -4.831 0.987 6.901 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -5.014 2.203 6.949 1.00 0.00 O ATOM 1317 NE2 GLN A 89 -3.771 0.401 7.442 1.00 0.00 N ATOM 0 H GLN A 89 -9.568 0.371 7.488 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.739 -1.709 7.100 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.895 0.383 5.777 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.305 1.297 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -5.560 -0.962 6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -5.752 0.219 5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.660 -0.611 7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.067 0.962 7.922 1.00 0.00 H new ATOM 1326 N THR A 90 -7.237 0.143 9.782 1.00 0.00 N ATOM 1327 CA THR A 90 -6.546 0.213 11.063 1.00 0.00 C ATOM 1328 C THR A 90 -6.637 -1.102 11.796 1.00 0.00 C ATOM 1329 O THR A 90 -5.630 -1.765 12.010 1.00 0.00 O ATOM 1330 CB THR A 90 -7.141 1.335 11.920 1.00 0.00 C ATOM 1331 OG1 THR A 90 -7.151 2.562 11.213 1.00 0.00 O ATOM 1332 CG2 THR A 90 -6.399 1.560 13.218 1.00 0.00 C ATOM 0 H THR A 90 -7.937 0.872 9.646 1.00 0.00 H new ATOM 0 HA THR A 90 -5.494 0.427 10.874 1.00 0.00 H new ATOM 0 HB THR A 90 -8.154 1.006 12.152 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.994 2.649 10.720 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.875 2.368 13.774 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.423 0.647 13.813 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.364 1.827 13.004 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.844 -1.480 12.179 1.00 0.00 N ATOM 1341 CA LYS A 91 -8.053 -2.727 12.900 1.00 0.00 C ATOM 1342 C LYS A 91 -7.352 -3.889 12.210 1.00 0.00 C ATOM 1343 O LYS A 91 -6.963 -4.862 12.855 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.546 -3.014 13.041 1.00 0.00 C ATOM 1345 CG LYS A 91 -10.164 -2.416 14.295 1.00 0.00 C ATOM 1346 CD LYS A 91 -10.019 -0.903 14.317 1.00 0.00 C ATOM 1347 CE LYS A 91 -10.557 -0.311 15.611 1.00 0.00 C ATOM 1348 NZ LYS A 91 -10.821 1.149 15.487 1.00 0.00 N ATOM 0 H LYS A 91 -8.694 -0.944 12.004 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.619 -2.617 13.894 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.067 -2.623 12.167 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.701 -4.093 13.048 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.220 -2.683 14.345 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.686 -2.842 15.177 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.969 -0.635 14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.552 -0.473 13.469 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.478 -0.824 15.889 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.841 -0.483 16.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.186 1.514 16.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.938 1.642 15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.524 1.312 14.738 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.182 -3.782 10.898 1.00 0.00 N ATOM 1363 CA PHE A 92 -6.514 -4.828 10.138 1.00 0.00 C ATOM 1364 C PHE A 92 -5.012 -4.566 10.062 1.00 0.00 C ATOM 1365 O PHE A 92 -4.220 -5.486 9.857 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.105 -4.930 8.729 1.00 0.00 C ATOM 1367 CG PHE A 92 -7.443 -6.334 8.318 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -8.583 -6.957 8.802 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -6.622 -7.032 7.447 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -8.895 -8.249 8.426 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -6.930 -8.325 7.067 1.00 0.00 C ATOM 1372 CZ PHE A 92 -8.068 -8.934 7.557 1.00 0.00 C ATOM 0 H PHE A 92 -7.496 -2.986 10.342 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.674 -5.775 10.653 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.006 -4.319 8.677 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.395 -4.513 8.015 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.234 -6.426 9.481 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.731 -6.560 7.060 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.785 -8.724 8.811 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.281 -8.858 6.388 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.311 -9.944 7.262 1.00 0.00 H new ATOM 1382 N ALA A 93 -4.628 -3.303 10.231 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.222 -2.919 10.186 1.00 0.00 C ATOM 1384 C ALA A 93 -2.593 -2.959 11.573 1.00 0.00 C ATOM 1385 O ALA A 93 -1.392 -3.188 11.718 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.073 -1.539 9.574 1.00 0.00 C ATOM 0 H ALA A 93 -5.271 -2.530 10.400 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.695 -3.640 9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.018 -1.265 9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.473 -1.546 8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.621 -0.813 10.175 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.411 -2.741 12.592 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.945 -2.758 13.967 1.00 0.00 C ATOM 1394 C LEU A 94 -2.959 -4.173 14.496 1.00 0.00 C ATOM 1395 O LEU A 94 -1.997 -4.653 15.093 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.844 -1.874 14.826 1.00 0.00 C ATOM 1397 CG LEU A 94 -5.354 -2.109 14.697 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -5.821 -3.193 15.638 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -6.113 -0.817 14.961 1.00 0.00 C ATOM 0 H LEU A 94 -4.407 -2.549 12.489 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.925 -2.375 14.004 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.564 -2.014 15.870 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.638 -0.833 14.578 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.558 -2.438 13.678 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.895 -3.336 15.523 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.304 -4.124 15.406 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.602 -2.902 16.665 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.184 -0.998 14.866 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.892 -0.465 15.969 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.807 -0.061 14.238 1.00 0.00 H new ATOM 1411 N SER A 95 -4.074 -4.825 14.255 1.00 0.00 N ATOM 1412 CA SER A 95 -4.277 -6.204 14.684 1.00 0.00 C ATOM 1413 C SER A 95 -4.167 -7.159 13.498 1.00 0.00 C ATOM 1414 O SER A 95 -5.059 -7.971 13.256 1.00 0.00 O ATOM 1415 CB SER A 95 -5.642 -6.356 15.358 1.00 0.00 C ATOM 1416 OG SER A 95 -5.651 -5.742 16.635 1.00 0.00 O ATOM 0 H SER A 95 -4.868 -4.422 13.758 1.00 0.00 H new ATOM 0 HA SER A 95 -3.499 -6.456 15.404 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.413 -5.909 14.730 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.886 -7.414 15.458 1.00 0.00 H new ATOM 0 HG SER A 95 -6.535 -5.851 17.044 1.00 0.00 H new ATOM 1422 N LEU A 96 -3.064 -7.054 12.763 1.00 0.00 N ATOM 1423 CA LEU A 96 -2.839 -7.913 11.602 1.00 0.00 C ATOM 1424 C LEU A 96 -2.281 -9.267 12.031 1.00 0.00 C ATOM 1425 O LEU A 96 -3.010 -10.255 12.115 1.00 0.00 O ATOM 1426 CB LEU A 96 -1.886 -7.262 10.584 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.295 -5.908 10.978 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.128 -6.086 11.940 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -0.849 -5.159 9.736 1.00 0.00 C ATOM 0 H LEU A 96 -2.315 -6.387 12.948 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.806 -8.057 11.120 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.064 -7.952 10.395 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.422 -7.140 9.643 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.065 -5.327 11.486 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.276 -5.109 12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.473 -6.594 12.841 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.649 -6.683 11.463 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.429 -4.195 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.093 -5.743 9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.705 -5.001 9.080 1.00 0.00 H new ATOM 1441 N SER A 97 -0.980 -9.300 12.297 1.00 0.00 N ATOM 1442 CA SER A 97 -0.304 -10.521 12.713 1.00 0.00 C ATOM 1443 C SER A 97 0.657 -10.237 13.867 1.00 0.00 C ATOM 1444 O SER A 97 0.858 -9.082 14.242 1.00 0.00 O ATOM 1445 CB SER A 97 0.458 -11.131 11.533 1.00 0.00 C ATOM 1446 OG SER A 97 0.031 -10.571 10.303 1.00 0.00 O ATOM 0 H SER A 97 -0.369 -8.486 12.231 1.00 0.00 H new ATOM 0 HA SER A 97 -1.056 -11.232 13.055 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.527 -10.962 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.305 -12.210 11.517 1.00 0.00 H new ATOM 0 HG SER A 97 0.535 -10.977 9.567 1.00 0.00 H new ATOM 1452 N PRO A 98 1.266 -11.285 14.447 1.00 0.00 N ATOM 1453 CA PRO A 98 2.205 -11.130 15.560 1.00 0.00 C ATOM 1454 C PRO A 98 3.574 -10.637 15.101 1.00 0.00 C ATOM 1455 O PRO A 98 4.572 -11.350 15.207 1.00 0.00 O ATOM 1456 CB PRO A 98 2.306 -12.546 16.126 1.00 0.00 C ATOM 1457 CG PRO A 98 2.057 -13.435 14.958 1.00 0.00 C ATOM 1458 CD PRO A 98 1.087 -12.702 14.068 1.00 0.00 C ATOM 0 HA PRO A 98 1.868 -10.387 16.283 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.288 -12.730 16.562 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.571 -12.711 16.914 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.985 -13.650 14.428 1.00 0.00 H new ATOM 0 HG3 PRO A 98 1.644 -14.392 15.278 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.309 -12.866 13.013 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.062 -13.034 14.233 1.00 0.00 H new ATOM 1466 N GLY A 99 3.614 -9.409 14.587 1.00 0.00 N ATOM 1467 CA GLY A 99 4.866 -8.841 14.122 1.00 0.00 C ATOM 1468 C GLY A 99 4.789 -8.370 12.682 1.00 0.00 C ATOM 1469 O GLY A 99 5.692 -8.631 11.888 1.00 0.00 O ATOM 0 H GLY A 99 2.802 -8.800 14.485 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.141 -8.002 14.761 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.657 -9.586 14.216 1.00 0.00 H new ATOM 1473 N ALA A 100 3.707 -7.674 12.345 1.00 0.00 N ATOM 1474 CA ALA A 100 3.516 -7.166 10.992 1.00 0.00 C ATOM 1475 C ALA A 100 2.855 -5.790 11.010 1.00 0.00 C ATOM 1476 O ALA A 100 1.941 -5.520 10.232 1.00 0.00 O ATOM 1477 CB ALA A 100 2.685 -8.147 10.179 1.00 0.00 C ATOM 0 H ALA A 100 2.950 -7.449 12.991 1.00 0.00 H new ATOM 0 HA ALA A 100 4.495 -7.060 10.524 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.548 -7.759 9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.199 -9.107 10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.712 -8.279 10.652 1.00 0.00 H new ATOM 1483 N HIS A 101 3.324 -4.923 11.902 1.00 0.00 N ATOM 1484 CA HIS A 101 2.776 -3.575 12.018 1.00 0.00 C ATOM 1485 C HIS A 101 3.380 -2.647 10.970 1.00 0.00 C ATOM 1486 O HIS A 101 2.687 -1.807 10.396 1.00 0.00 O ATOM 1487 CB HIS A 101 3.030 -3.020 13.422 1.00 0.00 C ATOM 1488 CG HIS A 101 1.777 -2.785 14.207 1.00 0.00 C ATOM 1489 ND1 HIS A 101 1.291 -1.527 14.493 1.00 0.00 N ATOM 1490 CD2 HIS A 101 0.906 -3.659 14.767 1.00 0.00 C ATOM 1491 CE1 HIS A 101 0.177 -1.636 15.195 1.00 0.00 C ATOM 1492 NE2 HIS A 101 -0.079 -2.918 15.374 1.00 0.00 N ATOM 0 H HIS A 101 4.081 -5.129 12.554 1.00 0.00 H new ATOM 0 HA HIS A 101 1.701 -3.630 11.846 1.00 0.00 H new ATOM 0 HB2 HIS A 101 3.667 -3.715 13.969 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.579 -2.082 13.339 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.973 -4.737 14.741 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.422 -0.815 15.560 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -0.879 -3.297 15.881 1.00 0.00 H new ATOM 1501 N GLN A 102 4.674 -2.807 10.728 1.00 0.00 N ATOM 1502 CA GLN A 102 5.377 -1.986 9.747 1.00 0.00 C ATOM 1503 C GLN A 102 6.396 -2.814 8.974 1.00 0.00 C ATOM 1504 O GLN A 102 7.408 -2.293 8.505 1.00 0.00 O ATOM 1505 CB GLN A 102 6.074 -0.812 10.438 1.00 0.00 C ATOM 1506 CG GLN A 102 7.096 -1.239 11.479 1.00 0.00 C ATOM 1507 CD GLN A 102 7.931 -0.079 11.987 1.00 0.00 C ATOM 1508 OE1 GLN A 102 8.298 0.816 11.226 1.00 0.00 O ATOM 1509 NE2 GLN A 102 8.235 -0.091 13.278 1.00 0.00 N ATOM 0 H GLN A 102 5.260 -3.498 11.197 1.00 0.00 H new ATOM 0 HA GLN A 102 4.642 -1.598 9.042 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.569 -0.200 9.684 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.322 -0.184 10.915 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.581 -1.706 12.318 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.754 -1.994 11.049 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.909 -0.854 13.872 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.795 0.662 13.677 1.00 0.00 H new ATOM 1518 N LYS A 103 6.121 -4.107 8.844 1.00 0.00 N ATOM 1519 CA LYS A 103 7.010 -5.012 8.129 1.00 0.00 C ATOM 1520 C LYS A 103 6.455 -5.347 6.748 1.00 0.00 C ATOM 1521 O LYS A 103 7.204 -5.682 5.831 1.00 0.00 O ATOM 1522 CB LYS A 103 7.210 -6.297 8.934 1.00 0.00 C ATOM 1523 CG LYS A 103 8.352 -6.219 9.934 1.00 0.00 C ATOM 1524 CD LYS A 103 7.936 -5.483 11.197 1.00 0.00 C ATOM 1525 CE LYS A 103 9.030 -5.524 12.251 1.00 0.00 C ATOM 1526 NZ LYS A 103 9.052 -6.822 12.981 1.00 0.00 N ATOM 0 H LYS A 103 5.287 -4.552 9.226 1.00 0.00 H new ATOM 0 HA LYS A 103 7.971 -4.513 8.001 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.288 -6.529 9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.397 -7.121 8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.682 -7.226 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.202 -5.711 9.479 1.00 0.00 H new ATOM 0 HD2 LYS A 103 7.701 -4.446 10.955 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.026 -5.931 11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.997 -5.358 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.880 -4.711 12.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.812 -6.808 13.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.138 -6.969 13.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.221 -7.596 12.307 1.00 0.00 H new ATOM 1540 N ARG A 104 5.136 -5.258 6.607 1.00 0.00 N ATOM 1541 CA ARG A 104 4.480 -5.557 5.338 1.00 0.00 C ATOM 1542 C ARG A 104 3.760 -4.330 4.787 1.00 0.00 C ATOM 1543 O ARG A 104 3.772 -4.083 3.582 1.00 0.00 O ATOM 1544 CB ARG A 104 3.484 -6.703 5.516 1.00 0.00 C ATOM 1545 CG ARG A 104 4.057 -7.901 6.255 1.00 0.00 C ATOM 1546 CD ARG A 104 2.958 -8.843 6.721 1.00 0.00 C ATOM 1547 NE ARG A 104 3.498 -10.056 7.329 1.00 0.00 N ATOM 1548 CZ ARG A 104 3.887 -11.125 6.636 1.00 0.00 C ATOM 1549 NH1 ARG A 104 3.804 -11.132 5.310 1.00 0.00 N ATOM 1550 NH2 ARG A 104 4.361 -12.188 7.269 1.00 0.00 N ATOM 0 H ARG A 104 4.500 -4.981 7.355 1.00 0.00 H new ATOM 0 HA ARG A 104 5.249 -5.853 4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.613 -6.335 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.135 -7.025 4.535 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.746 -8.438 5.602 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.633 -7.559 7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.321 -8.329 7.441 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.328 -9.112 5.873 1.00 0.00 H new ATOM 0 HE ARG A 104 3.582 -10.086 8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.441 -10.316 4.817 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.103 -11.953 4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.428 -12.188 8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 104 4.659 -13.007 6.739 1.00 0.00 H new ATOM 1564 N LEU A 105 3.127 -3.570 5.675 1.00 0.00 N ATOM 1565 CA LEU A 105 2.393 -2.377 5.273 1.00 0.00 C ATOM 1566 C LEU A 105 3.218 -1.116 5.508 1.00 0.00 C ATOM 1567 O LEU A 105 3.821 -0.943 6.567 1.00 0.00 O ATOM 1568 CB LEU A 105 1.066 -2.274 6.032 1.00 0.00 C ATOM 1569 CG LEU A 105 1.065 -2.885 7.435 1.00 0.00 C ATOM 1570 CD1 LEU A 105 -0.014 -2.244 8.294 1.00 0.00 C ATOM 1571 CD2 LEU A 105 0.862 -4.391 7.356 1.00 0.00 C ATOM 0 H LEU A 105 3.108 -3.760 6.677 1.00 0.00 H new ATOM 0 HA LEU A 105 2.187 -2.464 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.793 -1.222 6.112 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.290 -2.761 5.441 1.00 0.00 H new ATOM 0 HG LEU A 105 2.032 -2.691 7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.000 -2.690 9.288 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.173 -1.173 8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.989 -2.408 7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.864 -4.812 8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.092 -4.605 6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.669 -4.837 6.775 1.00 0.00 H new ATOM 1583 N ILE A 106 3.229 -0.233 4.515 1.00 0.00 N ATOM 1584 CA ILE A 106 3.969 1.019 4.616 1.00 0.00 C ATOM 1585 C ILE A 106 3.059 2.214 4.326 1.00 0.00 C ATOM 1586 O ILE A 106 2.461 2.297 3.253 1.00 0.00 O ATOM 1587 CB ILE A 106 5.168 1.056 3.646 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.760 0.530 2.264 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.336 0.259 4.216 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.863 -0.976 2.116 1.00 0.00 C ATOM 0 H ILE A 106 2.734 -0.361 3.632 1.00 0.00 H new ATOM 0 HA ILE A 106 4.343 1.081 5.638 1.00 0.00 H new ATOM 0 HB ILE A 106 5.490 2.091 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.733 0.834 2.061 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.388 1.002 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.174 0.294 3.520 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.638 0.689 5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.031 -0.777 4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.557 -1.265 1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.893 -1.289 2.285 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.213 -1.459 2.846 1.00 0.00 H new ATOM 1602 N PRO A 107 2.933 3.152 5.283 1.00 0.00 N ATOM 1603 CA PRO A 107 2.084 4.338 5.120 1.00 0.00 C ATOM 1604 C PRO A 107 2.666 5.343 4.131 1.00 0.00 C ATOM 1605 O PRO A 107 3.883 5.467 3.998 1.00 0.00 O ATOM 1606 CB PRO A 107 2.044 4.938 6.526 1.00 0.00 C ATOM 1607 CG PRO A 107 3.321 4.498 7.154 1.00 0.00 C ATOM 1608 CD PRO A 107 3.595 3.127 6.601 1.00 0.00 C ATOM 0 HA PRO A 107 1.103 4.083 4.719 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.972 6.025 6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.181 4.579 7.087 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.132 5.186 6.915 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.235 4.472 8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.664 2.937 6.510 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.186 2.346 7.242 1.00 0.00 H new ATOM 1616 N ILE A 108 1.783 6.060 3.439 1.00 0.00 N ATOM 1617 CA ILE A 108 2.200 7.057 2.460 1.00 0.00 C ATOM 1618 C ILE A 108 1.174 8.189 2.368 1.00 0.00 C ATOM 1619 O ILE A 108 0.020 8.027 2.762 1.00 0.00 O ATOM 1620 CB ILE A 108 2.399 6.415 1.067 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.624 5.498 1.079 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.545 7.477 -0.018 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.292 4.053 1.372 1.00 0.00 C ATOM 0 H ILE A 108 0.772 5.967 3.540 1.00 0.00 H new ATOM 0 HA ILE A 108 3.152 7.470 2.793 1.00 0.00 H new ATOM 0 HB ILE A 108 1.512 5.823 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.123 5.559 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.331 5.859 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.683 6.993 -0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.647 8.094 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.409 8.104 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.207 3.461 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.820 3.980 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.609 3.675 0.611 1.00 0.00 H new ATOM 1635 N LYS A 109 1.606 9.331 1.841 1.00 0.00 N ATOM 1636 CA LYS A 109 0.730 10.486 1.689 1.00 0.00 C ATOM 1637 C LYS A 109 1.431 11.596 0.912 1.00 0.00 C ATOM 1638 O LYS A 109 2.653 11.722 0.959 1.00 0.00 O ATOM 1639 CB LYS A 109 0.283 11.004 3.057 1.00 0.00 C ATOM 1640 CG LYS A 109 1.418 11.550 3.907 1.00 0.00 C ATOM 1641 CD LYS A 109 1.899 10.523 4.918 1.00 0.00 C ATOM 1642 CE LYS A 109 2.704 11.171 6.031 1.00 0.00 C ATOM 1643 NZ LYS A 109 2.016 12.367 6.591 1.00 0.00 N ATOM 0 H LYS A 109 2.560 9.480 1.512 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.150 10.172 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.460 11.788 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.208 10.195 3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.247 11.845 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.085 12.447 4.428 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.042 10.001 5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.510 9.774 4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.874 10.445 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 109 3.683 11.461 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.286 12.487 7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.295 13.212 6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.986 12.238 6.524 1.00 0.00 H new ATOM 1657 N TYR A 110 0.649 12.395 0.195 1.00 0.00 N ATOM 1658 CA TYR A 110 1.200 13.493 -0.595 1.00 0.00 C ATOM 1659 C TYR A 110 1.351 14.764 0.242 1.00 0.00 C ATOM 1660 O TYR A 110 1.683 15.827 -0.284 1.00 0.00 O ATOM 1661 CB TYR A 110 0.314 13.769 -1.813 1.00 0.00 C ATOM 1662 CG TYR A 110 -1.058 14.304 -1.465 1.00 0.00 C ATOM 1663 CD1 TYR A 110 -2.078 13.449 -1.066 1.00 0.00 C ATOM 1664 CD2 TYR A 110 -1.333 15.664 -1.539 1.00 0.00 C ATOM 1665 CE1 TYR A 110 -3.333 13.934 -0.750 1.00 0.00 C ATOM 1666 CE2 TYR A 110 -2.586 16.156 -1.223 1.00 0.00 C ATOM 1667 CZ TYR A 110 -3.581 15.287 -0.829 1.00 0.00 C ATOM 1668 OH TYR A 110 -4.829 15.774 -0.514 1.00 0.00 O ATOM 0 H TYR A 110 -0.366 12.305 0.144 1.00 0.00 H new ATOM 0 HA TYR A 110 2.192 13.193 -0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.818 14.485 -2.462 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.200 12.847 -2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.887 12.388 -1.002 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.556 16.347 -1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -4.115 13.256 -0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.784 17.216 -1.285 1.00 0.00 H new ATOM 0 HH TYR A 110 -4.837 16.748 -0.621 1.00 0.00 H new ATOM 1678 N LYS A 111 1.105 14.653 1.547 1.00 0.00 N ATOM 1679 CA LYS A 111 1.218 15.794 2.450 1.00 0.00 C ATOM 1680 C LYS A 111 0.768 15.416 3.858 1.00 0.00 C ATOM 1681 O LYS A 111 0.117 14.391 4.057 1.00 0.00 O ATOM 1682 CB LYS A 111 0.388 16.975 1.938 1.00 0.00 C ATOM 1683 CG LYS A 111 -0.978 16.575 1.403 1.00 0.00 C ATOM 1684 CD LYS A 111 -1.998 16.444 2.523 1.00 0.00 C ATOM 1685 CE LYS A 111 -2.463 15.008 2.688 1.00 0.00 C ATOM 1686 NZ LYS A 111 -2.923 14.733 4.075 1.00 0.00 N ATOM 0 H LYS A 111 0.826 13.783 2.001 1.00 0.00 H new ATOM 0 HA LYS A 111 2.266 16.090 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.256 17.693 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.943 17.483 1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -1.320 17.318 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.898 15.628 0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.561 16.795 3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.855 17.083 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.275 14.806 1.989 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -1.648 14.330 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -2.689 13.752 4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.450 15.385 4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.952 14.870 4.133 1.00 0.00 H new ATOM 1700 N ALA A 112 1.126 16.245 4.831 1.00 0.00 N ATOM 1701 CA ALA A 112 0.766 15.994 6.222 1.00 0.00 C ATOM 1702 C ALA A 112 -0.738 16.122 6.444 1.00 0.00 C ATOM 1703 O ALA A 112 -1.410 16.916 5.786 1.00 0.00 O ATOM 1704 CB ALA A 112 1.519 16.947 7.138 1.00 0.00 C ATOM 0 H ALA A 112 1.666 17.098 4.683 1.00 0.00 H new ATOM 0 HA ALA A 112 1.049 14.969 6.461 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.242 16.751 8.174 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.592 16.799 7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.263 17.975 6.883 1.00 0.00 H new ATOM 1710 N MET A 113 -1.255 15.334 7.381 1.00 0.00 N ATOM 1711 CA MET A 113 -2.676 15.346 7.708 1.00 0.00 C ATOM 1712 C MET A 113 -2.991 16.451 8.709 1.00 0.00 C ATOM 1713 O MET A 113 -2.408 16.511 9.791 1.00 0.00 O ATOM 1714 CB MET A 113 -3.086 13.988 8.281 1.00 0.00 C ATOM 1715 CG MET A 113 -2.943 12.845 7.288 1.00 0.00 C ATOM 1716 SD MET A 113 -1.742 11.608 7.819 1.00 0.00 S ATOM 1717 CE MET A 113 -2.248 11.362 9.520 1.00 0.00 C ATOM 0 H MET A 113 -0.706 14.674 7.931 1.00 0.00 H new ATOM 0 HA MET A 113 -3.241 15.539 6.796 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.478 13.774 9.160 1.00 0.00 H new ATOM 0 HB3 MET A 113 -4.122 14.041 8.616 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.913 12.367 7.148 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.642 13.246 6.320 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.581 11.914 10.182 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.269 11.721 9.652 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.203 10.300 9.763 1.00 0.00 H new ATOM 1727 N LYS A 114 -3.920 17.324 8.335 1.00 0.00 N ATOM 1728 CA LYS A 114 -4.323 18.430 9.194 1.00 0.00 C ATOM 1729 C LYS A 114 -4.965 17.925 10.485 1.00 0.00 C ATOM 1730 O LYS A 114 -5.131 18.687 11.437 1.00 0.00 O ATOM 1731 CB LYS A 114 -5.294 19.350 8.449 1.00 0.00 C ATOM 1732 CG LYS A 114 -4.706 20.709 8.110 1.00 0.00 C ATOM 1733 CD LYS A 114 -5.345 21.297 6.863 1.00 0.00 C ATOM 1734 CE LYS A 114 -4.659 20.804 5.601 1.00 0.00 C ATOM 1735 NZ LYS A 114 -5.057 21.597 4.406 1.00 0.00 N ATOM 0 H LYS A 114 -4.409 17.286 7.440 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.428 18.992 9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -5.611 18.861 7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.187 19.492 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.851 21.389 8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.631 20.614 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.401 21.029 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.294 22.385 6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.578 20.860 5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.907 19.755 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.567 21.229 3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -6.085 21.523 4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.797 22.594 4.549 1.00 0.00 H new ATOM 1749 N LYS A 115 -5.325 16.643 10.519 1.00 0.00 N ATOM 1750 CA LYS A 115 -5.944 16.068 11.712 1.00 0.00 C ATOM 1751 C LYS A 115 -4.984 15.109 12.418 1.00 0.00 C ATOM 1752 O LYS A 115 -3.772 15.182 12.217 1.00 0.00 O ATOM 1753 CB LYS A 115 -7.279 15.392 11.373 1.00 0.00 C ATOM 1754 CG LYS A 115 -7.323 14.754 10.004 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.571 13.443 9.995 1.00 0.00 C ATOM 1756 CE LYS A 115 -7.243 12.418 10.895 1.00 0.00 C ATOM 1757 NZ LYS A 115 -8.693 12.274 10.588 1.00 0.00 N ATOM 0 H LYS A 115 -5.201 15.990 9.745 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.162 16.880 12.405 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.487 14.629 12.123 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -8.076 16.133 11.442 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.359 14.585 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.889 15.432 9.269 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.518 13.058 8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.546 13.606 10.327 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.750 11.453 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.120 12.714 11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.014 11.325 10.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.232 12.991 11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.847 12.405 9.568 1.00 0.00 H new ATOM 1771 N GLU A 116 -5.516 14.235 13.268 1.00 0.00 N ATOM 1772 CA GLU A 116 -4.693 13.302 14.019 1.00 0.00 C ATOM 1773 C GLU A 116 -4.288 12.095 13.185 1.00 0.00 C ATOM 1774 O GLU A 116 -4.974 11.722 12.234 1.00 0.00 O ATOM 1775 CB GLU A 116 -5.443 12.837 15.268 1.00 0.00 C ATOM 1776 CG GLU A 116 -6.290 13.921 15.917 1.00 0.00 C ATOM 1777 CD GLU A 116 -6.738 13.550 17.316 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -5.876 13.169 18.136 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -7.954 13.637 17.593 1.00 0.00 O ATOM 0 H GLU A 116 -6.516 14.156 13.452 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.781 13.827 14.305 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -6.086 11.998 15.003 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.721 12.468 15.997 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.719 14.849 15.956 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -7.166 14.112 15.297 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.175 11.479 13.567 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.674 10.298 12.878 1.00 0.00 C ATOM 1788 C PHE A 117 -3.081 9.043 13.639 1.00 0.00 C ATOM 1789 O PHE A 117 -3.151 9.047 14.869 1.00 0.00 O ATOM 1790 CB PHE A 117 -1.146 10.347 12.727 1.00 0.00 C ATOM 1791 CG PHE A 117 -0.496 11.549 13.357 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -0.224 11.573 14.716 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -0.158 12.652 12.591 1.00 0.00 C ATOM 1794 CE1 PHE A 117 0.373 12.675 15.298 1.00 0.00 C ATOM 1795 CE2 PHE A 117 0.439 13.758 13.166 1.00 0.00 C ATOM 1796 CZ PHE A 117 0.704 13.769 14.522 1.00 0.00 C ATOM 0 H PHE A 117 -2.601 11.781 14.354 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.112 10.276 11.880 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.721 9.446 13.169 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.897 10.329 11.666 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.482 10.721 15.327 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.364 12.648 11.531 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.581 12.681 16.358 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.698 14.612 12.557 1.00 0.00 H new ATOM 0 HZ PHE A 117 1.169 14.632 14.975 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.360 7.950 12.919 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.766 6.691 13.530 1.00 0.00 C ATOM 1808 C PRO A 118 -2.586 5.890 14.044 1.00 0.00 C ATOM 1809 O PRO A 118 -1.500 5.947 13.471 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.458 5.965 12.385 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.763 6.446 11.159 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.307 7.855 11.448 1.00 0.00 C ATOM 0 HA PRO A 118 -4.399 6.839 14.405 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.371 4.884 12.491 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.522 6.198 12.354 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.914 5.806 10.918 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.433 6.424 10.300 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.300 8.034 11.072 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.959 8.591 10.976 1.00 0.00 H new ATOM 1820 N SER A 119 -2.810 5.124 15.113 1.00 0.00 N ATOM 1821 CA SER A 119 -1.758 4.281 15.677 1.00 0.00 C ATOM 1822 C SER A 119 -1.376 3.263 14.619 1.00 0.00 C ATOM 1823 O SER A 119 -1.743 2.090 14.691 1.00 0.00 O ATOM 1824 CB SER A 119 -2.238 3.579 16.949 1.00 0.00 C ATOM 1825 OG SER A 119 -3.474 2.918 16.733 1.00 0.00 O ATOM 0 H SER A 119 -3.704 5.071 15.602 1.00 0.00 H new ATOM 0 HA SER A 119 -0.897 4.890 15.954 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.489 2.858 17.275 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.348 4.309 17.751 1.00 0.00 H new ATOM 0 HG SER A 119 -3.388 2.303 15.975 1.00 0.00 H new ATOM 1831 N ILE A 120 -0.700 3.759 13.597 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.329 2.957 12.456 1.00 0.00 C ATOM 1833 C ILE A 120 0.939 3.506 11.804 1.00 0.00 C ATOM 1834 O ILE A 120 1.861 2.757 11.478 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.509 2.982 11.461 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -2.651 2.119 11.987 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.105 2.538 10.073 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -3.813 2.022 11.031 1.00 0.00 C ATOM 0 H ILE A 120 -0.395 4.731 13.540 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.118 1.933 12.765 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.843 4.016 11.376 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.275 1.117 12.194 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.002 2.530 12.934 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.972 2.574 9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.329 3.201 9.690 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.723 1.518 10.114 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.591 1.394 11.466 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.214 3.018 10.843 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -3.476 1.584 10.092 1.00 0.00 H new ATOM 1850 N LEU A 121 0.976 4.824 11.630 1.00 0.00 N ATOM 1851 CA LEU A 121 2.126 5.490 11.031 1.00 0.00 C ATOM 1852 C LEU A 121 2.731 6.495 12.009 1.00 0.00 C ATOM 1853 O LEU A 121 3.256 7.532 11.602 1.00 0.00 O ATOM 1854 CB LEU A 121 1.732 6.197 9.728 1.00 0.00 C ATOM 1855 CG LEU A 121 0.398 6.953 9.753 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.768 5.982 9.705 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.301 7.849 10.980 1.00 0.00 C ATOM 0 H LEU A 121 0.219 5.453 11.897 1.00 0.00 H new ATOM 0 HA LEU A 121 2.872 4.730 10.799 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.522 6.901 9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.691 5.454 8.932 1.00 0.00 H new ATOM 0 HG LEU A 121 0.354 7.588 8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.705 6.538 9.724 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.714 5.393 8.789 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.723 5.317 10.567 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.655 8.373 10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.374 7.241 11.881 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.114 8.575 10.965 1.00 0.00 H new ATOM 1869 N ARG A 122 2.644 6.179 13.298 1.00 0.00 N ATOM 1870 CA ARG A 122 3.170 7.050 14.349 1.00 0.00 C ATOM 1871 C ARG A 122 4.553 7.594 13.996 1.00 0.00 C ATOM 1872 O ARG A 122 4.826 8.780 14.183 1.00 0.00 O ATOM 1873 CB ARG A 122 3.231 6.297 15.680 1.00 0.00 C ATOM 1874 CG ARG A 122 3.816 4.898 15.566 1.00 0.00 C ATOM 1875 CD ARG A 122 3.610 4.103 16.844 1.00 0.00 C ATOM 1876 NE ARG A 122 4.432 2.896 16.877 1.00 0.00 N ATOM 1877 CZ ARG A 122 4.692 2.205 17.984 1.00 0.00 C ATOM 1878 NH1 ARG A 122 4.198 2.598 19.151 1.00 0.00 N ATOM 1879 NH2 ARG A 122 5.447 1.117 17.924 1.00 0.00 N ATOM 0 H ARG A 122 2.212 5.322 13.643 1.00 0.00 H new ATOM 0 HA ARG A 122 2.491 7.898 14.442 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.828 6.874 16.386 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.225 6.228 16.094 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.350 4.374 14.731 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.881 4.965 15.345 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.851 4.729 17.703 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.559 3.828 16.935 1.00 0.00 H new ATOM 0 HE ARG A 122 4.830 2.563 15.999 1.00 0.00 H new ATOM 0 HH11 ARG A 122 3.616 3.434 19.203 1.00 0.00 H new ATOM 0 HH12 ARG A 122 4.401 2.064 19.996 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.829 0.810 17.029 1.00 0.00 H new ATOM 0 HH22 ARG A 122 5.646 0.587 18.772 1.00 0.00 H new ATOM 1893 N PHE A 123 5.418 6.729 13.485 1.00 0.00 N ATOM 1894 CA PHE A 123 6.768 7.137 13.111 1.00 0.00 C ATOM 1895 C PHE A 123 7.470 6.049 12.306 1.00 0.00 C ATOM 1896 O PHE A 123 8.695 5.929 12.343 1.00 0.00 O ATOM 1897 CB PHE A 123 7.585 7.472 14.361 1.00 0.00 C ATOM 1898 CG PHE A 123 7.990 8.917 14.442 1.00 0.00 C ATOM 1899 CD1 PHE A 123 8.978 9.420 13.612 1.00 0.00 C ATOM 1900 CD2 PHE A 123 7.381 9.771 15.348 1.00 0.00 C ATOM 1901 CE1 PHE A 123 9.353 10.748 13.684 1.00 0.00 C ATOM 1902 CE2 PHE A 123 7.751 11.100 15.425 1.00 0.00 C ATOM 1903 CZ PHE A 123 8.739 11.590 14.591 1.00 0.00 C ATOM 0 H PHE A 123 5.212 5.744 13.320 1.00 0.00 H new ATOM 0 HA PHE A 123 6.689 8.026 12.485 1.00 0.00 H new ATOM 0 HB2 PHE A 123 7.002 7.216 15.246 1.00 0.00 H new ATOM 0 HB3 PHE A 123 8.480 6.850 14.378 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.461 8.767 12.900 1.00 0.00 H new ATOM 0 HD2 PHE A 123 6.608 9.393 16.001 1.00 0.00 H new ATOM 0 HE1 PHE A 123 10.126 11.127 13.032 1.00 0.00 H new ATOM 0 HE2 PHE A 123 7.269 11.755 16.136 1.00 0.00 H new ATOM 0 HZ PHE A 123 9.030 12.628 14.648 1.00 0.00 H new ATOM 1913 N ILE A 124 6.690 5.258 11.578 1.00 0.00 N ATOM 1914 CA ILE A 124 7.232 4.187 10.769 1.00 0.00 C ATOM 1915 C ILE A 124 7.631 4.693 9.385 1.00 0.00 C ATOM 1916 O ILE A 124 7.603 5.896 9.124 1.00 0.00 O ATOM 1917 CB ILE A 124 6.206 3.046 10.635 1.00 0.00 C ATOM 1918 CG1 ILE A 124 5.056 3.455 9.707 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.673 2.648 12.007 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.978 2.399 9.576 1.00 0.00 C ATOM 0 H ILE A 124 5.675 5.344 11.536 1.00 0.00 H new ATOM 0 HA ILE A 124 8.125 3.808 11.267 1.00 0.00 H new ATOM 0 HB ILE A 124 6.707 2.184 10.194 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.608 4.375 10.081 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.459 3.676 8.719 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.949 1.841 11.896 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.498 2.311 12.634 1.00 0.00 H new ATOM 0 HG23 ILE A 124 5.190 3.507 12.473 1.00 0.00 H new ATOM 0 HD11 ILE A 124 3.197 2.757 8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.412 1.484 9.172 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.548 2.195 10.556 1.00 0.00 H new ATOM 1932 N THR A 125 8.001 3.773 8.500 1.00 0.00 N ATOM 1933 CA THR A 125 8.403 4.138 7.145 1.00 0.00 C ATOM 1934 C THR A 125 7.268 4.858 6.422 1.00 0.00 C ATOM 1935 O THR A 125 6.346 4.224 5.910 1.00 0.00 O ATOM 1936 CB THR A 125 8.816 2.891 6.361 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.941 2.272 6.959 1.00 0.00 O ATOM 1938 CG2 THR A 125 9.164 3.177 4.916 1.00 0.00 C ATOM 0 H THR A 125 8.031 2.772 8.695 1.00 0.00 H new ATOM 0 HA THR A 125 9.256 4.814 7.211 1.00 0.00 H new ATOM 0 HB THR A 125 7.945 2.236 6.384 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.188 1.476 6.444 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.448 2.249 4.420 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.299 3.608 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.996 3.880 4.874 1.00 0.00 H new ATOM 1946 N VAL A 126 7.340 6.184 6.386 1.00 0.00 N ATOM 1947 CA VAL A 126 6.317 6.985 5.733 1.00 0.00 C ATOM 1948 C VAL A 126 6.870 7.705 4.505 1.00 0.00 C ATOM 1949 O VAL A 126 8.003 8.186 4.512 1.00 0.00 O ATOM 1950 CB VAL A 126 5.723 8.022 6.705 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.764 9.061 7.094 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.495 8.686 6.096 1.00 0.00 C ATOM 0 H VAL A 126 8.098 6.725 6.802 1.00 0.00 H new ATOM 0 HA VAL A 126 5.532 6.299 5.414 1.00 0.00 H new ATOM 0 HB VAL A 126 5.415 7.501 7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.320 9.782 7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.606 8.568 7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 126 7.113 9.579 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.090 9.415 6.798 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.775 9.190 5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.740 7.929 5.883 1.00 0.00 H new ATOM 1962 N CYS A 127 6.059 7.775 3.454 1.00 0.00 N ATOM 1963 CA CYS A 127 6.463 8.438 2.220 1.00 0.00 C ATOM 1964 C CYS A 127 5.684 9.735 2.018 1.00 0.00 C ATOM 1965 O CYS A 127 4.609 9.737 1.421 1.00 0.00 O ATOM 1966 CB CYS A 127 6.246 7.509 1.024 1.00 0.00 C ATOM 1967 SG CYS A 127 7.478 7.693 -0.287 1.00 0.00 S ATOM 0 H CYS A 127 5.119 7.381 3.433 1.00 0.00 H new ATOM 0 HA CYS A 127 7.523 8.680 2.297 1.00 0.00 H new ATOM 0 HB2 CYS A 127 6.254 6.477 1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 127 5.257 7.696 0.607 1.00 0.00 H new ATOM 0 HG CYS A 127 8.651 7.369 0.171 1.00 0.00 H new ATOM 1973 N ASP A 128 6.237 10.835 2.519 1.00 0.00 N ATOM 1974 CA ASP A 128 5.596 12.140 2.394 1.00 0.00 C ATOM 1975 C ASP A 128 6.435 13.072 1.530 1.00 0.00 C ATOM 1976 O ASP A 128 7.666 13.040 1.580 1.00 0.00 O ATOM 1977 CB ASP A 128 5.373 12.766 3.774 1.00 0.00 C ATOM 1978 CG ASP A 128 6.355 12.267 4.820 1.00 0.00 C ATOM 1979 OD1 ASP A 128 7.547 12.110 4.485 1.00 0.00 O ATOM 1980 OD2 ASP A 128 5.929 12.035 5.970 1.00 0.00 O ATOM 0 H ASP A 128 7.128 10.849 3.016 1.00 0.00 H new ATOM 0 HA ASP A 128 4.628 11.995 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 128 5.457 13.850 3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 128 4.357 12.549 4.105 1.00 0.00 H new ATOM 1985 N TYR A 129 5.766 13.904 0.739 1.00 0.00 N ATOM 1986 CA TYR A 129 6.461 14.844 -0.132 1.00 0.00 C ATOM 1987 C TYR A 129 6.963 16.045 0.658 1.00 0.00 C ATOM 1988 O TYR A 129 6.326 17.096 0.686 1.00 0.00 O ATOM 1989 CB TYR A 129 5.548 15.310 -1.265 1.00 0.00 C ATOM 1990 CG TYR A 129 5.152 14.205 -2.220 1.00 0.00 C ATOM 1991 CD1 TYR A 129 6.090 13.282 -2.668 1.00 0.00 C ATOM 1992 CD2 TYR A 129 3.845 14.085 -2.672 1.00 0.00 C ATOM 1993 CE1 TYR A 129 5.735 12.271 -3.542 1.00 0.00 C ATOM 1994 CE2 TYR A 129 3.482 13.077 -3.545 1.00 0.00 C ATOM 1995 CZ TYR A 129 4.430 12.173 -3.977 1.00 0.00 C ATOM 1996 OH TYR A 129 4.073 11.169 -4.847 1.00 0.00 O ATOM 0 H TYR A 129 4.748 13.947 0.683 1.00 0.00 H new ATOM 0 HA TYR A 129 7.318 14.327 -0.563 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.647 15.748 -0.837 1.00 0.00 H new ATOM 0 HB3 TYR A 129 6.051 16.099 -1.824 1.00 0.00 H new ATOM 0 HD1 TYR A 129 7.112 13.356 -2.328 1.00 0.00 H new ATOM 0 HD2 TYR A 129 3.100 14.791 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 129 6.475 11.562 -3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 129 2.461 12.997 -3.887 1.00 0.00 H new ATOM 0 HH TYR A 129 3.118 11.240 -5.054 1.00 0.00 H new ATOM 2006 N THR A 130 8.121 15.882 1.286 1.00 0.00 N ATOM 2007 CA THR A 130 8.728 16.955 2.064 1.00 0.00 C ATOM 2008 C THR A 130 9.692 17.739 1.188 1.00 0.00 C ATOM 2009 O THR A 130 9.799 18.961 1.286 1.00 0.00 O ATOM 2010 CB THR A 130 9.462 16.387 3.280 1.00 0.00 C ATOM 2011 OG1 THR A 130 10.670 15.759 2.887 1.00 0.00 O ATOM 2012 CG2 THR A 130 8.647 15.371 4.051 1.00 0.00 C ATOM 0 H THR A 130 8.659 15.016 1.272 1.00 0.00 H new ATOM 0 HA THR A 130 7.942 17.622 2.419 1.00 0.00 H new ATOM 0 HB THR A 130 9.653 17.242 3.928 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.126 15.403 3.678 1.00 0.00 H new ATOM 0 HG21 THR A 130 9.226 15.009 4.900 1.00 0.00 H new ATOM 0 HG22 THR A 130 7.730 15.837 4.410 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.397 14.534 3.399 1.00 0.00 H new ATOM 2020 N ASN A 131 10.377 17.012 0.314 1.00 0.00 N ATOM 2021 CA ASN A 131 11.325 17.602 -0.616 1.00 0.00 C ATOM 2022 C ASN A 131 11.242 16.875 -1.955 1.00 0.00 C ATOM 2023 O ASN A 131 12.248 16.391 -2.476 1.00 0.00 O ATOM 2024 CB ASN A 131 12.748 17.522 -0.056 1.00 0.00 C ATOM 2025 CG ASN A 131 13.698 18.477 -0.751 1.00 0.00 C ATOM 2026 OD1 ASN A 131 13.405 18.981 -1.836 1.00 0.00 O ATOM 2027 ND2 ASN A 131 14.844 18.729 -0.131 1.00 0.00 N ATOM 0 H ASN A 131 10.290 15.999 0.232 1.00 0.00 H new ATOM 0 HA ASN A 131 11.075 18.653 -0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.729 17.745 1.011 1.00 0.00 H new ATOM 0 HB3 ASN A 131 13.120 16.503 -0.162 1.00 0.00 H new ATOM 0 HD21 ASN A 131 15.523 19.362 -0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 131 15.045 18.289 0.767 1.00 0.00 H new ATOM 2034 N PRO A 132 10.025 16.778 -2.522 1.00 0.00 N ATOM 2035 CA PRO A 132 9.793 16.096 -3.797 1.00 0.00 C ATOM 2036 C PRO A 132 10.768 16.539 -4.879 1.00 0.00 C ATOM 2037 O PRO A 132 11.065 15.790 -5.809 1.00 0.00 O ATOM 2038 CB PRO A 132 8.353 16.487 -4.174 1.00 0.00 C ATOM 2039 CG PRO A 132 7.956 17.552 -3.203 1.00 0.00 C ATOM 2040 CD PRO A 132 8.778 17.316 -1.970 1.00 0.00 C ATOM 0 HA PRO A 132 9.939 15.020 -3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.302 16.853 -5.199 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.684 15.629 -4.109 1.00 0.00 H new ATOM 0 HG2 PRO A 132 8.145 18.544 -3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 132 6.891 17.497 -2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 132 8.945 18.237 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 132 8.298 16.612 -1.290 1.00 0.00 H new ATOM 2048 N CYS A 133 11.265 17.763 -4.746 1.00 0.00 N ATOM 2049 CA CYS A 133 12.213 18.315 -5.708 1.00 0.00 C ATOM 2050 C CYS A 133 13.369 17.349 -5.952 1.00 0.00 C ATOM 2051 O CYS A 133 13.829 17.187 -7.082 1.00 0.00 O ATOM 2052 CB CYS A 133 12.753 19.658 -5.212 1.00 0.00 C ATOM 2053 SG CYS A 133 13.168 20.820 -6.533 1.00 0.00 S ATOM 0 H CYS A 133 11.027 18.394 -3.980 1.00 0.00 H new ATOM 0 HA CYS A 133 11.686 18.468 -6.650 1.00 0.00 H new ATOM 0 HB2 CYS A 133 12.011 20.117 -4.559 1.00 0.00 H new ATOM 0 HB3 CYS A 133 13.642 19.479 -4.608 1.00 0.00 H new ATOM 0 HG CYS A 133 13.613 21.926 -6.014 1.00 0.00 H new ATOM 2059 N THR A 134 13.825 16.707 -4.883 1.00 0.00 N ATOM 2060 CA THR A 134 14.923 15.750 -4.974 1.00 0.00 C ATOM 2061 C THR A 134 14.468 14.353 -4.559 1.00 0.00 C ATOM 2062 O THR A 134 14.995 13.350 -5.039 1.00 0.00 O ATOM 2063 CB THR A 134 16.094 16.200 -4.099 1.00 0.00 C ATOM 2064 OG1 THR A 134 15.788 16.033 -2.726 1.00 0.00 O ATOM 2065 CG2 THR A 134 16.478 17.648 -4.310 1.00 0.00 C ATOM 0 H THR A 134 13.452 16.831 -3.942 1.00 0.00 H new ATOM 0 HA THR A 134 15.250 15.710 -6.013 1.00 0.00 H new ATOM 0 HB THR A 134 16.933 15.571 -4.396 1.00 0.00 H new ATOM 0 HG1 THR A 134 16.550 16.325 -2.183 1.00 0.00 H new ATOM 0 HG21 THR A 134 17.315 17.901 -3.659 1.00 0.00 H new ATOM 0 HG22 THR A 134 16.769 17.800 -5.350 1.00 0.00 H new ATOM 0 HG23 THR A 134 15.628 18.288 -4.074 1.00 0.00 H new ATOM 2073 N LYS A 135 13.484 14.298 -3.667 1.00 0.00 N ATOM 2074 CA LYS A 135 12.954 13.025 -3.191 1.00 0.00 C ATOM 2075 C LYS A 135 12.072 12.361 -4.251 1.00 0.00 C ATOM 2076 O LYS A 135 11.607 11.238 -4.061 1.00 0.00 O ATOM 2077 CB LYS A 135 12.155 13.234 -1.901 1.00 0.00 C ATOM 2078 CG LYS A 135 12.855 12.701 -0.662 1.00 0.00 C ATOM 2079 CD LYS A 135 13.084 13.797 0.367 1.00 0.00 C ATOM 2080 CE LYS A 135 14.516 14.304 0.331 1.00 0.00 C ATOM 2081 NZ LYS A 135 14.927 14.909 1.627 1.00 0.00 N ATOM 0 H LYS A 135 13.038 15.120 -3.259 1.00 0.00 H new ATOM 0 HA LYS A 135 13.797 12.365 -2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.963 14.299 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.186 12.745 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 135 12.256 11.905 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 135 13.811 12.261 -0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.399 14.624 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 135 12.857 13.416 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 135 15.186 13.480 0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 135 14.619 15.044 -0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 15.910 15.242 1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 14.304 15.712 1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 14.854 14.197 2.381 1.00 0.00 H new ATOM 2095 N SER A 136 11.842 13.059 -5.363 1.00 0.00 N ATOM 2096 CA SER A 136 11.012 12.532 -6.445 1.00 0.00 C ATOM 2097 C SER A 136 11.390 11.094 -6.798 1.00 0.00 C ATOM 2098 O SER A 136 10.560 10.330 -7.291 1.00 0.00 O ATOM 2099 CB SER A 136 11.139 13.420 -7.685 1.00 0.00 C ATOM 2100 OG SER A 136 10.567 12.795 -8.822 1.00 0.00 O ATOM 0 H SER A 136 12.219 13.991 -5.538 1.00 0.00 H new ATOM 0 HA SER A 136 9.979 12.532 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 136 10.645 14.375 -7.504 1.00 0.00 H new ATOM 0 HB3 SER A 136 12.190 13.636 -7.875 1.00 0.00 H new ATOM 0 HG SER A 136 10.660 13.383 -9.600 1.00 0.00 H new ATOM 2106 N TRP A 137 12.645 10.731 -6.547 1.00 0.00 N ATOM 2107 CA TRP A 137 13.125 9.385 -6.843 1.00 0.00 C ATOM 2108 C TRP A 137 12.465 8.338 -5.946 1.00 0.00 C ATOM 2109 O TRP A 137 12.595 7.138 -6.186 1.00 0.00 O ATOM 2110 CB TRP A 137 14.644 9.318 -6.685 1.00 0.00 C ATOM 2111 CG TRP A 137 15.370 10.385 -7.447 1.00 0.00 C ATOM 2112 CD1 TRP A 137 16.064 11.437 -6.926 1.00 0.00 C ATOM 2113 CD2 TRP A 137 15.470 10.502 -8.872 1.00 0.00 C ATOM 2114 NE1 TRP A 137 16.592 12.202 -7.939 1.00 0.00 N ATOM 2115 CE2 TRP A 137 16.240 11.649 -9.143 1.00 0.00 C ATOM 2116 CE3 TRP A 137 14.985 9.749 -9.944 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 16.535 12.059 -10.440 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 15.278 10.157 -11.231 1.00 0.00 C ATOM 2119 CH2 TRP A 137 16.047 11.302 -11.470 1.00 0.00 C ATOM 0 H TRP A 137 13.347 11.349 -6.140 1.00 0.00 H new ATOM 0 HA TRP A 137 12.856 9.161 -7.875 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.896 9.402 -5.628 1.00 0.00 H new ATOM 0 HB3 TRP A 137 14.994 8.341 -7.019 1.00 0.00 H new ATOM 0 HD1 TRP A 137 16.182 11.640 -5.872 1.00 0.00 H new ATOM 0 HE1 TRP A 137 17.154 13.044 -7.815 1.00 0.00 H new ATOM 0 HE3 TRP A 137 14.392 8.864 -9.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 17.128 12.942 -10.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 14.907 9.583 -12.067 1.00 0.00 H new ATOM 0 HH2 TRP A 137 16.259 11.594 -12.488 1.00 0.00 H new ATOM 2130 N PHE A 138 11.758 8.790 -4.909 1.00 0.00 N ATOM 2131 CA PHE A 138 11.088 7.879 -3.983 1.00 0.00 C ATOM 2132 C PHE A 138 10.288 6.816 -4.735 1.00 0.00 C ATOM 2133 O PHE A 138 10.099 5.705 -4.242 1.00 0.00 O ATOM 2134 CB PHE A 138 10.164 8.656 -3.041 1.00 0.00 C ATOM 2135 CG PHE A 138 10.434 8.391 -1.587 1.00 0.00 C ATOM 2136 CD1 PHE A 138 10.503 7.092 -1.109 1.00 0.00 C ATOM 2137 CD2 PHE A 138 10.622 9.439 -0.700 1.00 0.00 C ATOM 2138 CE1 PHE A 138 10.754 6.844 0.228 1.00 0.00 C ATOM 2139 CE2 PHE A 138 10.873 9.197 0.638 1.00 0.00 C ATOM 2140 CZ PHE A 138 10.938 7.898 1.101 1.00 0.00 C ATOM 0 H PHE A 138 11.635 9.779 -4.691 1.00 0.00 H new ATOM 0 HA PHE A 138 11.857 7.378 -3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 138 10.274 9.723 -3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 138 9.129 8.397 -3.264 1.00 0.00 H new ATOM 0 HD1 PHE A 138 10.359 6.265 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 138 10.572 10.457 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 138 10.806 5.827 0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 138 11.018 10.022 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 138 11.133 7.706 2.146 1.00 0.00 H new ATOM 2150 N TRP A 139 9.826 7.163 -5.934 1.00 0.00 N ATOM 2151 CA TRP A 139 9.054 6.236 -6.753 1.00 0.00 C ATOM 2152 C TRP A 139 9.799 4.915 -6.926 1.00 0.00 C ATOM 2153 O TRP A 139 9.187 3.852 -7.035 1.00 0.00 O ATOM 2154 CB TRP A 139 8.764 6.852 -8.124 1.00 0.00 C ATOM 2155 CG TRP A 139 7.549 7.728 -8.139 1.00 0.00 C ATOM 2156 CD1 TRP A 139 6.368 7.504 -7.493 1.00 0.00 C ATOM 2157 CD2 TRP A 139 7.395 8.968 -8.838 1.00 0.00 C ATOM 2158 NE1 TRP A 139 5.489 8.530 -7.747 1.00 0.00 N ATOM 2159 CE2 TRP A 139 6.097 9.440 -8.571 1.00 0.00 C ATOM 2160 CE3 TRP A 139 8.232 9.726 -9.665 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 5.614 10.635 -9.099 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 7.750 10.911 -10.190 1.00 0.00 C ATOM 2163 CH2 TRP A 139 6.453 11.355 -9.905 1.00 0.00 C ATOM 0 H TRP A 139 9.973 8.079 -6.358 1.00 0.00 H new ATOM 0 HA TRP A 139 8.111 6.039 -6.243 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.628 7.436 -8.441 1.00 0.00 H new ATOM 0 HB3 TRP A 139 8.635 6.052 -8.853 1.00 0.00 H new ATOM 0 HD1 TRP A 139 6.155 6.646 -6.873 1.00 0.00 H new ATOM 0 HE1 TRP A 139 4.539 8.602 -7.382 1.00 0.00 H new ATOM 0 HE3 TRP A 139 9.234 9.392 -9.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 4.614 10.980 -8.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 8.385 11.504 -10.831 1.00 0.00 H new ATOM 0 HH2 TRP A 139 6.108 12.286 -10.330 1.00 0.00 H new ATOM 2174 N THR A 140 11.126 4.993 -6.943 1.00 0.00 N ATOM 2175 CA THR A 140 11.960 3.808 -7.096 1.00 0.00 C ATOM 2176 C THR A 140 12.084 3.060 -5.773 1.00 0.00 C ATOM 2177 O THR A 140 12.087 1.830 -5.742 1.00 0.00 O ATOM 2178 CB THR A 140 13.347 4.201 -7.609 1.00 0.00 C ATOM 2179 OG1 THR A 140 13.250 4.873 -8.851 1.00 0.00 O ATOM 2180 CG2 THR A 140 14.275 3.021 -7.796 1.00 0.00 C ATOM 0 H THR A 140 11.646 5.866 -6.853 1.00 0.00 H new ATOM 0 HA THR A 140 11.487 3.147 -7.822 1.00 0.00 H new ATOM 0 HB THR A 140 13.765 4.850 -6.840 1.00 0.00 H new ATOM 0 HG1 THR A 140 14.147 5.118 -9.162 1.00 0.00 H new ATOM 0 HG21 THR A 140 15.240 3.372 -8.161 1.00 0.00 H new ATOM 0 HG22 THR A 140 14.411 2.511 -6.843 1.00 0.00 H new ATOM 0 HG23 THR A 140 13.843 2.329 -8.519 1.00 0.00 H new ATOM 2188 N ARG A 141 12.185 3.813 -4.680 1.00 0.00 N ATOM 2189 CA ARG A 141 12.304 3.221 -3.354 1.00 0.00 C ATOM 2190 C ARG A 141 11.100 2.338 -3.046 1.00 0.00 C ATOM 2191 O ARG A 141 11.246 1.224 -2.542 1.00 0.00 O ATOM 2192 CB ARG A 141 12.434 4.315 -2.293 1.00 0.00 C ATOM 2193 CG ARG A 141 13.856 4.820 -2.108 1.00 0.00 C ATOM 2194 CD ARG A 141 14.573 4.071 -0.996 1.00 0.00 C ATOM 2195 NE ARG A 141 15.570 4.905 -0.330 1.00 0.00 N ATOM 2196 CZ ARG A 141 16.715 5.286 -0.894 1.00 0.00 C ATOM 2197 NH1 ARG A 141 17.010 4.909 -2.132 1.00 0.00 N ATOM 2198 NH2 ARG A 141 17.567 6.044 -0.218 1.00 0.00 N ATOM 0 H ARG A 141 12.187 4.833 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 141 13.201 2.602 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 141 11.793 5.153 -2.567 1.00 0.00 H new ATOM 0 HB3 ARG A 141 12.067 3.931 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 141 14.408 4.705 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 141 13.838 5.885 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 141 13.844 3.723 -0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 141 15.058 3.186 -1.409 1.00 0.00 H new ATOM 0 HE ARG A 141 15.378 5.214 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 141 16.359 4.325 -2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 141 17.888 5.204 -2.559 1.00 0.00 H new ATOM 0 HH21 ARG A 141 17.346 6.335 0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 141 18.444 6.336 -0.650 1.00 0.00 H new ATOM 2212 N LEU A 142 9.910 2.842 -3.358 1.00 0.00 N ATOM 2213 CA LEU A 142 8.680 2.098 -3.120 1.00 0.00 C ATOM 2214 C LEU A 142 8.517 0.985 -4.149 1.00 0.00 C ATOM 2215 O LEU A 142 7.985 -0.083 -3.846 1.00 0.00 O ATOM 2216 CB LEU A 142 7.472 3.037 -3.168 1.00 0.00 C ATOM 2217 CG LEU A 142 6.381 2.743 -2.137 1.00 0.00 C ATOM 2218 CD1 LEU A 142 5.928 1.295 -2.238 1.00 0.00 C ATOM 2219 CD2 LEU A 142 6.882 3.051 -0.733 1.00 0.00 C ATOM 0 H LEU A 142 9.772 3.762 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 142 8.739 1.649 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.820 4.060 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 142 7.032 2.987 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 142 5.525 3.384 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.152 1.104 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.532 1.107 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 142 6.776 0.635 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 142 6.094 2.837 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 142 7.753 2.434 -0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 142 7.158 4.104 -0.668 1.00 0.00 H new ATOM 2231 N ALA A 143 8.984 1.241 -5.366 1.00 0.00 N ATOM 2232 CA ALA A 143 8.895 0.261 -6.441 1.00 0.00 C ATOM 2233 C ALA A 143 9.748 -0.965 -6.130 1.00 0.00 C ATOM 2234 O ALA A 143 9.352 -2.096 -6.414 1.00 0.00 O ATOM 2235 CB ALA A 143 9.327 0.884 -7.760 1.00 0.00 C ATOM 0 H ALA A 143 9.428 2.120 -5.632 1.00 0.00 H new ATOM 0 HA ALA A 143 7.856 -0.059 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 143 9.256 0.141 -8.554 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.678 1.728 -7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 143 10.357 1.230 -7.679 1.00 0.00 H new ATOM 2241 N LYS A 144 10.915 -0.733 -5.541 1.00 0.00 N ATOM 2242 CA LYS A 144 11.824 -1.816 -5.186 1.00 0.00 C ATOM 2243 C LYS A 144 11.543 -2.330 -3.775 1.00 0.00 C ATOM 2244 O LYS A 144 11.951 -3.435 -3.416 1.00 0.00 O ATOM 2245 CB LYS A 144 13.276 -1.345 -5.291 1.00 0.00 C ATOM 2246 CG LYS A 144 13.617 -0.210 -4.337 1.00 0.00 C ATOM 2247 CD LYS A 144 14.800 -0.560 -3.449 1.00 0.00 C ATOM 2248 CE LYS A 144 14.425 -1.604 -2.407 1.00 0.00 C ATOM 2249 NZ LYS A 144 15.626 -2.176 -1.737 1.00 0.00 N ATOM 0 H LYS A 144 11.255 0.198 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 144 11.662 -2.635 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 144 13.938 -2.188 -5.092 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.471 -1.021 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 144 13.844 0.690 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 144 12.750 0.017 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 144 15.619 -0.935 -4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 144 15.161 0.340 -2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 144 13.773 -1.153 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 144 13.859 -2.405 -2.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 15.328 -2.883 -1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 16.237 -2.629 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 16.153 -1.416 -1.261 1.00 0.00 H new ATOM 2263 N ALA A 145 10.842 -1.526 -2.981 1.00 0.00 N ATOM 2264 CA ALA A 145 10.508 -1.904 -1.613 1.00 0.00 C ATOM 2265 C ALA A 145 9.279 -2.807 -1.580 1.00 0.00 C ATOM 2266 O ALA A 145 9.044 -3.517 -0.602 1.00 0.00 O ATOM 2267 CB ALA A 145 10.272 -0.663 -0.764 1.00 0.00 C ATOM 0 H ALA A 145 10.495 -0.609 -3.262 1.00 0.00 H new ATOM 0 HA ALA A 145 11.350 -2.459 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 145 10.024 -0.961 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 145 11.175 -0.052 -0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.448 -0.086 -1.184 1.00 0.00 H new ATOM 2273 N LEU A 146 8.497 -2.776 -2.655 1.00 0.00 N ATOM 2274 CA LEU A 146 7.294 -3.590 -2.749 1.00 0.00 C ATOM 2275 C LEU A 146 7.584 -4.916 -3.448 1.00 0.00 C ATOM 2276 O LEU A 146 6.836 -5.882 -3.299 1.00 0.00 O ATOM 2277 CB LEU A 146 6.202 -2.831 -3.503 1.00 0.00 C ATOM 2278 CG LEU A 146 5.345 -1.900 -2.644 1.00 0.00 C ATOM 2279 CD1 LEU A 146 4.412 -1.077 -3.519 1.00 0.00 C ATOM 2280 CD2 LEU A 146 4.554 -2.699 -1.618 1.00 0.00 C ATOM 0 H LEU A 146 8.677 -2.194 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 146 6.949 -3.804 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.670 -2.243 -4.293 1.00 0.00 H new ATOM 0 HB3 LEU A 146 5.548 -3.555 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 146 6.005 -1.217 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 146 3.810 -0.420 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 146 5.000 -0.477 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 146 3.757 -1.744 -4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 146 3.950 -2.021 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 146 3.903 -3.406 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 146 5.242 -3.243 -0.971 1.00 0.00 H new ATOM 2292 N SER A 147 8.672 -4.957 -4.214 1.00 0.00 N ATOM 2293 CA SER A 147 9.051 -6.163 -4.932 1.00 0.00 C ATOM 2294 C SER A 147 10.541 -6.451 -4.778 1.00 0.00 C ATOM 2295 O SER A 147 11.233 -6.743 -5.753 1.00 0.00 O ATOM 2296 CB SER A 147 8.694 -6.029 -6.415 1.00 0.00 C ATOM 2297 OG SER A 147 8.831 -4.688 -6.852 1.00 0.00 O ATOM 0 H SER A 147 9.304 -4.168 -4.351 1.00 0.00 H new ATOM 0 HA SER A 147 8.497 -6.998 -4.503 1.00 0.00 H new ATOM 0 HB2 SER A 147 9.340 -6.676 -7.008 1.00 0.00 H new ATOM 0 HB3 SER A 147 7.670 -6.365 -6.578 1.00 0.00 H new ATOM 0 HG SER A 147 8.599 -4.628 -7.802 1.00 0.00 H new