USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=36 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 111 LYS NZ :NH3+ 162:sc= -0.685 (180deg=-0.811) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 101 HIS : no HE2:sc= -2 K(o=-2.9,f=-8!) USER MOD Set 2.2: A 102 GLN : amide:sc= -0.92 K(o=-2.9,f=-5.1!) USER MOD Set 3.1: A 86 CYS SG : rot 106:sc= 0.89 USER MOD Set 3.2: A 90 THR OG1 : rot 97:sc= 1.08 USER MOD Set 4.1: A 21 CYS SG : rot 75:sc= -2.37 USER MOD Set 4.2: A 83 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 45 CYS SG : rot -81:sc= -2.75 USER MOD Set 5.2: A 69 CYS SG : rot -67:sc= -1.54 USER MOD Set 6.1: A 19 CYS SG : rot 31:sc= -0.255 USER MOD Set 6.2: A 72 MET CE :methyl 163:sc= -3.54 (180deg=-4.06) USER MOD Single : A 10 MET CE :methyl -122:sc= -0.649 (180deg=-2.36!) USER MOD Single : A 20 TYR OH : rot 130:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.689 K(o=-0.69,f=-2.8!) USER MOD Single : A 31 MET CE :methyl -131:sc= -5.44 (180deg=-10.5!) USER MOD Single : A 34 GLN : amide:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.22) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 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 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.03 K(o=-1,f=-2.2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -2.77 K(o=-2.8,f=-3.7!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -2.04! USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 172:sc= -1.02 (180deg=-1.13) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -110:sc= -5.46 (180deg=-9.57!) USER MOD Single : A 115 LYS NZ :NH3+ 166:sc= -1.91! (180deg=-3.18!) USER MOD Single : A 119 SER OG : rot 180:sc= 0.034 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot -160:sc= -0.463 USER MOD Single : A 129 TYR OH : rot 165:sc= -0.48 USER MOD Single : A 130 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 131 ASN : amide:sc= -0.337 K(o=-0.34,f=-2.5!) 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+ 178:sc= -1.66 (180deg=-1.77) 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= -0.107 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 10 -7.157 -11.366 -13.540 1.00 0.00 N ATOM 20 CA MET A 10 -6.666 -11.393 -12.166 1.00 0.00 C ATOM 21 C MET A 10 -5.973 -12.721 -11.853 1.00 0.00 C ATOM 22 O MET A 10 -6.634 -13.740 -11.654 1.00 0.00 O ATOM 23 CB MET A 10 -7.828 -11.165 -11.194 1.00 0.00 C ATOM 24 CG MET A 10 -7.430 -11.218 -9.727 1.00 0.00 C ATOM 25 SD MET A 10 -8.745 -11.857 -8.674 1.00 0.00 S ATOM 26 CE MET A 10 -9.721 -10.376 -8.417 1.00 0.00 C ATOM 0 HA MET A 10 -5.934 -10.594 -12.049 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.277 -10.194 -11.403 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.595 -11.917 -11.379 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.545 -11.845 -9.617 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.156 -10.217 -9.393 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.793 -10.169 -7.349 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.244 -9.534 -8.919 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.720 -10.523 -8.826 1.00 0.00 H new ATOM 36 N PRO A 11 -4.626 -12.728 -11.804 1.00 0.00 N ATOM 37 CA PRO A 11 -3.855 -13.943 -11.513 1.00 0.00 C ATOM 38 C PRO A 11 -4.220 -14.548 -10.162 1.00 0.00 C ATOM 39 O PRO A 11 -5.267 -14.237 -9.593 1.00 0.00 O ATOM 40 CB PRO A 11 -2.400 -13.458 -11.503 1.00 0.00 C ATOM 41 CG PRO A 11 -2.412 -12.189 -12.284 1.00 0.00 C ATOM 42 CD PRO A 11 -3.752 -11.563 -12.028 1.00 0.00 C ATOM 0 HA PRO A 11 -4.049 -14.729 -12.243 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.046 -13.292 -10.485 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.735 -14.194 -11.956 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.605 -11.528 -11.968 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.268 -12.383 -13.347 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.730 -10.903 -11.161 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.086 -10.965 -12.876 1.00 0.00 H new ATOM 50 N GLU A 12 -3.352 -15.418 -9.656 1.00 0.00 N ATOM 51 CA GLU A 12 -3.583 -16.070 -8.372 1.00 0.00 C ATOM 52 C GLU A 12 -2.636 -15.531 -7.302 1.00 0.00 C ATOM 53 O GLU A 12 -2.949 -15.563 -6.113 1.00 0.00 O ATOM 54 CB GLU A 12 -3.412 -17.584 -8.507 1.00 0.00 C ATOM 55 CG GLU A 12 -4.637 -18.287 -9.067 1.00 0.00 C ATOM 56 CD GLU A 12 -5.441 -18.997 -7.994 1.00 0.00 C ATOM 57 OE1 GLU A 12 -5.057 -20.120 -7.610 1.00 0.00 O ATOM 58 OE2 GLU A 12 -6.457 -18.428 -7.540 1.00 0.00 O ATOM 0 H GLU A 12 -2.482 -15.688 -10.115 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.606 -15.852 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.559 -17.789 -9.154 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.178 -18.004 -7.528 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.272 -17.558 -9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.324 -19.010 -9.820 1.00 0.00 H new ATOM 65 N ARG A 13 -1.479 -15.036 -7.732 1.00 0.00 N ATOM 66 CA ARG A 13 -0.493 -14.490 -6.806 1.00 0.00 C ATOM 67 C ARG A 13 -0.152 -13.046 -7.162 1.00 0.00 C ATOM 68 O ARG A 13 0.100 -12.726 -8.324 1.00 0.00 O ATOM 69 CB ARG A 13 0.777 -15.343 -6.815 1.00 0.00 C ATOM 70 CG ARG A 13 0.530 -16.811 -6.500 1.00 0.00 C ATOM 71 CD ARG A 13 -0.030 -16.997 -5.096 1.00 0.00 C ATOM 72 NE ARG A 13 0.977 -17.510 -4.169 1.00 0.00 N ATOM 73 CZ ARG A 13 1.780 -16.737 -3.439 1.00 0.00 C ATOM 74 NH1 ARG A 13 1.710 -15.415 -3.527 1.00 0.00 N ATOM 75 NH2 ARG A 13 2.662 -17.291 -2.618 1.00 0.00 N ATOM 0 H ARG A 13 -1.202 -15.002 -8.713 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.925 -14.507 -5.806 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.249 -15.265 -7.794 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.481 -14.938 -6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.166 -17.228 -7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.463 -17.366 -6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.410 -16.044 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.875 -17.685 -5.131 1.00 0.00 H new ATOM 0 HE ARG A 13 1.071 -18.521 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.037 -14.981 -4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.330 -14.833 -2.963 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.724 -18.307 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.278 -16.701 -2.058 1.00 0.00 H new ATOM 89 N PHE A 14 -0.148 -12.180 -6.154 1.00 0.00 N ATOM 90 CA PHE A 14 0.159 -10.768 -6.359 1.00 0.00 C ATOM 91 C PHE A 14 1.347 -10.338 -5.507 1.00 0.00 C ATOM 92 O PHE A 14 1.946 -11.150 -4.802 1.00 0.00 O ATOM 93 CB PHE A 14 -1.060 -9.910 -6.026 1.00 0.00 C ATOM 94 CG PHE A 14 -2.189 -10.080 -7.000 1.00 0.00 C ATOM 95 CD1 PHE A 14 -2.207 -9.371 -8.190 1.00 0.00 C ATOM 96 CD2 PHE A 14 -3.231 -10.951 -6.728 1.00 0.00 C ATOM 97 CE1 PHE A 14 -3.243 -9.526 -9.088 1.00 0.00 C ATOM 98 CE2 PHE A 14 -4.271 -11.111 -7.623 1.00 0.00 C ATOM 99 CZ PHE A 14 -4.277 -10.397 -8.806 1.00 0.00 C ATOM 0 H PHE A 14 -0.354 -12.431 -5.187 1.00 0.00 H new ATOM 0 HA PHE A 14 0.421 -10.627 -7.408 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.411 -10.163 -5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.763 -8.862 -6.004 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.401 -8.689 -8.417 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.230 -11.512 -5.805 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.245 -8.966 -10.012 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.078 -11.793 -7.399 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.088 -10.520 -9.508 1.00 0.00 H new ATOM 109 N ASP A 15 1.686 -9.056 -5.584 1.00 0.00 N ATOM 110 CA ASP A 15 2.805 -8.517 -4.824 1.00 0.00 C ATOM 111 C ASP A 15 2.320 -7.733 -3.613 1.00 0.00 C ATOM 112 O ASP A 15 2.634 -8.080 -2.473 1.00 0.00 O ATOM 113 CB ASP A 15 3.668 -7.621 -5.714 1.00 0.00 C ATOM 114 CG ASP A 15 4.972 -7.227 -5.049 1.00 0.00 C ATOM 115 OD1 ASP A 15 5.798 -8.125 -4.784 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.167 -6.020 -4.792 1.00 0.00 O ATOM 0 H ASP A 15 1.202 -8.372 -6.165 1.00 0.00 H new ATOM 0 HA ASP A 15 3.405 -9.355 -4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.882 -8.140 -6.648 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.108 -6.722 -5.971 1.00 0.00 H new ATOM 121 N ALA A 16 1.557 -6.672 -3.858 1.00 0.00 N ATOM 122 CA ALA A 16 1.044 -5.845 -2.771 1.00 0.00 C ATOM 123 C ALA A 16 -0.320 -5.245 -3.101 1.00 0.00 C ATOM 124 O ALA A 16 -0.803 -5.343 -4.230 1.00 0.00 O ATOM 125 CB ALA A 16 2.040 -4.746 -2.434 1.00 0.00 C ATOM 0 H ALA A 16 1.282 -6.366 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 16 0.912 -6.490 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.647 -4.135 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.985 -5.193 -2.127 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.203 -4.121 -3.312 1.00 0.00 H new ATOM 131 N PHE A 17 -0.937 -4.626 -2.099 1.00 0.00 N ATOM 132 CA PHE A 17 -2.250 -4.009 -2.270 1.00 0.00 C ATOM 133 C PHE A 17 -2.228 -2.545 -1.836 1.00 0.00 C ATOM 134 O PHE A 17 -1.417 -2.146 -1.000 1.00 0.00 O ATOM 135 CB PHE A 17 -3.295 -4.785 -1.463 1.00 0.00 C ATOM 136 CG PHE A 17 -4.702 -4.291 -1.651 1.00 0.00 C ATOM 137 CD1 PHE A 17 -5.153 -3.171 -0.973 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.574 -4.952 -2.501 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.449 -2.718 -1.141 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.869 -4.505 -2.671 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.307 -3.387 -1.990 1.00 0.00 C ATOM 0 H PHE A 17 -0.549 -4.538 -1.160 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.513 -4.043 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.249 -5.837 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.039 -4.727 -0.405 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.486 -2.646 -0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.237 -5.827 -3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.789 -1.842 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.539 -5.030 -3.336 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.320 -3.036 -2.121 1.00 0.00 H new ATOM 151 N ILE A 18 -3.124 -1.745 -2.413 1.00 0.00 N ATOM 152 CA ILE A 18 -3.205 -0.324 -2.089 1.00 0.00 C ATOM 153 C ILE A 18 -4.417 -0.022 -1.211 1.00 0.00 C ATOM 154 O ILE A 18 -5.559 -0.200 -1.632 1.00 0.00 O ATOM 155 CB ILE A 18 -3.292 0.543 -3.363 1.00 0.00 C ATOM 156 CG1 ILE A 18 -2.153 0.198 -4.323 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.259 2.022 -3.004 1.00 0.00 C ATOM 158 CD1 ILE A 18 -0.782 0.569 -3.799 1.00 0.00 C ATOM 0 H ILE A 18 -3.803 -2.058 -3.107 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.292 -0.078 -1.546 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.238 0.331 -3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.176 -0.872 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.321 0.710 -5.271 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.321 2.619 -3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.104 2.258 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.328 2.249 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.025 0.294 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.740 1.643 -3.619 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.593 0.037 -2.867 1.00 0.00 H new ATOM 170 N CYS A 19 -4.163 0.443 0.010 1.00 0.00 N ATOM 171 CA CYS A 19 -5.241 0.772 0.939 1.00 0.00 C ATOM 172 C CYS A 19 -5.353 2.282 1.147 1.00 0.00 C ATOM 173 O CYS A 19 -4.618 2.864 1.944 1.00 0.00 O ATOM 174 CB CYS A 19 -5.012 0.076 2.283 1.00 0.00 C ATOM 175 SG CYS A 19 -6.017 -1.409 2.524 1.00 0.00 S ATOM 0 H CYS A 19 -3.225 0.600 0.378 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.176 0.418 0.505 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.959 -0.193 2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.225 0.781 3.086 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.234 -1.978 1.375 1.00 0.00 H new ATOM 181 N TYR A 20 -6.281 2.910 0.425 1.00 0.00 N ATOM 182 CA TYR A 20 -6.492 4.352 0.533 1.00 0.00 C ATOM 183 C TYR A 20 -7.968 4.703 0.349 1.00 0.00 C ATOM 184 O TYR A 20 -8.743 3.912 -0.189 1.00 0.00 O ATOM 185 CB TYR A 20 -5.643 5.093 -0.503 1.00 0.00 C ATOM 186 CG TYR A 20 -5.636 6.597 -0.327 1.00 0.00 C ATOM 187 CD1 TYR A 20 -5.430 7.172 0.922 1.00 0.00 C ATOM 188 CD2 TYR A 20 -5.832 7.441 -1.411 1.00 0.00 C ATOM 189 CE1 TYR A 20 -5.421 8.545 1.082 1.00 0.00 C ATOM 190 CE2 TYR A 20 -5.823 8.814 -1.258 1.00 0.00 C ATOM 191 CZ TYR A 20 -5.618 9.360 -0.011 1.00 0.00 C ATOM 192 OH TYR A 20 -5.609 10.727 0.145 1.00 0.00 O ATOM 0 H TYR A 20 -6.897 2.443 -0.240 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.186 4.665 1.531 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.618 4.726 -0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.014 4.855 -1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.275 6.536 1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.994 7.017 -2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.260 8.977 2.059 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.976 9.456 -2.113 1.00 0.00 H new ATOM 0 HH TYR A 20 -5.009 11.128 -0.518 1.00 0.00 H new ATOM 202 N CYS A 21 -8.349 5.895 0.802 1.00 0.00 N ATOM 203 CA CYS A 21 -9.731 6.358 0.692 1.00 0.00 C ATOM 204 C CYS A 21 -10.079 6.729 -0.750 1.00 0.00 C ATOM 205 O CYS A 21 -9.206 7.104 -1.531 1.00 0.00 O ATOM 206 CB CYS A 21 -9.961 7.558 1.614 1.00 0.00 C ATOM 207 SG CYS A 21 -11.213 7.281 2.889 1.00 0.00 S ATOM 0 H CYS A 21 -7.718 6.560 1.250 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.384 5.541 0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.019 7.818 2.096 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.257 8.415 1.010 1.00 0.00 H new ATOM 0 HG CYS A 21 -10.724 6.515 3.819 1.00 0.00 H new ATOM 213 N PRO A 22 -11.369 6.624 -1.118 1.00 0.00 N ATOM 214 CA PRO A 22 -11.841 6.944 -2.469 1.00 0.00 C ATOM 215 C PRO A 22 -11.943 8.448 -2.730 1.00 0.00 C ATOM 216 O PRO A 22 -12.378 8.867 -3.803 1.00 0.00 O ATOM 217 CB PRO A 22 -13.230 6.306 -2.509 1.00 0.00 C ATOM 218 CG PRO A 22 -13.700 6.345 -1.097 1.00 0.00 C ATOM 219 CD PRO A 22 -12.472 6.179 -0.241 1.00 0.00 C ATOM 0 HA PRO A 22 -11.153 6.578 -3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.902 6.859 -3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.186 5.284 -2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.202 7.288 -0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.420 5.549 -0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.531 6.782 0.665 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.340 5.144 0.073 1.00 0.00 H new ATOM 227 N SER A 23 -11.539 9.255 -1.754 1.00 0.00 N ATOM 228 CA SER A 23 -11.588 10.704 -1.896 1.00 0.00 C ATOM 229 C SER A 23 -10.534 11.167 -2.886 1.00 0.00 C ATOM 230 O SER A 23 -10.793 12.018 -3.738 1.00 0.00 O ATOM 231 CB SER A 23 -11.369 11.380 -0.541 1.00 0.00 C ATOM 232 OG SER A 23 -12.432 11.092 0.351 1.00 0.00 O ATOM 0 H SER A 23 -11.175 8.930 -0.858 1.00 0.00 H new ATOM 0 HA SER A 23 -12.573 10.984 -2.270 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.427 11.041 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.287 12.458 -0.678 1.00 0.00 H new ATOM 0 HG SER A 23 -12.267 11.534 1.210 1.00 0.00 H new ATOM 238 N ASP A 24 -9.342 10.592 -2.775 1.00 0.00 N ATOM 239 CA ASP A 24 -8.247 10.936 -3.667 1.00 0.00 C ATOM 240 C ASP A 24 -7.510 9.682 -4.127 1.00 0.00 C ATOM 241 O ASP A 24 -6.290 9.690 -4.292 1.00 0.00 O ATOM 242 CB ASP A 24 -7.277 11.894 -2.976 1.00 0.00 C ATOM 243 CG ASP A 24 -6.443 12.685 -3.966 1.00 0.00 C ATOM 244 OD1 ASP A 24 -7.021 13.221 -4.934 1.00 0.00 O ATOM 245 OD2 ASP A 24 -5.212 12.767 -3.774 1.00 0.00 O ATOM 0 H ASP A 24 -9.112 9.886 -2.076 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.665 11.431 -4.543 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.839 12.583 -2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.617 11.327 -2.320 1.00 0.00 H new ATOM 250 N ILE A 25 -8.262 8.606 -4.330 1.00 0.00 N ATOM 251 CA ILE A 25 -7.685 7.340 -4.767 1.00 0.00 C ATOM 252 C ILE A 25 -7.045 7.466 -6.149 1.00 0.00 C ATOM 253 O ILE A 25 -5.978 6.907 -6.400 1.00 0.00 O ATOM 254 CB ILE A 25 -8.749 6.219 -4.786 1.00 0.00 C ATOM 255 CG1 ILE A 25 -8.077 4.845 -4.769 1.00 0.00 C ATOM 256 CG2 ILE A 25 -9.667 6.358 -5.995 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.312 4.523 -6.034 1.00 0.00 C ATOM 0 H ILE A 25 -9.273 8.585 -4.199 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.909 7.077 -4.048 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.361 6.314 -3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.395 4.795 -3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.838 4.081 -4.611 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.406 5.557 -5.984 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.175 7.322 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.077 6.295 -6.909 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.864 3.533 -5.946 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.993 4.539 -6.885 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.527 5.265 -6.183 1.00 0.00 H new ATOM 269 N GLN A 26 -7.707 8.198 -7.041 1.00 0.00 N ATOM 270 CA GLN A 26 -7.205 8.396 -8.400 1.00 0.00 C ATOM 271 C GLN A 26 -5.720 8.747 -8.397 1.00 0.00 C ATOM 272 O GLN A 26 -4.961 8.302 -9.259 1.00 0.00 O ATOM 273 CB GLN A 26 -7.999 9.501 -9.101 1.00 0.00 C ATOM 274 CG GLN A 26 -9.505 9.344 -8.971 1.00 0.00 C ATOM 275 CD GLN A 26 -10.260 9.978 -10.123 1.00 0.00 C ATOM 276 OE1 GLN A 26 -10.700 9.291 -11.045 1.00 0.00 O ATOM 277 NE2 GLN A 26 -10.414 11.296 -10.076 1.00 0.00 N ATOM 0 H GLN A 26 -8.593 8.665 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.332 7.459 -8.943 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.706 10.466 -8.687 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.733 9.513 -10.158 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.753 8.284 -8.919 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.834 9.794 -8.034 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.033 11.826 -9.293 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.914 11.778 -10.823 1.00 0.00 H new ATOM 286 N PHE A 27 -5.311 9.540 -7.414 1.00 0.00 N ATOM 287 CA PHE A 27 -3.915 9.941 -7.294 1.00 0.00 C ATOM 288 C PHE A 27 -3.037 8.730 -7.013 1.00 0.00 C ATOM 289 O PHE A 27 -1.971 8.570 -7.608 1.00 0.00 O ATOM 290 CB PHE A 27 -3.753 10.978 -6.183 1.00 0.00 C ATOM 291 CG PHE A 27 -2.640 11.955 -6.433 1.00 0.00 C ATOM 292 CD1 PHE A 27 -2.810 13.008 -7.318 1.00 0.00 C ATOM 293 CD2 PHE A 27 -1.423 11.820 -5.783 1.00 0.00 C ATOM 294 CE1 PHE A 27 -1.787 13.908 -7.552 1.00 0.00 C ATOM 295 CE2 PHE A 27 -0.396 12.717 -6.014 1.00 0.00 C ATOM 296 CZ PHE A 27 -0.580 13.761 -6.899 1.00 0.00 C ATOM 0 H PHE A 27 -5.924 9.917 -6.691 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.602 10.388 -8.238 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.688 11.526 -6.069 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.569 10.463 -5.240 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.753 13.127 -7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.275 11.006 -5.089 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -1.932 14.724 -8.244 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.548 12.601 -5.503 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.221 14.463 -7.080 1.00 0.00 H new ATOM 306 N VAL A 28 -3.495 7.875 -6.104 1.00 0.00 N ATOM 307 CA VAL A 28 -2.757 6.675 -5.743 1.00 0.00 C ATOM 308 C VAL A 28 -2.724 5.687 -6.904 1.00 0.00 C ATOM 309 O VAL A 28 -1.655 5.326 -7.393 1.00 0.00 O ATOM 310 CB VAL A 28 -3.372 5.984 -4.512 1.00 0.00 C ATOM 311 CG1 VAL A 28 -2.467 4.866 -4.018 1.00 0.00 C ATOM 312 CG2 VAL A 28 -3.632 6.996 -3.406 1.00 0.00 C ATOM 0 H VAL A 28 -4.376 7.994 -5.604 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.741 6.987 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.326 5.545 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.919 4.390 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.336 4.127 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.496 5.278 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.067 6.490 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.693 7.466 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.323 7.758 -3.765 1.00 0.00 H new ATOM 322 N GLN A 29 -3.899 5.255 -7.351 1.00 0.00 N ATOM 323 CA GLN A 29 -3.994 4.312 -8.457 1.00 0.00 C ATOM 324 C GLN A 29 -3.192 4.791 -9.667 1.00 0.00 C ATOM 325 O GLN A 29 -2.799 3.992 -10.514 1.00 0.00 O ATOM 326 CB GLN A 29 -5.456 4.104 -8.843 1.00 0.00 C ATOM 327 CG GLN A 29 -6.127 5.353 -9.389 1.00 0.00 C ATOM 328 CD GLN A 29 -6.219 5.350 -10.903 1.00 0.00 C ATOM 329 OE1 GLN A 29 -5.854 6.325 -11.560 1.00 0.00 O ATOM 330 NE2 GLN A 29 -6.711 4.252 -11.463 1.00 0.00 N ATOM 0 H GLN A 29 -4.797 5.543 -6.964 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.570 3.363 -8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.516 3.313 -9.591 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.008 3.758 -7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.129 5.437 -8.968 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.570 6.232 -9.064 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.001 3.468 -10.879 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.799 4.192 -12.477 1.00 0.00 H new ATOM 339 N GLU A 30 -2.954 6.099 -9.743 1.00 0.00 N ATOM 340 CA GLU A 30 -2.200 6.674 -10.851 1.00 0.00 C ATOM 341 C GLU A 30 -0.706 6.385 -10.709 1.00 0.00 C ATOM 342 O GLU A 30 -0.069 5.888 -11.639 1.00 0.00 O ATOM 343 CB GLU A 30 -2.434 8.185 -10.924 1.00 0.00 C ATOM 344 CG GLU A 30 -3.537 8.583 -11.892 1.00 0.00 C ATOM 345 CD GLU A 30 -3.525 10.064 -12.209 1.00 0.00 C ATOM 346 OE1 GLU A 30 -3.857 10.867 -11.312 1.00 0.00 O ATOM 347 OE2 GLU A 30 -3.186 10.423 -13.357 1.00 0.00 O ATOM 0 H GLU A 30 -3.272 6.778 -9.051 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.552 6.212 -11.773 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.684 8.554 -9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.507 8.674 -11.222 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.426 8.016 -12.816 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.504 8.314 -11.467 1.00 0.00 H new ATOM 354 N MET A 31 -0.150 6.700 -9.545 1.00 0.00 N ATOM 355 CA MET A 31 1.270 6.472 -9.297 1.00 0.00 C ATOM 356 C MET A 31 1.559 4.987 -9.114 1.00 0.00 C ATOM 357 O MET A 31 2.624 4.501 -9.494 1.00 0.00 O ATOM 358 CB MET A 31 1.750 7.260 -8.074 1.00 0.00 C ATOM 359 CG MET A 31 0.751 7.307 -6.932 1.00 0.00 C ATOM 360 SD MET A 31 1.543 7.360 -5.317 1.00 0.00 S ATOM 361 CE MET A 31 0.928 5.841 -4.604 1.00 0.00 C ATOM 0 H MET A 31 -0.657 7.112 -8.761 1.00 0.00 H new ATOM 0 HA MET A 31 1.818 6.826 -10.170 1.00 0.00 H new ATOM 0 HB2 MET A 31 2.678 6.817 -7.712 1.00 0.00 H new ATOM 0 HB3 MET A 31 1.982 8.280 -8.381 1.00 0.00 H new ATOM 0 HG2 MET A 31 0.114 8.184 -7.048 1.00 0.00 H new ATOM 0 HG3 MET A 31 0.103 6.432 -6.986 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.536 6.040 -3.606 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.133 5.440 -5.233 1.00 0.00 H new ATOM 0 HE3 MET A 31 1.739 5.116 -4.538 1.00 0.00 H new ATOM 371 N ILE A 32 0.604 4.266 -8.540 1.00 0.00 N ATOM 372 CA ILE A 32 0.761 2.835 -8.322 1.00 0.00 C ATOM 373 C ILE A 32 0.814 2.086 -9.649 1.00 0.00 C ATOM 374 O ILE A 32 1.764 1.352 -9.920 1.00 0.00 O ATOM 375 CB ILE A 32 -0.385 2.259 -7.458 1.00 0.00 C ATOM 376 CG1 ILE A 32 -0.390 2.911 -6.073 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.255 0.747 -7.334 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.955 2.885 -5.383 1.00 0.00 C ATOM 0 H ILE A 32 -0.285 4.648 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 32 1.702 2.697 -7.789 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.332 2.483 -7.950 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.719 3.946 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.121 2.402 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.070 0.361 -6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.299 0.296 -8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.698 0.501 -6.865 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.873 3.365 -4.408 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.278 1.852 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.686 3.420 -5.990 1.00 0.00 H new ATOM 390 N ARG A 33 -0.211 2.279 -10.477 1.00 0.00 N ATOM 391 CA ARG A 33 -0.272 1.623 -11.773 1.00 0.00 C ATOM 392 C ARG A 33 0.940 1.996 -12.618 1.00 0.00 C ATOM 393 O ARG A 33 1.443 1.184 -13.397 1.00 0.00 O ATOM 394 CB ARG A 33 -1.564 2.006 -12.495 1.00 0.00 C ATOM 395 CG ARG A 33 -1.625 3.466 -12.911 1.00 0.00 C ATOM 396 CD ARG A 33 -1.039 3.677 -14.297 1.00 0.00 C ATOM 397 NE ARG A 33 -1.719 4.748 -15.022 1.00 0.00 N ATOM 398 CZ ARG A 33 -2.995 4.696 -15.397 1.00 0.00 C ATOM 399 NH1 ARG A 33 -3.733 3.627 -15.119 1.00 0.00 N ATOM 400 NH2 ARG A 33 -3.536 5.715 -16.052 1.00 0.00 N ATOM 0 H ARG A 33 -1.006 2.883 -10.271 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.263 0.544 -11.619 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.673 1.381 -13.381 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.411 1.788 -11.845 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.661 3.806 -12.897 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.080 4.074 -12.189 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.021 3.915 -14.210 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.112 2.750 -14.866 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.184 5.585 -15.254 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.322 2.841 -14.616 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.710 3.593 -15.409 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.974 6.538 -16.268 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.514 5.675 -16.339 1.00 0.00 H new ATOM 414 N GLN A 34 1.417 3.225 -12.445 1.00 0.00 N ATOM 415 CA GLN A 34 2.579 3.703 -13.178 1.00 0.00 C ATOM 416 C GLN A 34 3.848 3.060 -12.629 1.00 0.00 C ATOM 417 O GLN A 34 4.868 2.987 -13.315 1.00 0.00 O ATOM 418 CB GLN A 34 2.679 5.228 -13.080 1.00 0.00 C ATOM 419 CG GLN A 34 3.868 5.810 -13.829 1.00 0.00 C ATOM 420 CD GLN A 34 3.460 6.845 -14.859 1.00 0.00 C ATOM 421 OE1 GLN A 34 3.912 7.989 -14.819 1.00 0.00 O ATOM 422 NE2 GLN A 34 2.600 6.446 -15.790 1.00 0.00 N ATOM 0 H GLN A 34 1.014 3.907 -11.802 1.00 0.00 H new ATOM 0 HA GLN A 34 2.468 3.426 -14.226 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.762 5.670 -13.471 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.747 5.512 -12.030 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.555 6.265 -13.115 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.410 5.004 -14.324 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.251 5.488 -15.785 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.289 7.098 -16.510 1.00 0.00 H new ATOM 431 N LEU A 35 3.775 2.599 -11.383 1.00 0.00 N ATOM 432 CA LEU A 35 4.910 1.965 -10.734 1.00 0.00 C ATOM 433 C LEU A 35 5.019 0.494 -11.123 1.00 0.00 C ATOM 434 O LEU A 35 6.096 0.013 -11.473 1.00 0.00 O ATOM 435 CB LEU A 35 4.781 2.090 -9.217 1.00 0.00 C ATOM 436 CG LEU A 35 5.195 3.444 -8.641 1.00 0.00 C ATOM 437 CD1 LEU A 35 4.656 3.611 -7.230 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.709 3.582 -8.655 1.00 0.00 C ATOM 0 H LEU A 35 2.937 2.655 -10.804 1.00 0.00 H new ATOM 0 HA LEU A 35 5.815 2.474 -11.066 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.745 1.895 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.388 1.313 -8.751 1.00 0.00 H new ATOM 0 HG LEU A 35 4.770 4.231 -9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.961 4.581 -6.836 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.568 3.552 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.052 2.820 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.990 4.551 -8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.152 2.789 -8.053 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.072 3.505 -9.680 1.00 0.00 H new ATOM 450 N GLU A 36 3.900 -0.218 -11.046 1.00 0.00 N ATOM 451 CA GLU A 36 3.872 -1.638 -11.378 1.00 0.00 C ATOM 452 C GLU A 36 4.204 -1.874 -12.850 1.00 0.00 C ATOM 453 O GLU A 36 4.789 -2.897 -13.205 1.00 0.00 O ATOM 454 CB GLU A 36 2.503 -2.238 -11.046 1.00 0.00 C ATOM 455 CG GLU A 36 1.339 -1.504 -11.693 1.00 0.00 C ATOM 456 CD GLU A 36 -0.008 -2.004 -11.208 1.00 0.00 C ATOM 457 OE1 GLU A 36 -0.033 -2.871 -10.309 1.00 0.00 O ATOM 458 OE2 GLU A 36 -1.040 -1.528 -11.726 1.00 0.00 O ATOM 0 H GLU A 36 3.000 0.165 -10.756 1.00 0.00 H new ATOM 0 HA GLU A 36 4.634 -2.133 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.486 -3.280 -11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.367 -2.234 -9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.424 -0.438 -11.482 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.397 -1.620 -12.775 1.00 0.00 H new ATOM 465 N GLN A 37 3.825 -0.928 -13.704 1.00 0.00 N ATOM 466 CA GLN A 37 4.082 -1.042 -15.131 1.00 0.00 C ATOM 467 C GLN A 37 5.572 -0.907 -15.447 1.00 0.00 C ATOM 468 O GLN A 37 6.013 -1.246 -16.545 1.00 0.00 O ATOM 469 CB GLN A 37 3.294 0.025 -15.883 1.00 0.00 C ATOM 470 CG GLN A 37 3.701 1.443 -15.521 1.00 0.00 C ATOM 471 CD GLN A 37 3.349 2.446 -16.602 1.00 0.00 C ATOM 472 OE1 GLN A 37 4.153 3.312 -16.949 1.00 0.00 O ATOM 473 NE2 GLN A 37 2.141 2.334 -17.143 1.00 0.00 N ATOM 0 H GLN A 37 3.339 -0.074 -13.430 1.00 0.00 H new ATOM 0 HA GLN A 37 3.761 -2.033 -15.453 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.429 -0.122 -16.955 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.232 -0.104 -15.675 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.212 1.731 -14.591 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.775 1.473 -15.339 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.506 1.602 -16.826 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.848 2.980 -17.876 1.00 0.00 H new ATOM 555 N LEU A 42 6.580 -5.914 -10.410 1.00 0.00 N ATOM 556 CA LEU A 42 5.715 -5.482 -9.318 1.00 0.00 C ATOM 557 C LEU A 42 4.246 -5.647 -9.694 1.00 0.00 C ATOM 558 O LEU A 42 3.808 -5.181 -10.746 1.00 0.00 O ATOM 559 CB LEU A 42 6.004 -4.024 -8.957 1.00 0.00 C ATOM 560 CG LEU A 42 5.211 -3.483 -7.766 1.00 0.00 C ATOM 561 CD1 LEU A 42 6.024 -3.601 -6.487 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.801 -2.037 -8.008 1.00 0.00 C ATOM 0 HA LEU A 42 5.922 -6.109 -8.451 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.068 -3.923 -8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.794 -3.402 -9.827 1.00 0.00 H new ATOM 0 HG LEU A 42 4.307 -4.081 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.444 -3.211 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.266 -4.648 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.946 -3.028 -6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.238 -1.670 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.692 -1.424 -8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.179 -1.980 -8.901 1.00 0.00 H new ATOM 574 N LYS A 43 3.490 -6.311 -8.827 1.00 0.00 N ATOM 575 CA LYS A 43 2.069 -6.536 -9.067 1.00 0.00 C ATOM 576 C LYS A 43 1.235 -6.049 -7.890 1.00 0.00 C ATOM 577 O LYS A 43 0.991 -6.789 -6.936 1.00 0.00 O ATOM 578 CB LYS A 43 1.801 -8.023 -9.319 1.00 0.00 C ATOM 579 CG LYS A 43 2.774 -8.660 -10.298 1.00 0.00 C ATOM 580 CD LYS A 43 2.297 -8.509 -11.733 1.00 0.00 C ATOM 581 CE LYS A 43 3.464 -8.444 -12.706 1.00 0.00 C ATOM 582 NZ LYS A 43 3.634 -9.717 -13.457 1.00 0.00 N ATOM 0 H LYS A 43 3.837 -6.703 -7.952 1.00 0.00 H new ATOM 0 HA LYS A 43 1.781 -5.968 -9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.850 -8.558 -8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.786 -8.141 -9.699 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.756 -8.199 -10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.890 -9.718 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.652 -9.348 -11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.696 -7.605 -11.824 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.305 -7.627 -13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.380 -8.220 -12.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.440 -9.631 -14.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.812 -10.493 -12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.770 -9.918 -13.999 1.00 0.00 H new ATOM 596 N LEU A 44 0.803 -4.796 -7.963 1.00 0.00 N ATOM 597 CA LEU A 44 -0.001 -4.203 -6.907 1.00 0.00 C ATOM 598 C LEU A 44 -1.488 -4.410 -7.167 1.00 0.00 C ATOM 599 O LEU A 44 -1.884 -4.840 -8.250 1.00 0.00 O ATOM 600 CB LEU A 44 0.308 -2.713 -6.786 1.00 0.00 C ATOM 601 CG LEU A 44 1.324 -2.362 -5.702 1.00 0.00 C ATOM 602 CD1 LEU A 44 2.226 -1.228 -6.161 1.00 0.00 C ATOM 603 CD2 LEU A 44 0.610 -1.997 -4.412 1.00 0.00 C ATOM 0 H LEU A 44 0.998 -4.171 -8.745 1.00 0.00 H new ATOM 0 HA LEU A 44 0.252 -4.699 -5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.680 -2.353 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.620 -2.178 -6.583 1.00 0.00 H new ATOM 0 HG LEU A 44 1.949 -3.235 -5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.943 -0.992 -5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.761 -1.530 -7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.622 -0.347 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.345 -1.749 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.038 -1.138 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.009 -2.842 -4.077 1.00 0.00 H new ATOM 615 N CYS A 45 -2.310 -4.103 -6.167 1.00 0.00 N ATOM 616 CA CYS A 45 -3.753 -4.263 -6.297 1.00 0.00 C ATOM 617 C CYS A 45 -4.502 -3.156 -5.561 1.00 0.00 C ATOM 618 O CYS A 45 -3.918 -2.410 -4.777 1.00 0.00 O ATOM 619 CB CYS A 45 -4.182 -5.626 -5.756 1.00 0.00 C ATOM 620 SG CYS A 45 -3.124 -7.008 -6.292 1.00 0.00 S ATOM 0 H CYS A 45 -2.003 -3.744 -5.263 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.003 -4.198 -7.356 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.186 -5.587 -4.667 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.206 -5.824 -6.072 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.466 -7.377 -7.491 1.00 0.00 H new ATOM 625 N VAL A 46 -5.804 -3.064 -5.821 1.00 0.00 N ATOM 626 CA VAL A 46 -6.644 -2.057 -5.185 1.00 0.00 C ATOM 627 C VAL A 46 -7.996 -2.647 -4.791 1.00 0.00 C ATOM 628 O VAL A 46 -8.293 -3.800 -5.102 1.00 0.00 O ATOM 629 CB VAL A 46 -6.873 -0.845 -6.107 1.00 0.00 C ATOM 630 CG1 VAL A 46 -5.568 -0.104 -6.351 1.00 0.00 C ATOM 631 CG2 VAL A 46 -7.502 -1.282 -7.422 1.00 0.00 C ATOM 0 H VAL A 46 -6.299 -3.677 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.117 -1.723 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.564 -0.162 -5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.751 0.749 -7.005 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.166 0.247 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.851 -0.776 -6.823 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -7.656 -0.411 -8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.841 -1.987 -7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.461 -1.761 -7.225 1.00 0.00 H new ATOM 641 N SER A 47 -8.808 -1.849 -4.106 1.00 0.00 N ATOM 642 CA SER A 47 -10.126 -2.299 -3.671 1.00 0.00 C ATOM 643 C SER A 47 -11.101 -2.346 -4.844 1.00 0.00 C ATOM 644 O SER A 47 -10.869 -1.726 -5.882 1.00 0.00 O ATOM 645 CB SER A 47 -10.669 -1.374 -2.578 1.00 0.00 C ATOM 646 OG SER A 47 -12.062 -1.557 -2.400 1.00 0.00 O ATOM 0 H SER A 47 -8.578 -0.891 -3.841 1.00 0.00 H new ATOM 0 HA SER A 47 -10.023 -3.306 -3.268 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.150 -1.571 -1.640 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.466 -0.336 -2.842 1.00 0.00 H new ATOM 0 HG SER A 47 -12.384 -0.956 -1.696 1.00 0.00 H new ATOM 781 N VAL A 57 -7.673 -1.281 -15.172 1.00 0.00 N ATOM 782 CA VAL A 57 -6.573 -1.107 -14.231 1.00 0.00 C ATOM 783 C VAL A 57 -6.368 -2.357 -13.383 1.00 0.00 C ATOM 784 O VAL A 57 -7.168 -3.291 -13.431 1.00 0.00 O ATOM 785 CB VAL A 57 -6.818 0.096 -13.299 1.00 0.00 C ATOM 786 CG1 VAL A 57 -6.744 1.399 -14.077 1.00 0.00 C ATOM 787 CG2 VAL A 57 -8.159 -0.040 -12.594 1.00 0.00 C ATOM 0 HA VAL A 57 -5.677 -0.924 -14.824 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.035 0.110 -12.540 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.920 2.236 -13.402 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.757 1.498 -14.528 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.502 1.399 -14.860 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -8.315 0.818 -11.940 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.957 -0.081 -13.335 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.167 -0.954 -12.001 1.00 0.00 H new ATOM 797 N TRP A 58 -5.289 -2.367 -12.607 1.00 0.00 N ATOM 798 CA TRP A 58 -4.972 -3.499 -11.747 1.00 0.00 C ATOM 799 C TRP A 58 -5.770 -3.431 -10.447 1.00 0.00 C ATOM 800 O TRP A 58 -5.606 -2.505 -9.655 1.00 0.00 O ATOM 801 CB TRP A 58 -3.472 -3.519 -11.445 1.00 0.00 C ATOM 802 CG TRP A 58 -2.829 -4.841 -11.720 1.00 0.00 C ATOM 803 CD1 TRP A 58 -3.260 -6.060 -11.290 1.00 0.00 C ATOM 804 CD2 TRP A 58 -1.643 -5.079 -12.487 1.00 0.00 C ATOM 805 NE1 TRP A 58 -2.413 -7.045 -11.737 1.00 0.00 N ATOM 806 CE2 TRP A 58 -1.413 -6.468 -12.474 1.00 0.00 C ATOM 807 CE3 TRP A 58 -0.754 -4.255 -13.181 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -0.331 -7.049 -13.130 1.00 0.00 C ATOM 809 CZ3 TRP A 58 0.321 -4.833 -13.832 1.00 0.00 C ATOM 810 CH2 TRP A 58 0.524 -6.218 -13.803 1.00 0.00 C ATOM 0 H TRP A 58 -4.618 -1.600 -12.557 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.244 -4.417 -12.267 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -2.978 -2.752 -12.042 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.316 -3.258 -10.398 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.139 -6.227 -10.686 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.513 -8.043 -11.551 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.903 -3.186 -13.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.172 -8.117 -13.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.015 -4.206 -14.371 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.372 -6.639 -14.322 1.00 0.00 H new ATOM 821 N SER A 59 -6.634 -4.420 -10.237 1.00 0.00 N ATOM 822 CA SER A 59 -7.460 -4.469 -9.034 1.00 0.00 C ATOM 823 C SER A 59 -7.553 -5.893 -8.492 1.00 0.00 C ATOM 824 O SER A 59 -7.193 -6.852 -9.174 1.00 0.00 O ATOM 825 CB SER A 59 -8.860 -3.930 -9.330 1.00 0.00 C ATOM 826 OG SER A 59 -9.199 -4.110 -10.694 1.00 0.00 O ATOM 0 H SER A 59 -6.780 -5.196 -10.882 1.00 0.00 H new ATOM 0 HA SER A 59 -6.990 -3.843 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.590 -4.440 -8.701 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.906 -2.871 -9.078 1.00 0.00 H new ATOM 0 HG SER A 59 -10.099 -3.759 -10.856 1.00 0.00 H new ATOM 832 N ILE A 60 -8.039 -6.020 -7.260 1.00 0.00 N ATOM 833 CA ILE A 60 -8.181 -7.325 -6.625 1.00 0.00 C ATOM 834 C ILE A 60 -9.185 -7.273 -5.478 1.00 0.00 C ATOM 835 O ILE A 60 -9.378 -6.226 -4.858 1.00 0.00 O ATOM 836 CB ILE A 60 -6.825 -7.841 -6.086 1.00 0.00 C ATOM 837 CG1 ILE A 60 -6.800 -9.373 -6.080 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.556 -7.297 -4.685 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.712 -9.963 -5.207 1.00 0.00 C ATOM 0 H ILE A 60 -8.341 -5.235 -6.683 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.544 -8.011 -7.390 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.036 -7.483 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.767 -9.742 -5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.666 -9.729 -7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.598 -7.673 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.530 -6.208 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.348 -7.621 -4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.758 -11.051 -5.254 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.738 -9.625 -5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.856 -9.638 -4.177 1.00 0.00 H new ATOM 851 N ALA A 61 -9.807 -8.407 -5.186 1.00 0.00 N ATOM 852 CA ALA A 61 -10.769 -8.485 -4.097 1.00 0.00 C ATOM 853 C ALA A 61 -10.065 -8.284 -2.760 1.00 0.00 C ATOM 854 O ALA A 61 -8.975 -8.814 -2.537 1.00 0.00 O ATOM 855 CB ALA A 61 -11.500 -9.819 -4.128 1.00 0.00 C ATOM 0 H ALA A 61 -9.663 -9.284 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.506 -7.692 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.216 -9.861 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -12.029 -9.922 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.780 -10.631 -4.024 1.00 0.00 H new ATOM 861 N SER A 62 -10.683 -7.510 -1.876 1.00 0.00 N ATOM 862 CA SER A 62 -10.102 -7.233 -0.565 1.00 0.00 C ATOM 863 C SER A 62 -9.927 -8.507 0.258 1.00 0.00 C ATOM 864 O SER A 62 -9.223 -8.507 1.268 1.00 0.00 O ATOM 865 CB SER A 62 -10.975 -6.236 0.199 1.00 0.00 C ATOM 866 OG SER A 62 -10.996 -4.976 -0.448 1.00 0.00 O ATOM 0 H SER A 62 -11.585 -7.063 -2.041 1.00 0.00 H new ATOM 0 HA SER A 62 -9.114 -6.802 -0.728 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.990 -6.624 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.597 -6.120 1.215 1.00 0.00 H new ATOM 0 HG SER A 62 -11.562 -4.357 0.059 1.00 0.00 H new ATOM 872 N GLU A 63 -10.567 -9.592 -0.168 1.00 0.00 N ATOM 873 CA GLU A 63 -10.469 -10.861 0.545 1.00 0.00 C ATOM 874 C GLU A 63 -9.242 -11.655 0.101 1.00 0.00 C ATOM 875 O GLU A 63 -8.822 -12.589 0.785 1.00 0.00 O ATOM 876 CB GLU A 63 -11.735 -11.693 0.327 1.00 0.00 C ATOM 877 CG GLU A 63 -12.179 -11.758 -1.125 1.00 0.00 C ATOM 878 CD GLU A 63 -12.918 -13.041 -1.452 1.00 0.00 C ATOM 879 OE1 GLU A 63 -13.585 -13.589 -0.550 1.00 0.00 O ATOM 880 OE2 GLU A 63 -12.829 -13.498 -2.611 1.00 0.00 O ATOM 0 H GLU A 63 -11.157 -9.618 -1.000 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.364 -10.638 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.561 -12.706 0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.543 -11.274 0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.824 -10.906 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.306 -11.671 -1.772 1.00 0.00 H new ATOM 887 N LEU A 64 -8.670 -11.286 -1.043 1.00 0.00 N ATOM 888 CA LEU A 64 -7.501 -11.974 -1.562 1.00 0.00 C ATOM 889 C LEU A 64 -6.208 -11.271 -1.150 1.00 0.00 C ATOM 890 O LEU A 64 -5.118 -11.693 -1.531 1.00 0.00 O ATOM 891 CB LEU A 64 -7.567 -12.071 -3.087 1.00 0.00 C ATOM 892 CG LEU A 64 -8.956 -11.910 -3.700 1.00 0.00 C ATOM 893 CD1 LEU A 64 -8.872 -11.915 -5.220 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.879 -13.014 -3.216 1.00 0.00 C ATOM 0 H LEU A 64 -9.000 -10.515 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.499 -12.977 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.913 -11.309 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.166 -13.039 -3.389 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.365 -10.951 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.871 -11.799 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.241 -11.091 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.444 -12.859 -5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.865 -12.885 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.472 -13.982 -3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.963 -12.968 -2.130 1.00 0.00 H new ATOM 906 N ILE A 65 -6.329 -10.195 -0.378 1.00 0.00 N ATOM 907 CA ILE A 65 -5.161 -9.446 0.064 1.00 0.00 C ATOM 908 C ILE A 65 -4.368 -10.220 1.112 1.00 0.00 C ATOM 909 O ILE A 65 -3.203 -10.555 0.902 1.00 0.00 O ATOM 910 CB ILE A 65 -5.556 -8.075 0.644 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.521 -7.354 -0.299 1.00 0.00 C ATOM 912 CG2 ILE A 65 -4.315 -7.229 0.888 1.00 0.00 C ATOM 913 CD1 ILE A 65 -6.931 -5.982 0.190 1.00 0.00 C ATOM 0 H ILE A 65 -7.220 -9.825 -0.048 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.537 -9.293 -0.817 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.061 -8.232 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.054 -7.257 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.413 -7.966 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.608 -6.263 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.660 -7.739 1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.786 -7.078 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.615 -5.529 -0.528 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.427 -6.073 1.156 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.047 -5.354 0.294 1.00 0.00 H new ATOM 925 N GLU A 66 -5.006 -10.498 2.243 1.00 0.00 N ATOM 926 CA GLU A 66 -4.361 -11.227 3.325 1.00 0.00 C ATOM 927 C GLU A 66 -3.990 -12.650 2.904 1.00 0.00 C ATOM 928 O GLU A 66 -3.225 -13.325 3.593 1.00 0.00 O ATOM 929 CB GLU A 66 -5.280 -11.270 4.546 1.00 0.00 C ATOM 930 CG GLU A 66 -6.720 -11.623 4.214 1.00 0.00 C ATOM 931 CD GLU A 66 -7.505 -12.071 5.431 1.00 0.00 C ATOM 932 OE1 GLU A 66 -7.383 -13.255 5.816 1.00 0.00 O ATOM 933 OE2 GLU A 66 -8.242 -11.240 6.002 1.00 0.00 O ATOM 0 H GLU A 66 -5.971 -10.228 2.433 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.440 -10.701 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.891 -11.999 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.258 -10.299 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.209 -10.757 3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.733 -12.416 3.466 1.00 0.00 H new ATOM 940 N LYS A 67 -4.540 -13.108 1.781 1.00 0.00 N ATOM 941 CA LYS A 67 -4.262 -14.455 1.296 1.00 0.00 C ATOM 942 C LYS A 67 -3.293 -14.442 0.113 1.00 0.00 C ATOM 943 O LYS A 67 -2.245 -15.087 0.154 1.00 0.00 O ATOM 944 CB LYS A 67 -5.565 -15.146 0.887 1.00 0.00 C ATOM 945 CG LYS A 67 -6.648 -15.076 1.952 1.00 0.00 C ATOM 946 CD LYS A 67 -6.905 -16.436 2.582 1.00 0.00 C ATOM 947 CE LYS A 67 -8.211 -17.042 2.090 1.00 0.00 C ATOM 948 NZ LYS A 67 -8.925 -17.775 3.172 1.00 0.00 N ATOM 0 H LYS A 67 -5.177 -12.569 1.194 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.793 -15.007 2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.938 -14.689 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -5.357 -16.192 0.660 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.353 -14.367 2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.570 -14.700 1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.080 -17.108 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.936 -16.335 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.854 -16.252 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.007 -17.723 1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.810 -18.173 2.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.322 -18.545 3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.143 -17.120 3.950 1.00 0.00 H new ATOM 962 N ARG A 68 -3.655 -13.719 -0.943 1.00 0.00 N ATOM 963 CA ARG A 68 -2.818 -13.643 -2.139 1.00 0.00 C ATOM 964 C ARG A 68 -1.738 -12.575 -2.008 1.00 0.00 C ATOM 965 O ARG A 68 -0.546 -12.873 -2.106 1.00 0.00 O ATOM 966 CB ARG A 68 -3.680 -13.366 -3.372 1.00 0.00 C ATOM 967 CG ARG A 68 -4.890 -14.279 -3.482 1.00 0.00 C ATOM 968 CD ARG A 68 -5.549 -14.169 -4.847 1.00 0.00 C ATOM 969 NE ARG A 68 -6.793 -14.935 -4.919 1.00 0.00 N ATOM 970 CZ ARG A 68 -6.844 -16.265 -4.955 1.00 0.00 C ATOM 971 NH1 ARG A 68 -5.726 -16.980 -4.929 1.00 0.00 N ATOM 972 NH2 ARG A 68 -8.016 -16.881 -5.017 1.00 0.00 N ATOM 0 H ARG A 68 -4.519 -13.179 -0.996 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.321 -14.607 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.018 -12.330 -3.344 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.067 -13.478 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.586 -15.311 -3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.612 -14.023 -2.707 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.755 -13.121 -5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.859 -14.525 -5.612 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.673 -14.420 -4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.822 -16.511 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.771 -17.999 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.878 -16.336 -5.037 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.056 -17.900 -5.045 1.00 0.00 H new ATOM 986 N CYS A 69 -2.152 -11.328 -1.793 1.00 0.00 N ATOM 987 CA CYS A 69 -1.202 -10.227 -1.659 1.00 0.00 C ATOM 988 C CYS A 69 -0.195 -10.510 -0.548 1.00 0.00 C ATOM 989 O CYS A 69 -0.542 -11.081 0.485 1.00 0.00 O ATOM 990 CB CYS A 69 -1.938 -8.913 -1.381 1.00 0.00 C ATOM 991 SG CYS A 69 -2.966 -8.337 -2.753 1.00 0.00 S ATOM 0 H CYS A 69 -3.132 -11.056 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.660 -10.133 -2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.566 -9.040 -0.499 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.205 -8.142 -1.142 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.207 -8.009 -3.756 1.00 0.00 H new ATOM 997 N ARG A 70 1.053 -10.117 -0.775 1.00 0.00 N ATOM 998 CA ARG A 70 2.114 -10.337 0.202 1.00 0.00 C ATOM 999 C ARG A 70 2.276 -9.132 1.118 1.00 0.00 C ATOM 1000 O ARG A 70 2.239 -9.257 2.342 1.00 0.00 O ATOM 1001 CB ARG A 70 3.440 -10.613 -0.507 1.00 0.00 C ATOM 1002 CG ARG A 70 3.325 -11.541 -1.702 1.00 0.00 C ATOM 1003 CD ARG A 70 4.517 -11.385 -2.631 1.00 0.00 C ATOM 1004 NE ARG A 70 4.952 -12.662 -3.188 1.00 0.00 N ATOM 1005 CZ ARG A 70 5.744 -13.520 -2.549 1.00 0.00 C ATOM 1006 NH1 ARG A 70 6.187 -13.243 -1.328 1.00 0.00 N ATOM 1007 NH2 ARG A 70 6.094 -14.659 -3.131 1.00 0.00 N ATOM 0 H ARG A 70 1.355 -9.644 -1.627 1.00 0.00 H new ATOM 0 HA ARG A 70 1.834 -11.201 0.805 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.867 -9.666 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.139 -11.046 0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.259 -12.574 -1.360 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.405 -11.326 -2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.256 -10.706 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.343 -10.928 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 70 4.630 -12.912 -4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.921 -12.369 -0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.794 -13.904 -0.843 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.756 -14.878 -4.068 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.701 -15.316 -2.641 1.00 0.00 H new ATOM 1021 N ARG A 71 2.474 -7.968 0.513 1.00 0.00 N ATOM 1022 CA ARG A 71 2.665 -6.736 1.269 1.00 0.00 C ATOM 1023 C ARG A 71 1.489 -5.782 1.091 1.00 0.00 C ATOM 1024 O ARG A 71 0.717 -5.888 0.137 1.00 0.00 O ATOM 1025 CB ARG A 71 3.970 -6.051 0.847 1.00 0.00 C ATOM 1026 CG ARG A 71 4.302 -6.206 -0.629 1.00 0.00 C ATOM 1027 CD ARG A 71 5.393 -7.240 -0.848 1.00 0.00 C ATOM 1028 NE ARG A 71 6.637 -6.872 -0.173 1.00 0.00 N ATOM 1029 CZ ARG A 71 7.560 -7.747 0.214 1.00 0.00 C ATOM 1030 NH1 ARG A 71 7.397 -9.046 -0.015 1.00 0.00 N ATOM 1031 NH2 ARG A 71 8.654 -7.324 0.831 1.00 0.00 N ATOM 0 H ARG A 71 2.507 -7.851 -0.500 1.00 0.00 H new ATOM 0 HA ARG A 71 2.724 -7.000 2.325 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.904 -4.989 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.790 -6.459 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.406 -6.499 -1.176 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.622 -5.246 -1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.054 -8.209 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.579 -7.351 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 71 6.807 -5.883 0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.559 -9.379 -0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.110 -9.710 0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.787 -6.328 1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.363 -7.994 1.129 1.00 0.00 H new ATOM 1045 N MET A 72 1.361 -4.851 2.026 1.00 0.00 N ATOM 1046 CA MET A 72 0.287 -3.875 1.997 1.00 0.00 C ATOM 1047 C MET A 72 0.843 -2.467 1.829 1.00 0.00 C ATOM 1048 O MET A 72 1.923 -2.150 2.327 1.00 0.00 O ATOM 1049 CB MET A 72 -0.525 -3.963 3.288 1.00 0.00 C ATOM 1050 CG MET A 72 -1.691 -4.935 3.211 1.00 0.00 C ATOM 1051 SD MET A 72 -3.275 -4.105 2.990 1.00 0.00 S ATOM 1052 CE MET A 72 -2.841 -2.874 1.763 1.00 0.00 C ATOM 0 H MET A 72 1.995 -4.753 2.819 1.00 0.00 H new ATOM 0 HA MET A 72 -0.359 -4.094 1.147 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.135 -4.264 4.102 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.905 -2.972 3.536 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.529 -5.626 2.383 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.722 -5.532 4.123 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.748 -2.485 1.301 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.300 -2.058 2.242 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.211 -3.329 0.999 1.00 0.00 H new ATOM 1062 N VAL A 73 0.097 -1.621 1.132 1.00 0.00 N ATOM 1063 CA VAL A 73 0.515 -0.246 0.915 1.00 0.00 C ATOM 1064 C VAL A 73 -0.584 0.708 1.349 1.00 0.00 C ATOM 1065 O VAL A 73 -1.510 0.994 0.592 1.00 0.00 O ATOM 1066 CB VAL A 73 0.870 0.011 -0.561 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.402 1.425 -0.747 1.00 0.00 C ATOM 1068 CG2 VAL A 73 1.880 -1.014 -1.051 1.00 0.00 C ATOM 0 H VAL A 73 -0.799 -1.863 0.709 1.00 0.00 H new ATOM 0 HA VAL A 73 1.409 -0.073 1.514 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.037 -0.091 -1.156 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.647 1.586 -1.797 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.643 2.143 -0.437 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.298 1.559 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.120 -0.818 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.788 -0.946 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.458 -2.014 -0.957 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.479 1.193 2.580 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.467 2.106 3.121 1.00 0.00 C ATOM 1080 C VAL A 74 -1.058 3.552 2.888 1.00 0.00 C ATOM 1081 O VAL A 74 0.126 3.884 2.904 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.690 1.880 4.632 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -2.714 0.779 4.861 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -0.382 1.555 5.338 1.00 0.00 C ATOM 0 H VAL A 74 0.283 0.967 3.220 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.401 1.903 2.597 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.077 2.806 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.858 0.633 5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.661 1.062 4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.357 -0.149 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.571 1.401 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.047 0.649 4.910 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.316 2.382 5.210 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.045 4.406 2.669 1.00 0.00 N ATOM 1095 CA VAL A 75 -1.793 5.816 2.431 1.00 0.00 C ATOM 1096 C VAL A 75 -2.443 6.666 3.521 1.00 0.00 C ATOM 1097 O VAL A 75 -3.617 7.022 3.430 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.314 6.244 1.044 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.109 7.738 0.816 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -1.633 5.435 -0.048 1.00 0.00 C ATOM 0 H VAL A 75 -3.031 4.145 2.651 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.715 5.974 2.456 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.385 6.046 1.007 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.486 8.011 -0.170 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.648 8.300 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.046 7.973 0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.010 5.748 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.556 5.601 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.843 4.376 0.099 1.00 0.00 H new ATOM 1110 N VAL A 76 -1.668 6.977 4.556 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.160 7.771 5.677 1.00 0.00 C ATOM 1112 C VAL A 76 -2.268 9.249 5.313 1.00 0.00 C ATOM 1113 O VAL A 76 -1.295 9.996 5.409 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.252 7.616 6.913 1.00 0.00 C ATOM 1115 CG1 VAL A 76 0.166 8.069 6.600 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -1.819 8.385 8.098 1.00 0.00 C ATOM 0 H VAL A 76 -0.693 6.690 4.641 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.155 7.394 5.915 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.218 6.560 7.181 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.790 7.951 7.486 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.570 7.464 5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.155 9.117 6.301 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.163 8.262 8.959 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.891 9.443 7.845 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.810 8.002 8.340 1.00 0.00 H new ATOM 1126 N SER A 77 -3.460 9.667 4.906 1.00 0.00 N ATOM 1127 CA SER A 77 -3.697 11.056 4.538 1.00 0.00 C ATOM 1128 C SER A 77 -4.924 11.606 5.256 1.00 0.00 C ATOM 1129 O SER A 77 -5.831 10.857 5.619 1.00 0.00 O ATOM 1130 CB SER A 77 -3.878 11.182 3.026 1.00 0.00 C ATOM 1131 OG SER A 77 -3.493 12.467 2.571 1.00 0.00 O ATOM 0 H SER A 77 -4.278 9.063 4.823 1.00 0.00 H new ATOM 0 HA SER A 77 -2.828 11.639 4.842 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.283 10.421 2.521 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.920 10.998 2.765 1.00 0.00 H new ATOM 0 HG SER A 77 -3.617 12.521 1.600 1.00 0.00 H new ATOM 1137 N ASP A 78 -4.945 12.922 5.456 1.00 0.00 N ATOM 1138 CA ASP A 78 -6.056 13.596 6.130 1.00 0.00 C ATOM 1139 C ASP A 78 -7.409 13.039 5.684 1.00 0.00 C ATOM 1140 O ASP A 78 -8.218 12.601 6.502 1.00 0.00 O ATOM 1141 CB ASP A 78 -6.006 15.097 5.830 1.00 0.00 C ATOM 1142 CG ASP A 78 -5.855 15.936 7.082 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -4.706 16.171 7.503 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -6.889 16.358 7.641 1.00 0.00 O ATOM 0 H ASP A 78 -4.198 13.549 5.158 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.951 13.420 7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.173 15.302 5.157 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.917 15.390 5.308 1.00 0.00 H new ATOM 1149 N ASP A 79 -7.641 13.082 4.380 1.00 0.00 N ATOM 1150 CA ASP A 79 -8.891 12.608 3.795 1.00 0.00 C ATOM 1151 C ASP A 79 -9.117 11.114 4.038 1.00 0.00 C ATOM 1152 O ASP A 79 -10.222 10.612 3.839 1.00 0.00 O ATOM 1153 CB ASP A 79 -8.903 12.891 2.293 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.276 14.327 1.980 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -8.512 15.237 2.367 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -10.333 14.543 1.350 1.00 0.00 O ATOM 0 H ASP A 79 -6.973 13.444 3.699 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.702 13.147 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.919 12.675 1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.610 12.220 1.805 1.00 0.00 H new ATOM 1161 N TYR A 80 -8.077 10.405 4.465 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.190 8.975 4.722 1.00 0.00 C ATOM 1163 C TYR A 80 -8.561 8.715 6.176 1.00 0.00 C ATOM 1164 O TYR A 80 -9.231 7.734 6.492 1.00 0.00 O ATOM 1165 CB TYR A 80 -6.877 8.269 4.385 1.00 0.00 C ATOM 1166 CG TYR A 80 -6.913 6.773 4.605 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -7.967 6.006 4.123 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -5.894 6.128 5.292 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -8.003 4.639 4.322 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -5.920 4.762 5.494 1.00 0.00 C ATOM 1171 CZ TYR A 80 -6.978 4.022 5.007 1.00 0.00 C ATOM 1172 OH TYR A 80 -7.010 2.661 5.207 1.00 0.00 O ATOM 0 H TYR A 80 -7.151 10.796 4.639 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.981 8.577 4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.626 8.467 3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.079 8.697 4.992 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -8.771 6.486 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.066 6.705 5.676 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.830 4.057 3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.118 4.276 6.030 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.213 2.385 5.706 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.116 9.602 7.058 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.392 9.475 8.475 1.00 0.00 C ATOM 1184 C LEU A 81 -9.780 10.003 8.813 1.00 0.00 C ATOM 1185 O LEU A 81 -10.459 9.475 9.693 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.334 10.231 9.270 1.00 0.00 C ATOM 1187 CG LEU A 81 -5.919 9.683 9.131 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -4.883 10.752 9.437 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -5.735 8.498 10.047 1.00 0.00 C ATOM 0 H LEU A 81 -7.560 10.420 6.810 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.362 8.418 8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.338 11.274 8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.612 10.217 10.324 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.776 9.364 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.883 10.331 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.003 11.584 8.743 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.019 11.108 10.458 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.721 8.111 9.942 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.901 8.807 11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.450 7.719 9.782 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.196 11.047 8.106 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.502 11.646 8.326 1.00 0.00 C ATOM 1203 C GLN A 82 -12.622 10.645 8.045 1.00 0.00 C ATOM 1204 O GLN A 82 -13.765 10.851 8.454 1.00 0.00 O ATOM 1205 CB GLN A 82 -11.663 12.879 7.438 1.00 0.00 C ATOM 1206 CG GLN A 82 -11.739 12.556 5.953 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.132 13.757 5.115 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -11.316 14.641 4.854 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -13.391 13.797 4.690 1.00 0.00 N ATOM 0 H GLN A 82 -9.645 11.495 7.374 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.571 11.943 9.372 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -12.567 13.412 7.732 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.825 13.553 7.612 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.772 12.183 5.616 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.462 11.755 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -14.034 13.043 4.930 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.714 14.582 4.124 1.00 0.00 H new ATOM 1218 N SER A 83 -12.290 9.565 7.342 1.00 0.00 N ATOM 1219 CA SER A 83 -13.272 8.542 7.007 1.00 0.00 C ATOM 1220 C SER A 83 -13.150 7.340 7.940 1.00 0.00 C ATOM 1221 O SER A 83 -12.071 7.051 8.458 1.00 0.00 O ATOM 1222 CB SER A 83 -13.099 8.093 5.555 1.00 0.00 C ATOM 1223 OG SER A 83 -13.922 8.850 4.686 1.00 0.00 O ATOM 0 H SER A 83 -11.350 9.377 6.995 1.00 0.00 H new ATOM 0 HA SER A 83 -14.264 8.976 7.131 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.056 8.202 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.347 7.035 5.466 1.00 0.00 H new ATOM 0 HG SER A 83 -13.792 8.545 3.764 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.265 6.646 8.149 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.288 5.478 9.014 1.00 0.00 C ATOM 1231 C LYS A 84 -13.625 4.280 8.342 1.00 0.00 C ATOM 1232 O LYS A 84 -13.229 3.325 9.009 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.732 5.140 9.379 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.458 6.266 10.098 1.00 0.00 C ATOM 1235 CD LYS A 84 -15.861 6.528 11.471 1.00 0.00 C ATOM 1236 CE LYS A 84 -15.737 8.016 11.750 1.00 0.00 C ATOM 1237 NZ LYS A 84 -17.022 8.604 12.218 1.00 0.00 N ATOM 0 H LYS A 84 -15.165 6.876 7.728 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.726 5.709 9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -16.278 4.889 8.470 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -15.740 4.252 10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.406 7.175 9.498 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.513 6.012 10.201 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -16.485 6.064 12.235 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.878 6.061 11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.967 8.181 12.504 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.412 8.529 10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.894 9.620 12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -17.751 8.470 11.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.320 8.133 13.096 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.503 4.335 7.017 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.882 3.254 6.262 1.00 0.00 C ATOM 1253 C GLU A 85 -11.473 2.982 6.776 1.00 0.00 C ATOM 1254 O GLU A 85 -11.006 1.843 6.773 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.840 3.601 4.772 1.00 0.00 C ATOM 1256 CG GLU A 85 -14.205 3.916 4.183 1.00 0.00 C ATOM 1257 CD GLU A 85 -14.300 3.566 2.711 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -14.050 2.392 2.364 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -14.624 4.464 1.906 1.00 0.00 O ATOM 0 H GLU A 85 -13.826 5.117 6.447 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.481 2.354 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.183 4.459 4.625 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.401 2.766 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.969 3.367 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.417 4.977 4.315 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.805 4.040 7.224 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.456 3.918 7.752 1.00 0.00 C ATOM 1268 C CYS A 86 -9.493 3.374 9.174 1.00 0.00 C ATOM 1269 O CYS A 86 -8.588 2.657 9.597 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.748 5.275 7.723 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.077 5.255 8.414 1.00 0.00 S ATOM 0 H CYS A 86 -11.178 4.989 7.231 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.899 3.221 7.125 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.698 5.624 6.692 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.349 5.997 8.275 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.208 5.335 7.450 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.551 3.713 9.906 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.704 3.247 11.277 1.00 0.00 C ATOM 1279 C ASP A 87 -10.766 1.727 11.314 1.00 0.00 C ATOM 1280 O ASP A 87 -10.234 1.095 12.227 1.00 0.00 O ATOM 1281 CB ASP A 87 -11.965 3.840 11.907 1.00 0.00 C ATOM 1282 CG ASP A 87 -11.794 4.118 13.388 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -11.683 3.146 14.165 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -11.771 5.306 13.771 1.00 0.00 O ATOM 0 H ASP A 87 -11.311 4.306 9.573 1.00 0.00 H new ATOM 0 HA ASP A 87 -9.839 3.578 11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.224 4.766 11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.798 3.152 11.763 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.403 1.146 10.304 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.517 -0.302 10.209 1.00 0.00 C ATOM 1291 C PHE A 88 -10.186 -0.892 9.762 1.00 0.00 C ATOM 1292 O PHE A 88 -9.723 -1.900 10.299 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.620 -0.689 9.224 1.00 0.00 C ATOM 1294 CG PHE A 88 -12.911 -2.162 9.195 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -13.746 -2.736 10.141 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -12.347 -2.974 8.224 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -14.013 -4.092 10.117 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -12.610 -4.330 8.196 1.00 0.00 C ATOM 1299 CZ PHE A 88 -13.445 -4.890 9.143 1.00 0.00 C ATOM 0 H PHE A 88 -11.848 1.656 9.541 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.776 -0.700 11.190 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.532 -0.152 9.484 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.333 -0.364 8.224 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -14.193 -2.117 10.905 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.694 -2.542 7.480 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.665 -4.527 10.859 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.163 -4.952 7.434 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.653 -5.949 9.122 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.569 -0.239 8.784 1.00 0.00 N ATOM 1310 CA GLN A 89 -8.281 -0.674 8.268 1.00 0.00 C ATOM 1311 C GLN A 89 -7.230 -0.610 9.367 1.00 0.00 C ATOM 1312 O GLN A 89 -6.330 -1.445 9.429 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.863 0.198 7.083 1.00 0.00 C ATOM 1314 CG GLN A 89 -6.998 -0.528 6.065 1.00 0.00 C ATOM 1315 CD GLN A 89 -5.622 -0.866 6.604 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -5.190 -2.018 6.558 1.00 0.00 O ATOM 1317 NE2 GLN A 89 -4.925 0.141 7.119 1.00 0.00 N ATOM 0 H GLN A 89 -9.943 0.596 8.333 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.369 -1.705 7.926 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.758 0.572 6.585 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.319 1.066 7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.499 -1.446 5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.893 0.092 5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.323 1.080 7.136 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.992 -0.025 7.497 1.00 0.00 H new ATOM 1326 N THR A 90 -7.364 0.384 10.240 1.00 0.00 N ATOM 1327 CA THR A 90 -6.440 0.560 11.351 1.00 0.00 C ATOM 1328 C THR A 90 -6.540 -0.599 12.319 1.00 0.00 C ATOM 1329 O THR A 90 -5.592 -1.354 12.471 1.00 0.00 O ATOM 1330 CB THR A 90 -6.724 1.876 12.074 1.00 0.00 C ATOM 1331 OG1 THR A 90 -6.721 2.961 11.163 1.00 0.00 O ATOM 1332 CG2 THR A 90 -5.719 2.188 13.157 1.00 0.00 C ATOM 0 H THR A 90 -8.107 1.081 10.197 1.00 0.00 H new ATOM 0 HA THR A 90 -5.426 0.589 10.951 1.00 0.00 H new ATOM 0 HB THR A 90 -7.705 1.748 12.532 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.641 3.163 10.892 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.977 3.135 13.631 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.730 1.394 13.903 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.723 2.261 12.719 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.684 -0.738 12.971 1.00 0.00 N ATOM 1341 CA LYS A 91 -7.877 -1.817 13.934 1.00 0.00 C ATOM 1342 C LYS A 91 -7.427 -3.157 13.367 1.00 0.00 C ATOM 1343 O LYS A 91 -7.005 -4.043 14.109 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.342 -1.891 14.371 1.00 0.00 C ATOM 1345 CG LYS A 91 -9.642 -1.090 15.628 1.00 0.00 C ATOM 1346 CD LYS A 91 -9.540 0.405 15.372 1.00 0.00 C ATOM 1347 CE LYS A 91 -9.202 1.167 16.642 1.00 0.00 C ATOM 1348 NZ LYS A 91 -8.663 2.524 16.350 1.00 0.00 N ATOM 0 H LYS A 91 -8.489 -0.123 12.854 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.260 -1.597 14.805 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.973 -1.529 13.560 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.610 -2.934 14.542 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.643 -1.332 15.985 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.945 -1.374 16.417 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.775 0.595 14.619 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.484 0.771 14.967 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.095 1.257 17.260 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.470 0.603 17.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.445 3.011 17.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.796 2.438 15.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.371 3.072 15.821 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.505 -3.295 12.052 1.00 0.00 N ATOM 1363 CA PHE A 92 -7.087 -4.527 11.402 1.00 0.00 C ATOM 1364 C PHE A 92 -5.621 -4.441 10.983 1.00 0.00 C ATOM 1365 O PHE A 92 -4.944 -5.460 10.844 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.971 -4.819 10.187 1.00 0.00 C ATOM 1367 CG PHE A 92 -8.475 -6.233 10.140 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -9.439 -6.669 11.033 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -7.984 -7.127 9.201 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -9.906 -7.970 10.992 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -8.446 -8.428 9.155 1.00 0.00 C ATOM 1372 CZ PHE A 92 -9.408 -8.850 10.050 1.00 0.00 C ATOM 0 H PHE A 92 -7.851 -2.575 11.418 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.196 -5.345 12.115 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.822 -4.138 10.195 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.406 -4.613 9.278 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.831 -5.985 11.771 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.232 -6.803 8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.658 -8.298 11.694 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.055 -9.115 8.419 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.771 -9.866 10.014 1.00 0.00 H new ATOM 1382 N ALA A 93 -5.139 -3.217 10.785 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.756 -2.995 10.385 1.00 0.00 C ATOM 1384 C ALA A 93 -2.849 -2.803 11.596 1.00 0.00 C ATOM 1385 O ALA A 93 -1.652 -3.087 11.538 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.660 -1.794 9.461 1.00 0.00 C ATOM 0 H ALA A 93 -5.688 -2.364 10.896 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.418 -3.883 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.621 -1.641 9.171 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.263 -1.971 8.571 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.027 -0.907 9.978 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.422 -2.319 12.692 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.668 -2.094 13.910 1.00 0.00 C ATOM 1394 C LEU A 94 -2.581 -3.378 14.708 1.00 0.00 C ATOM 1395 O LEU A 94 -1.519 -3.771 15.191 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.344 -1.003 14.735 1.00 0.00 C ATOM 1397 CG LEU A 94 -4.823 -1.217 15.070 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -4.981 -2.084 16.296 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -5.518 0.122 15.280 1.00 0.00 C ATOM 0 H LEU A 94 -4.410 -2.075 12.757 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.658 -1.773 13.656 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.795 -0.893 15.670 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.249 -0.060 14.197 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.289 -1.729 14.228 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.041 -2.220 16.511 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.520 -3.055 16.117 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.497 -1.604 17.146 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.568 -0.047 15.517 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.041 0.654 16.103 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.443 0.718 14.370 1.00 0.00 H new ATOM 1411 N SER A 95 -3.723 -4.022 14.823 1.00 0.00 N ATOM 1412 CA SER A 95 -3.836 -5.282 15.550 1.00 0.00 C ATOM 1413 C SER A 95 -4.069 -6.442 14.585 1.00 0.00 C ATOM 1414 O SER A 95 -5.038 -7.191 14.717 1.00 0.00 O ATOM 1415 CB SER A 95 -4.974 -5.216 16.572 1.00 0.00 C ATOM 1416 OG SER A 95 -4.629 -4.392 17.672 1.00 0.00 O ATOM 0 H SER A 95 -4.600 -3.694 14.419 1.00 0.00 H new ATOM 0 HA SER A 95 -2.899 -5.450 16.080 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.874 -4.830 16.093 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.207 -6.220 16.926 1.00 0.00 H new ATOM 0 HG SER A 95 -5.374 -4.366 18.308 1.00 0.00 H new ATOM 1422 N LEU A 96 -3.172 -6.583 13.616 1.00 0.00 N ATOM 1423 CA LEU A 96 -3.281 -7.655 12.627 1.00 0.00 C ATOM 1424 C LEU A 96 -2.709 -8.960 13.180 1.00 0.00 C ATOM 1425 O LEU A 96 -3.449 -9.832 13.633 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.572 -7.291 11.312 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.838 -5.947 11.291 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.500 -6.053 12.007 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.640 -5.479 9.860 1.00 0.00 C ATOM 0 H LEU A 96 -2.364 -5.973 13.492 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.341 -7.790 12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.854 -8.078 11.081 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.312 -7.290 10.512 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.448 -5.213 11.817 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.005 -5.087 11.980 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.664 -6.348 13.043 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.120 -6.800 11.511 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.117 -4.523 9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.050 -6.216 9.315 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.611 -5.362 9.378 1.00 0.00 H new ATOM 1441 N SER A 97 -1.387 -9.082 13.135 1.00 0.00 N ATOM 1442 CA SER A 97 -0.706 -10.274 13.627 1.00 0.00 C ATOM 1443 C SER A 97 0.460 -9.896 14.538 1.00 0.00 C ATOM 1444 O SER A 97 0.862 -8.735 14.596 1.00 0.00 O ATOM 1445 CB SER A 97 -0.203 -11.119 12.455 1.00 0.00 C ATOM 1446 OG SER A 97 -1.074 -12.208 12.200 1.00 0.00 O ATOM 0 H SER A 97 -0.763 -8.367 12.761 1.00 0.00 H new ATOM 0 HA SER A 97 -1.420 -10.859 14.206 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.122 -10.498 11.563 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.797 -11.493 12.675 1.00 0.00 H new ATOM 0 HG SER A 97 -0.731 -12.731 11.446 1.00 0.00 H new ATOM 1452 N PRO A 98 1.019 -10.878 15.267 1.00 0.00 N ATOM 1453 CA PRO A 98 2.140 -10.644 16.180 1.00 0.00 C ATOM 1454 C PRO A 98 3.473 -10.498 15.450 1.00 0.00 C ATOM 1455 O PRO A 98 4.287 -11.421 15.435 1.00 0.00 O ATOM 1456 CB PRO A 98 2.142 -11.900 17.048 1.00 0.00 C ATOM 1457 CG PRO A 98 1.606 -12.966 16.157 1.00 0.00 C ATOM 1458 CD PRO A 98 0.598 -12.293 15.261 1.00 0.00 C ATOM 0 HA PRO A 98 2.026 -9.715 16.738 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.146 -12.141 17.396 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.520 -11.772 17.934 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.404 -13.423 15.572 1.00 0.00 H new ATOM 0 HG3 PRO A 98 1.141 -13.762 16.738 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.613 -12.712 14.255 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.417 -12.411 15.640 1.00 0.00 H new ATOM 1466 N GLY A 99 3.694 -9.331 14.853 1.00 0.00 N ATOM 1467 CA GLY A 99 4.934 -9.088 14.137 1.00 0.00 C ATOM 1468 C GLY A 99 4.714 -8.770 12.672 1.00 0.00 C ATOM 1469 O GLY A 99 5.461 -9.231 11.809 1.00 0.00 O ATOM 0 H GLY A 99 3.038 -8.550 14.852 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.464 -8.260 14.608 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.575 -9.966 14.221 1.00 0.00 H new ATOM 1473 N ALA A 100 3.685 -7.978 12.391 1.00 0.00 N ATOM 1474 CA ALA A 100 3.368 -7.594 11.021 1.00 0.00 C ATOM 1475 C ALA A 100 2.684 -6.233 10.983 1.00 0.00 C ATOM 1476 O ALA A 100 1.773 -6.007 10.187 1.00 0.00 O ATOM 1477 CB ALA A 100 2.490 -8.649 10.367 1.00 0.00 C ATOM 0 H ALA A 100 3.056 -7.590 13.094 1.00 0.00 H new ATOM 0 HA ALA A 100 4.301 -7.520 10.462 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.261 -8.349 9.344 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.015 -9.604 10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.563 -8.751 10.931 1.00 0.00 H new ATOM 1483 N HIS A 101 3.126 -5.331 11.854 1.00 0.00 N ATOM 1484 CA HIS A 101 2.555 -3.990 11.924 1.00 0.00 C ATOM 1485 C HIS A 101 3.288 -3.033 10.990 1.00 0.00 C ATOM 1486 O HIS A 101 2.698 -2.088 10.466 1.00 0.00 O ATOM 1487 CB HIS A 101 2.604 -3.469 13.363 1.00 0.00 C ATOM 1488 CG HIS A 101 3.990 -3.186 13.858 1.00 0.00 C ATOM 1489 ND1 HIS A 101 4.876 -4.176 14.225 1.00 0.00 N ATOM 1490 CD2 HIS A 101 4.640 -2.013 14.046 1.00 0.00 C ATOM 1491 CE1 HIS A 101 6.011 -3.626 14.620 1.00 0.00 C ATOM 1492 NE2 HIS A 101 5.894 -2.315 14.521 1.00 0.00 N ATOM 0 H HIS A 101 3.878 -5.504 12.521 1.00 0.00 H new ATOM 0 HA HIS A 101 1.515 -4.046 11.603 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.011 -2.557 13.429 1.00 0.00 H new ATOM 0 HB3 HIS A 101 2.136 -4.202 14.021 1.00 0.00 H new ATOM 0 HD1 HIS A 101 4.685 -5.178 14.196 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.247 -1.025 13.858 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.885 -4.158 14.965 1.00 0.00 H new ATOM 1501 N GLN A 102 4.574 -3.284 10.781 1.00 0.00 N ATOM 1502 CA GLN A 102 5.385 -2.445 9.907 1.00 0.00 C ATOM 1503 C GLN A 102 6.391 -3.287 9.129 1.00 0.00 C ATOM 1504 O GLN A 102 7.478 -2.818 8.790 1.00 0.00 O ATOM 1505 CB GLN A 102 6.115 -1.375 10.722 1.00 0.00 C ATOM 1506 CG GLN A 102 7.181 -1.936 11.651 1.00 0.00 C ATOM 1507 CD GLN A 102 7.897 -0.856 12.438 1.00 0.00 C ATOM 1508 OE1 GLN A 102 7.948 0.301 12.020 1.00 0.00 O ATOM 1509 NE2 GLN A 102 8.454 -1.229 13.583 1.00 0.00 N ATOM 0 H GLN A 102 5.079 -4.062 11.205 1.00 0.00 H new ATOM 0 HA GLN A 102 4.721 -1.955 9.195 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.579 -0.664 10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.386 -0.820 11.313 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.720 -2.640 12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.909 -2.497 11.065 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.387 -2.199 13.891 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.949 -0.546 14.156 1.00 0.00 H new ATOM 1518 N LYS A 103 6.021 -4.533 8.854 1.00 0.00 N ATOM 1519 CA LYS A 103 6.891 -5.443 8.120 1.00 0.00 C ATOM 1520 C LYS A 103 6.337 -5.727 6.728 1.00 0.00 C ATOM 1521 O LYS A 103 7.093 -5.973 5.787 1.00 0.00 O ATOM 1522 CB LYS A 103 7.053 -6.754 8.893 1.00 0.00 C ATOM 1523 CG LYS A 103 8.259 -6.772 9.818 1.00 0.00 C ATOM 1524 CD LYS A 103 7.868 -6.456 11.255 1.00 0.00 C ATOM 1525 CE LYS A 103 8.369 -7.521 12.217 1.00 0.00 C ATOM 1526 NZ LYS A 103 8.910 -6.927 13.470 1.00 0.00 N ATOM 0 H LYS A 103 5.125 -4.935 9.128 1.00 0.00 H new ATOM 0 HA LYS A 103 7.865 -4.966 8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.153 -6.933 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.139 -7.576 8.183 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.735 -7.752 9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.994 -6.045 9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.277 -5.486 11.539 1.00 0.00 H new ATOM 0 HD3 LYS A 103 6.783 -6.379 11.329 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.554 -8.202 12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.145 -8.113 11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 9.241 -7.686 14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 9.704 -6.296 13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 8.163 -6.383 13.947 1.00 0.00 H new ATOM 1540 N ARG A 104 5.015 -5.695 6.603 1.00 0.00 N ATOM 1541 CA ARG A 104 4.364 -5.955 5.324 1.00 0.00 C ATOM 1542 C ARG A 104 3.603 -4.726 4.830 1.00 0.00 C ATOM 1543 O ARG A 104 3.540 -4.471 3.627 1.00 0.00 O ATOM 1544 CB ARG A 104 3.415 -7.149 5.446 1.00 0.00 C ATOM 1545 CG ARG A 104 2.427 -7.031 6.595 1.00 0.00 C ATOM 1546 CD ARG A 104 0.992 -7.201 6.120 1.00 0.00 C ATOM 1547 NE ARG A 104 0.759 -8.524 5.547 1.00 0.00 N ATOM 1548 CZ ARG A 104 -0.452 -9.019 5.292 1.00 0.00 C ATOM 1549 NH1 ARG A 104 -1.537 -8.303 5.557 1.00 0.00 N ATOM 1550 NH2 ARG A 104 -0.574 -10.233 4.773 1.00 0.00 N ATOM 0 H ARG A 104 4.374 -5.492 7.370 1.00 0.00 H new ATOM 0 HA ARG A 104 5.139 -6.188 4.594 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.862 -7.259 4.513 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.003 -8.057 5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.653 -7.785 7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 104 2.539 -6.058 7.074 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.312 -7.043 6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.764 -6.438 5.376 1.00 0.00 H new ATOM 0 HE ARG A 104 1.570 -9.103 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.447 -7.369 5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.462 -8.686 5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.258 -10.787 4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.500 -10.613 4.577 1.00 0.00 H new ATOM 1564 N LEU A 105 3.027 -3.968 5.759 1.00 0.00 N ATOM 1565 CA LEU A 105 2.275 -2.775 5.410 1.00 0.00 C ATOM 1566 C LEU A 105 3.126 -1.524 5.596 1.00 0.00 C ATOM 1567 O LEU A 105 3.898 -1.423 6.549 1.00 0.00 O ATOM 1568 CB LEU A 105 1.018 -2.683 6.271 1.00 0.00 C ATOM 1569 CG LEU A 105 1.243 -2.864 7.774 1.00 0.00 C ATOM 1570 CD1 LEU A 105 0.265 -2.008 8.565 1.00 0.00 C ATOM 1571 CD2 LEU A 105 1.108 -4.328 8.161 1.00 0.00 C ATOM 0 H LEU A 105 3.069 -4.162 6.759 1.00 0.00 H new ATOM 0 HA LEU A 105 1.989 -2.843 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.553 -1.712 6.104 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.309 -3.438 5.932 1.00 0.00 H new ATOM 0 HG LEU A 105 2.256 -2.539 8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.439 -2.149 9.632 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.410 -0.959 8.309 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.756 -2.303 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.271 -4.437 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.108 -4.680 7.908 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.848 -4.917 7.619 1.00 0.00 H new ATOM 1583 N ILE A 106 2.981 -0.570 4.680 1.00 0.00 N ATOM 1584 CA ILE A 106 3.742 0.672 4.755 1.00 0.00 C ATOM 1585 C ILE A 106 2.867 1.888 4.442 1.00 0.00 C ATOM 1586 O ILE A 106 2.249 1.961 3.380 1.00 0.00 O ATOM 1587 CB ILE A 106 4.946 0.664 3.789 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.571 -0.009 2.460 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.142 -0.022 4.435 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.750 -1.515 2.455 1.00 0.00 C ATOM 0 H ILE A 106 2.348 -0.633 3.883 1.00 0.00 H new ATOM 0 HA ILE A 106 4.106 0.744 5.780 1.00 0.00 H new ATOM 0 HB ILE A 106 5.225 1.695 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.531 0.223 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.179 0.421 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.982 -0.019 3.740 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.420 0.512 5.344 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.881 -1.051 4.684 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.464 -1.912 1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.794 -1.758 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.121 -1.959 3.227 1.00 0.00 H new ATOM 1602 N PRO A 107 2.803 2.859 5.376 1.00 0.00 N ATOM 1603 CA PRO A 107 2.004 4.080 5.202 1.00 0.00 C ATOM 1604 C PRO A 107 2.618 5.043 4.189 1.00 0.00 C ATOM 1605 O PRO A 107 3.838 5.108 4.036 1.00 0.00 O ATOM 1606 CB PRO A 107 2.014 4.705 6.599 1.00 0.00 C ATOM 1607 CG PRO A 107 3.286 4.230 7.206 1.00 0.00 C ATOM 1608 CD PRO A 107 3.496 2.839 6.675 1.00 0.00 C ATOM 0 HA PRO A 107 1.008 3.862 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.980 5.793 6.548 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.151 4.386 7.184 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.116 4.882 6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.224 4.228 8.294 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.555 2.608 6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.076 2.087 7.343 1.00 0.00 H new ATOM 1616 N ILE A 108 1.761 5.788 3.499 1.00 0.00 N ATOM 1617 CA ILE A 108 2.201 6.753 2.498 1.00 0.00 C ATOM 1618 C ILE A 108 1.215 7.920 2.411 1.00 0.00 C ATOM 1619 O ILE A 108 0.082 7.817 2.879 1.00 0.00 O ATOM 1620 CB ILE A 108 2.351 6.074 1.114 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.527 5.097 1.132 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.538 7.104 0.007 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.133 3.678 1.478 1.00 0.00 C ATOM 0 H ILE A 108 0.749 5.741 3.616 1.00 0.00 H new ATOM 0 HA ILE A 108 3.174 7.140 2.801 1.00 0.00 H new ATOM 0 HB ILE A 108 1.432 5.525 0.907 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.008 5.103 0.154 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.267 5.445 1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.640 6.594 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.672 7.766 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.436 7.690 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.019 3.043 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.679 3.658 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.417 3.310 0.743 1.00 0.00 H new ATOM 1635 N LYS A 109 1.646 9.029 1.817 1.00 0.00 N ATOM 1636 CA LYS A 109 0.779 10.197 1.684 1.00 0.00 C ATOM 1637 C LYS A 109 1.451 11.297 0.871 1.00 0.00 C ATOM 1638 O LYS A 109 2.677 11.369 0.793 1.00 0.00 O ATOM 1639 CB LYS A 109 0.394 10.729 3.066 1.00 0.00 C ATOM 1640 CG LYS A 109 1.557 11.331 3.839 1.00 0.00 C ATOM 1641 CD LYS A 109 2.028 10.408 4.950 1.00 0.00 C ATOM 1642 CE LYS A 109 3.322 10.901 5.575 1.00 0.00 C ATOM 1643 NZ LYS A 109 3.289 12.366 5.837 1.00 0.00 N ATOM 0 H LYS A 109 2.580 9.144 1.424 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.121 9.887 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.383 11.485 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.037 9.916 3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.383 11.531 3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.255 12.288 4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.257 10.337 5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.175 9.404 4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.499 10.369 6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.156 10.669 4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 4.130 12.640 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.282 12.880 4.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.432 12.603 6.377 1.00 0.00 H new ATOM 1657 N TYR A 110 0.635 12.161 0.276 1.00 0.00 N ATOM 1658 CA TYR A 110 1.142 13.268 -0.524 1.00 0.00 C ATOM 1659 C TYR A 110 1.806 14.315 0.365 1.00 0.00 C ATOM 1660 O TYR A 110 2.722 15.017 -0.061 1.00 0.00 O ATOM 1661 CB TYR A 110 0.006 13.907 -1.326 1.00 0.00 C ATOM 1662 CG TYR A 110 0.452 15.048 -2.213 1.00 0.00 C ATOM 1663 CD1 TYR A 110 0.526 16.345 -1.724 1.00 0.00 C ATOM 1664 CD2 TYR A 110 0.797 14.826 -3.540 1.00 0.00 C ATOM 1665 CE1 TYR A 110 0.933 17.391 -2.532 1.00 0.00 C ATOM 1666 CE2 TYR A 110 1.205 15.866 -4.355 1.00 0.00 C ATOM 1667 CZ TYR A 110 1.270 17.145 -3.846 1.00 0.00 C ATOM 1668 OH TYR A 110 1.676 18.184 -4.654 1.00 0.00 O ATOM 0 H TYR A 110 -0.382 12.115 0.334 1.00 0.00 H new ATOM 0 HA TYR A 110 1.888 12.876 -1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.465 13.142 -1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.754 14.272 -0.635 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.261 16.541 -0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.746 13.825 -3.942 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.987 18.394 -2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.471 15.677 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 110 1.878 17.842 -5.550 1.00 0.00 H new ATOM 1678 N LYS A 111 1.335 14.407 1.606 1.00 0.00 N ATOM 1679 CA LYS A 111 1.878 15.361 2.563 1.00 0.00 C ATOM 1680 C LYS A 111 1.350 15.076 3.967 1.00 0.00 C ATOM 1681 O LYS A 111 0.381 14.335 4.137 1.00 0.00 O ATOM 1682 CB LYS A 111 1.529 16.791 2.150 1.00 0.00 C ATOM 1683 CG LYS A 111 0.073 16.978 1.760 1.00 0.00 C ATOM 1684 CD LYS A 111 -0.749 17.521 2.918 1.00 0.00 C ATOM 1685 CE LYS A 111 -0.311 18.926 3.303 1.00 0.00 C ATOM 1686 NZ LYS A 111 -1.279 19.576 4.228 1.00 0.00 N ATOM 0 H LYS A 111 0.577 13.830 1.971 1.00 0.00 H new ATOM 0 HA LYS A 111 2.963 15.254 2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.764 17.465 2.974 1.00 0.00 H new ATOM 0 HB3 LYS A 111 2.161 17.081 1.310 1.00 0.00 H new ATOM 0 HG2 LYS A 111 0.007 17.662 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.342 16.025 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.804 17.530 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -0.649 16.859 3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 111 0.670 18.883 3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -0.205 19.532 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.820 20.380 4.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.101 19.916 3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.594 18.887 4.941 1.00 0.00 H new ATOM 1700 N ALA A 112 1.993 15.666 4.967 1.00 0.00 N ATOM 1701 CA ALA A 112 1.593 15.472 6.356 1.00 0.00 C ATOM 1702 C ALA A 112 0.147 15.901 6.588 1.00 0.00 C ATOM 1703 O ALA A 112 -0.333 16.859 5.982 1.00 0.00 O ATOM 1704 CB ALA A 112 2.527 16.235 7.283 1.00 0.00 C ATOM 0 H ALA A 112 2.795 16.284 4.842 1.00 0.00 H new ATOM 0 HA ALA A 112 1.662 14.407 6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.218 16.082 8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.546 15.872 7.152 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.487 17.298 7.046 1.00 0.00 H new ATOM 1710 N MET A 113 -0.539 15.184 7.474 1.00 0.00 N ATOM 1711 CA MET A 113 -1.928 15.483 7.799 1.00 0.00 C ATOM 1712 C MET A 113 -2.013 16.565 8.865 1.00 0.00 C ATOM 1713 O MET A 113 -1.328 16.505 9.886 1.00 0.00 O ATOM 1714 CB MET A 113 -2.639 14.220 8.283 1.00 0.00 C ATOM 1715 CG MET A 113 -2.561 13.064 7.300 1.00 0.00 C ATOM 1716 SD MET A 113 -1.256 11.889 7.711 1.00 0.00 S ATOM 1717 CE MET A 113 -1.678 11.487 9.404 1.00 0.00 C ATOM 0 H MET A 113 -0.152 14.388 7.981 1.00 0.00 H new ATOM 0 HA MET A 113 -2.419 15.847 6.896 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.203 13.909 9.232 1.00 0.00 H new ATOM 0 HB3 MET A 113 -3.686 14.453 8.474 1.00 0.00 H new ATOM 0 HG2 MET A 113 -3.519 12.544 7.279 1.00 0.00 H new ATOM 0 HG3 MET A 113 -2.389 13.456 6.297 1.00 0.00 H new ATOM 0 HE1 MET A 113 -0.933 11.913 10.076 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.659 11.898 9.642 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.699 10.404 9.526 1.00 0.00 H new ATOM 1727 N LYS A 114 -2.869 17.550 8.621 1.00 0.00 N ATOM 1728 CA LYS A 114 -3.058 18.646 9.560 1.00 0.00 C ATOM 1729 C LYS A 114 -3.790 18.172 10.814 1.00 0.00 C ATOM 1730 O LYS A 114 -3.927 18.923 11.780 1.00 0.00 O ATOM 1731 CB LYS A 114 -3.840 19.783 8.898 1.00 0.00 C ATOM 1732 CG LYS A 114 -2.951 20.840 8.261 1.00 0.00 C ATOM 1733 CD LYS A 114 -2.572 20.464 6.838 1.00 0.00 C ATOM 1734 CE LYS A 114 -3.598 20.970 5.835 1.00 0.00 C ATOM 1735 NZ LYS A 114 -3.122 22.184 5.117 1.00 0.00 N ATOM 0 H LYS A 114 -3.443 17.611 7.780 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.074 19.012 9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.498 19.365 8.136 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.478 20.257 9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.468 21.799 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.048 20.966 8.858 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.593 20.879 6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.487 19.380 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.817 20.184 5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.530 21.197 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.850 22.497 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.937 22.943 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.246 21.962 4.602 1.00 0.00 H new ATOM 1749 N LYS A 115 -4.255 16.921 10.800 1.00 0.00 N ATOM 1750 CA LYS A 115 -4.965 16.367 11.949 1.00 0.00 C ATOM 1751 C LYS A 115 -4.114 15.311 12.658 1.00 0.00 C ATOM 1752 O LYS A 115 -2.893 15.287 12.499 1.00 0.00 O ATOM 1753 CB LYS A 115 -6.338 15.813 11.544 1.00 0.00 C ATOM 1754 CG LYS A 115 -6.389 15.231 10.150 1.00 0.00 C ATOM 1755 CD LYS A 115 -5.911 13.797 10.142 1.00 0.00 C ATOM 1756 CE LYS A 115 -6.884 12.887 10.878 1.00 0.00 C ATOM 1757 NZ LYS A 115 -8.241 12.912 10.267 1.00 0.00 N ATOM 0 H LYS A 115 -4.153 16.280 10.013 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.143 17.176 12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.630 15.042 12.257 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.075 16.612 11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -7.409 15.280 9.769 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.770 15.828 9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.797 13.455 9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.928 13.736 10.609 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.502 11.866 10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.950 13.195 11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.803 12.118 10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.712 13.809 10.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.158 12.827 9.234 1.00 0.00 H new ATOM 1771 N GLU A 116 -4.747 14.460 13.463 1.00 0.00 N ATOM 1772 CA GLU A 116 -4.025 13.438 14.209 1.00 0.00 C ATOM 1773 C GLU A 116 -3.695 12.229 13.345 1.00 0.00 C ATOM 1774 O GLU A 116 -4.252 12.048 12.264 1.00 0.00 O ATOM 1775 CB GLU A 116 -4.843 12.997 15.424 1.00 0.00 C ATOM 1776 CG GLU A 116 -6.321 12.793 15.131 1.00 0.00 C ATOM 1777 CD GLU A 116 -7.013 11.947 16.182 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -6.705 10.739 16.267 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -7.862 12.491 16.918 1.00 0.00 O ATOM 0 H GLU A 116 -5.756 14.460 13.613 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.084 13.879 14.539 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.428 12.066 15.811 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.738 13.744 16.211 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.813 13.764 15.070 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.432 12.318 14.156 1.00 0.00 H new ATOM 1786 N PHE A 117 -2.785 11.401 13.848 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.369 10.194 13.147 1.00 0.00 C ATOM 1788 C PHE A 117 -2.889 8.955 13.868 1.00 0.00 C ATOM 1789 O PHE A 117 -3.019 8.944 15.092 1.00 0.00 O ATOM 1790 CB PHE A 117 -0.841 10.126 13.035 1.00 0.00 C ATOM 1791 CG PHE A 117 -0.111 10.874 14.116 1.00 0.00 C ATOM 1792 CD1 PHE A 117 0.027 10.327 15.382 1.00 0.00 C ATOM 1793 CD2 PHE A 117 0.437 12.121 13.866 1.00 0.00 C ATOM 1794 CE1 PHE A 117 0.699 11.012 16.378 1.00 0.00 C ATOM 1795 CE2 PHE A 117 1.110 12.810 14.858 1.00 0.00 C ATOM 1796 CZ PHE A 117 1.241 12.255 16.116 1.00 0.00 C ATOM 0 H PHE A 117 -2.320 11.546 14.744 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.791 10.226 12.142 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.532 9.081 13.059 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.541 10.525 12.066 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -0.395 9.355 15.593 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.337 12.561 12.885 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.800 10.575 17.360 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.533 13.782 14.649 1.00 0.00 H new ATOM 0 HZ PHE A 117 1.766 12.792 16.893 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.197 7.893 13.111 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.709 6.647 13.668 1.00 0.00 C ATOM 1808 C PRO A 118 -2.603 5.736 14.178 1.00 0.00 C ATOM 1809 O PRO A 118 -1.480 5.781 13.680 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.417 6.015 12.475 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.637 6.473 11.292 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.072 7.827 11.642 1.00 0.00 C ATOM 0 HA PRO A 118 -4.350 6.813 14.534 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.424 4.928 12.549 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.456 6.337 12.414 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.838 5.769 11.059 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.274 6.536 10.410 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.034 7.921 11.324 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.628 8.630 11.157 1.00 0.00 H new ATOM 1820 N SER A 119 -2.936 4.888 15.151 1.00 0.00 N ATOM 1821 CA SER A 119 -1.972 3.935 15.691 1.00 0.00 C ATOM 1822 C SER A 119 -1.674 2.927 14.600 1.00 0.00 C ATOM 1823 O SER A 119 -2.098 1.773 14.655 1.00 0.00 O ATOM 1824 CB SER A 119 -2.530 3.238 16.934 1.00 0.00 C ATOM 1825 OG SER A 119 -3.418 4.086 17.640 1.00 0.00 O ATOM 0 H SER A 119 -3.861 4.843 15.578 1.00 0.00 H new ATOM 0 HA SER A 119 -1.061 4.449 15.997 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.050 2.326 16.641 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.709 2.941 17.587 1.00 0.00 H new ATOM 0 HG SER A 119 -3.762 3.616 18.428 1.00 0.00 H new ATOM 1831 N ILE A 120 -0.997 3.413 13.574 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.687 2.625 12.406 1.00 0.00 C ATOM 1833 C ILE A 120 0.642 3.066 11.804 1.00 0.00 C ATOM 1834 O ILE A 120 1.495 2.244 11.470 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.829 2.817 11.383 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -3.011 1.920 11.742 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.369 2.564 9.960 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -2.737 0.452 11.537 1.00 0.00 C ATOM 0 H ILE A 120 -0.648 4.370 13.533 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.597 1.573 12.677 1.00 0.00 H new ATOM 0 HB ILE A 120 -2.147 3.859 11.432 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -3.281 2.089 12.784 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.872 2.208 11.139 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.205 2.711 9.276 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.568 3.258 9.708 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.004 1.541 9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -3.620 -0.125 11.812 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -2.496 0.270 10.490 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -1.896 0.148 12.161 1.00 0.00 H new ATOM 1850 N LEU A 121 0.801 4.377 11.680 1.00 0.00 N ATOM 1851 CA LEU A 121 2.017 4.959 11.128 1.00 0.00 C ATOM 1852 C LEU A 121 2.679 5.891 12.141 1.00 0.00 C ATOM 1853 O LEU A 121 3.330 6.867 11.767 1.00 0.00 O ATOM 1854 CB LEU A 121 1.713 5.716 9.826 1.00 0.00 C ATOM 1855 CG LEU A 121 0.495 6.656 9.845 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.802 5.878 9.662 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.448 7.479 11.126 1.00 0.00 C ATOM 0 H LEU A 121 0.097 5.062 11.957 1.00 0.00 H new ATOM 0 HA LEU A 121 2.709 4.147 10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.592 6.303 9.560 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.566 4.984 9.032 1.00 0.00 H new ATOM 0 HG LEU A 121 0.602 7.344 9.006 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.646 6.568 9.680 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.781 5.355 8.706 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.909 5.154 10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.424 8.132 11.107 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.383 6.811 11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.352 8.083 11.204 1.00 0.00 H new ATOM 1869 N ARG A 122 2.498 5.583 13.425 1.00 0.00 N ATOM 1870 CA ARG A 122 3.062 6.389 14.510 1.00 0.00 C ATOM 1871 C ARG A 122 4.474 6.876 14.191 1.00 0.00 C ATOM 1872 O ARG A 122 4.794 8.048 14.390 1.00 0.00 O ATOM 1873 CB ARG A 122 3.071 5.587 15.814 1.00 0.00 C ATOM 1874 CG ARG A 122 3.579 4.164 15.651 1.00 0.00 C ATOM 1875 CD ARG A 122 3.112 3.273 16.792 1.00 0.00 C ATOM 1876 NE ARG A 122 3.904 2.050 16.890 1.00 0.00 N ATOM 1877 CZ ARG A 122 3.494 0.947 17.514 1.00 0.00 C ATOM 1878 NH1 ARG A 122 2.304 0.912 18.099 1.00 0.00 N ATOM 1879 NH2 ARG A 122 4.277 -0.121 17.554 1.00 0.00 N ATOM 0 H ARG A 122 1.961 4.775 13.742 1.00 0.00 H new ATOM 0 HA ARG A 122 2.427 7.268 14.624 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.693 6.104 16.544 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.060 5.558 16.220 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.228 3.757 14.703 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.668 4.167 15.612 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.176 3.823 17.731 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.063 3.015 16.645 1.00 0.00 H new ATOM 0 HE ARG A 122 4.826 2.040 16.455 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.698 1.732 18.072 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.995 0.065 18.576 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.194 -0.098 17.107 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.963 -0.966 18.032 1.00 0.00 H new ATOM 1893 N PHE A 123 5.311 5.975 13.697 1.00 0.00 N ATOM 1894 CA PHE A 123 6.688 6.321 13.356 1.00 0.00 C ATOM 1895 C PHE A 123 7.335 5.231 12.510 1.00 0.00 C ATOM 1896 O PHE A 123 8.549 5.032 12.560 1.00 0.00 O ATOM 1897 CB PHE A 123 7.507 6.548 14.628 1.00 0.00 C ATOM 1898 CG PHE A 123 7.348 5.455 15.645 1.00 0.00 C ATOM 1899 CD1 PHE A 123 8.023 4.252 15.499 1.00 0.00 C ATOM 1900 CD2 PHE A 123 6.524 5.629 16.745 1.00 0.00 C ATOM 1901 CE1 PHE A 123 7.878 3.244 16.434 1.00 0.00 C ATOM 1902 CE2 PHE A 123 6.375 4.624 17.683 1.00 0.00 C ATOM 1903 CZ PHE A 123 7.053 3.431 17.526 1.00 0.00 C ATOM 0 H PHE A 123 5.064 5.001 13.523 1.00 0.00 H new ATOM 0 HA PHE A 123 6.669 7.241 12.772 1.00 0.00 H new ATOM 0 HB2 PHE A 123 8.560 6.635 14.362 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.212 7.497 15.076 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.668 4.101 14.646 1.00 0.00 H new ATOM 0 HD2 PHE A 123 5.992 6.560 16.871 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.409 2.312 16.311 1.00 0.00 H new ATOM 0 HE2 PHE A 123 5.730 4.772 18.536 1.00 0.00 H new ATOM 0 HZ PHE A 123 6.938 2.644 18.257 1.00 0.00 H new ATOM 1913 N ILE A 124 6.518 4.524 11.740 1.00 0.00 N ATOM 1914 CA ILE A 124 7.001 3.456 10.890 1.00 0.00 C ATOM 1915 C ILE A 124 7.449 3.991 9.530 1.00 0.00 C ATOM 1916 O ILE A 124 7.425 5.198 9.293 1.00 0.00 O ATOM 1917 CB ILE A 124 5.906 2.390 10.703 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.792 2.911 9.787 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.338 1.980 12.056 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.606 1.977 9.677 1.00 0.00 C ATOM 0 H ILE A 124 5.511 4.677 11.690 1.00 0.00 H new ATOM 0 HA ILE A 124 7.864 3.002 11.377 1.00 0.00 H new ATOM 0 HB ILE A 124 6.351 1.515 10.230 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.449 3.876 10.160 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.202 3.081 8.792 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.564 1.226 11.912 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.135 1.569 12.676 1.00 0.00 H new ATOM 0 HG23 ILE A 124 4.908 2.852 12.549 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.860 2.413 9.013 1.00 0.00 H new ATOM 0 HD12 ILE A 124 3.934 1.018 9.275 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.169 1.826 10.664 1.00 0.00 H new ATOM 1932 N THR A 125 7.854 3.089 8.640 1.00 0.00 N ATOM 1933 CA THR A 125 8.305 3.482 7.307 1.00 0.00 C ATOM 1934 C THR A 125 7.214 4.245 6.564 1.00 0.00 C ATOM 1935 O THR A 125 6.299 3.647 6.002 1.00 0.00 O ATOM 1936 CB THR A 125 8.712 2.250 6.498 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.753 1.543 7.146 1.00 0.00 O ATOM 1938 CG2 THR A 125 9.182 2.585 5.099 1.00 0.00 C ATOM 0 H THR A 125 7.879 2.085 8.816 1.00 0.00 H new ATOM 0 HA THR A 125 9.169 4.136 7.426 1.00 0.00 H new ATOM 0 HB THR A 125 7.811 1.641 6.426 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.997 0.758 6.612 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.456 1.668 4.578 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.380 3.085 4.556 1.00 0.00 H new ATOM 0 HG23 THR A 125 10.049 3.244 5.154 1.00 0.00 H new ATOM 1946 N VAL A 126 7.314 5.569 6.564 1.00 0.00 N ATOM 1947 CA VAL A 126 6.331 6.404 5.892 1.00 0.00 C ATOM 1948 C VAL A 126 6.932 7.110 4.679 1.00 0.00 C ATOM 1949 O VAL A 126 8.086 7.538 4.705 1.00 0.00 O ATOM 1950 CB VAL A 126 5.741 7.451 6.854 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.798 8.465 7.269 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.545 8.142 6.220 1.00 0.00 C ATOM 0 H VAL A 126 8.065 6.085 7.022 1.00 0.00 H new ATOM 0 HA VAL A 126 5.533 5.743 5.552 1.00 0.00 H new ATOM 0 HB VAL A 126 5.401 6.936 7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.356 9.194 7.948 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.618 7.951 7.771 1.00 0.00 H new ATOM 0 HG13 VAL A 126 7.178 8.977 6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.140 8.879 6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.857 8.641 5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.778 7.403 5.988 1.00 0.00 H new ATOM 1962 N CYS A 127 6.139 7.227 3.619 1.00 0.00 N ATOM 1963 CA CYS A 127 6.588 7.878 2.393 1.00 0.00 C ATOM 1964 C CYS A 127 5.874 9.211 2.189 1.00 0.00 C ATOM 1965 O CYS A 127 4.731 9.251 1.734 1.00 0.00 O ATOM 1966 CB CYS A 127 6.344 6.967 1.190 1.00 0.00 C ATOM 1967 SG CYS A 127 6.972 5.284 1.397 1.00 0.00 S ATOM 0 H CYS A 127 5.181 6.879 3.584 1.00 0.00 H new ATOM 0 HA CYS A 127 7.657 8.071 2.485 1.00 0.00 H new ATOM 0 HB2 CYS A 127 5.273 6.922 0.994 1.00 0.00 H new ATOM 0 HB3 CYS A 127 6.811 7.412 0.311 1.00 0.00 H new ATOM 0 HG CYS A 127 7.108 4.725 0.231 1.00 0.00 H new ATOM 1973 N ASP A 128 6.558 10.300 2.524 1.00 0.00 N ATOM 1974 CA ASP A 128 5.994 11.636 2.374 1.00 0.00 C ATOM 1975 C ASP A 128 6.726 12.408 1.281 1.00 0.00 C ATOM 1976 O ASP A 128 7.956 12.390 1.215 1.00 0.00 O ATOM 1977 CB ASP A 128 6.068 12.408 3.696 1.00 0.00 C ATOM 1978 CG ASP A 128 7.222 11.966 4.577 1.00 0.00 C ATOM 1979 OD1 ASP A 128 7.239 10.785 4.984 1.00 0.00 O ATOM 1980 OD2 ASP A 128 8.106 12.801 4.859 1.00 0.00 O ATOM 0 H ASP A 128 7.505 10.283 2.902 1.00 0.00 H new ATOM 0 HA ASP A 128 4.947 11.529 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.167 13.473 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 128 5.132 12.277 4.240 1.00 0.00 H new ATOM 1985 N TYR A 129 5.967 13.080 0.420 1.00 0.00 N ATOM 1986 CA TYR A 129 6.556 13.852 -0.668 1.00 0.00 C ATOM 1987 C TYR A 129 7.186 15.138 -0.151 1.00 0.00 C ATOM 1988 O TYR A 129 6.577 16.207 -0.207 1.00 0.00 O ATOM 1989 CB TYR A 129 5.504 14.178 -1.732 1.00 0.00 C ATOM 1990 CG TYR A 129 4.851 12.958 -2.350 1.00 0.00 C ATOM 1991 CD1 TYR A 129 5.475 11.714 -2.322 1.00 0.00 C ATOM 1992 CD2 TYR A 129 3.608 13.052 -2.964 1.00 0.00 C ATOM 1993 CE1 TYR A 129 4.879 10.603 -2.889 1.00 0.00 C ATOM 1994 CE2 TYR A 129 3.005 11.945 -3.531 1.00 0.00 C ATOM 1995 CZ TYR A 129 3.645 10.724 -3.490 1.00 0.00 C ATOM 1996 OH TYR A 129 3.049 9.619 -4.055 1.00 0.00 O ATOM 0 H TYR A 129 4.948 13.105 0.455 1.00 0.00 H new ATOM 0 HA TYR A 129 7.338 13.242 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.731 14.803 -1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.972 14.766 -2.522 1.00 0.00 H new ATOM 0 HD1 TYR A 129 6.441 11.615 -1.849 1.00 0.00 H new ATOM 0 HD2 TYR A 129 3.104 14.007 -2.999 1.00 0.00 H new ATOM 0 HE1 TYR A 129 5.378 9.646 -2.861 1.00 0.00 H new ATOM 0 HE2 TYR A 129 2.038 12.036 -4.003 1.00 0.00 H new ATOM 0 HH TYR A 129 2.102 9.807 -4.221 1.00 0.00 H new ATOM 2006 N THR A 130 8.415 15.030 0.341 1.00 0.00 N ATOM 2007 CA THR A 130 9.137 16.188 0.854 1.00 0.00 C ATOM 2008 C THR A 130 9.920 16.845 -0.272 1.00 0.00 C ATOM 2009 O THR A 130 11.028 16.421 -0.601 1.00 0.00 O ATOM 2010 CB THR A 130 10.083 15.774 1.983 1.00 0.00 C ATOM 2011 OG1 THR A 130 11.133 14.965 1.487 1.00 0.00 O ATOM 2012 CG2 THR A 130 9.393 15.004 3.089 1.00 0.00 C ATOM 0 H THR A 130 8.932 14.152 0.395 1.00 0.00 H new ATOM 0 HA THR A 130 8.417 16.902 1.254 1.00 0.00 H new ATOM 0 HB THR A 130 10.466 16.707 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.728 14.712 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.120 14.741 3.857 1.00 0.00 H new ATOM 0 HG22 THR A 130 8.609 15.621 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.953 14.095 2.679 1.00 0.00 H new ATOM 2020 N ASN A 131 9.329 17.868 -0.879 1.00 0.00 N ATOM 2021 CA ASN A 131 9.965 18.562 -1.991 1.00 0.00 C ATOM 2022 C ASN A 131 10.012 17.642 -3.207 1.00 0.00 C ATOM 2023 O ASN A 131 11.084 17.329 -3.725 1.00 0.00 O ATOM 2024 CB ASN A 131 11.379 19.014 -1.612 1.00 0.00 C ATOM 2025 CG ASN A 131 11.735 20.360 -2.209 1.00 0.00 C ATOM 2026 OD1 ASN A 131 10.857 21.141 -2.577 1.00 0.00 O ATOM 2027 ND2 ASN A 131 13.029 20.638 -2.312 1.00 0.00 N ATOM 0 H ASN A 131 8.413 18.234 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 131 9.380 19.449 -2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 131 11.461 19.068 -0.526 1.00 0.00 H new ATOM 0 HB3 ASN A 131 12.099 18.268 -1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 131 13.329 21.528 -2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 131 13.723 19.961 -1.994 1.00 0.00 H new ATOM 2034 N PRO A 132 8.833 17.187 -3.672 1.00 0.00 N ATOM 2035 CA PRO A 132 8.717 16.289 -4.824 1.00 0.00 C ATOM 2036 C PRO A 132 9.576 16.730 -6.002 1.00 0.00 C ATOM 2037 O PRO A 132 9.970 15.910 -6.833 1.00 0.00 O ATOM 2038 CB PRO A 132 7.224 16.346 -5.192 1.00 0.00 C ATOM 2039 CG PRO A 132 6.622 17.395 -4.314 1.00 0.00 C ATOM 2040 CD PRO A 132 7.515 17.504 -3.113 1.00 0.00 C ATOM 0 HA PRO A 132 9.067 15.285 -4.582 1.00 0.00 H new ATOM 0 HB2 PRO A 132 7.091 16.595 -6.245 1.00 0.00 H new ATOM 0 HB3 PRO A 132 6.745 15.380 -5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 132 6.556 18.349 -4.837 1.00 0.00 H new ATOM 0 HG3 PRO A 132 5.608 17.122 -4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 132 7.488 18.502 -2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 132 7.228 16.805 -2.328 1.00 0.00 H new ATOM 2048 N CYS A 133 9.868 18.024 -6.067 1.00 0.00 N ATOM 2049 CA CYS A 133 10.687 18.576 -7.145 1.00 0.00 C ATOM 2050 C CYS A 133 11.912 17.701 -7.397 1.00 0.00 C ATOM 2051 O CYS A 133 12.316 17.491 -8.541 1.00 0.00 O ATOM 2052 CB CYS A 133 11.122 20.002 -6.802 1.00 0.00 C ATOM 2053 SG CYS A 133 10.242 21.284 -7.726 1.00 0.00 S ATOM 0 H CYS A 133 9.550 18.713 -5.386 1.00 0.00 H new ATOM 0 HA CYS A 133 10.086 18.597 -8.054 1.00 0.00 H new ATOM 0 HB2 CYS A 133 10.972 20.170 -5.736 1.00 0.00 H new ATOM 0 HB3 CYS A 133 12.191 20.100 -6.993 1.00 0.00 H new ATOM 0 HG CYS A 133 10.677 22.455 -7.366 1.00 0.00 H new ATOM 2059 N THR A 134 12.491 17.185 -6.318 1.00 0.00 N ATOM 2060 CA THR A 134 13.665 16.323 -6.414 1.00 0.00 C ATOM 2061 C THR A 134 13.393 14.955 -5.792 1.00 0.00 C ATOM 2062 O THR A 134 14.090 13.983 -6.084 1.00 0.00 O ATOM 2063 CB THR A 134 14.865 16.979 -5.732 1.00 0.00 C ATOM 2064 OG1 THR A 134 16.030 16.190 -5.898 1.00 0.00 O ATOM 2065 CG2 THR A 134 14.666 17.196 -4.248 1.00 0.00 C ATOM 0 H THR A 134 12.166 17.349 -5.365 1.00 0.00 H new ATOM 0 HA THR A 134 13.892 16.180 -7.471 1.00 0.00 H new ATOM 0 HB THR A 134 14.974 17.951 -6.213 1.00 0.00 H new ATOM 0 HG1 THR A 134 16.787 16.628 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 134 15.555 17.665 -3.826 1.00 0.00 H new ATOM 0 HG22 THR A 134 13.804 17.843 -4.087 1.00 0.00 H new ATOM 0 HG23 THR A 134 14.496 16.237 -3.760 1.00 0.00 H new ATOM 2073 N LYS A 135 12.375 14.881 -4.941 1.00 0.00 N ATOM 2074 CA LYS A 135 12.008 13.630 -4.288 1.00 0.00 C ATOM 2075 C LYS A 135 11.128 12.776 -5.202 1.00 0.00 C ATOM 2076 O LYS A 135 10.777 11.646 -4.860 1.00 0.00 O ATOM 2077 CB LYS A 135 11.281 13.909 -2.972 1.00 0.00 C ATOM 2078 CG LYS A 135 11.622 12.921 -1.868 1.00 0.00 C ATOM 2079 CD LYS A 135 12.538 13.543 -0.826 1.00 0.00 C ATOM 2080 CE LYS A 135 13.911 13.856 -1.401 1.00 0.00 C ATOM 2081 NZ LYS A 135 14.092 15.314 -1.644 1.00 0.00 N ATOM 0 H LYS A 135 11.788 15.675 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 135 12.924 13.078 -4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.528 14.916 -2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 135 10.206 13.887 -3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 135 10.705 12.578 -1.389 1.00 0.00 H new ATOM 0 HG3 LYS A 135 12.103 12.044 -2.300 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.086 14.458 -0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 135 12.643 12.862 0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 135 14.681 13.504 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 135 14.045 13.313 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 15.052 15.489 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 13.395 15.638 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 13.956 15.834 -0.754 1.00 0.00 H new ATOM 2095 N SER A 136 10.765 13.327 -6.361 1.00 0.00 N ATOM 2096 CA SER A 136 9.916 12.622 -7.321 1.00 0.00 C ATOM 2097 C SER A 136 10.400 11.192 -7.564 1.00 0.00 C ATOM 2098 O SER A 136 9.616 10.323 -7.948 1.00 0.00 O ATOM 2099 CB SER A 136 9.870 13.386 -8.645 1.00 0.00 C ATOM 2100 OG SER A 136 11.096 13.268 -9.346 1.00 0.00 O ATOM 0 H SER A 136 11.047 14.261 -6.658 1.00 0.00 H new ATOM 0 HA SER A 136 8.914 12.568 -6.895 1.00 0.00 H new ATOM 0 HB2 SER A 136 9.057 13.003 -9.261 1.00 0.00 H new ATOM 0 HB3 SER A 136 9.657 14.438 -8.454 1.00 0.00 H new ATOM 0 HG SER A 136 11.040 13.764 -10.189 1.00 0.00 H new ATOM 2106 N TRP A 137 11.689 10.953 -7.339 1.00 0.00 N ATOM 2107 CA TRP A 137 12.263 9.623 -7.537 1.00 0.00 C ATOM 2108 C TRP A 137 11.750 8.630 -6.491 1.00 0.00 C ATOM 2109 O TRP A 137 12.030 7.435 -6.576 1.00 0.00 O ATOM 2110 CB TRP A 137 13.791 9.687 -7.487 1.00 0.00 C ATOM 2111 CG TRP A 137 14.383 10.618 -8.502 1.00 0.00 C ATOM 2112 CD1 TRP A 137 14.333 11.983 -8.493 1.00 0.00 C ATOM 2113 CD2 TRP A 137 15.115 10.251 -9.678 1.00 0.00 C ATOM 2114 NE1 TRP A 137 14.990 12.485 -9.588 1.00 0.00 N ATOM 2115 CE2 TRP A 137 15.477 11.443 -10.331 1.00 0.00 C ATOM 2116 CE3 TRP A 137 15.499 9.031 -10.240 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 16.207 11.450 -11.519 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 16.221 9.038 -11.418 1.00 0.00 C ATOM 2119 CH2 TRP A 137 16.568 10.241 -12.046 1.00 0.00 C ATOM 0 H TRP A 137 12.354 11.658 -7.021 1.00 0.00 H new ATOM 0 HA TRP A 137 11.950 9.273 -8.521 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.101 10.003 -6.491 1.00 0.00 H new ATOM 0 HB3 TRP A 137 14.194 8.687 -7.644 1.00 0.00 H new ATOM 0 HD1 TRP A 137 13.847 12.580 -7.735 1.00 0.00 H new ATOM 0 HE1 TRP A 137 15.098 13.474 -9.812 1.00 0.00 H new ATOM 0 HE3 TRP A 137 15.236 8.099 -9.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 16.477 12.376 -12.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 16.523 8.101 -11.862 1.00 0.00 H new ATOM 0 HH2 TRP A 137 17.133 10.213 -12.966 1.00 0.00 H new ATOM 2130 N PHE A 138 11.002 9.128 -5.504 1.00 0.00 N ATOM 2131 CA PHE A 138 10.455 8.279 -4.447 1.00 0.00 C ATOM 2132 C PHE A 138 9.830 7.010 -5.023 1.00 0.00 C ATOM 2133 O PHE A 138 9.798 5.970 -4.365 1.00 0.00 O ATOM 2134 CB PHE A 138 9.415 9.052 -3.633 1.00 0.00 C ATOM 2135 CG PHE A 138 9.788 9.217 -2.187 1.00 0.00 C ATOM 2136 CD1 PHE A 138 11.072 9.593 -1.826 1.00 0.00 C ATOM 2137 CD2 PHE A 138 8.852 9.000 -1.188 1.00 0.00 C ATOM 2138 CE1 PHE A 138 11.417 9.748 -0.498 1.00 0.00 C ATOM 2139 CE2 PHE A 138 9.192 9.153 0.143 1.00 0.00 C ATOM 2140 CZ PHE A 138 10.476 9.526 0.488 1.00 0.00 C ATOM 0 H PHE A 138 10.762 10.115 -5.416 1.00 0.00 H new ATOM 0 HA PHE A 138 11.277 7.986 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 138 9.275 10.037 -4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 138 8.458 8.535 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 138 11.812 9.767 -2.593 1.00 0.00 H new ATOM 0 HD2 PHE A 138 7.846 8.708 -1.452 1.00 0.00 H new ATOM 0 HE1 PHE A 138 12.421 10.042 -0.231 1.00 0.00 H new ATOM 0 HE2 PHE A 138 8.454 8.981 0.913 1.00 0.00 H new ATOM 0 HZ PHE A 138 10.744 9.644 1.528 1.00 0.00 H new ATOM 2150 N TRP A 139 9.338 7.100 -6.256 1.00 0.00 N ATOM 2151 CA TRP A 139 8.719 5.957 -6.920 1.00 0.00 C ATOM 2152 C TRP A 139 9.603 4.716 -6.801 1.00 0.00 C ATOM 2153 O TRP A 139 9.110 3.588 -6.788 1.00 0.00 O ATOM 2154 CB TRP A 139 8.465 6.273 -8.395 1.00 0.00 C ATOM 2155 CG TRP A 139 7.180 7.006 -8.638 1.00 0.00 C ATOM 2156 CD1 TRP A 139 6.089 7.049 -7.816 1.00 0.00 C ATOM 2157 CD2 TRP A 139 6.851 7.803 -9.781 1.00 0.00 C ATOM 2158 NE1 TRP A 139 5.104 7.823 -8.380 1.00 0.00 N ATOM 2159 CE2 TRP A 139 5.548 8.296 -9.587 1.00 0.00 C ATOM 2160 CE3 TRP A 139 7.532 8.145 -10.952 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 4.914 9.115 -10.518 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 6.903 8.959 -11.877 1.00 0.00 C ATOM 2163 CH2 TRP A 139 5.604 9.435 -11.655 1.00 0.00 C ATOM 0 H TRP A 139 9.356 7.953 -6.815 1.00 0.00 H new ATOM 0 HA TRP A 139 7.767 5.755 -6.429 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.293 6.870 -8.778 1.00 0.00 H new ATOM 0 HB3 TRP A 139 8.455 5.342 -8.961 1.00 0.00 H new ATOM 0 HD1 TRP A 139 6.012 6.548 -6.862 1.00 0.00 H new ATOM 0 HE1 TRP A 139 4.191 8.014 -7.968 1.00 0.00 H new ATOM 0 HE3 TRP A 139 8.532 7.780 -11.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 3.913 9.484 -10.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 7.421 9.232 -12.784 1.00 0.00 H new ATOM 0 HH2 TRP A 139 5.138 10.067 -12.396 1.00 0.00 H new ATOM 2174 N THR A 140 10.910 4.939 -6.713 1.00 0.00 N ATOM 2175 CA THR A 140 11.867 3.845 -6.591 1.00 0.00 C ATOM 2176 C THR A 140 11.901 3.317 -5.160 1.00 0.00 C ATOM 2177 O THR A 140 12.108 2.125 -4.933 1.00 0.00 O ATOM 2178 CB THR A 140 13.261 4.319 -7.009 1.00 0.00 C ATOM 2179 OG1 THR A 140 13.257 4.761 -8.355 1.00 0.00 O ATOM 2180 CG2 THR A 140 14.324 3.249 -6.882 1.00 0.00 C ATOM 0 H THR A 140 11.331 5.868 -6.724 1.00 0.00 H new ATOM 0 HA THR A 140 11.553 3.036 -7.250 1.00 0.00 H new ATOM 0 HB THR A 140 13.505 5.132 -6.325 1.00 0.00 H new ATOM 0 HG1 THR A 140 14.156 5.062 -8.603 1.00 0.00 H new ATOM 0 HG21 THR A 140 15.287 3.654 -7.195 1.00 0.00 H new ATOM 0 HG22 THR A 140 14.388 2.921 -5.844 1.00 0.00 H new ATOM 0 HG23 THR A 140 14.064 2.401 -7.515 1.00 0.00 H new ATOM 2188 N ARG A 141 11.695 4.211 -4.199 1.00 0.00 N ATOM 2189 CA ARG A 141 11.700 3.835 -2.790 1.00 0.00 C ATOM 2190 C ARG A 141 10.613 2.803 -2.503 1.00 0.00 C ATOM 2191 O ARG A 141 10.870 1.773 -1.880 1.00 0.00 O ATOM 2192 CB ARG A 141 11.494 5.069 -1.909 1.00 0.00 C ATOM 2193 CG ARG A 141 12.788 5.646 -1.357 1.00 0.00 C ATOM 2194 CD ARG A 141 13.255 4.893 -0.120 1.00 0.00 C ATOM 2195 NE ARG A 141 13.444 5.785 1.023 1.00 0.00 N ATOM 2196 CZ ARG A 141 12.459 6.184 1.825 1.00 0.00 C ATOM 2197 NH1 ARG A 141 11.213 5.776 1.615 1.00 0.00 N ATOM 2198 NH2 ARG A 141 12.720 6.996 2.841 1.00 0.00 N ATOM 0 H ARG A 141 11.522 5.202 -4.370 1.00 0.00 H new ATOM 0 HA ARG A 141 12.669 3.393 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 141 10.981 5.837 -2.488 1.00 0.00 H new ATOM 0 HB3 ARG A 141 10.839 4.807 -1.078 1.00 0.00 H new ATOM 0 HG2 ARG A 141 13.562 5.603 -2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 141 12.642 6.697 -1.110 1.00 0.00 H new ATOM 0 HD2 ARG A 141 12.524 4.126 0.135 1.00 0.00 H new ATOM 0 HD3 ARG A 141 14.192 4.380 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 141 14.387 6.122 1.218 1.00 0.00 H new ATOM 0 HH11 ARG A 141 11.005 5.153 0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 141 10.464 6.086 2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 141 13.675 7.314 3.007 1.00 0.00 H new ATOM 0 HH22 ARG A 141 11.966 7.302 3.456 1.00 0.00 H new ATOM 2212 N LEU A 142 9.400 3.085 -2.967 1.00 0.00 N ATOM 2213 CA LEU A 142 8.275 2.179 -2.764 1.00 0.00 C ATOM 2214 C LEU A 142 8.344 1.005 -3.734 1.00 0.00 C ATOM 2215 O LEU A 142 8.002 -0.124 -3.384 1.00 0.00 O ATOM 2216 CB LEU A 142 6.952 2.925 -2.939 1.00 0.00 C ATOM 2217 CG LEU A 142 5.716 2.183 -2.422 1.00 0.00 C ATOM 2218 CD1 LEU A 142 5.829 1.938 -0.925 1.00 0.00 C ATOM 2219 CD2 LEU A 142 4.452 2.964 -2.744 1.00 0.00 C ATOM 0 H LEU A 142 9.171 3.933 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 142 8.331 1.792 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.022 3.884 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.811 3.140 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 142 5.658 1.217 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.942 1.410 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 142 6.714 1.336 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 142 5.912 2.893 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.584 2.422 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 142 4.500 3.945 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 142 4.365 3.086 -3.824 1.00 0.00 H new ATOM 2231 N ALA A 143 8.791 1.281 -4.953 1.00 0.00 N ATOM 2232 CA ALA A 143 8.908 0.251 -5.977 1.00 0.00 C ATOM 2233 C ALA A 143 9.939 -0.799 -5.578 1.00 0.00 C ATOM 2234 O ALA A 143 9.810 -1.975 -5.920 1.00 0.00 O ATOM 2235 CB ALA A 143 9.274 0.874 -7.315 1.00 0.00 C ATOM 0 H ALA A 143 9.079 2.211 -5.257 1.00 0.00 H new ATOM 0 HA ALA A 143 7.941 -0.243 -6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 143 9.358 0.092 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.500 1.582 -7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 143 10.227 1.395 -7.225 1.00 0.00 H new ATOM 2241 N LYS A 144 10.963 -0.365 -4.851 1.00 0.00 N ATOM 2242 CA LYS A 144 12.020 -1.262 -4.399 1.00 0.00 C ATOM 2243 C LYS A 144 11.727 -1.793 -2.997 1.00 0.00 C ATOM 2244 O LYS A 144 12.256 -2.829 -2.592 1.00 0.00 O ATOM 2245 CB LYS A 144 13.367 -0.537 -4.415 1.00 0.00 C ATOM 2246 CG LYS A 144 14.530 -1.399 -3.945 1.00 0.00 C ATOM 2247 CD LYS A 144 15.243 -0.778 -2.753 1.00 0.00 C ATOM 2248 CE LYS A 144 15.553 -1.814 -1.686 1.00 0.00 C ATOM 2249 NZ LYS A 144 16.942 -1.677 -1.166 1.00 0.00 N ATOM 0 H LYS A 144 11.083 0.606 -4.561 1.00 0.00 H new ATOM 0 HA LYS A 144 12.061 -2.110 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 144 13.570 -0.188 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.302 0.347 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 144 14.163 -2.389 -3.675 1.00 0.00 H new ATOM 0 HG3 LYS A 144 15.238 -1.533 -4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 144 16.169 -0.309 -3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 144 14.622 0.010 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 144 14.845 -1.711 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 144 15.417 -2.813 -2.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 17.114 -2.402 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 17.619 -1.801 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 17.065 -0.733 -0.748 1.00 0.00 H new ATOM 2263 N ALA A 145 10.882 -1.079 -2.259 1.00 0.00 N ATOM 2264 CA ALA A 145 10.522 -1.479 -0.904 1.00 0.00 C ATOM 2265 C ALA A 145 9.401 -2.516 -0.913 1.00 0.00 C ATOM 2266 O ALA A 145 9.174 -3.203 0.083 1.00 0.00 O ATOM 2267 CB ALA A 145 10.109 -0.265 -0.088 1.00 0.00 C ATOM 0 H ALA A 145 10.434 -0.220 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 145 11.399 -1.934 -0.444 1.00 0.00 H new ATOM 0 HB1 ALA A 145 9.843 -0.579 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 145 10.938 0.442 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.250 0.214 -0.558 1.00 0.00 H new ATOM 2273 N LEU A 146 8.701 -2.620 -2.038 1.00 0.00 N ATOM 2274 CA LEU A 146 7.604 -3.567 -2.169 1.00 0.00 C ATOM 2275 C LEU A 146 8.058 -4.859 -2.848 1.00 0.00 C ATOM 2276 O LEU A 146 7.260 -5.771 -3.057 1.00 0.00 O ATOM 2277 CB LEU A 146 6.464 -2.935 -2.967 1.00 0.00 C ATOM 2278 CG LEU A 146 5.554 -1.999 -2.171 1.00 0.00 C ATOM 2279 CD1 LEU A 146 4.644 -1.217 -3.105 1.00 0.00 C ATOM 2280 CD2 LEU A 146 4.735 -2.786 -1.160 1.00 0.00 C ATOM 0 H LEU A 146 8.876 -2.059 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 146 7.255 -3.817 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.891 -2.378 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 146 5.855 -3.732 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 146 6.179 -1.289 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 146 4.004 -0.556 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 146 5.249 -0.623 -3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 146 4.026 -1.910 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 146 4.093 -2.104 -0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 146 4.120 -3.519 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 146 5.405 -3.300 -0.470 1.00 0.00 H new ATOM 2292 N SER A 147 9.343 -4.934 -3.193 1.00 0.00 N ATOM 2293 CA SER A 147 9.884 -6.119 -3.847 1.00 0.00 C ATOM 2294 C SER A 147 11.361 -6.308 -3.513 1.00 0.00 C ATOM 2295 O SER A 147 12.145 -6.745 -4.354 1.00 0.00 O ATOM 2296 CB SER A 147 9.703 -6.016 -5.363 1.00 0.00 C ATOM 2297 OG SER A 147 9.774 -4.669 -5.796 1.00 0.00 O ATOM 0 H SER A 147 10.023 -4.191 -3.031 1.00 0.00 H new ATOM 0 HA SER A 147 9.336 -6.985 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 147 10.472 -6.603 -5.865 1.00 0.00 H new ATOM 0 HB3 SER A 147 8.741 -6.442 -5.647 1.00 0.00 H new ATOM 0 HG SER A 147 9.657 -4.631 -6.768 1.00 0.00 H new