USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 607 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 83 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0) USER MOD Set 1.2: A 86 SER OG : rot -160:sc= 1.01 USER MOD Set 2.1: A 74 CYS SG : rot 148:sc= 1.81 USER MOD Set 2.2: A 77 CYS SG : rot -38:sc= 0.212 USER MOD Set 2.3: A 90 HIS : no HE2:sc= 0.16 K(o=1.3,f=0.19) USER MOD Set 2.4: A 95 HIS : no HE2:sc= -0.901 X(o=1.3,f=1.5) USER MOD Set 3.1: A 44 CYS SG : rot -178:sc= -4.05! USER MOD Set 3.2: A 47 CYS SG : rot -59:sc= -0.352! USER MOD Set 3.3: A 60 HIS : no HE2:sc= 0.0512 K(o=-4.8,f=-5.5) USER MOD Set 3.4: A 64 HIS : no HE2:sc= -0.458 X(o=-4.8,f=-4.5) USER MOD Set 4.1: A 16 CYS SG : rot -120:sc= 0.229 USER MOD Set 4.2: A 19 CYS SG : rot 180:sc= 0.221 USER MOD Set 4.3: A 32 HIS : no HE2:sc= -0.0347 X(o=-0.74,f=-1) USER MOD Set 4.4: A 36 HIS : no HD1:sc= -1.16 K(o=-0.74,f=-0.12) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.78 K(o=-0.78,f=-1.7) USER MOD Single : A 34 MET CE :methyl 180:sc= -0.12 (180deg=-0.12) USER MOD Single : A 37 THR OG1 : rot -134:sc= 0.487 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00382 USER MOD Single : A 51 CYS SG : rot 126:sc= -3.71! USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 54 LYS NZ :NH3+ 138:sc= -0.418 (180deg=-2.37!) USER MOD Single : A 56 SER OG : rot 180:sc=-0.00665 USER MOD Single : A 58 ASN : amide:sc= -0.0421 X(o=-0.042,f=-0.014) USER MOD Single : A 61 MET CE :methyl 151:sc= 0 (180deg=-0.354) USER MOD Single : A 62 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0764) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.573 K(o=-0.57,f=-4.8!) USER MOD Single : A 79 LYS NZ :NH3+ -168:sc= -0.0211 (180deg=-0.184) USER MOD Single : A 80 LYS NZ :NH3+ -140:sc= 0.264 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00527) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 12 14.017 -12.167 15.738 1.00 0.00 N ATOM 37 CA ARG A 12 13.043 -12.616 14.711 1.00 0.00 C ATOM 38 C ARG A 12 12.536 -11.398 13.901 1.00 0.00 C ATOM 39 O ARG A 12 11.564 -11.469 13.147 1.00 0.00 O ATOM 40 CB ARG A 12 11.864 -13.349 15.428 1.00 0.00 C ATOM 41 CG ARG A 12 10.878 -14.127 14.517 1.00 0.00 C ATOM 42 CD ARG A 12 9.589 -14.553 15.253 1.00 0.00 C ATOM 43 NE ARG A 12 9.869 -15.300 16.495 1.00 0.00 N ATOM 44 CZ ARG A 12 9.131 -15.252 17.619 1.00 0.00 C ATOM 45 NH1 ARG A 12 8.011 -14.538 17.676 1.00 0.00 N ATOM 46 NH2 ARG A 12 9.521 -15.941 18.675 1.00 0.00 N ATOM 0 HA ARG A 12 13.517 -13.306 14.013 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.285 -14.048 16.150 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.296 -12.610 15.993 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.613 -13.505 13.662 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.376 -15.013 14.124 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.000 -13.667 15.490 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.983 -15.170 14.590 1.00 0.00 H new ATOM 0 HE ARG A 12 10.691 -15.903 16.502 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.698 -14.014 16.859 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.465 -14.514 18.537 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.373 -16.501 18.633 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.971 -15.914 19.534 1.00 0.00 H new ATOM 60 N ASP A 13 13.277 -10.296 14.017 1.00 0.00 N ATOM 61 CA ASP A 13 12.870 -8.971 13.566 1.00 0.00 C ATOM 62 C ASP A 13 14.046 -8.333 12.819 1.00 0.00 C ATOM 63 O ASP A 13 14.967 -7.772 13.421 1.00 0.00 O ATOM 64 CB ASP A 13 12.431 -8.086 14.756 1.00 0.00 C ATOM 65 CG ASP A 13 11.105 -8.529 15.404 1.00 0.00 C ATOM 66 OD1 ASP A 13 11.113 -9.458 16.247 1.00 0.00 O ATOM 67 OD2 ASP A 13 10.045 -7.952 15.085 1.00 0.00 O ATOM 0 H ASP A 13 14.205 -10.304 14.441 1.00 0.00 H new ATOM 0 HA ASP A 13 12.011 -9.061 12.900 1.00 0.00 H new ATOM 0 HB2 ASP A 13 13.215 -8.096 15.513 1.00 0.00 H new ATOM 0 HB3 ASP A 13 12.331 -7.056 14.413 1.00 0.00 H new ATOM 72 N TYR A 14 14.019 -8.518 11.509 1.00 0.00 N ATOM 73 CA TYR A 14 14.990 -7.970 10.557 1.00 0.00 C ATOM 74 C TYR A 14 14.669 -6.501 10.271 1.00 0.00 C ATOM 75 O TYR A 14 13.624 -6.188 9.689 1.00 0.00 O ATOM 76 CB TYR A 14 14.946 -8.787 9.252 1.00 0.00 C ATOM 77 CG TYR A 14 15.424 -10.244 9.410 1.00 0.00 C ATOM 78 CD1 TYR A 14 14.586 -11.231 9.943 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.708 -10.632 9.019 1.00 0.00 C ATOM 80 CE1 TYR A 14 15.014 -12.543 10.073 1.00 0.00 C ATOM 81 CE2 TYR A 14 17.135 -11.942 9.141 1.00 0.00 C ATOM 82 CZ TYR A 14 16.289 -12.892 9.665 1.00 0.00 C ATOM 83 OH TYR A 14 16.722 -14.199 9.775 1.00 0.00 O ATOM 0 H TYR A 14 13.295 -9.075 11.055 1.00 0.00 H new ATOM 0 HA TYR A 14 15.991 -8.032 10.985 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.925 -8.789 8.871 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.564 -8.291 8.504 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.588 -10.965 10.259 1.00 0.00 H new ATOM 0 HD2 TYR A 14 17.382 -9.893 8.612 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.355 -13.290 10.491 1.00 0.00 H new ATOM 0 HE2 TYR A 14 18.130 -12.218 8.826 1.00 0.00 H new ATOM 0 HH TYR A 14 17.641 -14.268 9.442 1.00 0.00 H new ATOM 93 N ILE A 15 15.562 -5.610 10.694 1.00 0.00 N ATOM 94 CA ILE A 15 15.377 -4.171 10.585 1.00 0.00 C ATOM 95 C ILE A 15 16.328 -3.591 9.539 1.00 0.00 C ATOM 96 O ILE A 15 17.515 -3.943 9.515 1.00 0.00 O ATOM 97 CB ILE A 15 15.672 -3.495 11.958 1.00 0.00 C ATOM 98 CG1 ILE A 15 14.881 -4.238 13.075 1.00 0.00 C ATOM 99 CG2 ILE A 15 15.348 -1.977 11.930 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.071 -3.677 14.445 1.00 0.00 C ATOM 0 H ILE A 15 16.446 -5.874 11.128 1.00 0.00 H new ATOM 0 HA ILE A 15 14.346 -3.978 10.287 1.00 0.00 H new ATOM 0 HB ILE A 15 16.738 -3.574 12.172 1.00 0.00 H new ATOM 0 HG12 ILE A 15 13.819 -4.212 12.829 1.00 0.00 H new ATOM 0 HG13 ILE A 15 15.182 -5.286 13.080 1.00 0.00 H new ATOM 0 HG21 ILE A 15 15.566 -1.540 12.905 1.00 0.00 H new ATOM 0 HG22 ILE A 15 15.957 -1.489 11.169 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.293 -1.834 11.697 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.484 -4.255 15.159 1.00 0.00 H new ATOM 0 HD12 ILE A 15 16.126 -3.728 14.716 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.742 -2.638 14.462 1.00 0.00 H new ATOM 112 N CYS A 16 15.807 -2.727 8.664 1.00 0.00 N ATOM 113 CA CYS A 16 16.642 -1.785 7.911 1.00 0.00 C ATOM 114 C CYS A 16 16.930 -0.627 8.878 1.00 0.00 C ATOM 115 O CYS A 16 16.057 0.201 9.123 1.00 0.00 O ATOM 116 CB CYS A 16 15.912 -1.299 6.647 1.00 0.00 C ATOM 117 SG CYS A 16 16.953 -0.510 5.404 1.00 0.00 S ATOM 0 H CYS A 16 14.810 -2.660 8.459 1.00 0.00 H new ATOM 0 HA CYS A 16 17.566 -2.247 7.564 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.411 -2.151 6.188 1.00 0.00 H new ATOM 0 HB3 CYS A 16 15.135 -0.595 6.945 1.00 0.00 H new ATOM 0 HG CYS A 16 16.544 0.708 5.204 1.00 0.00 H new ATOM 122 N GLU A 17 18.141 -0.607 9.433 1.00 0.00 N ATOM 123 CA GLU A 17 18.534 0.265 10.569 1.00 0.00 C ATOM 124 C GLU A 17 18.337 1.778 10.265 1.00 0.00 C ATOM 125 O GLU A 17 18.320 2.611 11.181 1.00 0.00 O ATOM 126 CB GLU A 17 20.022 -0.026 10.929 1.00 0.00 C ATOM 127 CG GLU A 17 20.534 0.674 12.204 1.00 0.00 C ATOM 128 CD GLU A 17 22.037 0.496 12.437 1.00 0.00 C ATOM 129 OE1 GLU A 17 22.833 1.173 11.747 1.00 0.00 O ATOM 130 OE2 GLU A 17 22.436 -0.314 13.302 1.00 0.00 O ATOM 0 H GLU A 17 18.901 -1.204 9.108 1.00 0.00 H new ATOM 0 HA GLU A 17 17.882 0.035 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 17 20.147 -1.102 11.049 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.649 0.277 10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 17 20.308 1.738 12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 17 19.992 0.284 13.066 1.00 0.00 H new ATOM 137 N TYR A 18 18.155 2.124 8.980 1.00 0.00 N ATOM 138 CA TYR A 18 18.140 3.518 8.522 1.00 0.00 C ATOM 139 C TYR A 18 16.717 3.950 8.170 1.00 0.00 C ATOM 140 O TYR A 18 16.308 5.078 8.471 1.00 0.00 O ATOM 141 CB TYR A 18 19.098 3.669 7.318 1.00 0.00 C ATOM 142 CG TYR A 18 20.553 3.435 7.723 1.00 0.00 C ATOM 143 CD1 TYR A 18 21.046 4.002 8.894 1.00 0.00 C ATOM 144 CD2 TYR A 18 21.400 2.612 6.992 1.00 0.00 C ATOM 145 CE1 TYR A 18 22.320 3.769 9.316 1.00 0.00 C ATOM 146 CE2 TYR A 18 22.689 2.363 7.420 1.00 0.00 C ATOM 147 CZ TYR A 18 23.142 2.942 8.586 1.00 0.00 C ATOM 148 OH TYR A 18 24.424 2.693 9.025 1.00 0.00 O ATOM 0 H TYR A 18 18.015 1.444 8.232 1.00 0.00 H new ATOM 0 HA TYR A 18 18.486 4.172 9.322 1.00 0.00 H new ATOM 0 HB2 TYR A 18 18.818 2.960 6.539 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.994 4.667 6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.404 4.641 9.482 1.00 0.00 H new ATOM 0 HD2 TYR A 18 21.046 2.161 6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 18 22.684 4.232 10.221 1.00 0.00 H new ATOM 0 HE2 TYR A 18 23.338 1.719 6.845 1.00 0.00 H new ATOM 0 HH TYR A 18 24.873 2.089 8.398 1.00 0.00 H new ATOM 158 N CYS A 19 15.970 3.034 7.529 1.00 0.00 N ATOM 159 CA CYS A 19 14.587 3.290 7.092 1.00 0.00 C ATOM 160 C CYS A 19 13.678 2.058 7.271 1.00 0.00 C ATOM 161 O CYS A 19 12.952 1.678 6.349 1.00 0.00 O ATOM 162 CB CYS A 19 14.616 3.805 5.624 1.00 0.00 C ATOM 163 SG CYS A 19 15.969 3.121 4.614 1.00 0.00 S ATOM 0 H CYS A 19 16.307 2.099 7.300 1.00 0.00 H new ATOM 0 HA CYS A 19 14.147 4.059 7.727 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.666 3.563 5.148 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.700 4.892 5.634 1.00 0.00 H new ATOM 0 HG CYS A 19 15.903 3.610 3.411 1.00 0.00 H new ATOM 168 N ALA A 20 13.713 1.433 8.470 1.00 0.00 N ATOM 169 CA ALA A 20 12.663 0.484 8.887 1.00 0.00 C ATOM 170 C ALA A 20 12.550 0.360 10.412 1.00 0.00 C ATOM 171 O ALA A 20 13.530 0.515 11.139 1.00 0.00 O ATOM 172 CB ALA A 20 12.872 -0.907 8.277 1.00 0.00 C ATOM 0 H ALA A 20 14.452 1.569 9.159 1.00 0.00 H new ATOM 0 HA ALA A 20 11.729 0.900 8.509 1.00 0.00 H new ATOM 0 HB1 ALA A 20 12.077 -1.574 8.610 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.853 -0.834 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.836 -1.304 8.597 1.00 0.00 H new ATOM 178 N ARG A 21 11.310 0.104 10.853 1.00 0.00 N ATOM 179 CA ARG A 21 10.998 -0.288 12.242 1.00 0.00 C ATOM 180 C ARG A 21 11.475 -1.743 12.526 1.00 0.00 C ATOM 181 O ARG A 21 12.450 -1.926 13.254 1.00 0.00 O ATOM 182 CB ARG A 21 9.480 -0.049 12.546 1.00 0.00 C ATOM 183 CG ARG A 21 8.508 -0.449 11.411 1.00 0.00 C ATOM 184 CD ARG A 21 7.055 -0.060 11.707 1.00 0.00 C ATOM 185 NE ARG A 21 6.924 1.377 11.987 1.00 0.00 N ATOM 186 CZ ARG A 21 5.888 1.947 12.606 1.00 0.00 C ATOM 187 NH1 ARG A 21 4.856 1.226 13.015 1.00 0.00 N ATOM 188 NH2 ARG A 21 5.903 3.246 12.824 1.00 0.00 N ATOM 0 H ARG A 21 10.487 0.163 10.254 1.00 0.00 H new ATOM 0 HA ARG A 21 11.552 0.346 12.935 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.214 -0.607 13.444 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.333 1.007 12.772 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.825 0.027 10.483 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.566 -1.526 11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.427 -0.324 10.856 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.692 -0.632 12.561 1.00 0.00 H new ATOM 0 HE ARG A 21 7.684 1.986 11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.844 0.218 12.859 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.073 1.678 13.486 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.701 3.805 12.521 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.117 3.693 13.296 1.00 0.00 H new ATOM 202 N ALA A 22 10.782 -2.767 11.966 1.00 0.00 N ATOM 203 CA ALA A 22 11.213 -4.189 12.006 1.00 0.00 C ATOM 204 C ALA A 22 10.312 -5.028 11.092 1.00 0.00 C ATOM 205 O ALA A 22 9.164 -4.647 10.841 1.00 0.00 O ATOM 206 CB ALA A 22 11.146 -4.741 13.444 1.00 0.00 C ATOM 0 H ALA A 22 9.902 -2.628 11.470 1.00 0.00 H new ATOM 0 HA ALA A 22 12.245 -4.247 11.659 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.466 -5.783 13.449 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.802 -4.157 14.089 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.122 -4.674 13.812 1.00 0.00 H new ATOM 212 N PHE A 23 10.829 -6.163 10.596 1.00 0.00 N ATOM 213 CA PHE A 23 10.060 -7.118 9.772 1.00 0.00 C ATOM 214 C PHE A 23 10.270 -8.531 10.308 1.00 0.00 C ATOM 215 O PHE A 23 11.376 -8.872 10.695 1.00 0.00 O ATOM 216 CB PHE A 23 10.519 -7.048 8.302 1.00 0.00 C ATOM 217 CG PHE A 23 10.248 -5.710 7.617 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.003 -5.426 7.058 1.00 0.00 C ATOM 219 CD2 PHE A 23 11.246 -4.742 7.520 1.00 0.00 C ATOM 220 CE1 PHE A 23 8.769 -4.218 6.426 1.00 0.00 C ATOM 221 CE2 PHE A 23 11.013 -3.549 6.887 1.00 0.00 C ATOM 222 CZ PHE A 23 9.775 -3.282 6.340 1.00 0.00 C ATOM 0 H PHE A 23 11.795 -6.448 10.754 1.00 0.00 H new ATOM 0 HA PHE A 23 9.002 -6.859 9.821 1.00 0.00 H new ATOM 0 HB2 PHE A 23 11.588 -7.254 8.258 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.019 -7.837 7.740 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.211 -6.158 7.119 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.218 -4.935 7.950 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.798 -4.009 6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 23 11.802 -2.815 6.816 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.595 -2.339 5.845 1.00 0.00 H new ATOM 232 N LYS A 24 9.224 -9.370 10.279 1.00 0.00 N ATOM 233 CA LYS A 24 9.282 -10.724 10.858 1.00 0.00 C ATOM 234 C LYS A 24 10.145 -11.693 10.023 1.00 0.00 C ATOM 235 O LYS A 24 10.396 -12.814 10.457 1.00 0.00 O ATOM 236 CB LYS A 24 7.855 -11.296 11.077 1.00 0.00 C ATOM 237 CG LYS A 24 7.080 -11.672 9.792 1.00 0.00 C ATOM 238 CD LYS A 24 5.635 -12.161 10.084 1.00 0.00 C ATOM 239 CE LYS A 24 5.571 -13.351 11.066 1.00 0.00 C ATOM 240 NZ LYS A 24 6.314 -14.541 10.572 1.00 0.00 N ATOM 0 H LYS A 24 8.324 -9.135 9.860 1.00 0.00 H new ATOM 0 HA LYS A 24 9.770 -10.629 11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.931 -12.183 11.706 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.270 -10.562 11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.039 -10.806 9.131 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.623 -12.454 9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.056 -11.333 10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.161 -12.449 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.981 -13.045 12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.529 -13.622 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.239 -15.310 11.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.908 -14.852 9.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.315 -14.293 10.436 1.00 0.00 H new ATOM 254 N SER A 25 10.593 -11.259 8.827 1.00 0.00 N ATOM 255 CA SER A 25 11.461 -12.065 7.948 1.00 0.00 C ATOM 256 C SER A 25 12.384 -11.143 7.106 1.00 0.00 C ATOM 257 O SER A 25 12.054 -9.977 6.870 1.00 0.00 O ATOM 258 CB SER A 25 10.602 -12.955 7.018 1.00 0.00 C ATOM 259 OG SER A 25 9.784 -13.849 7.758 1.00 0.00 O ATOM 0 H SER A 25 10.363 -10.342 8.445 1.00 0.00 H new ATOM 0 HA SER A 25 12.085 -12.707 8.570 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.975 -12.324 6.388 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.253 -13.523 6.353 1.00 0.00 H new ATOM 0 HG SER A 25 9.254 -14.395 7.140 1.00 0.00 H new ATOM 265 N SER A 26 13.556 -11.677 6.715 1.00 0.00 N ATOM 266 CA SER A 26 14.511 -10.993 5.803 1.00 0.00 C ATOM 267 C SER A 26 13.883 -10.720 4.417 1.00 0.00 C ATOM 268 O SER A 26 14.192 -9.708 3.779 1.00 0.00 O ATOM 269 CB SER A 26 15.806 -11.826 5.650 1.00 0.00 C ATOM 270 OG SER A 26 16.828 -11.098 4.990 1.00 0.00 O ATOM 0 H SER A 26 13.874 -12.597 7.020 1.00 0.00 H new ATOM 0 HA SER A 26 14.759 -10.031 6.251 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.158 -12.134 6.635 1.00 0.00 H new ATOM 0 HB3 SER A 26 15.589 -12.736 5.090 1.00 0.00 H new ATOM 0 HG SER A 26 17.630 -11.656 4.913 1.00 0.00 H new ATOM 276 N HIS A 27 13.013 -11.639 3.957 1.00 0.00 N ATOM 277 CA HIS A 27 12.270 -11.474 2.687 1.00 0.00 C ATOM 278 C HIS A 27 11.154 -10.416 2.838 1.00 0.00 C ATOM 279 O HIS A 27 10.868 -9.662 1.899 1.00 0.00 O ATOM 280 CB HIS A 27 11.693 -12.820 2.197 1.00 0.00 C ATOM 281 CG HIS A 27 11.110 -12.760 0.807 1.00 0.00 C ATOM 282 ND1 HIS A 27 11.844 -13.043 -0.324 1.00 0.00 N ATOM 283 CD2 HIS A 27 9.875 -12.408 0.365 1.00 0.00 C ATOM 284 CE1 HIS A 27 11.094 -12.862 -1.389 1.00 0.00 C ATOM 285 NE2 HIS A 27 9.897 -12.475 -1.000 1.00 0.00 N ATOM 0 H HIS A 27 12.805 -12.509 4.447 1.00 0.00 H new ATOM 0 HA HIS A 27 12.973 -11.121 1.932 1.00 0.00 H new ATOM 0 HB2 HIS A 27 12.481 -13.572 2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.920 -13.148 2.892 1.00 0.00 H new ATOM 0 HD2 HIS A 27 9.032 -12.127 0.978 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.408 -13.007 -2.412 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.114 -12.260 -1.617 1.00 0.00 H new ATOM 294 N ASN A 28 10.510 -10.406 4.014 1.00 0.00 N ATOM 295 CA ASN A 28 9.507 -9.379 4.391 1.00 0.00 C ATOM 296 C ASN A 28 10.133 -7.972 4.294 1.00 0.00 C ATOM 297 O ASN A 28 9.545 -7.035 3.764 1.00 0.00 O ATOM 298 CB ASN A 28 9.031 -9.651 5.838 1.00 0.00 C ATOM 299 CG ASN A 28 7.821 -8.822 6.307 1.00 0.00 C ATOM 300 OD1 ASN A 28 7.697 -8.525 7.495 1.00 0.00 O ATOM 301 ND2 ASN A 28 6.911 -8.467 5.402 1.00 0.00 N ATOM 0 H ASN A 28 10.665 -11.108 4.738 1.00 0.00 H new ATOM 0 HA ASN A 28 8.656 -9.427 3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.781 -10.708 5.926 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.863 -9.463 6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.088 -7.937 5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.037 -8.725 4.423 1.00 0.00 H new ATOM 308 N LEU A 29 11.330 -7.866 4.863 1.00 0.00 N ATOM 309 CA LEU A 29 12.201 -6.694 4.750 1.00 0.00 C ATOM 310 C LEU A 29 12.634 -6.419 3.305 1.00 0.00 C ATOM 311 O LEU A 29 12.690 -5.265 2.923 1.00 0.00 O ATOM 312 CB LEU A 29 13.405 -6.854 5.735 1.00 0.00 C ATOM 313 CG LEU A 29 14.794 -6.234 5.336 1.00 0.00 C ATOM 314 CD1 LEU A 29 14.766 -4.690 5.395 1.00 0.00 C ATOM 315 CD2 LEU A 29 15.922 -6.796 6.217 1.00 0.00 C ATOM 0 H LEU A 29 11.734 -8.611 5.431 1.00 0.00 H new ATOM 0 HA LEU A 29 11.639 -5.806 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.111 -6.419 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.555 -7.920 5.903 1.00 0.00 H new ATOM 0 HG LEU A 29 14.994 -6.520 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 29 15.743 -4.297 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.011 -4.313 4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.525 -4.369 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 29 16.872 -6.351 5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 29 15.721 -6.558 7.262 1.00 0.00 H new ATOM 0 HD23 LEU A 29 15.974 -7.878 6.095 1.00 0.00 H new ATOM 327 N ALA A 30 12.928 -7.473 2.522 1.00 0.00 N ATOM 328 CA ALA A 30 13.290 -7.357 1.077 1.00 0.00 C ATOM 329 C ALA A 30 12.227 -6.580 0.260 1.00 0.00 C ATOM 330 O ALA A 30 12.553 -5.936 -0.742 1.00 0.00 O ATOM 331 CB ALA A 30 13.540 -8.741 0.452 1.00 0.00 C ATOM 0 H ALA A 30 12.924 -8.434 2.863 1.00 0.00 H new ATOM 0 HA ALA A 30 14.215 -6.782 1.036 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.801 -8.623 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 30 14.358 -9.235 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.638 -9.347 0.536 1.00 0.00 H new ATOM 337 N VAL A 31 10.966 -6.645 0.724 1.00 0.00 N ATOM 338 CA VAL A 31 9.823 -5.905 0.134 1.00 0.00 C ATOM 339 C VAL A 31 10.022 -4.367 0.263 1.00 0.00 C ATOM 340 O VAL A 31 9.769 -3.610 -0.687 1.00 0.00 O ATOM 341 CB VAL A 31 8.487 -6.365 0.819 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.250 -5.597 0.302 1.00 0.00 C ATOM 343 CG2 VAL A 31 8.293 -7.892 0.655 1.00 0.00 C ATOM 0 H VAL A 31 10.704 -7.217 1.527 1.00 0.00 H new ATOM 0 HA VAL A 31 9.768 -6.133 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 31 8.578 -6.128 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.357 -5.959 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.374 -4.532 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.145 -5.757 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.362 -8.194 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.252 -8.142 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.128 -8.417 1.119 1.00 0.00 H new ATOM 353 N HIS A 32 10.474 -3.923 1.453 1.00 0.00 N ATOM 354 CA HIS A 32 10.914 -2.525 1.680 1.00 0.00 C ATOM 355 C HIS A 32 12.232 -2.257 0.954 1.00 0.00 C ATOM 356 O HIS A 32 12.411 -1.229 0.292 1.00 0.00 O ATOM 357 CB HIS A 32 11.087 -2.217 3.204 1.00 0.00 C ATOM 358 CG HIS A 32 12.009 -1.042 3.482 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.710 0.257 3.134 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.282 -1.017 3.956 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.783 1.010 3.384 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.773 0.296 3.892 1.00 0.00 N ATOM 0 H HIS A 32 10.545 -4.516 2.280 1.00 0.00 H new ATOM 0 HA HIS A 32 10.138 -1.871 1.283 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.109 -2.012 3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.479 -3.103 3.704 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.823 0.586 2.752 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.829 -1.872 4.324 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.836 2.072 3.195 1.00 0.00 H new ATOM 370 N ARG A 33 13.134 -3.221 1.090 1.00 0.00 N ATOM 371 CA ARG A 33 14.522 -3.144 0.646 1.00 0.00 C ATOM 372 C ARG A 33 14.614 -3.184 -0.883 1.00 0.00 C ATOM 373 O ARG A 33 15.689 -3.123 -1.418 1.00 0.00 O ATOM 374 CB ARG A 33 15.315 -4.302 1.309 1.00 0.00 C ATOM 375 CG ARG A 33 16.853 -4.204 1.273 1.00 0.00 C ATOM 376 CD ARG A 33 17.517 -5.449 1.895 1.00 0.00 C ATOM 377 NE ARG A 33 17.152 -6.698 1.197 1.00 0.00 N ATOM 378 CZ ARG A 33 17.140 -7.916 1.739 1.00 0.00 C ATOM 379 NH1 ARG A 33 17.438 -8.111 3.025 1.00 0.00 N ATOM 380 NH2 ARG A 33 16.820 -8.942 0.980 1.00 0.00 N ATOM 0 H ARG A 33 12.911 -4.114 1.530 1.00 0.00 H new ATOM 0 HA ARG A 33 14.960 -2.194 0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 33 15.004 -4.373 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 33 15.023 -5.234 0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 33 17.187 -4.090 0.242 1.00 0.00 H new ATOM 0 HG3 ARG A 33 17.174 -3.313 1.812 1.00 0.00 H new ATOM 0 HD2 ARG A 33 18.600 -5.328 1.872 1.00 0.00 H new ATOM 0 HD3 ARG A 33 17.227 -5.525 2.943 1.00 0.00 H new ATOM 0 HE ARG A 33 16.886 -6.622 0.215 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.682 -7.318 3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.421 -9.053 3.415 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.587 -8.797 -0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.804 -9.883 1.374 1.00 0.00 H new ATOM 394 N MET A 34 13.447 -3.187 -1.564 1.00 0.00 N ATOM 395 CA MET A 34 13.314 -3.032 -3.038 1.00 0.00 C ATOM 396 C MET A 34 14.198 -1.888 -3.643 1.00 0.00 C ATOM 397 O MET A 34 14.523 -1.900 -4.824 1.00 0.00 O ATOM 398 CB MET A 34 11.819 -2.741 -3.359 1.00 0.00 C ATOM 399 CG MET A 34 11.347 -1.311 -2.992 1.00 0.00 C ATOM 400 SD MET A 34 9.605 -1.013 -3.356 1.00 0.00 S ATOM 401 CE MET A 34 9.523 0.778 -3.266 1.00 0.00 C ATOM 0 H MET A 34 12.547 -3.300 -1.097 1.00 0.00 H new ATOM 0 HA MET A 34 13.664 -3.959 -3.492 1.00 0.00 H new ATOM 0 HB2 MET A 34 11.651 -2.903 -4.424 1.00 0.00 H new ATOM 0 HB3 MET A 34 11.199 -3.462 -2.826 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.522 -1.140 -1.930 1.00 0.00 H new ATOM 0 HG3 MET A 34 11.953 -0.586 -3.536 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.504 1.106 -3.470 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.818 1.106 -2.269 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.198 1.211 -4.004 1.00 0.00 H new ATOM 411 N ILE A 35 14.603 -0.955 -2.773 1.00 0.00 N ATOM 412 CA ILE A 35 15.443 0.182 -3.091 1.00 0.00 C ATOM 413 C ILE A 35 16.943 -0.247 -3.020 1.00 0.00 C ATOM 414 O ILE A 35 17.713 0.027 -3.947 1.00 0.00 O ATOM 415 CB ILE A 35 15.085 1.403 -2.130 1.00 0.00 C ATOM 416 CG1 ILE A 35 16.214 2.468 -2.067 1.00 0.00 C ATOM 417 CG2 ILE A 35 14.689 0.933 -0.708 1.00 0.00 C ATOM 418 CD1 ILE A 35 16.476 3.213 -3.364 1.00 0.00 C ATOM 0 H ILE A 35 14.337 -0.983 -1.789 1.00 0.00 H new ATOM 0 HA ILE A 35 15.260 0.526 -4.109 1.00 0.00 H new ATOM 0 HB ILE A 35 14.214 1.883 -2.576 1.00 0.00 H new ATOM 0 HG12 ILE A 35 15.963 3.195 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 35 17.137 1.978 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 35 14.454 1.800 -0.090 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.816 0.284 -0.769 1.00 0.00 H new ATOM 0 HG23 ILE A 35 15.518 0.384 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 35 17.281 3.933 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 35 16.764 2.503 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 35 15.572 3.739 -3.671 1.00 0.00 H new ATOM 430 N HIS A 36 17.345 -0.957 -1.937 1.00 0.00 N ATOM 431 CA HIS A 36 18.779 -1.299 -1.667 1.00 0.00 C ATOM 432 C HIS A 36 19.130 -2.759 -2.053 1.00 0.00 C ATOM 433 O HIS A 36 20.311 -3.108 -2.097 1.00 0.00 O ATOM 434 CB HIS A 36 19.153 -1.106 -0.144 1.00 0.00 C ATOM 435 CG HIS A 36 18.273 -0.172 0.648 1.00 0.00 C ATOM 436 ND1 HIS A 36 18.374 1.194 0.625 1.00 0.00 N ATOM 437 CD2 HIS A 36 17.281 -0.457 1.532 1.00 0.00 C ATOM 438 CE1 HIS A 36 17.470 1.686 1.477 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.774 0.721 2.058 1.00 0.00 N ATOM 0 H HIS A 36 16.700 -1.309 -1.230 1.00 0.00 H new ATOM 0 HA HIS A 36 19.353 -0.612 -2.289 1.00 0.00 H new ATOM 0 HB2 HIS A 36 19.136 -2.083 0.339 1.00 0.00 H new ATOM 0 HB3 HIS A 36 20.178 -0.740 -0.087 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.940 -1.450 1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 36 17.325 2.739 1.668 1.00 0.00 H new ATOM 0 HE2 HIS A 36 16.026 0.823 2.744 1.00 0.00 H new ATOM 447 N THR A 37 18.111 -3.594 -2.344 1.00 0.00 N ATOM 448 CA THR A 37 18.184 -5.070 -2.147 1.00 0.00 C ATOM 449 C THR A 37 19.297 -5.778 -2.950 1.00 0.00 C ATOM 450 O THR A 37 19.979 -6.655 -2.398 1.00 0.00 O ATOM 451 CB THR A 37 16.793 -5.776 -2.381 1.00 0.00 C ATOM 452 OG1 THR A 37 16.802 -7.075 -1.772 1.00 0.00 O ATOM 453 CG2 THR A 37 16.384 -5.898 -3.861 1.00 0.00 C ATOM 0 H THR A 37 17.218 -3.275 -2.720 1.00 0.00 H new ATOM 0 HA THR A 37 18.459 -5.180 -1.098 1.00 0.00 H new ATOM 0 HB THR A 37 16.047 -5.132 -1.916 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.431 -7.732 -2.397 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.416 -6.395 -3.931 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.314 -4.904 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.131 -6.482 -4.398 1.00 0.00 H new ATOM 461 N GLY A 38 19.489 -5.388 -4.225 1.00 0.00 N ATOM 462 CA GLY A 38 20.501 -6.024 -5.071 1.00 0.00 C ATOM 463 C GLY A 38 20.159 -7.474 -5.408 1.00 0.00 C ATOM 464 O GLY A 38 21.044 -8.331 -5.456 1.00 0.00 O ATOM 0 H GLY A 38 18.961 -4.644 -4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.606 -5.455 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.466 -5.991 -4.565 1.00 0.00 H new ATOM 468 N GLU A 39 18.867 -7.733 -5.670 1.00 0.00 N ATOM 469 CA GLU A 39 18.328 -9.103 -5.831 1.00 0.00 C ATOM 470 C GLU A 39 17.478 -9.133 -7.113 1.00 0.00 C ATOM 471 O GLU A 39 17.983 -9.514 -8.175 1.00 0.00 O ATOM 472 CB GLU A 39 17.487 -9.585 -4.601 1.00 0.00 C ATOM 473 CG GLU A 39 18.260 -9.686 -3.270 1.00 0.00 C ATOM 474 CD GLU A 39 17.454 -10.378 -2.143 1.00 0.00 C ATOM 475 OE1 GLU A 39 16.363 -9.884 -1.783 1.00 0.00 O ATOM 476 OE2 GLU A 39 17.901 -11.426 -1.627 1.00 0.00 O ATOM 0 H GLU A 39 18.163 -7.002 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 39 19.168 -9.795 -5.901 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.650 -8.901 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 39 17.065 -10.563 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU A 39 19.185 -10.238 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 39 18.540 -8.684 -2.944 1.00 0.00 H new ATOM 483 N LYS A 40 16.214 -8.643 -6.989 1.00 0.00 N ATOM 484 CA LYS A 40 15.172 -8.614 -8.050 1.00 0.00 C ATOM 485 C LYS A 40 13.778 -8.356 -7.395 1.00 0.00 C ATOM 486 O LYS A 40 13.141 -9.282 -6.894 1.00 0.00 O ATOM 487 CB LYS A 40 15.143 -9.893 -8.968 1.00 0.00 C ATOM 488 CG LYS A 40 15.029 -11.268 -8.255 1.00 0.00 C ATOM 489 CD LYS A 40 15.208 -12.453 -9.235 1.00 0.00 C ATOM 490 CE LYS A 40 16.578 -12.430 -9.957 1.00 0.00 C ATOM 491 NZ LYS A 40 16.705 -13.523 -10.942 1.00 0.00 N ATOM 0 H LYS A 40 15.881 -8.242 -6.112 1.00 0.00 H new ATOM 0 HA LYS A 40 15.430 -7.797 -8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.303 -9.797 -9.656 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.051 -9.898 -9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.782 -11.331 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.056 -11.344 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 40 15.106 -13.390 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.410 -12.429 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 40 16.706 -11.472 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.377 -12.512 -9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 17.637 -13.470 -11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.609 -14.439 -10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.959 -13.431 -11.661 1.00 0.00 H new ATOM 505 N PRO A 41 13.318 -7.064 -7.311 1.00 0.00 N ATOM 506 CA PRO A 41 11.962 -6.695 -6.840 1.00 0.00 C ATOM 507 C PRO A 41 10.999 -6.470 -8.034 1.00 0.00 C ATOM 508 O PRO A 41 11.219 -7.018 -9.116 1.00 0.00 O ATOM 509 CB PRO A 41 12.254 -5.384 -6.046 1.00 0.00 C ATOM 510 CG PRO A 41 13.621 -4.905 -6.514 1.00 0.00 C ATOM 511 CD PRO A 41 14.076 -5.838 -7.619 1.00 0.00 C ATOM 0 HA PRO A 41 11.464 -7.457 -6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.490 -4.632 -6.240 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.252 -5.570 -4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.564 -3.879 -6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 41 14.333 -4.912 -5.689 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.837 -5.447 -8.608 1.00 0.00 H new ATOM 0 HD3 PRO A 41 15.153 -6.006 -7.594 1.00 0.00 H new ATOM 519 N LEU A 42 9.934 -5.663 -7.842 1.00 0.00 N ATOM 520 CA LEU A 42 9.053 -5.254 -8.952 1.00 0.00 C ATOM 521 C LEU A 42 9.579 -3.922 -9.472 1.00 0.00 C ATOM 522 O LEU A 42 9.115 -2.848 -9.071 1.00 0.00 O ATOM 523 CB LEU A 42 7.569 -5.132 -8.514 1.00 0.00 C ATOM 524 CG LEU A 42 6.898 -6.449 -7.999 1.00 0.00 C ATOM 525 CD1 LEU A 42 5.398 -6.237 -7.696 1.00 0.00 C ATOM 526 CD2 LEU A 42 7.101 -7.617 -8.996 1.00 0.00 C ATOM 0 H LEU A 42 9.666 -5.285 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 42 9.068 -6.015 -9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.503 -4.382 -7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.990 -4.759 -9.359 1.00 0.00 H new ATOM 0 HG LEU A 42 7.392 -6.719 -7.066 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.963 -7.171 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.286 -5.470 -6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.885 -5.920 -8.604 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.622 -8.515 -8.606 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.657 -7.357 -9.957 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.167 -7.802 -9.128 1.00 0.00 H new ATOM 538 N GLN A 43 10.582 -3.995 -10.342 1.00 0.00 N ATOM 539 CA GLN A 43 11.331 -2.828 -10.797 1.00 0.00 C ATOM 540 C GLN A 43 11.178 -2.674 -12.308 1.00 0.00 C ATOM 541 O GLN A 43 11.256 -3.661 -13.057 1.00 0.00 O ATOM 542 CB GLN A 43 12.825 -2.981 -10.422 1.00 0.00 C ATOM 543 CG GLN A 43 13.727 -1.809 -10.873 1.00 0.00 C ATOM 544 CD GLN A 43 15.181 -1.970 -10.444 1.00 0.00 C ATOM 545 OE1 GLN A 43 15.677 -3.090 -10.296 1.00 0.00 O ATOM 546 NE2 GLN A 43 15.878 -0.861 -10.255 1.00 0.00 N ATOM 0 H GLN A 43 10.900 -4.872 -10.754 1.00 0.00 H new ATOM 0 HA GLN A 43 10.938 -1.936 -10.310 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.905 -3.088 -9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.204 -3.903 -10.862 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.683 -1.722 -11.959 1.00 0.00 H new ATOM 0 HG3 GLN A 43 13.335 -0.879 -10.463 1.00 0.00 H new ATOM 0 HE21 GLN A 43 15.435 0.048 -10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 43 16.858 -0.916 -9.978 1.00 0.00 H new ATOM 555 N CYS A 44 10.950 -1.433 -12.737 1.00 0.00 N ATOM 556 CA CYS A 44 10.979 -1.064 -14.141 1.00 0.00 C ATOM 557 C CYS A 44 12.425 -1.151 -14.656 1.00 0.00 C ATOM 558 O CYS A 44 13.260 -0.295 -14.335 1.00 0.00 O ATOM 559 CB CYS A 44 10.452 0.361 -14.344 1.00 0.00 C ATOM 560 SG CYS A 44 10.801 1.037 -15.996 1.00 0.00 S ATOM 0 H CYS A 44 10.739 -0.655 -12.112 1.00 0.00 H new ATOM 0 HA CYS A 44 10.339 -1.751 -14.695 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.375 0.368 -14.178 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.895 1.014 -13.592 1.00 0.00 H new ATOM 0 HG CYS A 44 10.363 2.259 -16.066 1.00 0.00 H new ATOM 565 N GLU A 45 12.703 -2.185 -15.460 1.00 0.00 N ATOM 566 CA GLU A 45 14.021 -2.429 -16.064 1.00 0.00 C ATOM 567 C GLU A 45 14.032 -1.782 -17.467 1.00 0.00 C ATOM 568 O GLU A 45 14.300 -2.417 -18.491 1.00 0.00 O ATOM 569 CB GLU A 45 14.293 -3.964 -16.088 1.00 0.00 C ATOM 570 CG GLU A 45 15.690 -4.397 -16.586 1.00 0.00 C ATOM 571 CD GLU A 45 16.840 -3.730 -15.823 1.00 0.00 C ATOM 572 OE1 GLU A 45 17.038 -4.045 -14.630 1.00 0.00 O ATOM 573 OE2 GLU A 45 17.557 -2.889 -16.412 1.00 0.00 O ATOM 0 H GLU A 45 12.008 -2.887 -15.714 1.00 0.00 H new ATOM 0 HA GLU A 45 14.827 -1.978 -15.486 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.152 -4.354 -15.080 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.541 -4.436 -16.720 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.782 -5.479 -16.494 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.780 -4.159 -17.646 1.00 0.00 H new ATOM 580 N ILE A 46 13.682 -0.483 -17.472 1.00 0.00 N ATOM 581 CA ILE A 46 13.538 0.372 -18.669 1.00 0.00 C ATOM 582 C ILE A 46 14.246 1.733 -18.407 1.00 0.00 C ATOM 583 O ILE A 46 14.478 2.529 -19.331 1.00 0.00 O ATOM 584 CB ILE A 46 12.011 0.628 -18.985 1.00 0.00 C ATOM 585 CG1 ILE A 46 11.247 -0.702 -19.259 1.00 0.00 C ATOM 586 CG2 ILE A 46 11.800 1.628 -20.142 1.00 0.00 C ATOM 587 CD1 ILE A 46 11.820 -1.539 -20.398 1.00 0.00 C ATOM 0 H ILE A 46 13.483 0.022 -16.608 1.00 0.00 H new ATOM 0 HA ILE A 46 13.992 -0.131 -19.523 1.00 0.00 H new ATOM 0 HB ILE A 46 11.591 1.083 -18.088 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.249 -1.301 -18.348 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.207 -0.468 -19.485 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.732 1.765 -20.314 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.251 2.586 -19.882 1.00 0.00 H new ATOM 0 HG23 ILE A 46 12.267 1.241 -21.047 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.226 -2.445 -20.518 1.00 0.00 H new ATOM 0 HD12 ILE A 46 11.793 -0.962 -21.323 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.851 -1.808 -20.169 1.00 0.00 H new ATOM 599 N CYS A 47 14.697 1.930 -17.155 1.00 0.00 N ATOM 600 CA CYS A 47 15.157 3.219 -16.653 1.00 0.00 C ATOM 601 C CYS A 47 15.591 2.915 -15.211 1.00 0.00 C ATOM 602 O CYS A 47 16.503 2.107 -15.001 1.00 0.00 O ATOM 603 CB CYS A 47 14.089 4.371 -16.824 1.00 0.00 C ATOM 604 SG CYS A 47 12.693 4.402 -15.639 1.00 0.00 S ATOM 0 H CYS A 47 14.749 1.183 -16.462 1.00 0.00 H new ATOM 0 HA CYS A 47 15.989 3.633 -17.223 1.00 0.00 H new ATOM 0 HB2 CYS A 47 14.609 5.326 -16.758 1.00 0.00 H new ATOM 0 HB3 CYS A 47 13.676 4.302 -17.830 1.00 0.00 H new ATOM 0 HG CYS A 47 12.039 3.281 -15.710 1.00 0.00 H new ATOM 609 N GLY A 48 14.962 3.523 -14.238 1.00 0.00 N ATOM 610 CA GLY A 48 14.987 3.056 -12.859 1.00 0.00 C ATOM 611 C GLY A 48 13.679 3.475 -12.196 1.00 0.00 C ATOM 612 O GLY A 48 13.294 4.633 -12.389 1.00 0.00 O ATOM 0 H GLY A 48 14.408 4.369 -14.374 1.00 0.00 H new ATOM 0 HA2 GLY A 48 15.101 1.973 -12.826 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.838 3.483 -12.327 1.00 0.00 H new ATOM 616 N PHE A 49 12.983 2.604 -11.433 1.00 0.00 N ATOM 617 CA PHE A 49 11.726 2.919 -10.751 1.00 0.00 C ATOM 618 C PHE A 49 11.369 1.603 -10.100 1.00 0.00 C ATOM 619 O PHE A 49 11.176 0.628 -10.819 1.00 0.00 O ATOM 620 CB PHE A 49 10.577 3.347 -11.715 1.00 0.00 C ATOM 621 CG PHE A 49 9.219 3.585 -11.026 1.00 0.00 C ATOM 622 CD1 PHE A 49 8.338 2.521 -10.791 1.00 0.00 C ATOM 623 CD2 PHE A 49 8.830 4.857 -10.616 1.00 0.00 C ATOM 624 CE1 PHE A 49 7.123 2.722 -10.167 1.00 0.00 C ATOM 625 CE2 PHE A 49 7.610 5.056 -9.989 1.00 0.00 C ATOM 626 CZ PHE A 49 6.759 3.987 -9.763 1.00 0.00 C ATOM 0 H PHE A 49 13.293 1.645 -11.276 1.00 0.00 H new ATOM 0 HA PHE A 49 11.845 3.763 -10.072 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.874 4.261 -12.230 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.454 2.577 -12.477 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.615 1.525 -11.104 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.486 5.698 -10.788 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.459 1.888 -9.996 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.322 6.049 -9.675 1.00 0.00 H new ATOM 0 HZ PHE A 49 5.811 4.145 -9.270 1.00 0.00 H new ATOM 636 N THR A 50 11.289 1.536 -8.785 1.00 0.00 N ATOM 637 CA THR A 50 11.024 0.281 -8.110 1.00 0.00 C ATOM 638 C THR A 50 9.802 0.418 -7.207 1.00 0.00 C ATOM 639 O THR A 50 9.520 1.493 -6.652 1.00 0.00 O ATOM 640 CB THR A 50 12.250 -0.192 -7.279 1.00 0.00 C ATOM 641 OG1 THR A 50 13.453 -0.039 -8.053 1.00 0.00 O ATOM 642 CG2 THR A 50 12.106 -1.662 -6.875 1.00 0.00 C ATOM 0 H THR A 50 11.404 2.336 -8.163 1.00 0.00 H new ATOM 0 HA THR A 50 10.827 -0.472 -8.873 1.00 0.00 H new ATOM 0 HB THR A 50 12.302 0.420 -6.378 1.00 0.00 H new ATOM 0 HG1 THR A 50 14.222 -0.337 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 50 12.977 -1.967 -6.295 1.00 0.00 H new ATOM 0 HG22 THR A 50 11.207 -1.787 -6.272 1.00 0.00 H new ATOM 0 HG23 THR A 50 12.032 -2.280 -7.770 1.00 0.00 H new ATOM 650 N CYS A 51 9.093 -0.685 -7.099 1.00 0.00 N ATOM 651 CA CYS A 51 7.931 -0.845 -6.239 1.00 0.00 C ATOM 652 C CYS A 51 7.829 -2.299 -5.759 1.00 0.00 C ATOM 653 O CYS A 51 8.661 -3.158 -6.096 1.00 0.00 O ATOM 654 CB CYS A 51 6.665 -0.404 -6.993 1.00 0.00 C ATOM 655 SG CYS A 51 6.434 -1.218 -8.586 1.00 0.00 S ATOM 0 H CYS A 51 9.315 -1.529 -7.626 1.00 0.00 H new ATOM 0 HA CYS A 51 8.035 -0.213 -5.357 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.795 -0.602 -6.367 1.00 0.00 H new ATOM 0 HB3 CYS A 51 6.706 0.674 -7.151 1.00 0.00 H new ATOM 0 HG CYS A 51 5.252 -1.758 -8.630 1.00 0.00 H new ATOM 661 N ARG A 52 6.806 -2.537 -4.952 1.00 0.00 N ATOM 662 CA ARG A 52 6.452 -3.853 -4.400 1.00 0.00 C ATOM 663 C ARG A 52 4.975 -4.133 -4.737 1.00 0.00 C ATOM 664 O ARG A 52 4.310 -4.960 -4.112 1.00 0.00 O ATOM 665 CB ARG A 52 6.684 -3.865 -2.857 1.00 0.00 C ATOM 666 CG ARG A 52 5.830 -2.855 -2.028 1.00 0.00 C ATOM 667 CD ARG A 52 6.311 -1.393 -2.139 1.00 0.00 C ATOM 668 NE ARG A 52 5.306 -0.424 -1.664 1.00 0.00 N ATOM 669 CZ ARG A 52 5.575 0.830 -1.267 1.00 0.00 C ATOM 670 NH1 ARG A 52 6.828 1.242 -1.095 1.00 0.00 N ATOM 671 NH2 ARG A 52 4.587 1.662 -0.996 1.00 0.00 N ATOM 0 H ARG A 52 6.172 -1.798 -4.648 1.00 0.00 H new ATOM 0 HA ARG A 52 7.080 -4.631 -4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.482 -4.870 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.738 -3.661 -2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.793 -2.913 -2.360 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.847 -3.154 -0.980 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.227 -1.272 -1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.558 -1.174 -3.178 1.00 0.00 H new ATOM 0 HE ARG A 52 4.333 -0.729 -1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.603 0.602 -1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.013 2.198 -0.793 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.620 1.352 -1.088 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.791 2.615 -0.694 1.00 0.00 H new ATOM 685 N GLN A 53 4.516 -3.450 -5.801 1.00 0.00 N ATOM 686 CA GLN A 53 3.099 -3.318 -6.176 1.00 0.00 C ATOM 687 C GLN A 53 3.009 -3.260 -7.709 1.00 0.00 C ATOM 688 O GLN A 53 3.578 -2.354 -8.324 1.00 0.00 O ATOM 689 CB GLN A 53 2.479 -2.036 -5.535 1.00 0.00 C ATOM 690 CG GLN A 53 2.394 -2.054 -3.993 1.00 0.00 C ATOM 691 CD GLN A 53 1.787 -0.784 -3.401 1.00 0.00 C ATOM 692 OE1 GLN A 53 2.499 0.169 -3.072 1.00 0.00 O ATOM 693 NE2 GLN A 53 0.470 -0.767 -3.263 1.00 0.00 N ATOM 0 H GLN A 53 5.141 -2.961 -6.442 1.00 0.00 H new ATOM 0 HA GLN A 53 2.534 -4.174 -5.806 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.070 -1.173 -5.841 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.476 -1.895 -5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.799 -2.912 -3.680 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.394 -2.194 -3.584 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -0.083 -1.576 -3.547 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.009 0.055 -2.873 1.00 0.00 H new ATOM 702 N LYS A 54 2.318 -4.250 -8.296 1.00 0.00 N ATOM 703 CA LYS A 54 2.190 -4.429 -9.757 1.00 0.00 C ATOM 704 C LYS A 54 1.670 -3.166 -10.479 1.00 0.00 C ATOM 705 O LYS A 54 2.231 -2.757 -11.487 1.00 0.00 O ATOM 706 CB LYS A 54 1.285 -5.661 -10.043 1.00 0.00 C ATOM 707 CG LYS A 54 -0.135 -5.616 -9.409 1.00 0.00 C ATOM 708 CD LYS A 54 -0.926 -6.958 -9.491 1.00 0.00 C ATOM 709 CE LYS A 54 -1.387 -7.344 -10.914 1.00 0.00 C ATOM 710 NZ LYS A 54 -0.275 -7.725 -11.818 1.00 0.00 N ATOM 0 H LYS A 54 1.822 -4.963 -7.761 1.00 0.00 H new ATOM 0 HA LYS A 54 3.187 -4.605 -10.162 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.178 -5.767 -11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.795 -6.555 -9.684 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.042 -5.328 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.715 -4.837 -9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.301 -7.758 -9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.801 -6.889 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.089 -8.175 -10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.928 -6.505 -11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.552 -8.556 -12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.060 -6.933 -12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.568 -7.954 -11.254 1.00 0.00 H new ATOM 724 N ALA A 55 0.599 -2.566 -9.936 1.00 0.00 N ATOM 725 CA ALA A 55 -0.038 -1.356 -10.508 1.00 0.00 C ATOM 726 C ALA A 55 0.931 -0.146 -10.605 1.00 0.00 C ATOM 727 O ALA A 55 0.824 0.663 -11.538 1.00 0.00 O ATOM 728 CB ALA A 55 -1.291 -0.987 -9.705 1.00 0.00 C ATOM 0 H ALA A 55 0.145 -2.902 -9.087 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.323 -1.602 -11.531 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.750 -0.097 -10.135 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.001 -1.813 -9.739 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.014 -0.788 -8.670 1.00 0.00 H new ATOM 734 N SER A 56 1.866 -0.042 -9.643 1.00 0.00 N ATOM 735 CA SER A 56 2.813 1.087 -9.562 1.00 0.00 C ATOM 736 C SER A 56 3.764 1.154 -10.789 1.00 0.00 C ATOM 737 O SER A 56 3.838 2.195 -11.453 1.00 0.00 O ATOM 738 CB SER A 56 3.613 1.005 -8.255 1.00 0.00 C ATOM 739 OG SER A 56 2.747 0.996 -7.134 1.00 0.00 O ATOM 0 H SER A 56 1.987 -0.734 -8.903 1.00 0.00 H new ATOM 0 HA SER A 56 2.229 2.007 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.225 0.103 -8.254 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.294 1.853 -8.187 1.00 0.00 H new ATOM 0 HG SER A 56 3.277 0.942 -6.312 1.00 0.00 H new ATOM 745 N LEU A 57 4.502 0.055 -11.086 1.00 0.00 N ATOM 746 CA LEU A 57 5.377 0.010 -12.273 1.00 0.00 C ATOM 747 C LEU A 57 4.560 -0.205 -13.565 1.00 0.00 C ATOM 748 O LEU A 57 5.035 0.139 -14.646 1.00 0.00 O ATOM 749 CB LEU A 57 6.547 -1.024 -12.147 1.00 0.00 C ATOM 750 CG LEU A 57 6.217 -2.550 -12.312 1.00 0.00 C ATOM 751 CD1 LEU A 57 7.510 -3.362 -12.541 1.00 0.00 C ATOM 752 CD2 LEU A 57 5.427 -3.110 -11.110 1.00 0.00 C ATOM 0 H LEU A 57 4.506 -0.797 -10.526 1.00 0.00 H new ATOM 0 HA LEU A 57 5.855 0.988 -12.334 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.300 -0.765 -12.891 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.006 -0.888 -11.168 1.00 0.00 H new ATOM 0 HG LEU A 57 5.578 -2.649 -13.189 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.262 -4.417 -12.653 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.007 -3.008 -13.444 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.176 -3.235 -11.687 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.222 -4.169 -11.270 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.014 -2.988 -10.200 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.486 -2.570 -11.010 1.00 0.00 H new ATOM 764 N ASN A 58 3.371 -0.843 -13.455 1.00 0.00 N ATOM 765 CA ASN A 58 2.415 -1.005 -14.587 1.00 0.00 C ATOM 766 C ASN A 58 2.010 0.325 -15.244 1.00 0.00 C ATOM 767 O ASN A 58 2.051 0.445 -16.472 1.00 0.00 O ATOM 768 CB ASN A 58 1.146 -1.769 -14.139 1.00 0.00 C ATOM 769 CG ASN A 58 0.141 -2.053 -15.265 1.00 0.00 C ATOM 770 OD1 ASN A 58 0.218 -3.082 -15.936 1.00 0.00 O ATOM 771 ND2 ASN A 58 -0.801 -1.143 -15.487 1.00 0.00 N ATOM 0 H ASN A 58 3.044 -1.260 -12.584 1.00 0.00 H new ATOM 0 HA ASN A 58 2.950 -1.585 -15.339 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.447 -2.716 -13.691 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.646 -1.192 -13.360 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.485 -1.288 -16.230 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.840 -0.300 -14.915 1.00 0.00 H new ATOM 778 N TRP A 59 1.600 1.327 -14.453 1.00 0.00 N ATOM 779 CA TRP A 59 1.145 2.606 -15.047 1.00 0.00 C ATOM 780 C TRP A 59 2.377 3.436 -15.438 1.00 0.00 C ATOM 781 O TRP A 59 2.327 4.236 -16.373 1.00 0.00 O ATOM 782 CB TRP A 59 0.170 3.392 -14.112 1.00 0.00 C ATOM 783 CG TRP A 59 0.810 4.273 -13.058 1.00 0.00 C ATOM 784 CD1 TRP A 59 1.264 3.903 -11.825 1.00 0.00 C ATOM 785 CD2 TRP A 59 1.040 5.688 -13.157 1.00 0.00 C ATOM 786 NE1 TRP A 59 1.771 4.991 -11.165 1.00 0.00 N ATOM 787 CE2 TRP A 59 1.639 6.100 -11.959 1.00 0.00 C ATOM 788 CE3 TRP A 59 0.790 6.642 -14.150 1.00 0.00 C ATOM 789 CZ2 TRP A 59 2.001 7.424 -11.723 1.00 0.00 C ATOM 790 CZ3 TRP A 59 1.145 7.956 -13.918 1.00 0.00 C ATOM 791 CH2 TRP A 59 1.748 8.337 -12.713 1.00 0.00 C ATOM 0 H TRP A 59 1.571 1.288 -13.434 1.00 0.00 H new ATOM 0 HA TRP A 59 0.562 2.390 -15.942 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -0.472 4.015 -14.734 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.476 2.672 -13.609 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.229 2.899 -11.428 1.00 0.00 H new ATOM 0 HE1 TRP A 59 2.181 4.978 -10.231 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.327 6.355 -15.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 2.464 7.720 -10.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 0.955 8.701 -14.677 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.019 9.371 -12.561 1.00 0.00 H new ATOM 802 N HIS A 60 3.452 3.300 -14.646 1.00 0.00 N ATOM 803 CA HIS A 60 4.789 3.789 -15.007 1.00 0.00 C ATOM 804 C HIS A 60 5.336 3.267 -16.382 1.00 0.00 C ATOM 805 O HIS A 60 6.059 4.006 -17.058 1.00 0.00 O ATOM 806 CB HIS A 60 5.764 3.453 -13.860 1.00 0.00 C ATOM 807 CG HIS A 60 7.160 3.861 -14.149 1.00 0.00 C ATOM 808 ND1 HIS A 60 7.588 5.158 -14.213 1.00 0.00 N ATOM 809 CD2 HIS A 60 8.201 3.106 -14.487 1.00 0.00 C ATOM 810 CE1 HIS A 60 8.860 5.138 -14.617 1.00 0.00 C ATOM 811 NE2 HIS A 60 9.281 3.904 -14.801 1.00 0.00 N ATOM 0 H HIS A 60 3.417 2.846 -13.734 1.00 0.00 H new ATOM 0 HA HIS A 60 4.703 4.867 -15.145 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.428 3.947 -12.948 1.00 0.00 H new ATOM 0 HB3 HIS A 60 5.737 2.380 -13.670 1.00 0.00 H new ATOM 0 HD1 HIS A 60 7.037 5.988 -13.993 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.201 2.026 -14.512 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.465 6.019 -14.773 1.00 0.00 H new ATOM 819 N MET A 61 5.103 1.996 -16.764 1.00 0.00 N ATOM 820 CA MET A 61 5.501 1.513 -18.121 1.00 0.00 C ATOM 821 C MET A 61 4.545 2.074 -19.188 1.00 0.00 C ATOM 822 O MET A 61 4.937 2.282 -20.330 1.00 0.00 O ATOM 823 CB MET A 61 5.668 -0.043 -18.198 1.00 0.00 C ATOM 824 CG MET A 61 4.420 -0.898 -17.941 1.00 0.00 C ATOM 825 SD MET A 61 3.184 -0.770 -19.252 1.00 0.00 S ATOM 826 CE MET A 61 1.898 -1.875 -18.659 1.00 0.00 C ATOM 0 H MET A 61 4.654 1.293 -16.177 1.00 0.00 H new ATOM 0 HA MET A 61 6.497 1.902 -18.332 1.00 0.00 H new ATOM 0 HB2 MET A 61 6.050 -0.293 -19.188 1.00 0.00 H new ATOM 0 HB3 MET A 61 6.432 -0.336 -17.478 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.718 -1.941 -17.833 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.969 -0.596 -16.996 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.930 -1.537 -19.028 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.092 -2.885 -19.020 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.891 -1.874 -17.569 1.00 0.00 H new ATOM 836 N LYS A 62 3.278 2.283 -18.791 1.00 0.00 N ATOM 837 CA LYS A 62 2.292 3.057 -19.582 1.00 0.00 C ATOM 838 C LYS A 62 2.751 4.533 -19.791 1.00 0.00 C ATOM 839 O LYS A 62 2.362 5.176 -20.762 1.00 0.00 O ATOM 840 CB LYS A 62 0.908 2.983 -18.882 1.00 0.00 C ATOM 841 CG LYS A 62 -0.267 3.594 -19.670 1.00 0.00 C ATOM 842 CD LYS A 62 -1.596 3.565 -18.875 1.00 0.00 C ATOM 843 CE LYS A 62 -1.590 4.482 -17.635 1.00 0.00 C ATOM 844 NZ LYS A 62 -1.463 5.909 -18.016 1.00 0.00 N ATOM 0 H LYS A 62 2.904 1.922 -17.913 1.00 0.00 H new ATOM 0 HA LYS A 62 2.212 2.617 -20.576 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.680 1.937 -18.676 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.980 3.489 -17.919 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.027 4.624 -19.932 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.395 3.049 -20.605 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.411 3.863 -19.534 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.799 2.542 -18.560 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.510 4.336 -17.069 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.764 4.204 -16.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.598 6.506 -17.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.517 6.079 -18.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.185 6.144 -18.727 1.00 0.00 H new ATOM 858 N LYS A 63 3.555 5.049 -18.837 1.00 0.00 N ATOM 859 CA LYS A 63 4.258 6.358 -18.982 1.00 0.00 C ATOM 860 C LYS A 63 5.271 6.314 -20.156 1.00 0.00 C ATOM 861 O LYS A 63 5.357 7.265 -20.951 1.00 0.00 O ATOM 862 CB LYS A 63 4.965 6.801 -17.664 1.00 0.00 C ATOM 863 CG LYS A 63 4.024 7.207 -16.491 1.00 0.00 C ATOM 864 CD LYS A 63 3.728 8.729 -16.420 1.00 0.00 C ATOM 865 CE LYS A 63 2.943 9.283 -17.624 1.00 0.00 C ATOM 866 NZ LYS A 63 2.679 10.734 -17.499 1.00 0.00 N ATOM 0 H LYS A 63 3.739 4.581 -17.950 1.00 0.00 H new ATOM 0 HA LYS A 63 3.495 7.104 -19.204 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.605 5.986 -17.326 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.617 7.645 -17.890 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.082 6.668 -16.591 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.475 6.890 -15.550 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.165 8.935 -15.509 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.673 9.267 -16.339 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.504 9.095 -18.539 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.997 8.750 -17.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.149 11.063 -18.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.121 10.913 -16.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.582 11.247 -17.438 1.00 0.00 H new ATOM 880 N HIS A 64 6.050 5.214 -20.237 1.00 0.00 N ATOM 881 CA HIS A 64 6.951 4.932 -21.391 1.00 0.00 C ATOM 882 C HIS A 64 6.139 4.669 -22.680 1.00 0.00 C ATOM 883 O HIS A 64 6.564 5.033 -23.782 1.00 0.00 O ATOM 884 CB HIS A 64 7.874 3.721 -21.084 1.00 0.00 C ATOM 885 CG HIS A 64 8.843 3.947 -19.957 1.00 0.00 C ATOM 886 ND1 HIS A 64 9.869 4.872 -20.002 1.00 0.00 N ATOM 887 CD2 HIS A 64 8.969 3.319 -18.759 1.00 0.00 C ATOM 888 CE1 HIS A 64 10.564 4.776 -18.864 1.00 0.00 C ATOM 889 NE2 HIS A 64 10.064 3.849 -18.083 1.00 0.00 N ATOM 0 H HIS A 64 6.077 4.496 -19.513 1.00 0.00 H new ATOM 0 HA HIS A 64 7.572 5.814 -21.551 1.00 0.00 H new ATOM 0 HB2 HIS A 64 7.253 2.858 -20.845 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.435 3.470 -21.984 1.00 0.00 H new ATOM 0 HD1 HIS A 64 10.062 5.516 -20.769 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.324 2.535 -18.391 1.00 0.00 H new ATOM 0 HE1 HIS A 64 11.424 5.382 -18.620 1.00 0.00 H new ATOM 1020 N SER A 73 14.600 12.205 -19.471 1.00 0.00 N ATOM 1021 CA SER A 73 14.609 11.556 -18.173 1.00 0.00 C ATOM 1022 C SER A 73 16.044 11.176 -17.839 1.00 0.00 C ATOM 1023 O SER A 73 16.746 10.603 -18.680 1.00 0.00 O ATOM 1024 CB SER A 73 13.693 10.300 -18.144 1.00 0.00 C ATOM 1025 OG SER A 73 13.681 9.694 -16.858 1.00 0.00 O ATOM 0 HA SER A 73 14.215 12.248 -17.429 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.678 10.582 -18.424 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.039 9.579 -18.884 1.00 0.00 H new ATOM 0 HG SER A 73 13.095 8.909 -16.872 1.00 0.00 H new ATOM 1031 N CYS A 74 16.476 11.518 -16.636 1.00 0.00 N ATOM 1032 CA CYS A 74 17.697 10.960 -16.062 1.00 0.00 C ATOM 1033 C CYS A 74 17.409 9.506 -15.679 1.00 0.00 C ATOM 1034 O CYS A 74 16.472 9.240 -14.921 1.00 0.00 O ATOM 1035 CB CYS A 74 18.170 11.756 -14.835 1.00 0.00 C ATOM 1036 SG CYS A 74 19.531 10.976 -13.904 1.00 0.00 S ATOM 0 H CYS A 74 15.997 12.185 -16.031 1.00 0.00 H new ATOM 0 HA CYS A 74 18.500 11.016 -16.797 1.00 0.00 H new ATOM 0 HB2 CYS A 74 18.491 12.745 -15.161 1.00 0.00 H new ATOM 0 HB3 CYS A 74 17.324 11.901 -14.163 1.00 0.00 H new ATOM 0 HG CYS A 74 20.290 11.898 -13.391 1.00 0.00 H new ATOM 1041 N ASN A 75 18.191 8.587 -16.236 1.00 0.00 N ATOM 1042 CA ASN A 75 18.066 7.135 -15.996 1.00 0.00 C ATOM 1043 C ASN A 75 18.190 6.775 -14.500 1.00 0.00 C ATOM 1044 O ASN A 75 17.634 5.770 -14.044 1.00 0.00 O ATOM 1045 CB ASN A 75 19.139 6.384 -16.838 1.00 0.00 C ATOM 1046 CG ASN A 75 20.593 6.806 -16.547 1.00 0.00 C ATOM 1047 OD1 ASN A 75 20.891 7.970 -16.252 1.00 0.00 O ATOM 1048 ND2 ASN A 75 21.510 5.858 -16.638 1.00 0.00 N ATOM 0 H ASN A 75 18.946 8.824 -16.880 1.00 0.00 H new ATOM 0 HA ASN A 75 17.069 6.823 -16.306 1.00 0.00 H new ATOM 0 HB2 ASN A 75 19.042 5.314 -16.656 1.00 0.00 H new ATOM 0 HB3 ASN A 75 18.932 6.547 -17.896 1.00 0.00 H new ATOM 0 HD21 ASN A 75 22.490 6.078 -16.463 1.00 0.00 H new ATOM 0 HD22 ASN A 75 21.237 4.906 -16.883 1.00 0.00 H new ATOM 1055 N ILE A 76 18.916 7.624 -13.748 1.00 0.00 N ATOM 1056 CA ILE A 76 19.231 7.389 -12.338 1.00 0.00 C ATOM 1057 C ILE A 76 18.213 8.091 -11.402 1.00 0.00 C ATOM 1058 O ILE A 76 17.652 7.431 -10.525 1.00 0.00 O ATOM 1059 CB ILE A 76 20.717 7.826 -12.020 1.00 0.00 C ATOM 1060 CG1 ILE A 76 21.700 7.093 -13.010 1.00 0.00 C ATOM 1061 CG2 ILE A 76 21.098 7.562 -10.535 1.00 0.00 C ATOM 1062 CD1 ILE A 76 23.185 7.241 -12.718 1.00 0.00 C ATOM 0 H ILE A 76 19.300 8.497 -14.110 1.00 0.00 H new ATOM 0 HA ILE A 76 19.149 6.319 -12.147 1.00 0.00 H new ATOM 0 HB ILE A 76 20.801 8.903 -12.168 1.00 0.00 H new ATOM 0 HG12 ILE A 76 21.456 6.031 -13.011 1.00 0.00 H new ATOM 0 HG13 ILE A 76 21.511 7.464 -14.017 1.00 0.00 H new ATOM 0 HG21 ILE A 76 22.127 7.877 -10.362 1.00 0.00 H new ATOM 0 HG22 ILE A 76 20.431 8.126 -9.883 1.00 0.00 H new ATOM 0 HG23 ILE A 76 21.003 6.498 -10.319 1.00 0.00 H new ATOM 0 HD11 ILE A 76 23.759 6.694 -13.466 1.00 0.00 H new ATOM 0 HD12 ILE A 76 23.459 8.296 -12.750 1.00 0.00 H new ATOM 0 HD13 ILE A 76 23.403 6.840 -11.728 1.00 0.00 H new ATOM 1074 N CYS A 77 17.942 9.420 -11.579 1.00 0.00 N ATOM 1075 CA CYS A 77 17.101 10.178 -10.608 1.00 0.00 C ATOM 1076 C CYS A 77 15.961 10.955 -11.289 1.00 0.00 C ATOM 1077 O CYS A 77 15.311 11.773 -10.630 1.00 0.00 O ATOM 1078 CB CYS A 77 17.982 11.114 -9.723 1.00 0.00 C ATOM 1079 SG CYS A 77 18.673 12.590 -10.548 1.00 0.00 S ATOM 0 H CYS A 77 18.285 9.973 -12.364 1.00 0.00 H new ATOM 0 HA CYS A 77 16.624 9.443 -9.959 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.384 11.445 -8.874 1.00 0.00 H new ATOM 0 HB3 CYS A 77 18.809 10.528 -9.322 1.00 0.00 H new ATOM 0 HG CYS A 77 19.031 12.282 -11.759 1.00 0.00 H new ATOM 1084 N GLY A 78 15.714 10.681 -12.598 1.00 0.00 N ATOM 1085 CA GLY A 78 14.552 11.217 -13.333 1.00 0.00 C ATOM 1086 C GLY A 78 14.338 12.720 -13.178 1.00 0.00 C ATOM 1087 O GLY A 78 13.219 13.167 -12.959 1.00 0.00 O ATOM 0 H GLY A 78 16.316 10.084 -13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.672 10.988 -14.392 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.655 10.699 -12.994 1.00 0.00 H new ATOM 1091 N LYS A 79 15.441 13.478 -13.222 1.00 0.00 N ATOM 1092 CA LYS A 79 15.426 14.934 -13.042 1.00 0.00 C ATOM 1093 C LYS A 79 14.678 15.686 -14.193 1.00 0.00 C ATOM 1094 O LYS A 79 13.928 16.622 -13.907 1.00 0.00 O ATOM 1095 CB LYS A 79 16.901 15.402 -12.891 1.00 0.00 C ATOM 1096 CG LYS A 79 17.124 16.634 -11.993 1.00 0.00 C ATOM 1097 CD LYS A 79 16.655 17.968 -12.619 1.00 0.00 C ATOM 1098 CE LYS A 79 16.735 19.152 -11.640 1.00 0.00 C ATOM 1099 NZ LYS A 79 15.836 18.970 -10.465 1.00 0.00 N ATOM 0 H LYS A 79 16.373 13.096 -13.384 1.00 0.00 H new ATOM 0 HA LYS A 79 14.859 15.183 -12.145 1.00 0.00 H new ATOM 0 HB2 LYS A 79 17.486 14.574 -12.491 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.296 15.622 -13.883 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.597 16.483 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.185 16.710 -11.756 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.265 18.186 -13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.627 17.859 -12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.763 19.268 -11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.468 20.071 -12.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.765 19.865 -9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.891 18.684 -10.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.224 18.234 -9.842 1.00 0.00 H new ATOM 1113 N LYS A 80 14.890 15.264 -15.479 1.00 0.00 N ATOM 1114 CA LYS A 80 14.322 15.917 -16.696 1.00 0.00 C ATOM 1115 C LYS A 80 15.034 17.264 -16.980 1.00 0.00 C ATOM 1116 O LYS A 80 15.056 18.169 -16.132 1.00 0.00 O ATOM 1117 CB LYS A 80 12.765 16.127 -16.668 1.00 0.00 C ATOM 1118 CG LYS A 80 11.884 14.857 -16.819 1.00 0.00 C ATOM 1119 CD LYS A 80 11.768 14.023 -15.528 1.00 0.00 C ATOM 1120 CE LYS A 80 10.792 12.835 -15.646 1.00 0.00 C ATOM 1121 NZ LYS A 80 10.606 12.143 -14.339 1.00 0.00 N ATOM 0 H LYS A 80 15.467 14.452 -15.698 1.00 0.00 H new ATOM 0 HA LYS A 80 14.510 15.212 -17.506 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.504 16.611 -15.727 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.501 16.820 -17.467 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.885 15.155 -17.139 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.298 14.231 -17.609 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.755 13.646 -15.259 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.442 14.671 -14.715 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.828 13.191 -16.010 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.169 12.126 -16.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.571 11.115 -14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.401 12.372 -13.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.716 12.459 -13.903 1.00 0.00 H new ATOM 1135 N PHE A 81 15.624 17.362 -18.182 1.00 0.00 N ATOM 1136 CA PHE A 81 16.389 18.552 -18.645 1.00 0.00 C ATOM 1137 C PHE A 81 15.866 19.063 -19.995 1.00 0.00 C ATOM 1138 O PHE A 81 15.161 18.353 -20.694 1.00 0.00 O ATOM 1139 CB PHE A 81 17.889 18.188 -18.756 1.00 0.00 C ATOM 1140 CG PHE A 81 18.547 17.963 -17.405 1.00 0.00 C ATOM 1141 CD1 PHE A 81 18.434 16.743 -16.736 1.00 0.00 C ATOM 1142 CD2 PHE A 81 19.252 18.993 -16.785 1.00 0.00 C ATOM 1143 CE1 PHE A 81 19.006 16.571 -15.502 1.00 0.00 C ATOM 1144 CE2 PHE A 81 19.820 18.812 -15.551 1.00 0.00 C ATOM 1145 CZ PHE A 81 19.697 17.606 -14.911 1.00 0.00 C ATOM 0 H PHE A 81 15.588 16.614 -18.874 1.00 0.00 H new ATOM 0 HA PHE A 81 16.258 19.352 -17.916 1.00 0.00 H new ATOM 0 HB2 PHE A 81 17.995 17.287 -19.360 1.00 0.00 H new ATOM 0 HB3 PHE A 81 18.413 18.987 -19.281 1.00 0.00 H new ATOM 0 HD1 PHE A 81 17.892 15.929 -17.194 1.00 0.00 H new ATOM 0 HD2 PHE A 81 19.352 19.946 -17.283 1.00 0.00 H new ATOM 0 HE1 PHE A 81 18.915 15.623 -14.993 1.00 0.00 H new ATOM 0 HE2 PHE A 81 20.364 19.619 -15.083 1.00 0.00 H new ATOM 0 HZ PHE A 81 20.144 17.466 -13.938 1.00 0.00 H new ATOM 1155 N GLU A 82 16.220 20.316 -20.342 1.00 0.00 N ATOM 1156 CA GLU A 82 15.760 20.985 -21.582 1.00 0.00 C ATOM 1157 C GLU A 82 16.362 20.371 -22.867 1.00 0.00 C ATOM 1158 O GLU A 82 15.829 20.588 -23.963 1.00 0.00 O ATOM 1159 CB GLU A 82 16.061 22.506 -21.514 1.00 0.00 C ATOM 1160 CG GLU A 82 15.600 23.193 -20.207 1.00 0.00 C ATOM 1161 CD GLU A 82 14.147 22.858 -19.807 1.00 0.00 C ATOM 1162 OE1 GLU A 82 13.203 23.402 -20.423 1.00 0.00 O ATOM 1163 OE2 GLU A 82 13.944 22.031 -18.890 1.00 0.00 O ATOM 0 H GLU A 82 16.834 20.897 -19.771 1.00 0.00 H new ATOM 0 HA GLU A 82 14.683 20.826 -21.641 1.00 0.00 H new ATOM 0 HB2 GLU A 82 17.134 22.657 -21.630 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.577 22.997 -22.358 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.267 22.898 -19.397 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.696 24.273 -20.321 1.00 0.00 H new ATOM 1170 N LYS A 83 17.469 19.621 -22.731 1.00 0.00 N ATOM 1171 CA LYS A 83 18.078 18.897 -23.839 1.00 0.00 C ATOM 1172 C LYS A 83 18.701 17.617 -23.282 1.00 0.00 C ATOM 1173 O LYS A 83 19.128 17.572 -22.115 1.00 0.00 O ATOM 1174 CB LYS A 83 19.113 19.778 -24.598 1.00 0.00 C ATOM 1175 CG LYS A 83 20.288 20.288 -23.744 1.00 0.00 C ATOM 1176 CD LYS A 83 21.265 21.173 -24.547 1.00 0.00 C ATOM 1177 CE LYS A 83 22.505 21.592 -23.742 1.00 0.00 C ATOM 1178 NZ LYS A 83 22.167 22.440 -22.577 1.00 0.00 N ATOM 0 H LYS A 83 17.961 19.505 -21.845 1.00 0.00 H new ATOM 0 HA LYS A 83 17.320 18.636 -24.577 1.00 0.00 H new ATOM 0 HB2 LYS A 83 19.514 19.203 -25.433 1.00 0.00 H new ATOM 0 HB3 LYS A 83 18.593 20.637 -25.023 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.899 20.857 -22.900 1.00 0.00 H new ATOM 0 HG3 LYS A 83 20.830 19.436 -23.332 1.00 0.00 H new ATOM 0 HD2 LYS A 83 21.584 20.634 -25.439 1.00 0.00 H new ATOM 0 HD3 LYS A 83 20.741 22.067 -24.886 1.00 0.00 H new ATOM 0 HE2 LYS A 83 23.029 20.700 -23.398 1.00 0.00 H new ATOM 0 HE3 LYS A 83 23.191 22.133 -24.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 23.023 22.927 -22.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 21.455 23.145 -22.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 21.786 21.845 -21.814 1.00 0.00 H new ATOM 1192 N LYS A 84 18.715 16.572 -24.107 1.00 0.00 N ATOM 1193 CA LYS A 84 19.268 15.256 -23.738 1.00 0.00 C ATOM 1194 C LYS A 84 20.781 15.353 -23.482 1.00 0.00 C ATOM 1195 O LYS A 84 21.342 14.552 -22.734 1.00 0.00 O ATOM 1196 CB LYS A 84 18.950 14.224 -24.849 1.00 0.00 C ATOM 1197 CG LYS A 84 17.435 14.028 -25.118 1.00 0.00 C ATOM 1198 CD LYS A 84 17.132 12.970 -26.207 1.00 0.00 C ATOM 1199 CE LYS A 84 17.519 11.543 -25.783 1.00 0.00 C ATOM 1200 NZ LYS A 84 17.262 10.552 -26.855 1.00 0.00 N ATOM 0 H LYS A 84 18.343 16.607 -25.056 1.00 0.00 H new ATOM 0 HA LYS A 84 18.801 14.921 -22.812 1.00 0.00 H new ATOM 0 HB2 LYS A 84 19.434 14.541 -25.773 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.386 13.264 -24.573 1.00 0.00 H new ATOM 0 HG2 LYS A 84 16.945 13.733 -24.190 1.00 0.00 H new ATOM 0 HG3 LYS A 84 17.001 14.982 -25.419 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.069 12.996 -26.446 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.670 13.231 -27.119 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.575 11.519 -25.514 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.957 11.265 -24.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.537 9.605 -26.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.250 10.555 -27.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.818 10.800 -27.698 1.00 0.00 H new ATOM 1214 N ASP A 85 21.421 16.360 -24.105 1.00 0.00 N ATOM 1215 CA ASP A 85 22.837 16.689 -23.868 1.00 0.00 C ATOM 1216 C ASP A 85 23.067 17.081 -22.399 1.00 0.00 C ATOM 1217 O ASP A 85 24.077 16.695 -21.810 1.00 0.00 O ATOM 1218 CB ASP A 85 23.290 17.821 -24.824 1.00 0.00 C ATOM 1219 CG ASP A 85 24.780 18.189 -24.691 1.00 0.00 C ATOM 1220 OD1 ASP A 85 25.638 17.337 -25.023 1.00 0.00 O ATOM 1221 OD2 ASP A 85 25.105 19.320 -24.253 1.00 0.00 O ATOM 0 H ASP A 85 20.969 16.969 -24.788 1.00 0.00 H new ATOM 0 HA ASP A 85 23.440 15.804 -24.074 1.00 0.00 H new ATOM 0 HB2 ASP A 85 23.091 17.517 -25.852 1.00 0.00 H new ATOM 0 HB3 ASP A 85 22.688 18.709 -24.632 1.00 0.00 H new ATOM 1226 N SER A 86 22.098 17.814 -21.805 1.00 0.00 N ATOM 1227 CA SER A 86 22.149 18.204 -20.389 1.00 0.00 C ATOM 1228 C SER A 86 21.971 16.975 -19.466 1.00 0.00 C ATOM 1229 O SER A 86 22.500 16.960 -18.362 1.00 0.00 O ATOM 1230 CB SER A 86 21.084 19.267 -20.065 1.00 0.00 C ATOM 1231 OG SER A 86 21.309 20.478 -20.756 1.00 0.00 O ATOM 0 H SER A 86 21.267 18.147 -22.295 1.00 0.00 H new ATOM 0 HA SER A 86 23.133 18.636 -20.206 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.098 18.881 -20.324 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.080 19.459 -18.992 1.00 0.00 H new ATOM 0 HG SER A 86 20.831 21.205 -20.306 1.00 0.00 H new ATOM 1237 N VAL A 87 21.220 15.956 -19.937 1.00 0.00 N ATOM 1238 CA VAL A 87 20.896 14.742 -19.144 1.00 0.00 C ATOM 1239 C VAL A 87 22.152 13.851 -19.004 1.00 0.00 C ATOM 1240 O VAL A 87 22.474 13.351 -17.913 1.00 0.00 O ATOM 1241 CB VAL A 87 19.727 13.914 -19.810 1.00 0.00 C ATOM 1242 CG1 VAL A 87 19.410 12.627 -19.025 1.00 0.00 C ATOM 1243 CG2 VAL A 87 18.455 14.769 -19.990 1.00 0.00 C ATOM 0 H VAL A 87 20.820 15.948 -20.875 1.00 0.00 H new ATOM 0 HA VAL A 87 20.565 15.065 -18.157 1.00 0.00 H new ATOM 0 HB VAL A 87 20.079 13.619 -20.799 1.00 0.00 H new ATOM 0 HG11 VAL A 87 18.600 12.090 -19.519 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.297 11.994 -18.990 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.108 12.885 -18.010 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.673 14.165 -20.451 1.00 0.00 H new ATOM 0 HG22 VAL A 87 18.114 15.123 -19.017 1.00 0.00 H new ATOM 0 HG23 VAL A 87 18.678 15.623 -20.629 1.00 0.00 H new ATOM 1253 N VAL A 88 22.852 13.696 -20.138 1.00 0.00 N ATOM 1254 CA VAL A 88 24.076 12.879 -20.258 1.00 0.00 C ATOM 1255 C VAL A 88 25.233 13.593 -19.550 1.00 0.00 C ATOM 1256 O VAL A 88 26.045 12.954 -18.858 1.00 0.00 O ATOM 1257 CB VAL A 88 24.442 12.612 -21.768 1.00 0.00 C ATOM 1258 CG1 VAL A 88 25.732 11.766 -21.902 1.00 0.00 C ATOM 1259 CG2 VAL A 88 23.265 11.933 -22.505 1.00 0.00 C ATOM 0 H VAL A 88 22.581 14.142 -21.015 1.00 0.00 H new ATOM 0 HA VAL A 88 23.896 11.913 -19.787 1.00 0.00 H new ATOM 0 HB VAL A 88 24.632 13.578 -22.235 1.00 0.00 H new ATOM 0 HG11 VAL A 88 25.952 11.603 -22.957 1.00 0.00 H new ATOM 0 HG12 VAL A 88 26.564 12.294 -21.435 1.00 0.00 H new ATOM 0 HG13 VAL A 88 25.590 10.805 -21.408 1.00 0.00 H new ATOM 0 HG21 VAL A 88 23.539 11.758 -23.545 1.00 0.00 H new ATOM 0 HG22 VAL A 88 23.036 10.981 -22.025 1.00 0.00 H new ATOM 0 HG23 VAL A 88 22.389 12.580 -22.465 1.00 0.00 H new ATOM 1269 N ALA A 89 25.246 14.936 -19.685 1.00 0.00 N ATOM 1270 CA ALA A 89 26.236 15.795 -19.024 1.00 0.00 C ATOM 1271 C ALA A 89 26.036 15.737 -17.509 1.00 0.00 C ATOM 1272 O ALA A 89 26.998 15.719 -16.759 1.00 0.00 O ATOM 1273 CB ALA A 89 26.130 17.245 -19.519 1.00 0.00 C ATOM 0 H ALA A 89 24.571 15.448 -20.254 1.00 0.00 H new ATOM 0 HA ALA A 89 27.232 15.429 -19.273 1.00 0.00 H new ATOM 0 HB1 ALA A 89 26.875 17.858 -19.012 1.00 0.00 H new ATOM 0 HB2 ALA A 89 26.305 17.276 -20.594 1.00 0.00 H new ATOM 0 HB3 ALA A 89 25.134 17.632 -19.302 1.00 0.00 H new ATOM 1279 N HIS A 90 24.757 15.670 -17.098 1.00 0.00 N ATOM 1280 CA HIS A 90 24.344 15.592 -15.674 1.00 0.00 C ATOM 1281 C HIS A 90 24.672 14.220 -15.075 1.00 0.00 C ATOM 1282 O HIS A 90 24.897 14.107 -13.880 1.00 0.00 O ATOM 1283 CB HIS A 90 22.828 15.907 -15.546 1.00 0.00 C ATOM 1284 CG HIS A 90 22.108 15.323 -14.355 1.00 0.00 C ATOM 1285 ND1 HIS A 90 21.989 15.937 -13.133 1.00 0.00 N ATOM 1286 CD2 HIS A 90 21.429 14.161 -14.256 1.00 0.00 C ATOM 1287 CE1 HIS A 90 21.247 15.149 -12.353 1.00 0.00 C ATOM 1288 NE2 HIS A 90 20.879 14.053 -12.994 1.00 0.00 N ATOM 0 H HIS A 90 23.969 15.668 -17.746 1.00 0.00 H new ATOM 0 HA HIS A 90 24.906 16.336 -15.109 1.00 0.00 H new ATOM 0 HB2 HIS A 90 22.708 16.990 -15.518 1.00 0.00 H new ATOM 0 HB3 HIS A 90 22.331 15.554 -16.450 1.00 0.00 H new ATOM 0 HD1 HIS A 90 22.395 16.835 -12.869 1.00 0.00 H new ATOM 0 HD2 HIS A 90 21.331 13.428 -15.043 1.00 0.00 H new ATOM 0 HE1 HIS A 90 20.982 15.377 -11.331 1.00 0.00 H new ATOM 1296 N LYS A 91 24.629 13.167 -15.896 1.00 0.00 N ATOM 1297 CA LYS A 91 24.952 11.803 -15.439 1.00 0.00 C ATOM 1298 C LYS A 91 26.462 11.702 -15.188 1.00 0.00 C ATOM 1299 O LYS A 91 26.915 11.077 -14.232 1.00 0.00 O ATOM 1300 CB LYS A 91 24.500 10.751 -16.485 1.00 0.00 C ATOM 1301 CG LYS A 91 24.612 9.274 -16.023 1.00 0.00 C ATOM 1302 CD LYS A 91 24.545 8.261 -17.196 1.00 0.00 C ATOM 1303 CE LYS A 91 25.766 8.377 -18.140 1.00 0.00 C ATOM 1304 NZ LYS A 91 25.709 7.419 -19.270 1.00 0.00 N ATOM 0 H LYS A 91 24.374 13.228 -16.882 1.00 0.00 H new ATOM 0 HA LYS A 91 24.417 11.599 -14.512 1.00 0.00 H new ATOM 0 HB2 LYS A 91 23.464 10.953 -16.756 1.00 0.00 H new ATOM 0 HB3 LYS A 91 25.097 10.879 -17.388 1.00 0.00 H new ATOM 0 HG2 LYS A 91 25.551 9.138 -15.487 1.00 0.00 H new ATOM 0 HG3 LYS A 91 23.809 9.058 -15.319 1.00 0.00 H new ATOM 0 HD2 LYS A 91 24.492 7.248 -16.796 1.00 0.00 H new ATOM 0 HD3 LYS A 91 23.631 8.427 -17.766 1.00 0.00 H new ATOM 0 HE2 LYS A 91 25.821 9.392 -18.532 1.00 0.00 H new ATOM 0 HE3 LYS A 91 26.679 8.206 -17.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 26.550 7.540 -19.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 25.684 6.447 -18.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 24.853 7.597 -19.833 1.00 0.00 H new ATOM 1318 N ALA A 92 27.223 12.374 -16.062 1.00 0.00 N ATOM 1319 CA ALA A 92 28.676 12.478 -15.962 1.00 0.00 C ATOM 1320 C ALA A 92 29.100 13.436 -14.824 1.00 0.00 C ATOM 1321 O ALA A 92 30.175 13.285 -14.247 1.00 0.00 O ATOM 1322 CB ALA A 92 29.252 12.937 -17.314 1.00 0.00 C ATOM 0 H ALA A 92 26.837 12.866 -16.868 1.00 0.00 H new ATOM 0 HA ALA A 92 29.079 11.495 -15.717 1.00 0.00 H new ATOM 0 HB1 ALA A 92 30.337 13.015 -17.240 1.00 0.00 H new ATOM 0 HB2 ALA A 92 28.992 12.212 -18.085 1.00 0.00 H new ATOM 0 HB3 ALA A 92 28.836 13.910 -17.576 1.00 0.00 H new ATOM 1328 N LYS A 93 28.236 14.413 -14.504 1.00 0.00 N ATOM 1329 CA LYS A 93 28.520 15.478 -13.528 1.00 0.00 C ATOM 1330 C LYS A 93 28.128 15.047 -12.106 1.00 0.00 C ATOM 1331 O LYS A 93 28.945 15.091 -11.173 1.00 0.00 O ATOM 1332 CB LYS A 93 27.730 16.742 -13.970 1.00 0.00 C ATOM 1333 CG LYS A 93 27.711 17.920 -12.987 1.00 0.00 C ATOM 1334 CD LYS A 93 29.109 18.550 -12.735 1.00 0.00 C ATOM 1335 CE LYS A 93 29.025 19.849 -11.907 1.00 0.00 C ATOM 1336 NZ LYS A 93 28.422 19.626 -10.569 1.00 0.00 N ATOM 0 H LYS A 93 27.308 14.486 -14.921 1.00 0.00 H new ATOM 0 HA LYS A 93 29.589 15.691 -13.504 1.00 0.00 H new ATOM 0 HB2 LYS A 93 28.149 17.093 -14.913 1.00 0.00 H new ATOM 0 HB3 LYS A 93 26.699 16.447 -14.168 1.00 0.00 H new ATOM 0 HG2 LYS A 93 27.040 18.689 -13.369 1.00 0.00 H new ATOM 0 HG3 LYS A 93 27.299 17.581 -12.036 1.00 0.00 H new ATOM 0 HD2 LYS A 93 29.741 17.830 -12.215 1.00 0.00 H new ATOM 0 HD3 LYS A 93 29.587 18.762 -13.691 1.00 0.00 H new ATOM 0 HE2 LYS A 93 30.025 20.266 -11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 93 28.435 20.586 -12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 28.418 20.520 -10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 27.446 19.285 -10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 28.979 18.917 -10.051 1.00 0.00 H new ATOM 1350 N SER A 94 26.879 14.591 -11.972 1.00 0.00 N ATOM 1351 CA SER A 94 26.217 14.383 -10.685 1.00 0.00 C ATOM 1352 C SER A 94 26.309 12.911 -10.250 1.00 0.00 C ATOM 1353 O SER A 94 26.089 12.595 -9.075 1.00 0.00 O ATOM 1354 CB SER A 94 24.736 14.845 -10.794 1.00 0.00 C ATOM 1355 OG SER A 94 24.047 14.759 -9.562 1.00 0.00 O ATOM 0 H SER A 94 26.291 14.352 -12.771 1.00 0.00 H new ATOM 0 HA SER A 94 26.720 14.976 -9.921 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.706 15.874 -11.152 1.00 0.00 H new ATOM 0 HB3 SER A 94 24.223 14.234 -11.537 1.00 0.00 H new ATOM 0 HG SER A 94 23.123 15.061 -9.682 1.00 0.00 H new ATOM 1361 N HIS A 95 26.640 12.006 -11.207 1.00 0.00 N ATOM 1362 CA HIS A 95 26.719 10.549 -10.936 1.00 0.00 C ATOM 1363 C HIS A 95 28.000 9.878 -11.550 1.00 0.00 C ATOM 1364 O HIS A 95 27.909 8.712 -11.953 1.00 0.00 O ATOM 1365 CB HIS A 95 25.448 9.836 -11.511 1.00 0.00 C ATOM 1366 CG HIS A 95 24.107 10.468 -11.206 1.00 0.00 C ATOM 1367 ND1 HIS A 95 23.673 10.823 -9.948 1.00 0.00 N ATOM 1368 CD2 HIS A 95 23.079 10.756 -12.047 1.00 0.00 C ATOM 1369 CE1 HIS A 95 22.428 11.303 -10.067 1.00 0.00 C ATOM 1370 NE2 HIS A 95 22.021 11.279 -11.325 1.00 0.00 N ATOM 0 H HIS A 95 26.856 12.260 -12.171 1.00 0.00 H new ATOM 0 HA HIS A 95 26.776 10.434 -9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 95 25.555 9.775 -12.594 1.00 0.00 H new ATOM 0 HB3 HIS A 95 25.434 8.813 -11.134 1.00 0.00 H new ATOM 0 HD1 HIS A 95 24.204 10.736 -9.082 1.00 0.00 H new ATOM 0 HD2 HIS A 95 23.087 10.600 -13.116 1.00 0.00 H new ATOM 0 HE1 HIS A 95 21.833 11.664 -9.241 1.00 0.00 H new